NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
12273 | 1sq8 | 6084 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 0 H MET 0 -9.700 -6.651 7.815 2 HA MET 0 HA MET 0 -8.302 -5.446 10.115 3 1HB MET 0 1HB MET 0 -6.255 -5.380 8.740 4 2HB MET 0 2HB MET 0 -6.724 -7.013 9.171 5 1HG MET 0 1HG MET 0 -7.401 -5.772 6.494 6 2HG MET 0 2HG MET 0 -5.885 -6.608 6.801 7 1HE MET 0 1HE MET 0 -6.340 -8.155 4.689 8 2HE MET 0 2HE MET 0 -7.781 -9.178 4.505 9 3HE MET 0 3HE MET 0 -7.931 -7.415 4.387 10 H LEU 1 H LEU 1 -7.242 -3.335 9.403 11 HA LEU 1 HA LEU 1 -8.901 -1.859 7.414 12 1HB LEU 1 1HB LEU 1 -6.736 -0.799 9.255 13 2HB LEU 1 2HB LEU 1 -7.770 0.164 8.223 14 HG LEU 1 HG LEU 1 -8.763 -1.433 10.596 15 1HD1 LEU 1 1HD1 LEU 1 -8.339 1.559 10.185 16 2HD1 LEU 1 2HD1 LEU 1 -9.044 0.795 11.622 17 3HD1 LEU 1 3HD1 LEU 1 -7.358 0.484 11.208 18 1HD2 LEU 1 1HD2 LEU 1 -10.532 -1.222 8.886 19 2HD2 LEU 1 2HD2 LEU 1 -10.871 -0.161 10.253 20 3HD2 LEU 1 3HD2 LEU 1 -10.213 0.527 8.760 21 H MET 2 H MET 2 -7.367 -0.160 6.389 22 HA MET 2 HA MET 2 -5.984 -1.322 4.254 23 1HB MET 2 1HB MET 2 -6.475 1.381 5.367 24 2HB MET 2 2HB MET 2 -5.028 1.264 4.330 25 1HG MET 2 1HG MET 2 -6.349 0.191 2.608 26 2HG MET 2 2HG MET 2 -7.801 0.249 3.615 27 1HE MET 2 1HE MET 2 -4.989 3.049 2.603 28 2HE MET 2 2HE MET 2 -5.366 1.919 1.272 29 3HE MET 2 3HE MET 2 -5.859 3.618 1.163 30 H GLY 3 H GLY 3 -4.565 0.369 7.084 31 1HA GLY 3 1HA GLY 3 -1.910 0.202 6.296 32 2HA GLY 3 2HA GLY 3 -2.457 0.217 7.984 33 H GLU 4 H GLU 4 -3.691 -2.193 8.304 34 HA GLU 4 HA GLU 4 -1.544 -4.065 8.442 35 1HB GLU 4 1HB GLU 4 -4.414 -3.942 9.197 36 2HB GLU 4 2HB GLU 4 -3.873 -5.563 8.761 37 1HG GLU 4 1HG GLU 4 -2.333 -3.837 10.733 38 2HG GLU 4 2HG GLU 4 -3.662 -4.892 11.217 39 H ARG 5 H ARG 5 -4.273 -3.743 6.116 40 HA ARG 5 HA ARG 5 -3.811 -6.091 4.586 41 1HB ARG 5 1HB ARG 5 -5.085 -3.410 4.131 42 2HB ARG 5 2HB ARG 5 -4.436 -4.153 2.675 43 1HG ARG 5 1HG ARG 5 -5.714 -6.224 3.228 44 2HG ARG 5 2HG ARG 5 -6.477 -5.325 4.550 45 1HD ARG 5 1HD ARG 5 -6.515 -4.476 1.622 46 2HD ARG 5 2HD ARG 5 -7.778 -5.447 2.353 47 HE ARG 5 HE ARG 5 -7.629 -2.701 2.315 48 1HH1 ARG 5 2HH2 ARG 5 -8.561 -5.148 4.768 49 2HH1 ARG 5 1HH2 ARG 5 -9.338 -4.001 5.760 50 1HH2 ARG 5 2HH1 ARG 5 -9.005 -1.333 3.494 51 2HH2 ARG 5 1HH1 ARG 5 -9.855 -1.944 4.853 52 H ILE 6 H ILE 6 -2.406 -2.846 4.234 53 HA ILE 6 HA ILE 6 -0.820 -3.481 1.948 54 HB ILE 6 HB ILE 6 -0.848 -1.270 4.024 55 1HG1 ILE 6 1HG1 ILE 6 -1.446 -1.177 1.021 56 2HG1 ILE 6 2HG1 ILE 6 -2.676 -1.649 2.190 57 1HG2 ILE 6 1HG2 ILE 6 0.714 0.046 2.581 58 2HG2 ILE 6 2HG2 ILE 6 1.461 -1.347 3.340 59 3HG2 ILE 6 3HG2 ILE 6 1.018 -1.425 1.616 60 1HD1 ILE 6 1HD1 ILE 6 -2.411 0.524 3.369 61 2HD1 ILE 6 2HD1 ILE 6 -1.279 1.026 2.089 62 3HD1 ILE 6 3HD1 ILE 6 -2.971 0.668 1.690 63 H ARG 7 H ARG 7 -0.021 -3.312 5.454 64 HA ARG 7 HA ARG 7 2.698 -4.114 5.133 65 1HB ARG 7 1HB ARG 7 1.572 -3.178 7.210 66 2HB ARG 7 2HB ARG 7 0.876 -4.751 7.514 67 1HG ARG 7 1HG ARG 7 3.869 -4.576 7.112 68 2HG ARG 7 2HG ARG 7 3.180 -3.957 8.621 69 1HD ARG 7 1HD ARG 7 2.132 -6.065 9.127 70 2HD ARG 7 2HD ARG 7 2.599 -6.754 7.568 71 HE ARG 7 HE ARG 7 4.969 -5.909 8.815 72 1HH1 ARG 7 2HH2 ARG 7 2.463 -8.190 9.801 73 2HH1 ARG 7 1HH2 ARG 7 3.538 -9.513 10.053 74 1HH2 ARG 7 2HH1 ARG 7 6.386 -7.465 9.427 75 2HH2 ARG 7 1HH1 ARG 7 5.913 -9.079 9.884 76 H ALA 8 H ALA 8 -0.261 -6.048 5.609 77 HA ALA 8 HA ALA 8 0.894 -8.597 5.788 78 1HB ALA 8 1HB ALA 8 -1.493 -8.271 6.277 79 2HB ALA 8 2HB ALA 8 -1.810 -7.786 4.611 80 3HB ALA 8 3HB ALA 8 -1.314 -9.441 4.970 81 H ARG 9 H ARG 9 -0.588 -7.116 2.860 82 HA ARG 9 HA ARG 9 0.178 -9.252 1.176 83 1HB ARG 9 1HB ARG 9 -1.570 -7.269 0.959 84 2HB ARG 9 2HB ARG 9 -0.249 -6.442 0.181 85 1HG ARG 9 1HG ARG 9 -1.962 -8.724 -0.797 86 2HG ARG 9 2HG ARG 9 -1.469 -7.282 -1.586 87 1HD ARG 9 1HD ARG 9 0.897 -8.455 -1.586 88 2HD ARG 9 2HD ARG 9 -0.023 -9.903 -1.212 89 HE ARG 9 HE ARG 9 -0.739 -8.144 -3.496 90 1HH1 ARG 9 2HH2 ARG 9 0.098 -11.466 -2.414 91 2HH1 ARG 9 1HH2 ARG 9 0.684 -11.962 -3.962 92 1HH2 ARG 9 2HH1 ARG 9 -0.271 -9.002 -5.634 93 2HH2 ARG 9 1HH1 ARG 9 -0.058 -10.741 -5.813 94 H ARG 10 H ARG 10 1.907 -6.193 1.989 95 HA ARG 10 HA ARG 10 4.068 -6.471 0.157 96 1HB ARG 10 1HB ARG 10 3.562 -4.557 1.601 97 2HB ARG 10 2HB ARG 10 4.041 -5.425 3.027 98 1HG ARG 10 1HG ARG 10 6.283 -5.299 2.629 99 2HG ARG 10 2HG ARG 10 6.121 -5.265 0.867 100 1HD ARG 10 1HD ARG 10 6.861 -3.051 2.114 101 2HD ARG 10 2HD ARG 10 5.737 -3.007 0.784 102 HE ARG 10 HE ARG 10 4.063 -2.340 2.132 103 1HH1 ARG 10 2HH2 ARG 10 6.504 -3.741 4.458 104 2HH1 ARG 10 1HH2 ARG 10 5.623 -3.003 5.770 105 1HH2 ARG 10 2HH1 ARG 10 3.140 -1.414 3.955 106 2HH2 ARG 10 1HH1 ARG 10 3.848 -1.827 5.492 107 H ILE 11 H ILE 11 3.817 -7.577 3.489 108 HA ILE 11 HA ILE 11 6.296 -9.073 3.418 109 HB ILE 11 HB ILE 11 3.896 -9.157 5.259 110 1HG1 ILE 11 1HG1 ILE 11 5.176 -7.060 5.357 111 2HG1 ILE 11 2HG1 ILE 11 5.421 -7.977 6.824 112 1HG2 ILE 11 1HG2 ILE 11 4.838 -11.319 5.568 113 2HG2 ILE 11 2HG2 ILE 11 6.498 -10.698 5.598 114 3HG2 ILE 11 3HG2 ILE 11 5.373 -10.342 6.930 115 1HD1 ILE 11 1HD1 ILE 11 7.394 -7.636 4.529 116 2HD1 ILE 11 2HD1 ILE 11 7.519 -7.026 6.179 117 3HD1 ILE 11 3HD1 ILE 11 7.658 -8.762 5.879 118 H GLN 12 H GLN 12 2.978 -10.097 2.736 119 HA GLN 12 HA GLN 12 3.422 -12.818 2.113 120 1HB GLN 12 1HB GLN 12 1.304 -11.272 2.083 121 2HB GLN 12 2HB GLN 12 1.749 -10.954 0.409 122 1HG GLN 12 1HG GLN 12 1.587 -13.442 -0.004 123 2HG GLN 12 2HG GLN 12 0.914 -13.568 1.640 124 1HE2 GLN 12 1HE2 GLN 12 -0.992 -12.051 2.114 125 2HE2 GLN 12 2HE2 GLN 12 -1.941 -11.378 0.777 126 H LEU 13 H LEU 13 4.033 -9.923 0.214 127 HA LEU 13 HA LEU 13 5.083 -11.307 -2.126 128 1HB LEU 13 1HB LEU 13 3.721 -9.195 -2.122 129 2HB LEU 13 2HB LEU 13 5.050 -8.363 -1.325 130 HG LEU 13 HG LEU 13 6.467 -8.672 -3.315 131 1HD1 LEU 13 1HD1 LEU 13 5.303 -9.432 -5.431 132 2HD1 LEU 13 2HD1 LEU 13 5.649 -10.716 -4.277 133 3HD1 LEU 13 3HD1 LEU 13 3.995 -10.071 -4.417 134 1HD2 LEU 13 1HD2 LEU 13 4.999 -6.680 -3.016 135 2HD2 LEU 13 2HD2 LEU 13 5.240 -7.090 -4.721 136 3HD2 LEU 13 3HD2 LEU 13 3.714 -7.514 -3.924 137 H GLY 14 H GLY 14 6.284 -10.708 0.946 138 1HA GLY 14 1HA GLY 14 8.280 -10.713 1.966 139 2HA GLY 14 2HA GLY 14 8.965 -11.425 0.508 140 H LEU 15 H LEU 15 7.424 -8.272 0.210 141 HA LEU 15 HA LEU 15 10.099 -7.248 -0.646 142 1HB LEU 15 1HB LEU 15 7.178 -6.535 -1.106 143 2HB LEU 15 2HB LEU 15 8.304 -5.206 -1.015 144 HG LEU 15 HG LEU 15 8.225 -7.356 -3.088 145 1HD1 LEU 15 1HD1 LEU 15 6.904 -5.202 -3.306 146 2HD1 LEU 15 2HD1 LEU 15 8.480 -4.370 -3.424 147 3HD1 LEU 15 3HD1 LEU 15 8.017 -5.574 -4.633 148 1HD2 LEU 15 1HD2 LEU 15 10.622 -5.655 -2.465 149 2HD2 LEU 15 2HD2 LEU 15 10.521 -7.385 -2.771 150 3HD2 LEU 15 3HD2 LEU 15 10.291 -6.262 -4.105 151 H ASN 16 H ASN 16 10.649 -5.018 0.149 152 HA ASN 16 HA ASN 16 9.826 -4.599 3.012 153 1HB ASN 16 1HB ASN 16 12.232 -3.477 1.522 154 2HB ASN 16 2HB ASN 16 11.718 -3.009 3.127 155 1HD2 ASN 16 1HD2 ASN 16 13.914 -5.237 1.635 156 2HD2 ASN 16 2HD2 ASN 16 13.937 -6.326 2.988 157 H GLN 17 H GLN 17 9.680 -2.066 3.556 158 HA GLN 17 HA GLN 17 7.545 -1.035 1.970 159 1HB GLN 17 1HB GLN 17 9.418 0.412 3.894 160 2HB GLN 17 2HB GLN 17 8.009 1.122 3.135 161 1HG GLN 17 1HG GLN 17 6.554 -0.575 4.187 162 2HG GLN 17 2HG GLN 17 7.948 -1.273 5.015 163 1HE2 GLN 17 1HE2 GLN 17 6.394 -0.719 6.889 164 2HE2 GLN 17 2HE2 GLN 17 6.549 0.889 7.593 165 H ALA 18 H ALA 18 11.054 -0.078 2.032 166 HA ALA 18 HA ALA 18 10.757 1.974 0.144 167 1HB ALA 18 1HB ALA 18 12.749 1.686 1.586 168 2HB ALA 18 2HB ALA 18 13.183 0.203 0.696 169 3HB ALA 18 3HB ALA 18 13.193 1.774 -0.124 170 H GLU 19 H GLU 19 11.439 -1.528 -0.324 171 HA GLU 19 HA GLU 19 11.912 -1.306 -3.095 172 1HB GLU 19 1HB GLU 19 10.813 -3.634 -1.455 173 2HB GLU 19 2HB GLU 19 11.640 -3.772 -3.007 174 1HG GLU 19 1HG GLU 19 13.132 -2.518 -0.673 175 2HG GLU 19 2HG GLU 19 12.774 -4.211 -0.627 176 H LEU 20 H LEU 20 8.924 -2.192 -1.279 177 HA LEU 20 HA LEU 20 7.241 -2.553 -3.573 178 1HB LEU 20 1HB LEU 20 6.479 -3.168 -1.295 179 2HB LEU 20 2HB LEU 20 6.543 -1.473 -0.812 180 HG LEU 20 HG LEU 20 4.774 -0.943 -2.559 181 1HD1 LEU 20 1HD1 LEU 20 3.392 -2.808 -3.423 182 2HD1 LEU 20 2HD1 LEU 20 5.045 -2.915 -4.036 183 3HD1 LEU 20 3HD1 LEU 20 4.522 -3.987 -2.719 184 1HD2 LEU 20 1HD2 LEU 20 3.890 -2.980 -0.493 185 2HD2 LEU 20 2HD2 LEU 20 4.192 -1.243 -0.187 186 3HD2 LEU 20 3HD2 LEU 20 2.897 -1.743 -1.282 187 H ALA 21 H ALA 21 7.953 0.304 -1.571 188 HA ALA 21 HA ALA 21 6.351 2.161 -2.838 189 1HB ALA 21 1HB ALA 21 7.800 3.809 -1.845 190 2HB ALA 21 2HB ALA 21 7.624 2.483 -0.698 191 3HB ALA 21 3HB ALA 21 9.112 2.651 -1.624 192 H GLN 22 H GLN 22 9.819 1.426 -3.529 193 HA GLN 22 HA GLN 22 10.221 3.191 -5.640 194 1HB GLN 22 1HB GLN 22 11.962 1.945 -4.402 195 2HB GLN 22 2HB GLN 22 11.308 0.427 -5.020 196 1HG GLN 22 1HG GLN 22 11.890 1.423 -7.386 197 2HG GLN 22 2HG GLN 22 12.904 2.544 -6.472 198 1HE2 GLN 22 1HE2 GLN 22 14.371 1.225 -8.094 199 2HE2 GLN 22 2HE2 GLN 22 15.084 -0.266 -7.437 200 H LYS 23 H LYS 23 8.847 -0.174 -5.689 201 HA LYS 23 HA LYS 23 8.955 -0.194 -8.602 202 1HB LYS 23 1HB LYS 23 9.370 -2.270 -8.060 203 2HB LYS 23 2HB LYS 23 8.675 -2.165 -6.466 204 1HG LYS 23 1HG LYS 23 6.879 -2.522 -8.878 205 2HG LYS 23 2HG LYS 23 7.750 -3.856 -8.154 206 1HD LYS 23 1HD LYS 23 6.675 -3.652 -6.051 207 2HD LYS 23 2HD LYS 23 6.037 -2.049 -6.446 208 1HE LYS 23 1HE LYS 23 4.244 -3.645 -6.586 209 2HE LYS 23 2HE LYS 23 4.588 -2.986 -8.180 210 1HZ LYS 23 1HZ LYS 23 4.193 -5.368 -8.165 211 2HZ LYS 23 2HZ LYS 23 5.690 -5.038 -8.774 212 3HZ LYS 23 3HZ LYS 23 5.545 -5.643 -7.271 213 H VAL 24 H VAL 24 6.607 0.842 -6.234 214 HA VAL 24 HA VAL 24 4.469 1.022 -8.252 215 HB VAL 24 HB VAL 24 4.780 2.435 -5.563 216 1HG1 VAL 24 1HG1 VAL 24 3.138 3.504 -7.084 217 2HG1 VAL 24 2HG1 VAL 24 2.350 1.941 -7.338 218 3HG1 VAL 24 3HG1 VAL 24 2.322 2.717 -5.731 219 1HG2 VAL 24 1HG2 VAL 24 2.995 0.028 -6.050 220 2HG2 VAL 24 2HG2 VAL 24 4.610 -0.161 -5.402 221 3HG2 VAL 24 3HG2 VAL 24 3.433 0.793 -4.517 222 H GLY 25 H GLY 25 7.027 3.057 -6.787 223 1HA GLY 25 1HA GLY 25 8.102 4.699 -8.333 224 2HA GLY 25 2HA GLY 25 6.473 5.291 -8.674 225 H VAL 26 H VAL 26 6.102 4.492 -5.531 226 HA VAL 26 HA VAL 26 6.281 7.281 -4.734 227 HB VAL 26 HB VAL 26 4.797 6.625 -2.960 228 1HG1 VAL 26 1HG1 VAL 26 3.775 6.907 -5.191 229 2HG1 VAL 26 2HG1 VAL 26 3.979 5.174 -5.526 230 3HG1 VAL 26 3HG1 VAL 26 2.921 5.691 -4.225 231 1HG2 VAL 26 1HG2 VAL 26 3.963 4.361 -2.596 232 2HG2 VAL 26 2HG2 VAL 26 5.151 3.726 -3.753 233 3HG2 VAL 26 3HG2 VAL 26 5.677 4.485 -2.229 234 H ASP 27 H ASP 27 6.806 7.483 -2.121 235 HA ASP 27 HA ASP 27 9.587 6.634 -1.831 236 1HB ASP 27 1HB ASP 27 8.869 8.064 0.420 237 2HB ASP 27 2HB ASP 27 9.651 8.722 -1.012 238 H GLN 28 H GLN 28 10.250 5.566 0.094 239 HA GLN 28 HA GLN 28 8.760 3.412 1.132 240 1HB GLN 28 1HB GLN 28 11.237 3.802 1.369 241 2HB GLN 28 2HB GLN 28 10.887 5.154 2.436 242 1HG GLN 28 1HG GLN 28 9.646 3.314 3.918 243 2HG GLN 28 2HG GLN 28 10.666 2.208 3.001 244 1HE2 GLN 28 1HE2 GLN 28 10.593 3.914 5.863 245 2HE2 GLN 28 2HE2 GLN 28 12.336 4.175 6.038 246 H GLN 29 H GLN 29 9.089 6.765 2.284 247 HA GLN 29 HA GLN 29 7.871 6.425 4.745 248 1HB GLN 29 1HB GLN 29 9.142 8.517 3.441 249 2HB GLN 29 2HB GLN 29 7.481 9.120 3.521 250 1HG GLN 29 1HG GLN 29 7.425 8.615 5.962 251 2HG GLN 29 2HG GLN 29 9.073 7.989 5.872 252 1HE2 GLN 29 1HE2 GLN 29 10.811 9.598 5.076 253 2HE2 GLN 29 2HE2 GLN 29 10.546 11.294 5.513 254 H ALA 30 H ALA 30 6.325 7.202 1.556 255 HA ALA 30 HA ALA 30 3.691 7.607 2.508 256 1HB ALA 30 1HB ALA 30 3.028 6.822 0.250 257 2HB ALA 30 2HB ALA 30 4.170 8.159 0.273 258 3HB ALA 30 3HB ALA 30 4.730 6.507 -0.110 259 H ILE 31 H ILE 31 5.538 4.544 2.026 260 HA ILE 31 HA ILE 31 3.150 2.930 2.360 261 HB ILE 31 HB ILE 31 6.096 2.171 2.622 262 1HG1 ILE 31 1HG1 ILE 31 5.921 2.965 0.462 263 2HG1 ILE 31 2HG1 ILE 31 5.852 1.217 0.355 264 1HG2 ILE 31 1HG2 ILE 31 3.597 0.478 2.171 265 2HG2 ILE 31 2HG2 ILE 31 5.281 -0.106 2.136 266 3HG2 ILE 31 3HG2 ILE 31 4.590 0.529 3.641 267 1HD1 ILE 31 1HD1 ILE 31 3.332 1.437 0.070 268 2HD1 ILE 31 2HD1 ILE 31 3.565 3.199 -0.031 269 3HD1 ILE 31 3HD1 ILE 31 4.307 2.141 -1.238 270 H GLU 32 H GLU 32 5.774 4.124 4.517 271 HA GLU 32 HA GLU 32 5.012 2.713 6.856 272 1HB GLU 32 1HB GLU 32 7.145 4.097 6.466 273 2HB GLU 32 2HB GLU 32 6.186 5.537 6.675 274 1HG GLU 32 1HG GLU 32 7.237 5.181 8.732 275 2HG GLU 32 2HG GLU 32 5.561 4.746 8.999 276 H GLN 33 H GLN 33 4.049 5.994 5.772 277 HA GLN 33 HA GLN 33 2.325 6.411 8.027 278 1HB GLN 33 1HB GLN 33 1.464 8.331 6.856 279 2HB GLN 33 2HB GLN 33 3.229 8.232 6.709 280 1HG GLN 33 1HG GLN 33 2.815 7.084 4.477 281 2HG GLN 33 2HG GLN 33 1.131 7.570 4.616 282 1HE2 GLN 33 1HE2 GLN 33 4.507 8.761 4.518 283 2HE2 GLN 33 2HE2 GLN 33 4.119 10.393 3.968 284 H LEU 34 H LEU 34 1.766 4.829 4.851 285 HA LEU 34 HA LEU 34 -1.067 4.680 5.119 286 1HB LEU 34 1HB LEU 34 1.109 3.521 3.435 287 2HB LEU 34 2HB LEU 34 -0.223 2.441 3.680 288 HG LEU 34 HG LEU 34 -0.627 5.315 2.846 289 1HD1 LEU 34 1HD1 LEU 34 -0.379 2.842 1.045 290 2HD1 LEU 34 2HD1 LEU 34 -0.818 4.475 0.507 291 3HD1 LEU 34 3HD1 LEU 34 0.800 4.154 1.176 292 1HD2 LEU 34 1HD2 LEU 34 -2.651 4.033 3.694 293 2HD2 LEU 34 2HD2 LEU 34 -2.785 4.737 2.082 294 3HD2 LEU 34 3HD2 LEU 34 -2.499 3.004 2.260 295 H GLU 35 H GLU 35 1.681 2.636 6.170 296 HA GLU 35 HA GLU 35 0.176 0.403 7.158 297 1HB GLU 35 1HB GLU 35 2.857 1.521 8.041 298 2HB GLU 35 2HB GLU 35 2.031 0.220 8.876 299 1HG GLU 35 1HG GLU 35 2.067 -1.075 6.688 300 2HG GLU 35 2HG GLU 35 3.168 0.143 6.090 301 H ASN 36 H ASN 36 1.244 3.490 8.827 302 HA ASN 36 HA ASN 36 -0.093 2.557 11.223 303 1HB ASN 36 1HB ASN 36 0.901 4.241 12.333 304 2HB ASN 36 2HB ASN 36 2.093 3.835 11.122 305 1HD2 ASN 36 1HD2 ASN 36 3.109 5.636 10.454 306 2HD2 ASN 36 2HD2 ASN 36 2.422 7.244 10.324 307 H GLY 37 H GLY 37 -1.333 3.758 8.424 308 1HA GLY 37 1HA GLY 37 -3.582 4.018 8.026 309 2HA GLY 37 2HA GLY 37 -3.875 4.290 9.750 310 H LYS 38 H LYS 38 -1.297 6.230 8.473 311 HA LYS 38 HA LYS 38 -2.843 8.610 9.095 312 1HB LYS 38 1HB LYS 38 -0.020 7.814 8.685 313 2HB LYS 38 2HB LYS 38 -0.366 9.378 8.001 314 1HG LYS 38 1HG LYS 38 -1.339 8.791 10.797 315 2HG LYS 38 2HG LYS 38 0.370 8.997 10.511 316 1HD LYS 38 1HD LYS 38 -0.648 10.984 11.372 317 2HD LYS 38 2HD LYS 38 0.169 11.236 9.852 318 1HE LYS 38 1HE LYS 38 -2.845 10.801 9.964 319 2HE LYS 38 2HE LYS 38 -2.136 12.349 10.414 320 1HZ LYS 38 1HZ LYS 38 -2.392 11.230 7.781 321 2HZ LYS 38 2HZ LYS 38 -2.423 12.778 8.315 322 3HZ LYS 38 3HZ LYS 38 -0.969 12.037 8.088 323 H ALA 39 H ALA 39 -1.799 7.026 5.947 324 HA ALA 39 HA ALA 39 -2.937 9.375 4.521 325 1HB ALA 39 1HB ALA 39 -1.115 7.097 3.769 326 2HB ALA 39 2HB ALA 39 -1.926 8.113 2.559 327 3HB ALA 39 3HB ALA 39 -0.774 8.830 3.711 328 H LYS 40 H LYS 40 -5.090 9.138 4.215 329 HA LYS 40 HA LYS 40 -6.363 6.531 4.322 330 1HB LYS 40 1HB LYS 40 -7.328 8.746 5.155 331 2HB LYS 40 2HB LYS 40 -7.626 9.185 3.487 332 1HG LYS 40 1HG LYS 40 -8.805 6.822 5.026 333 2HG LYS 40 2HG LYS 40 -9.603 8.321 4.559 334 1HD LYS 40 1HD LYS 40 -9.089 7.575 2.095 335 2HD LYS 40 2HD LYS 40 -8.770 5.986 2.798 336 1HE LYS 40 1HE LYS 40 -11.036 6.133 1.918 337 2HE LYS 40 2HE LYS 40 -11.072 5.902 3.665 338 1HZ LYS 40 1HZ LYS 40 -12.594 7.624 2.720 339 2HZ LYS 40 2HZ LYS 40 -11.687 8.111 3.988 340 3HZ LYS 40 3HZ LYS 40 -11.262 8.591 2.474 341 H ARG 41 H ARG 41 -6.726 9.001 1.732 342 HA ARG 41 HA ARG 41 -6.127 6.904 -0.298 343 1HB ARG 41 1HB ARG 41 -8.457 7.335 -0.407 344 2HB ARG 41 2HB ARG 41 -8.253 9.063 -0.205 345 1HG ARG 41 1HG ARG 41 -7.172 9.176 -2.481 346 2HG ARG 41 2HG ARG 41 -7.495 7.436 -2.642 347 1HD ARG 41 1HD ARG 41 -9.970 8.106 -2.018 348 2HD ARG 41 2HD ARG 41 -9.445 9.752 -2.436 349 HE ARG 41 HE ARG 41 -8.858 7.590 -4.319 350 1HH1 ARG 41 2HH2 ARG 41 -10.954 10.413 -3.637 351 2HH1 ARG 41 1HH2 ARG 41 -11.454 10.608 -5.272 352 1HH2 ARG 41 2HH1 ARG 41 -9.640 7.752 -6.432 353 2HH2 ARG 41 1HH1 ARG 41 -10.785 8.954 -6.908 354 HA PRO 42 HA PRO 42 -3.114 10.313 -0.879 355 1HB PRO 42 1HB PRO 42 -0.954 8.787 -1.451 356 2HB PRO 42 2HB PRO 42 -1.461 9.075 0.239 357 1HG PRO 42 1HG PRO 42 -1.988 6.643 -1.486 358 2HG PRO 42 2HG PRO 42 -1.484 6.709 0.237 359 1HD PRO 42 1HD PRO 42 -4.096 6.381 -0.672 360 2HD PRO 42 2HD PRO 42 -3.687 7.032 0.937 361 H ARG 43 H ARG 43 -1.985 10.671 -2.993 362 HA ARG 43 HA ARG 43 -3.797 10.493 -5.081 363 1HB ARG 43 1HB ARG 43 -2.067 11.349 -6.513 364 2HB ARG 43 2HB ARG 43 -1.935 12.071 -4.912 365 1HG ARG 43 1HG ARG 43 0.018 10.615 -4.398 366 2HG ARG 43 2HG ARG 43 -0.099 9.914 -6.025 367 1HD ARG 43 1HD ARG 43 0.121 12.153 -7.008 368 2HD ARG 43 2HD ARG 43 0.395 12.842 -5.389 369 HE ARG 43 HE ARG 43 2.290 10.863 -5.556 370 1HH1 ARG 43 2HH2 ARG 43 1.476 13.623 -7.670 371 2HH1 ARG 43 1HH2 ARG 43 3.079 13.767 -8.309 372 1HH2 ARG 43 2HH1 ARG 43 4.329 10.947 -6.534 373 2HH2 ARG 43 1HH1 ARG 43 4.636 12.006 -7.858 374 H PHE 44 H PHE 44 -1.071 8.380 -4.501 375 HA PHE 44 HA PHE 44 -1.207 7.045 -7.005 376 1HB PHE 44 1HB PHE 44 0.729 5.822 -6.056 377 2HB PHE 44 2HB PHE 44 0.872 7.552 -5.848 378 HD1 PHE 44 1HD PHE 44 1.340 8.444 -3.664 379 HD2 PHE 44 2HD PHE 44 -0.215 4.442 -4.040 380 HE1 PHE 44 1HE PHE 44 1.679 8.069 -1.251 381 HE2 PHE 44 2HE PHE 44 0.094 4.077 -1.636 382 HZ PHE 44 HZ PHE 44 1.021 5.858 -0.218 383 H LEU 45 H LEU 45 -3.455 6.521 -4.539 384 HA LEU 45 HA LEU 45 -3.121 3.956 -3.751 385 1HB LEU 45 1HB LEU 45 -4.733 5.730 -2.943 386 2HB LEU 45 2HB LEU 45 -5.724 5.420 -4.371 387 HG LEU 45 HG LEU 45 -5.934 3.064 -3.632 388 1HD1 LEU 45 1HD1 LEU 45 -5.494 2.515 -1.237 389 2HD1 LEU 45 2HD1 LEU 45 -3.992 2.899 -2.086 390 3HD1 LEU 45 3HD1 LEU 45 -4.734 4.103 -1.015 391 1HD2 LEU 45 1HD2 LEU 45 -6.933 5.151 -1.640 392 2HD2 LEU 45 2HD2 LEU 45 -7.706 4.747 -3.189 393 3HD2 LEU 45 3HD2 LEU 45 -7.638 3.543 -1.890 394 HA PRO 46 HA PRO 46 -5.294 1.965 -7.503 395 1HB PRO 46 1HB PRO 46 -5.201 3.213 -9.939 396 2HB PRO 46 2HB PRO 46 -6.568 3.408 -8.809 397 1HG PRO 46 1HG PRO 46 -4.167 5.231 -9.173 398 2HG PRO 46 2HG PRO 46 -5.893 5.693 -9.117 399 1HD PRO 46 1HD PRO 46 -4.360 5.913 -6.948 400 2HD PRO 46 2HD PRO 46 -6.021 5.276 -6.783 401 H GLU 47 H GLU 47 -2.388 3.978 -7.841 402 HA GLU 47 HA GLU 47 -1.115 2.318 -9.805 403 1HB GLU 47 1HB GLU 47 0.101 4.300 -7.820 404 2HB GLU 47 2HB GLU 47 0.816 3.666 -9.268 405 1HG GLU 47 1HG GLU 47 -1.018 4.774 -10.614 406 2HG GLU 47 2HG GLU 47 -1.657 5.467 -9.119 407 H LEU 48 H LEU 48 -0.870 2.799 -6.293 408 HA LEU 48 HA LEU 48 0.966 0.642 -5.793 409 1HB LEU 48 1HB LEU 48 0.479 2.452 -4.217 410 2HB LEU 48 2HB LEU 48 -1.113 1.787 -3.888 411 HG LEU 48 HG LEU 48 1.128 -0.192 -3.643 412 1HD1 LEU 48 1HD1 LEU 48 1.022 2.019 -1.575 413 2HD1 LEU 48 2HD1 LEU 48 2.095 0.602 -1.641 414 3HD1 LEU 48 3HD1 LEU 48 2.258 1.890 -2.843 415 1HD2 LEU 48 1HD2 LEU 48 -1.100 0.668 -1.742 416 2HD2 LEU 48 2HD2 LEU 48 -1.094 -0.753 -2.817 417 3HD2 LEU 48 3HD2 LEU 48 0.028 -0.671 -1.454 418 H ALA 49 H ALA 49 -2.599 0.776 -5.770 419 HA ALA 49 HA ALA 49 -2.936 -1.973 -5.112 420 1HB ALA 49 1HB ALA 49 -5.207 -1.763 -5.965 421 2HB ALA 49 2HB ALA 49 -4.812 -0.197 -5.266 422 3HB ALA 49 3HB ALA 49 -4.764 -0.412 -7.020 423 H ARG 50 H ARG 50 -2.694 -0.519 -8.386 424 HA ARG 50 HA ARG 50 -2.858 -2.934 -9.826 425 1HB ARG 50 1HB ARG 50 -2.985 -0.563 -10.710 426 2HB ARG 50 2HB ARG 50 -1.221 -0.466 -10.568 427 1HG ARG 50 1HG ARG 50 -1.040 -2.410 -12.146 428 2HG ARG 50 2HG ARG 50 -2.809 -2.466 -12.226 429 1HD ARG 50 1HD ARG 50 -2.178 -1.334 -14.164 430 2HD ARG 50 2HD ARG 50 -2.778 -0.087 -13.079 431 HE ARG 50 HE ARG 50 -0.532 0.632 -12.639 432 1HH1 ARG 50 2HH2 ARG 50 -0.636 -1.860 -15.195 433 2HH1 ARG 50 1HH2 ARG 50 0.926 -1.479 -15.796 434 1HH2 ARG 50 2HH1 ARG 50 1.420 1.144 -13.393 435 2HH2 ARG 50 1HH1 ARG 50 2.153 0.430 -14.793 436 H ALA 51 H ALA 51 0.064 -1.212 -8.604 437 HA ALA 51 HA ALA 51 1.894 -3.178 -9.488 438 1HB ALA 51 1HB ALA 51 3.336 -1.580 -8.834 439 2HB ALA 51 2HB ALA 51 2.046 -0.690 -8.040 440 3HB ALA 51 3HB ALA 51 2.942 -1.903 -7.133 441 H LEU 52 H LEU 52 -0.017 -3.011 -6.473 442 HA LEU 52 HA LEU 52 1.318 -5.218 -5.203 443 1HB LEU 52 1HB LEU 52 0.134 -3.385 -4.096 444 2HB LEU 52 2HB LEU 52 -1.407 -4.052 -4.663 445 HG LEU 52 HG LEU 52 -0.998 -6.042 -3.284 446 1HD1 LEU 52 1HD1 LEU 52 1.418 -6.333 -3.326 447 2HD1 LEU 52 2HD1 LEU 52 1.680 -4.714 -2.635 448 3HD1 LEU 52 3HD1 LEU 52 0.982 -6.008 -1.652 449 1HD2 LEU 52 1HD2 LEU 52 -2.016 -3.968 -2.362 450 2HD2 LEU 52 2HD2 LEU 52 -1.178 -4.902 -1.115 451 3HD2 LEU 52 3HD2 LEU 52 -0.413 -3.448 -1.798 452 H GLY 53 H GLY 53 -1.233 -4.991 -7.593 453 1HA GLY 53 1HA GLY 53 -1.971 -6.784 -8.923 454 2HA GLY 53 2HA GLY 53 -1.401 -7.945 -7.709 455 H VAL 54 H VAL 54 -3.447 -5.085 -6.933 456 HA VAL 54 HA VAL 54 -5.751 -6.864 -6.398 457 HB VAL 54 HB VAL 54 -5.955 -6.180 -4.145 458 1HG1 VAL 54 1HG1 VAL 54 -4.220 -7.973 -4.470 459 2HG1 VAL 54 2HG1 VAL 54 -2.960 -6.728 -4.468 460 3HG1 VAL 54 3HG1 VAL 54 -3.946 -6.990 -3.023 461 1HG2 VAL 54 1HG2 VAL 54 -5.378 -3.886 -4.124 462 2HG2 VAL 54 2HG2 VAL 54 -4.216 -4.663 -3.047 463 3HG2 VAL 54 3HG2 VAL 54 -3.723 -4.202 -4.684 464 H ALA 55 H ALA 55 -7.686 -5.420 -5.733 465 HA ALA 55 HA ALA 55 -7.889 -3.190 -7.657 466 1HB ALA 55 1HB ALA 55 -9.889 -4.404 -5.687 467 2HB ALA 55 2HB ALA 55 -10.260 -3.113 -6.850 468 3HB ALA 55 3HB ALA 55 -9.792 -4.708 -7.430 469 H VAL 56 H VAL 56 -8.619 -0.986 -6.965 470 HA VAL 56 HA VAL 56 -7.587 0.084 -4.481 471 HB VAL 56 HB VAL 56 -9.683 0.986 -6.524 472 1HG1 VAL 56 1HG1 VAL 56 -9.467 3.254 -5.514 473 2HG1 VAL 56 2HG1 VAL 56 -10.247 2.095 -4.441 474 3HG1 VAL 56 3HG1 VAL 56 -8.545 2.530 -4.165 475 1HG2 VAL 56 1HG2 VAL 56 -7.961 2.592 -7.204 476 2HG2 VAL 56 2HG2 VAL 56 -6.849 1.921 -5.983 477 3HG2 VAL 56 3HG2 VAL 56 -7.371 0.935 -7.374 478 H ASP 57 H ASP 57 -10.805 -1.316 -5.502 479 HA ASP 57 HA ASP 57 -12.053 -0.762 -3.042 480 1HB ASP 57 1HB ASP 57 -13.044 -1.675 -5.259 481 2HB ASP 57 2HB ASP 57 -12.635 -3.279 -4.630 482 H TRP 58 H TRP 58 -9.914 -3.461 -3.965 483 HA TRP 58 HA TRP 58 -10.265 -4.954 -1.514 484 1HB TRP 58 1HB TRP 58 -9.249 -5.958 -3.564 485 2HB TRP 58 2HB TRP 58 -7.854 -4.902 -3.335 486 HD1 TRP 58 HD TRP 58 -9.481 -8.008 -2.016 487 HE1 TRP 58 1HE TRP 58 -8.082 -9.156 -0.251 488 HE3 TRP 58 3HE TRP 58 -5.821 -4.489 -1.533 489 HZ2 TRP 58 2HZ TRP 58 -5.627 -8.616 1.231 490 HZ3 TRP 58 3HZ TRP 58 -3.875 -4.900 -0.019 491 HH2 TRP 58 HH TRP 58 -3.812 -6.950 1.394 492 H LEU 59 H LEU 59 -7.949 -2.454 -2.644 493 HA LEU 59 HA LEU 59 -6.447 -2.344 -0.222 494 1HB LEU 59 1HB LEU 59 -6.858 -0.584 -2.592 495 2HB LEU 59 2HB LEU 59 -6.302 0.188 -1.153 496 HG LEU 59 HG LEU 59 -4.957 -1.997 -2.751 497 1HD1 LEU 59 1HD1 LEU 59 -3.804 0.621 -1.736 498 2HD1 LEU 59 2HD1 LEU 59 -3.277 -0.372 -3.111 499 3HD1 LEU 59 3HD1 LEU 59 -4.776 0.555 -3.212 500 1HD2 LEU 59 1HD2 LEU 59 -3.033 -1.864 -1.084 501 2HD2 LEU 59 2HD2 LEU 59 -4.155 -1.075 0.049 502 3HD2 LEU 59 3HD2 LEU 59 -4.434 -2.743 -0.499 503 H LEU 60 H LEU 60 -9.271 -0.398 -1.203 504 HA LEU 60 HA LEU 60 -9.460 1.145 1.147 505 1HB LEU 60 1HB LEU 60 -11.439 0.212 -0.959 506 2HB LEU 60 2HB LEU 60 -11.983 1.133 0.416 507 HG LEU 60 HG LEU 60 -9.825 2.098 -1.521 508 1HD1 LEU 60 1HD1 LEU 60 -12.012 1.828 -2.641 509 2HD1 LEU 60 2HD1 LEU 60 -12.783 2.817 -1.385 510 3HD1 LEU 60 3HD1 LEU 60 -11.580 3.536 -2.482 511 1HD2 LEU 60 1HD2 LEU 60 -9.651 3.237 0.656 512 2HD2 LEU 60 2HD2 LEU 60 -10.307 4.340 -0.551 513 3HD2 LEU 60 3HD2 LEU 60 -11.392 3.589 0.635 514 H ASN 61 H ASN 61 -11.126 -1.871 0.293 515 HA ASN 61 HA ASN 61 -12.290 -1.990 3.012 516 1HB ASN 61 1HB ASN 61 -13.221 -3.270 0.415 517 2HB ASN 61 2HB ASN 61 -14.121 -3.110 1.912 518 1HD2 ASN 61 1HD2 ASN 61 -14.255 -1.934 -1.056 519 2HD2 ASN 61 2HD2 ASN 61 -14.681 -0.265 -0.756 520 H GLY 62 H GLY 62 -10.737 -4.138 0.576 521 1HA GLY 62 1HA GLY 62 -9.449 -6.009 1.031 522 2HA GLY 62 2HA GLY 62 -10.068 -6.068 2.675 523 H ALA 63 H ALA 63 -11.108 -6.498 -0.711 524 HA ALA 63 HA ALA 63 -13.191 -8.383 -0.202 525 1HB ALA 63 1HB ALA 63 -12.983 -7.182 -2.348 526 2HB ALA 63 2HB ALA 63 -11.501 -8.095 -2.717 527 3HB ALA 63 3HB ALA 63 -13.046 -8.940 -2.563 Start of MODEL 2 1 1H MET 0 H MET 0 -6.304 -5.227 12.285 2 HA MET 0 HA MET 0 -6.558 -5.466 9.562 3 1HB MET 0 1HB MET 0 -8.314 -5.572 11.535 4 2HB MET 0 2HB MET 0 -8.657 -3.905 11.085 5 1HG MET 0 1HG MET 0 -9.040 -4.822 8.690 6 2HG MET 0 2HG MET 0 -8.936 -6.423 9.391 7 1HE MET 0 1HE MET 0 -10.690 -7.579 10.580 8 2HE MET 0 2HE MET 0 -10.626 -6.517 12.006 9 3HE MET 0 3HE MET 0 -12.187 -6.907 11.247 10 H LEU 1 H LEU 1 -7.801 -3.863 8.122 11 HA LEU 1 HA LEU 1 -8.387 -1.875 7.179 12 1HB LEU 1 1HB LEU 1 -6.429 -0.379 8.971 13 2HB LEU 1 2HB LEU 1 -7.587 0.321 7.869 14 HG LEU 1 HG LEU 1 -8.367 -1.282 10.335 15 1HD1 LEU 1 1HD1 LEU 1 -7.295 0.862 10.894 16 2HD1 LEU 1 2HD1 LEU 1 -8.399 1.721 9.808 17 3HD1 LEU 1 3HD1 LEU 1 -9.022 0.900 11.256 18 1HD2 LEU 1 1HD2 LEU 1 -10.079 -1.492 8.636 19 2HD2 LEU 1 2HD2 LEU 1 -10.631 -0.286 9.798 20 3HD2 LEU 1 3HD2 LEU 1 -9.968 0.234 8.236 21 H MET 2 H MET 2 -6.916 0.020 6.090 22 HA MET 2 HA MET 2 -5.594 -1.281 4.009 23 1HB MET 2 1HB MET 2 -5.960 1.547 4.908 24 2HB MET 2 2HB MET 2 -4.566 1.255 3.854 25 1HG MET 2 1HG MET 2 -6.025 -0.011 2.297 26 2HG MET 2 2HG MET 2 -7.414 0.309 3.344 27 1HE MET 2 1HE MET 2 -8.099 4.067 2.744 28 2HE MET 2 2HE MET 2 -8.636 2.572 3.551 29 3HE MET 2 3HE MET 2 -7.128 3.378 4.053 30 H GLY 3 H GLY 3 -4.108 0.545 6.677 31 1HA GLY 3 1HA GLY 3 -1.436 0.206 6.149 32 2HA GLY 3 2HA GLY 3 -2.132 0.166 7.784 33 H GLU 4 H GLU 4 -3.364 -2.203 8.132 34 HA GLU 4 HA GLU 4 -1.400 -4.147 8.198 35 1HB GLU 4 1HB GLU 4 -3.773 -3.746 9.345 36 2HB GLU 4 2HB GLU 4 -4.341 -4.847 8.084 37 1HG GLU 4 1HG GLU 4 -2.227 -5.301 10.206 38 2HG GLU 4 2HG GLU 4 -3.848 -5.965 10.177 39 H ARG 5 H ARG 5 -4.061 -3.691 5.805 40 HA ARG 5 HA ARG 5 -3.615 -6.066 4.299 41 1HB ARG 5 1HB ARG 5 -4.914 -3.408 3.841 42 2HB ARG 5 2HB ARG 5 -4.304 -4.163 2.375 43 1HG ARG 5 1HG ARG 5 -5.538 -6.244 2.936 44 2HG ARG 5 2HG ARG 5 -6.229 -5.437 4.338 45 1HD ARG 5 1HD ARG 5 -6.500 -4.557 1.426 46 2HD ARG 5 2HD ARG 5 -7.725 -5.440 2.313 47 HE ARG 5 HE ARG 5 -7.533 -2.727 2.115 48 1HH1 ARG 5 2HH2 ARG 5 -7.799 -4.852 5.033 49 2HH1 ARG 5 1HH2 ARG 5 -9.102 -3.891 5.628 50 1HH2 ARG 5 2HH1 ARG 5 -8.921 -1.407 3.177 51 2HH2 ARG 5 1HH1 ARG 5 -9.599 -1.842 4.726 52 H ILE 6 H ILE 6 -2.143 -2.861 3.971 53 HA ILE 6 HA ILE 6 -0.530 -3.476 1.686 54 HB ILE 6 HB ILE 6 -0.562 -1.320 3.825 55 1HG1 ILE 6 1HG1 ILE 6 -1.043 -1.176 0.808 56 2HG1 ILE 6 2HG1 ILE 6 -2.325 -1.544 1.948 57 1HG2 ILE 6 1HG2 ILE 6 1.408 -1.431 1.506 58 2HG2 ILE 6 2HG2 ILE 6 1.121 -0.020 2.560 59 3HG2 ILE 6 3HG2 ILE 6 1.791 -1.484 3.247 60 1HD1 ILE 6 1HD1 ILE 6 -0.748 1.032 1.873 61 2HD1 ILE 6 2HD1 ILE 6 -2.442 0.786 1.407 62 3HD1 ILE 6 3HD1 ILE 6 -1.960 0.610 3.107 63 H ARG 7 H ARG 7 0.187 -3.402 5.233 64 HA ARG 7 HA ARG 7 2.901 -4.244 4.925 65 1HB ARG 7 1HB ARG 7 1.736 -3.345 7.044 66 2HB ARG 7 2HB ARG 7 1.055 -4.961 7.239 67 1HG ARG 7 1HG ARG 7 3.472 -5.846 7.162 68 2HG ARG 7 2HG ARG 7 3.977 -4.146 7.309 69 1HD ARG 7 1HD ARG 7 2.630 -3.961 9.393 70 2HD ARG 7 2HD ARG 7 2.105 -5.638 9.188 71 HE ARG 7 HE ARG 7 4.992 -5.173 9.306 72 1HH1 ARG 7 2HH2 ARG 7 2.071 -6.029 11.193 73 2HH1 ARG 7 1HH2 ARG 7 3.001 -6.610 12.540 74 1HH2 ARG 7 2HH1 ARG 7 6.139 -6.031 10.968 75 2HH2 ARG 7 1HH1 ARG 7 5.403 -6.681 12.403 76 H ALA 8 H ALA 8 -0.077 -6.155 5.490 77 HA ALA 8 HA ALA 8 1.214 -8.612 5.659 78 1HB ALA 8 1HB ALA 8 -1.076 -8.115 6.454 79 2HB ALA 8 2HB ALA 8 -1.650 -8.075 4.774 80 3HB ALA 8 3HB ALA 8 -0.988 -9.579 5.472 81 H ARG 9 H ARG 9 -0.315 -7.072 2.769 82 HA ARG 9 HA ARG 9 0.232 -9.338 1.072 83 1HB ARG 9 1HB ARG 9 -1.452 -7.349 0.885 84 2HB ARG 9 2HB ARG 9 -0.124 -6.496 0.137 85 1HG ARG 9 1HG ARG 9 -1.654 -8.945 -0.839 86 2HG ARG 9 2HG ARG 9 -1.620 -7.341 -1.514 87 1HD ARG 9 1HD ARG 9 0.913 -7.854 -1.999 88 2HD ARG 9 2HD ARG 9 0.456 -9.531 -1.667 89 HE ARG 9 HE ARG 9 -1.071 -7.846 -3.579 90 1HH1 ARG 9 2HH2 ARG 9 1.256 -10.528 -3.236 91 2HH1 ARG 9 1HH2 ARG 9 0.925 -11.204 -4.775 92 1HH2 ARG 9 2HH1 ARG 9 -1.804 -9.068 -5.543 93 2HH2 ARG 9 1HH1 ARG 9 -0.897 -10.481 -5.973 94 H ARG 10 H ARG 10 2.079 -6.349 1.897 95 HA ARG 10 HA ARG 10 4.239 -6.733 0.066 96 1HB ARG 10 1HB ARG 10 3.769 -4.720 1.547 97 2HB ARG 10 2HB ARG 10 4.317 -5.622 2.918 98 1HG ARG 10 1HG ARG 10 6.509 -5.516 2.391 99 2HG ARG 10 2HG ARG 10 6.246 -5.536 0.642 100 1HD ARG 10 1HD ARG 10 7.090 -3.293 1.600 101 2HD ARG 10 2HD ARG 10 5.700 -3.290 0.544 102 HE ARG 10 HE ARG 10 4.484 -2.327 2.142 103 1HH1 ARG 10 2HH2 ARG 10 7.038 -4.164 3.923 104 2HH1 ARG 10 1HH2 ARG 10 6.403 -3.676 5.434 105 1HH2 ARG 10 2HH1 ARG 10 3.710 -1.752 4.150 106 2HH2 ARG 10 1HH1 ARG 10 4.659 -2.148 5.533 107 H ILE 11 H ILE 11 3.789 -7.761 3.406 108 HA ILE 11 HA ILE 11 6.100 -9.386 3.678 109 HB ILE 11 HB ILE 11 3.406 -9.261 5.057 110 1HG1 ILE 11 1HG1 ILE 11 4.993 -7.376 5.408 111 2HG1 ILE 11 2HG1 ILE 11 4.607 -8.238 6.883 112 1HG2 ILE 11 1HG2 ILE 11 5.654 -11.081 5.934 113 2HG2 ILE 11 2HG2 ILE 11 4.223 -10.657 6.892 114 3HG2 ILE 11 3HG2 ILE 11 4.031 -11.570 5.397 115 1HD1 ILE 11 1HD1 ILE 11 7.194 -8.486 5.273 116 2HD1 ILE 11 2HD1 ILE 11 6.937 -7.586 6.766 117 3HD1 ILE 11 3HD1 ILE 11 6.837 -9.351 6.789 118 H GLN 12 H GLN 12 2.833 -10.273 2.486 119 HA GLN 12 HA GLN 12 3.292 -12.993 2.008 120 1HB GLN 12 1HB GLN 12 1.183 -11.424 1.668 121 2HB GLN 12 2HB GLN 12 1.823 -11.197 0.054 122 1HG GLN 12 1HG GLN 12 1.694 -13.759 -0.162 123 2HG GLN 12 2HG GLN 12 0.752 -13.723 1.339 124 1HE2 GLN 12 1HE2 GLN 12 0.906 -12.497 -2.013 125 2HE2 GLN 12 2HE2 GLN 12 -0.821 -12.210 -2.190 126 H LEU 13 H LEU 13 4.192 -10.176 0.095 127 HA LEU 13 HA LEU 13 5.488 -11.747 -2.012 128 1HB LEU 13 1HB LEU 13 4.193 -9.612 -2.357 129 2HB LEU 13 2HB LEU 13 5.470 -8.742 -1.513 130 HG LEU 13 HG LEU 13 7.071 -9.309 -3.283 131 1HD1 LEU 13 1HD1 LEU 13 4.735 -10.776 -4.583 132 2HD1 LEU 13 2HD1 LEU 13 6.261 -10.366 -5.401 133 3HD1 LEU 13 3HD1 LEU 13 6.270 -11.495 -4.049 134 1HD2 LEU 13 1HD2 LEU 13 5.676 -7.285 -3.481 135 2HD2 LEU 13 2HD2 LEU 13 6.084 -7.961 -5.065 136 3HD2 LEU 13 3HD2 LEU 13 4.459 -8.211 -4.392 137 H GLY 14 H GLY 14 6.331 -10.881 1.087 138 1HA GLY 14 1HA GLY 14 8.134 -10.735 2.373 139 2HA GLY 14 2HA GLY 14 8.998 -11.693 1.184 140 H LEU 15 H LEU 15 7.613 -8.464 0.493 141 HA LEU 15 HA LEU 15 10.358 -7.615 -0.359 142 1HB LEU 15 1HB LEU 15 7.511 -6.745 -0.883 143 2HB LEU 15 2HB LEU 15 8.692 -5.476 -0.802 144 HG LEU 15 HG LEU 15 8.531 -7.657 -2.825 145 1HD1 LEU 15 1HD1 LEU 15 8.414 -5.817 -4.363 146 2HD1 LEU 15 2HD1 LEU 15 7.258 -5.504 -3.063 147 3HD1 LEU 15 3HD1 LEU 15 8.815 -4.645 -3.097 148 1HD2 LEU 15 1HD2 LEU 15 10.848 -7.763 -2.504 149 2HD2 LEU 15 2HD2 LEU 15 10.648 -6.632 -3.836 150 3HD2 LEU 15 3HD2 LEU 15 10.993 -6.024 -2.204 151 H ASN 16 H ASN 16 11.114 -5.489 0.311 152 HA ASN 16 HA ASN 16 10.378 -4.712 3.086 153 1HB ASN 16 1HB ASN 16 12.365 -3.400 1.193 154 2HB ASN 16 2HB ASN 16 12.106 -2.972 2.862 155 1HD2 ASN 16 1HD2 ASN 16 14.588 -4.033 1.479 156 2HD2 ASN 16 2HD2 ASN 16 15.062 -5.366 2.500 157 H GLN 17 H GLN 17 9.888 -2.344 3.518 158 HA GLN 17 HA GLN 17 7.709 -1.309 1.997 159 1HB GLN 17 1HB GLN 17 9.695 0.214 3.715 160 2HB GLN 17 2HB GLN 17 8.148 0.829 3.209 161 1HG GLN 17 1HG GLN 17 6.968 -0.730 4.601 162 2HG GLN 17 2HG GLN 17 8.436 -1.657 4.941 163 1HE2 GLN 17 1HE2 GLN 17 6.817 -0.692 6.930 164 2HE2 GLN 17 2HE2 GLN 17 7.830 0.425 7.897 165 H ALA 18 H ALA 18 11.191 -0.298 2.000 166 HA ALA 18 HA ALA 18 10.850 1.756 0.140 167 1HB ALA 18 1HB ALA 18 13.298 1.646 -0.132 168 2HB ALA 18 2HB ALA 18 12.833 1.482 1.569 169 3HB ALA 18 3HB ALA 18 13.327 0.048 0.637 170 H GLU 19 H GLU 19 11.382 -1.697 -0.421 171 HA GLU 19 HA GLU 19 11.905 -1.455 -3.249 172 1HB GLU 19 1HB GLU 19 10.839 -3.782 -1.573 173 2HB GLU 19 2HB GLU 19 11.295 -3.910 -3.269 174 1HG GLU 19 1HG GLU 19 13.497 -2.714 -1.808 175 2HG GLU 19 2HG GLU 19 12.937 -4.143 -0.942 176 H LEU 20 H LEU 20 8.948 -2.290 -1.371 177 HA LEU 20 HA LEU 20 7.193 -2.473 -3.616 178 1HB LEU 20 1HB LEU 20 6.494 -3.186 -1.377 179 2HB LEU 20 2HB LEU 20 6.643 -1.534 -0.770 180 HG LEU 20 HG LEU 20 4.833 -0.813 -2.376 181 1HD1 LEU 20 1HD1 LEU 20 4.969 -2.649 -3.997 182 2HD1 LEU 20 2HD1 LEU 20 4.459 -3.821 -2.760 183 3HD1 LEU 20 3HD1 LEU 20 3.341 -2.552 -3.323 184 1HD2 LEU 20 1HD2 LEU 20 4.345 -1.330 0.011 185 2HD2 LEU 20 2HD2 LEU 20 2.979 -1.523 -1.092 186 3HD2 LEU 20 3HD2 LEU 20 3.824 -2.962 -0.499 187 H ALA 21 H ALA 21 8.187 0.261 -1.564 188 HA ALA 21 HA ALA 21 6.585 2.242 -2.620 189 1HB ALA 21 1HB ALA 21 8.155 3.777 -1.619 190 2HB ALA 21 2HB ALA 21 7.975 2.393 -0.554 191 3HB ALA 21 3HB ALA 21 9.417 2.551 -1.559 192 H GLN 22 H GLN 22 9.969 1.385 -3.677 193 HA GLN 22 HA GLN 22 10.036 3.296 -5.780 194 1HB GLN 22 1HB GLN 22 11.509 0.634 -5.457 195 2HB GLN 22 2HB GLN 22 11.760 1.755 -6.793 196 1HG GLN 22 1HG GLN 22 12.127 3.528 -4.881 197 2HG GLN 22 2HG GLN 22 12.536 2.099 -3.924 198 1HE2 GLN 22 1HE2 GLN 22 14.129 4.448 -5.163 199 2HE2 GLN 22 2HE2 GLN 22 15.433 3.704 -6.067 200 H LYS 23 H LYS 23 8.897 -0.146 -5.842 201 HA LYS 23 HA LYS 23 8.595 0.043 -8.724 202 1HB LYS 23 1HB LYS 23 9.040 -2.051 -8.567 203 2HB LYS 23 2HB LYS 23 8.912 -2.058 -6.832 204 1HG LYS 23 1HG LYS 23 6.481 -2.430 -8.610 205 2HG LYS 23 2HG LYS 23 7.560 -3.744 -8.165 206 1HD LYS 23 1HD LYS 23 7.120 -3.528 -5.833 207 2HD LYS 23 2HD LYS 23 6.295 -1.981 -6.054 208 1HE LYS 23 1HE LYS 23 4.707 -3.840 -5.646 209 2HE LYS 23 2HE LYS 23 4.436 -2.991 -7.153 210 1HZ LYS 23 1HZ LYS 23 5.971 -5.517 -7.107 211 2HZ LYS 23 2HZ LYS 23 4.324 -5.451 -7.314 212 3HZ LYS 23 3HZ LYS 23 5.297 -4.723 -8.393 213 H VAL 24 H VAL 24 6.539 0.826 -6.052 214 HA VAL 24 HA VAL 24 4.137 0.980 -7.742 215 HB VAL 24 HB VAL 24 4.745 2.224 -5.027 216 1HG1 VAL 24 1HG1 VAL 24 2.279 2.441 -4.917 217 2HG1 VAL 24 2HG1 VAL 24 2.945 3.378 -6.257 218 3HG1 VAL 24 3HG1 VAL 24 2.193 1.838 -6.612 219 1HG2 VAL 24 1HG2 VAL 24 2.788 -0.061 -5.293 220 2HG2 VAL 24 2HG2 VAL 24 4.492 -0.466 -5.237 221 3HG2 VAL 24 3HG2 VAL 24 3.748 0.467 -3.923 222 H GLY 25 H GLY 25 6.767 3.166 -6.546 223 1HA GLY 25 1HA GLY 25 7.459 5.024 -7.952 224 2HA GLY 25 2HA GLY 25 5.772 5.294 -8.374 225 H VAL 26 H VAL 26 6.213 4.475 -5.004 226 HA VAL 26 HA VAL 26 5.794 7.271 -4.235 227 HB VAL 26 HB VAL 26 4.571 6.431 -2.447 228 1HG1 VAL 26 1HG1 VAL 26 3.682 4.869 -4.892 229 2HG1 VAL 26 2HG1 VAL 26 2.671 5.283 -3.512 230 3HG1 VAL 26 3HG1 VAL 26 3.327 6.567 -4.564 231 1HG2 VAL 26 1HG2 VAL 26 3.996 4.156 -1.920 232 2HG2 VAL 26 2HG2 VAL 26 5.024 3.562 -3.239 233 3HG2 VAL 26 3HG2 VAL 26 5.742 4.367 -1.818 234 H ASP 27 H ASP 27 6.644 7.612 -1.838 235 HA ASP 27 HA ASP 27 9.426 6.771 -1.675 236 1HB ASP 27 1HB ASP 27 8.816 8.185 0.612 237 2HB ASP 27 2HB ASP 27 9.519 8.862 -0.848 238 H GLN 28 H GLN 28 10.226 5.766 0.292 239 HA GLN 28 HA GLN 28 8.734 3.555 1.334 240 1HB GLN 28 1HB GLN 28 11.256 3.849 1.389 241 2HB GLN 28 2HB GLN 28 11.020 5.073 2.629 242 1HG GLN 28 1HG GLN 28 9.699 3.040 3.847 243 2HG GLN 28 2HG GLN 28 10.764 2.094 2.817 244 1HE2 GLN 28 1HE2 GLN 28 10.540 4.117 5.674 245 2HE2 GLN 28 2HE2 GLN 28 12.221 4.133 6.088 246 H GLN 29 H GLN 29 9.179 6.909 2.433 247 HA GLN 29 HA GLN 29 7.859 6.776 4.885 248 1HB GLN 29 1HB GLN 29 9.049 8.790 3.307 249 2HB GLN 29 2HB GLN 29 7.357 9.274 3.314 250 1HG GLN 29 1HG GLN 29 8.558 10.309 5.181 251 2HG GLN 29 2HG GLN 29 7.344 9.180 5.801 252 1HE2 GLN 29 1HE2 GLN 29 8.186 7.965 7.531 253 2HE2 GLN 29 2HE2 GLN 29 9.792 7.234 7.495 254 H ALA 30 H ALA 30 6.431 7.242 1.602 255 HA ALA 30 HA ALA 30 3.764 7.557 2.485 256 1HB ALA 30 1HB ALA 30 4.746 6.271 -0.089 257 2HB ALA 30 2HB ALA 30 3.119 6.873 0.242 258 3HB ALA 30 3HB ALA 30 4.466 8.013 0.160 259 H ILE 31 H ILE 31 5.701 4.542 2.013 260 HA ILE 31 HA ILE 31 3.382 2.844 2.440 261 HB ILE 31 HB ILE 31 6.351 2.226 2.732 262 1HG1 ILE 31 1HG1 ILE 31 6.047 2.881 0.484 263 2HG1 ILE 31 2HG1 ILE 31 6.193 1.139 0.539 264 1HG2 ILE 31 1HG2 ILE 31 3.942 0.373 2.502 265 2HG2 ILE 31 2HG2 ILE 31 5.649 -0.139 2.398 266 3HG2 ILE 31 3HG2 ILE 31 5.023 0.555 3.897 267 1HD1 ILE 31 1HD1 ILE 31 3.627 2.729 0.108 268 2HD1 ILE 31 2HD1 ILE 31 4.505 1.758 -1.085 269 3HD1 ILE 31 3HD1 ILE 31 3.691 0.959 0.270 270 H GLU 32 H GLU 32 5.969 4.169 4.566 271 HA GLU 32 HA GLU 32 5.113 2.705 6.912 272 1HB GLU 32 1HB GLU 32 7.354 3.454 6.924 273 2HB GLU 32 2HB GLU 32 6.943 5.084 6.368 274 1HG GLU 32 1HG GLU 32 6.211 5.796 8.467 275 2HG GLU 32 2HG GLU 32 5.866 4.142 8.993 276 H GLN 33 H GLN 33 4.240 5.991 5.780 277 HA GLN 33 HA GLN 33 2.603 6.370 8.144 278 1HB GLN 33 1HB GLN 33 1.892 8.390 7.128 279 2HB GLN 33 2HB GLN 33 3.568 8.163 6.643 280 1HG GLN 33 1HG GLN 33 2.621 7.078 4.522 281 2HG GLN 33 2HG GLN 33 1.052 7.726 4.996 282 1HE2 GLN 33 1HE2 GLN 33 4.470 8.721 4.589 283 2HE2 GLN 33 2HE2 GLN 33 4.175 10.221 3.751 284 H LEU 34 H LEU 34 1.973 4.882 4.908 285 HA LEU 34 HA LEU 34 -0.844 4.738 5.212 286 1HB LEU 34 1HB LEU 34 1.292 3.574 3.489 287 2HB LEU 34 2HB LEU 34 -0.034 2.508 3.729 288 HG LEU 34 HG LEU 34 -0.482 5.409 3.028 289 1HD1 LEU 34 1HD1 LEU 34 -0.230 3.067 1.067 290 2HD1 LEU 34 2HD1 LEU 34 -0.689 4.732 0.669 291 3HD1 LEU 34 3HD1 LEU 34 0.946 4.378 1.264 292 1HD2 LEU 34 1HD2 LEU 34 -2.258 2.980 2.558 293 2HD2 LEU 34 2HD2 LEU 34 -2.496 4.204 3.814 294 3HD2 LEU 34 3HD2 LEU 34 -2.629 4.640 2.105 295 H GLU 35 H GLU 35 1.875 2.639 6.156 296 HA GLU 35 HA GLU 35 0.482 0.371 7.117 297 1HB GLU 35 1HB GLU 35 3.164 1.596 7.719 298 2HB GLU 35 2HB GLU 35 2.503 0.440 8.851 299 1HG GLU 35 1HG GLU 35 2.116 -1.061 6.684 300 2HG GLU 35 2HG GLU 35 3.299 0.000 5.965 301 H ASN 36 H ASN 36 1.308 3.439 8.883 302 HA ASN 36 HA ASN 36 -0.280 2.493 11.134 303 1HB ASN 36 1HB ASN 36 0.505 4.230 12.309 304 2HB ASN 36 2HB ASN 36 1.830 3.854 11.236 305 1HD2 ASN 36 1HD2 ASN 36 2.855 5.612 10.700 306 2HD2 ASN 36 2HD2 ASN 36 2.201 7.243 10.648 307 H GLY 37 H GLY 37 -1.367 3.593 8.227 308 1HA GLY 37 1HA GLY 37 -3.561 4.046 7.663 309 2HA GLY 37 2HA GLY 37 -3.972 4.282 9.363 310 H LYS 38 H LYS 38 -1.218 6.153 8.361 311 HA LYS 38 HA LYS 38 -2.688 8.635 8.709 312 1HB LYS 38 1HB LYS 38 0.113 7.725 8.563 313 2HB LYS 38 2HB LYS 38 -0.120 9.197 7.678 314 1HG LYS 38 1HG LYS 38 -1.374 9.256 10.383 315 2HG LYS 38 2HG LYS 38 0.351 8.912 10.394 316 1HD LYS 38 1HD LYS 38 0.210 11.226 10.584 317 2HD LYS 38 2HD LYS 38 0.758 10.903 8.946 318 1HE LYS 38 1HE LYS 38 -1.556 11.304 8.108 319 2HE LYS 38 2HE LYS 38 -2.093 11.586 9.775 320 1HZ LYS 38 1HZ LYS 38 -1.580 13.682 8.611 321 2HZ LYS 38 2HZ LYS 38 -0.605 13.459 9.906 322 3HZ LYS 38 3HZ LYS 38 -0.031 13.184 8.398 323 H ALA 39 H ALA 39 -2.529 6.618 5.901 324 HA ALA 39 HA ALA 39 -3.561 8.992 4.457 325 1HB ALA 39 1HB ALA 39 -1.380 8.184 3.485 326 2HB ALA 39 2HB ALA 39 -2.155 6.602 3.299 327 3HB ALA 39 3HB ALA 39 -2.775 7.977 2.382 328 H LYS 40 H LYS 40 -5.351 8.507 3.092 329 HA LYS 40 HA LYS 40 -6.669 5.896 3.559 330 1HB LYS 40 1HB LYS 40 -7.651 7.930 4.835 331 2HB LYS 40 2HB LYS 40 -8.279 8.467 3.280 332 1HG LYS 40 1HG LYS 40 -8.757 5.746 4.571 333 2HG LYS 40 2HG LYS 40 -9.831 7.134 4.699 334 1HD LYS 40 1HD LYS 40 -10.520 7.007 2.435 335 2HD LYS 40 2HD LYS 40 -9.204 5.915 2.005 336 1HE LYS 40 1HE LYS 40 -10.981 4.462 2.112 337 2HE LYS 40 2HE LYS 40 -10.196 4.249 3.681 338 1HZ LYS 40 1HZ LYS 40 -11.911 5.763 4.591 339 2HZ LYS 40 2HZ LYS 40 -12.650 5.769 3.104 340 3HZ LYS 40 3HZ LYS 40 -12.506 4.388 3.972 341 H ARG 41 H ARG 41 -6.991 8.866 1.365 342 HA ARG 41 HA ARG 41 -6.790 6.988 -0.871 343 1HB ARG 41 1HB ARG 41 -8.217 9.380 -1.578 344 2HB ARG 41 2HB ARG 41 -8.626 7.709 -1.880 345 1HG ARG 41 1HG ARG 41 -10.477 8.585 -0.772 346 2HG ARG 41 2HG ARG 41 -9.622 7.749 0.506 347 1HD ARG 41 1HD ARG 41 -10.297 9.867 1.415 348 2HD ARG 41 2HD ARG 41 -8.567 10.018 1.107 349 HE ARG 41 HE ARG 41 -10.555 10.931 -0.910 350 1HH1 ARG 41 2HH2 ARG 41 -8.033 11.917 1.445 351 2HH1 ARG 41 1HH2 ARG 41 -7.906 13.505 0.762 352 1HH2 ARG 41 2HH1 ARG 41 -10.270 12.967 -1.808 353 2HH2 ARG 41 1HH1 ARG 41 -9.119 14.083 -1.166 354 HA PRO 42 HA PRO 42 -3.382 10.017 -0.920 355 1HB PRO 42 1HB PRO 42 -1.352 8.329 -1.572 356 2HB PRO 42 2HB PRO 42 -1.971 8.457 0.103 357 1HG PRO 42 1HG PRO 42 -2.689 6.386 -1.997 358 2HG PRO 42 2HG PRO 42 -2.249 6.113 -0.280 359 1HD PRO 42 1HD PRO 42 -4.833 6.222 -1.167 360 2HD PRO 42 2HD PRO 42 -4.385 6.777 0.458 361 H ARG 43 H ARG 43 -2.165 10.706 -2.818 362 HA ARG 43 HA ARG 43 -3.535 10.826 -5.174 363 1HB ARG 43 1HB ARG 43 -1.384 11.511 -6.253 364 2HB ARG 43 2HB ARG 43 -1.704 12.327 -4.725 365 1HG ARG 43 1HG ARG 43 -0.042 11.024 -3.553 366 2HG ARG 43 2HG ARG 43 0.176 9.944 -4.942 367 1HD ARG 43 1HD ARG 43 0.991 11.755 -6.302 368 2HD ARG 43 2HD ARG 43 0.863 12.890 -4.940 369 HE ARG 43 HE ARG 43 2.437 11.130 -3.796 370 1HH1 ARG 43 2HH2 ARG 43 2.667 12.464 -7.064 371 2HH1 ARG 43 1HH2 ARG 43 4.366 12.175 -7.229 372 1HH2 ARG 43 2HH1 ARG 43 4.687 10.788 -3.948 373 2HH2 ARG 43 1HH1 ARG 43 5.558 11.258 -5.369 374 H PHE 44 H PHE 44 -1.111 8.387 -4.438 375 HA PHE 44 HA PHE 44 -1.089 7.286 -7.104 376 1HB PHE 44 1HB PHE 44 0.691 5.864 -6.023 377 2HB PHE 44 2HB PHE 44 0.947 7.590 -5.903 378 HD1 PHE 44 1HD PHE 44 -0.651 4.787 -3.929 379 HD2 PHE 44 2HD PHE 44 1.606 8.465 -3.794 380 HE1 PHE 44 1HE PHE 44 -0.378 4.522 -1.519 381 HE2 PHE 44 2HE PHE 44 1.865 8.196 -1.348 382 HZ PHE 44 HZ PHE 44 0.912 6.179 -0.202 383 H LEU 45 H LEU 45 -3.498 6.794 -4.847 384 HA LEU 45 HA LEU 45 -3.458 4.263 -3.928 385 1HB LEU 45 1HB LEU 45 -5.062 6.003 -3.349 386 2HB LEU 45 2HB LEU 45 -5.728 6.007 -4.967 387 HG LEU 45 HG LEU 45 -6.482 3.645 -4.587 388 1HD1 LEU 45 1HD1 LEU 45 -6.673 2.798 -2.301 389 2HD1 LEU 45 2HD1 LEU 45 -4.964 3.109 -2.660 390 3HD1 LEU 45 3HD1 LEU 45 -5.886 4.256 -1.672 391 1HD2 LEU 45 1HD2 LEU 45 -7.503 5.872 -2.768 392 2HD2 LEU 45 2HD2 LEU 45 -8.053 5.507 -4.419 393 3HD2 LEU 45 3HD2 LEU 45 -8.412 4.393 -3.095 394 HA PRO 46 HA PRO 46 -5.374 2.139 -7.700 395 1HB PRO 46 1HB PRO 46 -5.073 3.241 -10.216 396 2HB PRO 46 2HB PRO 46 -6.535 3.400 -9.199 397 1HG PRO 46 1HG PRO 46 -4.246 5.343 -9.518 398 2HG PRO 46 2HG PRO 46 -6.013 5.684 -9.466 399 1HD PRO 46 1HD PRO 46 -4.431 6.073 -7.325 400 2HD PRO 46 2HD PRO 46 -6.092 5.441 -7.141 401 H GLU 47 H GLU 47 -2.334 3.937 -8.040 402 HA GLU 47 HA GLU 47 -1.129 1.807 -9.650 403 1HB GLU 47 1HB GLU 47 -0.233 4.474 -8.534 404 2HB GLU 47 2HB GLU 47 0.969 3.266 -9.013 405 1HG GLU 47 1HG GLU 47 0.046 3.101 -11.255 406 2HG GLU 47 2HG GLU 47 -1.333 4.118 -10.818 407 H LEU 48 H LEU 48 -1.101 2.926 -6.194 408 HA LEU 48 HA LEU 48 0.776 0.876 -5.420 409 1HB LEU 48 1HB LEU 48 0.174 2.806 -4.019 410 2HB LEU 48 2HB LEU 48 -1.404 2.103 -3.709 411 HG LEU 48 HG LEU 48 0.967 0.276 -3.274 412 1HD1 LEU 48 1HD1 LEU 48 0.553 2.532 -1.309 413 2HD1 LEU 48 2HD1 LEU 48 1.699 1.185 -1.199 414 3HD1 LEU 48 3HD1 LEU 48 1.905 2.407 -2.461 415 1HD2 LEU 48 1HD2 LEU 48 -1.429 0.944 -1.513 416 2HD2 LEU 48 2HD2 LEU 48 -1.256 -0.471 -2.586 417 3HD2 LEU 48 3HD2 LEU 48 -0.205 -0.301 -1.183 418 H ALA 49 H ALA 49 -2.759 0.918 -5.616 419 HA ALA 49 HA ALA 49 -2.928 -1.864 -4.880 420 1HB ALA 49 1HB ALA 49 -4.981 -0.437 -4.997 421 2HB ALA 49 2HB ALA 49 -4.776 -0.257 -6.742 422 3HB ALA 49 3HB ALA 49 -5.159 -1.842 -6.036 423 H ARG 50 H ARG 50 -2.666 -0.474 -8.205 424 HA ARG 50 HA ARG 50 -2.827 -3.035 -9.436 425 1HB ARG 50 1HB ARG 50 -3.080 -0.656 -10.485 426 2HB ARG 50 2HB ARG 50 -1.310 -0.683 -10.628 427 1HG ARG 50 1HG ARG 50 -1.687 -2.991 -11.790 428 2HG ARG 50 2HG ARG 50 -3.398 -2.537 -11.829 429 1HD ARG 50 1HD ARG 50 -2.642 -1.838 -13.920 430 2HD ARG 50 2HD ARG 50 -2.572 -0.345 -12.976 431 HE ARG 50 HE ARG 50 -0.243 -0.355 -13.124 432 1HH1 ARG 50 2HH2 ARG 50 -1.344 -3.695 -13.925 433 2HH1 ARG 50 1HH2 ARG 50 0.081 -4.061 -14.796 434 1HH2 ARG 50 2HH1 ARG 50 1.661 -0.904 -14.252 435 2HH2 ARG 50 1HH1 ARG 50 1.830 -2.517 -14.890 436 H ALA 51 H ALA 51 0.031 -1.115 -8.411 437 HA ALA 51 HA ALA 51 1.944 -3.003 -9.323 438 1HB ALA 51 1HB ALA 51 3.550 -1.639 -8.096 439 2HB ALA 51 2HB ALA 51 2.411 -0.579 -8.901 440 3HB ALA 51 3HB ALA 51 2.236 -0.888 -7.167 441 H LEU 52 H LEU 52 0.125 -2.648 -6.125 442 HA LEU 52 HA LEU 52 1.610 -4.743 -4.865 443 1HB LEU 52 1HB LEU 52 0.107 -3.115 -3.785 444 2HB LEU 52 2HB LEU 52 -1.276 -3.987 -4.435 445 HG LEU 52 HG LEU 52 -0.625 -5.930 -3.061 446 1HD1 LEU 52 1HD1 LEU 52 1.760 -4.177 -2.264 447 2HD1 LEU 52 2HD1 LEU 52 1.251 -5.586 -1.332 448 3HD1 LEU 52 3HD1 LEU 52 1.819 -5.804 -2.986 449 1HD2 LEU 52 1HD2 LEU 52 -1.079 -4.844 -0.890 450 2HD2 LEU 52 2HD2 LEU 52 -0.534 -3.285 -1.541 451 3HD2 LEU 52 3HD2 LEU 52 -2.005 -4.053 -2.172 452 H GLY 53 H GLY 53 -1.057 -4.665 -7.171 453 1HA GLY 53 1HA GLY 53 -1.544 -6.370 -8.736 454 2HA GLY 53 2HA GLY 53 -0.853 -7.587 -7.652 455 H VAL 54 H VAL 54 -3.208 -4.931 -6.935 456 HA VAL 54 HA VAL 54 -5.371 -6.837 -6.421 457 HB VAL 54 HB VAL 54 -5.749 -6.129 -4.164 458 1HG1 VAL 54 1HG1 VAL 54 -3.978 -7.879 -4.448 459 2HG1 VAL 54 2HG1 VAL 54 -2.744 -6.605 -4.292 460 3HG1 VAL 54 3HG1 VAL 54 -3.851 -6.953 -2.948 461 1HG2 VAL 54 1HG2 VAL 54 -3.553 -4.100 -4.602 462 2HG2 VAL 54 2HG2 VAL 54 -5.245 -3.830 -4.121 463 3HG2 VAL 54 3HG2 VAL 54 -4.117 -4.579 -2.997 464 H ALA 55 H ALA 55 -7.362 -5.397 -5.682 465 HA ALA 55 HA ALA 55 -7.747 -3.212 -7.630 466 1HB ALA 55 1HB ALA 55 -9.470 -4.952 -7.360 467 2HB ALA 55 2HB ALA 55 -9.606 -4.584 -5.629 468 3HB ALA 55 3HB ALA 55 -10.103 -3.391 -6.837 469 H VAL 56 H VAL 56 -8.695 -1.111 -6.932 470 HA VAL 56 HA VAL 56 -7.553 0.055 -4.495 471 HB VAL 56 HB VAL 56 -9.585 0.973 -6.607 472 1HG1 VAL 56 1HG1 VAL 56 -9.164 3.267 -5.585 473 2HG1 VAL 56 2HG1 VAL 56 -10.182 2.172 -4.648 474 3HG1 VAL 56 3HG1 VAL 56 -8.488 2.398 -4.179 475 1HG2 VAL 56 1HG2 VAL 56 -7.295 0.804 -7.461 476 2HG2 VAL 56 2HG2 VAL 56 -7.759 2.498 -7.281 477 3HG2 VAL 56 3HG2 VAL 56 -6.702 1.736 -6.063 478 H ASP 57 H ASP 57 -10.677 -1.360 -5.596 479 HA ASP 57 HA ASP 57 -12.043 -0.623 -3.195 480 1HB ASP 57 1HB ASP 57 -12.993 -1.447 -5.431 481 2HB ASP 57 2HB ASP 57 -12.700 -3.073 -4.823 482 H TRP 58 H TRP 58 -9.951 -3.335 -4.002 483 HA TRP 58 HA TRP 58 -10.382 -4.857 -1.561 484 1HB TRP 58 1HB TRP 58 -9.325 -5.858 -3.578 485 2HB TRP 58 2HB TRP 58 -7.968 -4.753 -3.366 486 HD1 TRP 58 HD TRP 58 -9.393 -7.939 -2.098 487 HE1 TRP 58 1HE TRP 58 -7.896 -9.013 -0.299 488 HE3 TRP 58 3HE TRP 58 -5.929 -4.242 -1.661 489 HZ2 TRP 58 2HZ TRP 58 -5.345 -8.433 0.947 490 HZ3 TRP 58 3HZ TRP 58 -3.883 -4.579 -0.264 491 HH2 TRP 58 HH TRP 58 -3.606 -6.674 1.047 492 H LEU 59 H LEU 59 -8.083 -2.293 -2.641 493 HA LEU 59 HA LEU 59 -6.668 -2.128 -0.170 494 1HB LEU 59 1HB LEU 59 -7.046 -0.342 -2.533 495 2HB LEU 59 2HB LEU 59 -6.601 0.418 -1.070 496 HG LEU 59 HG LEU 59 -5.090 -1.722 -2.583 497 1HD1 LEU 59 1HD1 LEU 59 -4.194 1.039 -1.640 498 2HD1 LEU 59 2HD1 LEU 59 -3.449 0.005 -2.880 499 3HD1 LEU 59 3HD1 LEU 59 -5.005 0.777 -3.189 500 1HD2 LEU 59 1HD2 LEU 59 -3.236 -1.444 -0.865 501 2HD2 LEU 59 2HD2 LEU 59 -4.411 -0.643 0.199 502 3HD2 LEU 59 3HD2 LEU 59 -4.617 -2.346 -0.268 503 H LEU 60 H LEU 60 -9.575 -0.352 -1.227 504 HA LEU 60 HA LEU 60 -9.843 1.184 1.138 505 1HB LEU 60 1HB LEU 60 -11.752 0.301 -1.060 506 2HB LEU 60 2HB LEU 60 -12.288 1.330 0.249 507 HG LEU 60 HG LEU 60 -9.903 2.053 -1.529 508 1HD1 LEU 60 1HD1 LEU 60 -11.414 3.491 -2.808 509 2HD1 LEU 60 2HD1 LEU 60 -11.935 1.804 -2.923 510 3HD1 LEU 60 3HD1 LEU 60 -12.797 2.926 -1.850 511 1HD2 LEU 60 1HD2 LEU 60 -11.687 3.734 0.273 512 2HD2 LEU 60 2HD2 LEU 60 -9.983 3.290 0.586 513 3HD2 LEU 60 3HD2 LEU 60 -10.384 4.353 -0.766 514 H ASN 61 H ASN 61 -11.633 -1.721 0.116 515 HA ASN 61 HA ASN 61 -12.851 -1.975 2.783 516 1HB ASN 61 1HB ASN 61 -13.320 -3.516 0.188 517 2HB ASN 61 2HB ASN 61 -14.197 -3.737 1.692 518 1HD2 ASN 61 1HD2 ASN 61 -14.160 -1.971 -1.226 519 2HD2 ASN 61 2HD2 ASN 61 -15.276 -0.716 -0.789 520 H GLY 62 H GLY 62 -10.872 -4.073 0.562 521 1HA GLY 62 1HA GLY 62 -9.654 -5.966 1.042 522 2HA GLY 62 2HA GLY 62 -9.944 -5.716 2.772 523 H ALA 63 H ALA 63 -11.343 -6.960 -0.229 524 HA ALA 63 HA ALA 63 -13.195 -8.267 -0.645 525 1HB ALA 63 1HB ALA 63 -11.216 -9.717 -0.398 526 2HB ALA 63 2HB ALA 63 -11.584 -9.929 1.331 527 3HB ALA 63 3HB ALA 63 -12.698 -10.556 0.097 Start of MODEL 3 1 1H MET 0 H MET 0 -9.587 -6.990 7.512 2 HA MET 0 HA MET 0 -8.128 -6.170 9.946 3 1HB MET 0 1HB MET 0 -6.122 -6.661 8.813 4 2HB MET 0 2HB MET 0 -7.192 -8.009 8.486 5 1HG MET 0 1HG MET 0 -6.448 -5.755 6.611 6 2HG MET 0 2HG MET 0 -5.903 -7.412 6.523 7 1HE MET 0 1HE MET 0 -6.540 -8.331 4.257 8 2HE MET 0 2HE MET 0 -7.207 -9.386 5.523 9 3HE MET 0 3HE MET 0 -8.182 -8.995 4.090 10 H LEU 1 H LEU 1 -6.447 -4.342 9.367 11 HA LEU 1 HA LEU 1 -8.018 -2.006 8.558 12 1HB LEU 1 1HB LEU 1 -5.027 -2.018 8.948 13 2HB LEU 1 2HB LEU 1 -6.110 -0.681 9.145 14 HG LEU 1 HG LEU 1 -6.043 -3.067 11.030 15 1HD1 LEU 1 1HD1 LEU 1 -3.948 -1.821 11.132 16 2HD1 LEU 1 2HD1 LEU 1 -4.837 -0.286 11.285 17 3HD1 LEU 1 3HD1 LEU 1 -4.930 -1.517 12.563 18 1HD2 LEU 1 1HD2 LEU 1 -7.457 -0.370 11.157 19 2HD2 LEU 1 2HD2 LEU 1 -8.233 -1.944 10.948 20 3HD2 LEU 1 3HD2 LEU 1 -7.415 -1.561 12.469 21 H MET 2 H MET 2 -6.784 -0.359 7.151 22 HA MET 2 HA MET 2 -6.033 -1.351 4.493 23 1HB MET 2 1HB MET 2 -6.230 1.326 5.815 24 2HB MET 2 2HB MET 2 -4.991 1.158 4.572 25 1HG MET 2 1HG MET 2 -6.505 0.624 2.896 26 2HG MET 2 2HG MET 2 -7.756 0.129 4.023 27 1HE MET 2 1HE MET 2 -5.750 3.509 2.868 28 2HE MET 2 2HE MET 2 -6.692 4.644 3.854 29 3HE MET 2 3HE MET 2 -5.715 3.423 4.648 30 H GLY 3 H GLY 3 -4.353 0.173 7.261 31 1HA GLY 3 1HA GLY 3 -1.746 -0.055 6.471 32 2HA GLY 3 2HA GLY 3 -2.310 -0.236 8.152 33 H GLU 4 H GLU 4 -3.496 -2.574 8.374 34 HA GLU 4 HA GLU 4 -1.453 -4.503 8.121 35 1HB GLU 4 1HB GLU 4 -4.026 -4.359 9.369 36 2HB GLU 4 2HB GLU 4 -4.080 -5.760 8.311 37 1HG GLU 4 1HG GLU 4 -2.056 -5.199 10.506 38 2HG GLU 4 2HG GLU 4 -3.331 -6.410 10.529 39 H ARG 5 H ARG 5 -4.269 -3.814 5.943 40 HA ARG 5 HA ARG 5 -3.978 -6.102 4.282 41 1HB ARG 5 1HB ARG 5 -5.150 -3.334 3.990 42 2HB ARG 5 2HB ARG 5 -4.608 -4.062 2.488 43 1HG ARG 5 1HG ARG 5 -5.913 -6.117 3.068 44 2HG ARG 5 2HG ARG 5 -6.542 -5.229 4.459 45 1HD ARG 5 1HD ARG 5 -6.884 -4.396 1.567 46 2HD ARG 5 2HD ARG 5 -8.051 -5.336 2.480 47 HE ARG 5 HE ARG 5 -7.850 -2.547 2.389 48 1HH1 ARG 5 2HH2 ARG 5 -8.383 -4.995 4.923 49 2HH1 ARG 5 1HH2 ARG 5 -9.286 -3.915 5.914 50 1HH2 ARG 5 2HH1 ARG 5 -9.251 -1.271 3.563 51 2HH2 ARG 5 1HH1 ARG 5 -9.901 -1.821 5.081 52 H ILE 6 H ILE 6 -2.420 -2.928 4.121 53 HA ILE 6 HA ILE 6 -0.898 -3.452 1.753 54 HB ILE 6 HB ILE 6 -0.818 -1.385 3.973 55 1HG1 ILE 6 1HG1 ILE 6 -1.568 -1.111 1.015 56 2HG1 ILE 6 2HG1 ILE 6 -2.742 -1.622 2.223 57 1HG2 ILE 6 1HG2 ILE 6 0.906 -1.372 1.455 58 2HG2 ILE 6 2HG2 ILE 6 0.690 0.003 2.569 59 3HG2 ILE 6 3HG2 ILE 6 1.475 -1.461 3.141 60 1HD1 ILE 6 1HD1 ILE 6 -1.340 1.024 2.105 61 2HD1 ILE 6 2HD1 ILE 6 -3.069 0.686 1.924 62 3HD1 ILE 6 3HD1 ILE 6 -2.299 0.490 3.511 63 H ARG 7 H ARG 7 -0.059 -3.540 5.265 64 HA ARG 7 HA ARG 7 2.640 -4.407 4.853 65 1HB ARG 7 1HB ARG 7 1.564 -3.568 7.036 66 2HB ARG 7 2HB ARG 7 0.840 -5.171 7.184 67 1HG ARG 7 1HG ARG 7 3.214 -6.125 7.036 68 2HG ARG 7 2HG ARG 7 3.812 -4.462 7.126 69 1HD ARG 7 1HD ARG 7 2.668 -4.194 9.328 70 2HD ARG 7 2HD ARG 7 2.026 -5.823 9.185 71 HE ARG 7 HE ARG 7 4.027 -6.774 9.674 72 1HH1 ARG 7 2HH2 ARG 7 4.427 -3.245 9.578 73 2HH1 ARG 7 1HH2 ARG 7 5.814 -3.215 10.614 74 1HH2 ARG 7 2HH1 ARG 7 5.992 -6.816 10.771 75 2HH2 ARG 7 1HH1 ARG 7 6.602 -5.376 11.509 76 H ALA 8 H ALA 8 -0.359 -6.296 5.361 77 HA ALA 8 HA ALA 8 0.796 -8.804 5.345 78 1HB ALA 8 1HB ALA 8 -1.523 -8.458 6.033 79 2HB ALA 8 2HB ALA 8 -1.993 -8.038 4.369 80 3HB ALA 8 3HB ALA 8 -1.447 -9.683 4.755 81 H ARG 9 H ARG 9 -0.650 -7.063 2.547 82 HA ARG 9 HA ARG 9 0.007 -9.103 0.687 83 1HB ARG 9 1HB ARG 9 -1.484 -6.779 0.638 84 2HB ARG 9 2HB ARG 9 -0.105 -6.310 -0.322 85 1HG ARG 9 1HG ARG 9 -2.097 -8.569 -0.859 86 2HG ARG 9 2HG ARG 9 -1.892 -7.080 -1.732 87 1HD ARG 9 1HD ARG 9 0.464 -7.932 -2.332 88 2HD ARG 9 2HD ARG 9 -0.033 -9.465 -1.621 89 HE ARG 9 HE ARG 9 -1.530 -8.050 -3.774 90 1HH1 ARG 9 2HH2 ARG 9 0.118 -11.020 -2.630 91 2HH1 ARG 9 1HH2 ARG 9 -0.368 -11.993 -3.948 92 1HH2 ARG 9 2HH1 ARG 9 -2.480 -9.572 -5.430 93 2HH2 ARG 9 1HH1 ARG 9 -1.930 -11.218 -5.454 94 H ARG 10 H ARG 10 1.875 -6.198 1.728 95 HA ARG 10 HA ARG 10 3.995 -6.440 -0.172 96 1HB ARG 10 1HB ARG 10 3.583 -4.494 1.424 97 2HB ARG 10 2HB ARG 10 4.128 -5.492 2.735 98 1HG ARG 10 1HG ARG 10 6.337 -5.493 2.082 99 2HG ARG 10 2HG ARG 10 5.982 -5.237 0.366 100 1HD ARG 10 1HD ARG 10 6.976 -3.194 1.598 101 2HD ARG 10 2HD ARG 10 5.532 -2.973 0.652 102 HE ARG 10 HE ARG 10 4.392 -2.326 2.408 103 1HH1 ARG 10 2HH2 ARG 10 7.215 -4.176 3.755 104 2HH1 ARG 10 1HH2 ARG 10 6.608 -3.991 5.357 105 1HH2 ARG 10 2HH1 ARG 10 3.702 -2.186 4.534 106 2HH2 ARG 10 1HH1 ARG 10 4.788 -2.657 5.780 107 H ILE 11 H ILE 11 3.738 -7.588 3.160 108 HA ILE 11 HA ILE 11 6.116 -9.113 3.286 109 HB ILE 11 HB ILE 11 3.506 -9.052 4.821 110 1HG1 ILE 11 1HG1 ILE 11 4.873 -6.993 5.031 111 2HG1 ILE 11 2HG1 ILE 11 4.819 -7.863 6.546 112 1HG2 ILE 11 1HG2 ILE 11 4.654 -10.231 6.688 113 2HG2 ILE 11 2HG2 ILE 11 4.319 -11.223 5.264 114 3HG2 ILE 11 3HG2 ILE 11 5.960 -10.625 5.548 115 1HD1 ILE 11 1HD1 ILE 11 7.138 -8.727 6.080 116 2HD1 ILE 11 2HD1 ILE 11 7.160 -7.747 4.592 117 3HD1 ILE 11 3HD1 ILE 11 7.028 -6.963 6.167 118 H GLN 12 H GLN 12 2.855 -10.026 2.231 119 HA GLN 12 HA GLN 12 3.300 -12.772 1.796 120 1HB GLN 12 1HB GLN 12 1.124 -11.309 1.517 121 2HB GLN 12 2HB GLN 12 1.706 -11.070 -0.129 122 1HG GLN 12 1HG GLN 12 1.817 -13.738 -0.083 123 2HG GLN 12 2HG GLN 12 0.679 -13.551 1.251 124 1HE2 GLN 12 1HE2 GLN 12 -1.071 -11.453 0.426 125 2HE2 GLN 12 2HE2 GLN 12 -1.726 -11.914 -1.128 126 H LEU 13 H LEU 13 4.291 -10.022 -0.165 127 HA LEU 13 HA LEU 13 5.478 -11.781 -2.241 128 1HB LEU 13 1HB LEU 13 4.342 -9.678 -2.868 129 2HB LEU 13 2HB LEU 13 5.503 -8.758 -1.908 130 HG LEU 13 HG LEU 13 7.329 -9.426 -3.411 131 1HD1 LEU 13 1HD1 LEU 13 6.825 -10.575 -5.558 132 2HD1 LEU 13 2HD1 LEU 13 6.617 -11.635 -4.173 133 3HD1 LEU 13 3HD1 LEU 13 5.185 -10.944 -4.973 134 1HD2 LEU 13 1HD2 LEU 13 6.640 -8.122 -5.333 135 2HD2 LEU 13 2HD2 LEU 13 4.920 -8.407 -4.972 136 3HD2 LEU 13 3HD2 LEU 13 5.911 -7.420 -3.879 137 H GLY 14 H GLY 14 6.284 -10.582 0.847 138 1HA GLY 14 1HA GLY 14 8.170 -10.599 2.101 139 2HA GLY 14 2HA GLY 14 8.978 -11.523 0.836 140 H LEU 15 H LEU 15 7.529 -8.293 0.251 141 HA LEU 15 HA LEU 15 10.244 -7.377 -0.601 142 1HB LEU 15 1HB LEU 15 7.366 -6.640 -1.165 143 2HB LEU 15 2HB LEU 15 8.483 -5.312 -1.071 144 HG LEU 15 HG LEU 15 8.429 -7.513 -3.073 145 1HD1 LEU 15 1HD1 LEU 15 8.392 -5.699 -4.670 146 2HD1 LEU 15 2HD1 LEU 15 7.133 -5.451 -3.440 147 3HD1 LEU 15 3HD1 LEU 15 8.629 -4.503 -3.388 148 1HD2 LEU 15 1HD2 LEU 15 10.577 -6.504 -4.066 149 2HD2 LEU 15 2HD2 LEU 15 10.918 -5.970 -2.410 150 3HD2 LEU 15 3HD2 LEU 15 10.702 -7.683 -2.763 151 H ASN 16 H ASN 16 10.860 -5.137 0.053 152 HA ASN 16 HA ASN 16 10.272 -4.587 2.923 153 1HB ASN 16 1HB ASN 16 12.127 -2.996 1.111 154 2HB ASN 16 2HB ASN 16 11.968 -2.885 2.848 155 1HD2 ASN 16 1HD2 ASN 16 14.208 -3.890 0.732 156 2HD2 ASN 16 2HD2 ASN 16 14.770 -5.345 1.527 157 H GLN 17 H GLN 17 9.660 -2.215 3.534 158 HA GLN 17 HA GLN 17 7.557 -1.105 2.066 159 1HB GLN 17 1HB GLN 17 9.669 0.210 3.842 160 2HB GLN 17 2HB GLN 17 8.241 1.050 3.249 161 1HG GLN 17 1HG GLN 17 6.806 -0.585 4.447 162 2HG GLN 17 2HG GLN 17 8.254 -1.386 5.074 163 1HE2 GLN 17 1HE2 GLN 17 6.527 -0.559 6.887 164 2HE2 GLN 17 2HE2 GLN 17 7.009 0.957 7.680 165 H ALA 18 H ALA 18 11.063 -0.247 1.865 166 HA ALA 18 HA ALA 18 10.777 1.838 0.036 167 1HB ALA 18 1HB ALA 18 12.833 1.456 1.325 168 2HB ALA 18 2HB ALA 18 13.126 -0.069 0.457 169 3HB ALA 18 3HB ALA 18 13.197 1.476 -0.409 170 H GLU 19 H GLU 19 11.056 -1.679 -0.559 171 HA GLU 19 HA GLU 19 11.477 -1.445 -3.381 172 1HB GLU 19 1HB GLU 19 10.207 -3.681 -1.759 173 2HB GLU 19 2HB GLU 19 10.894 -3.843 -3.364 174 1HG GLU 19 1HG GLU 19 12.652 -2.805 -1.118 175 2HG GLU 19 2HG GLU 19 12.154 -4.446 -1.040 176 H LEU 20 H LEU 20 8.568 -2.045 -1.377 177 HA LEU 20 HA LEU 20 6.665 -2.104 -3.526 178 1HB LEU 20 1HB LEU 20 6.089 -2.837 -1.293 179 2HB LEU 20 2HB LEU 20 6.335 -1.212 -0.645 180 HG LEU 20 HG LEU 20 4.426 -0.348 -1.956 181 1HD1 LEU 20 1HD1 LEU 20 4.111 -3.236 -2.886 182 2HD1 LEU 20 2HD1 LEU 20 2.861 -1.981 -3.050 183 3HD1 LEU 20 3HD1 LEU 20 4.384 -1.772 -3.889 184 1HD2 LEU 20 1HD2 LEU 20 4.009 -1.247 0.308 185 2HD2 LEU 20 2HD2 LEU 20 2.611 -1.418 -0.752 186 3HD2 LEU 20 3HD2 LEU 20 3.609 -2.835 -0.408 187 H ALA 21 H ALA 21 8.151 0.513 -1.641 188 HA ALA 21 HA ALA 21 6.563 2.563 -2.741 189 1HB ALA 21 1HB ALA 21 8.096 4.050 -1.680 190 2HB ALA 21 2HB ALA 21 7.998 2.652 -0.623 191 3HB ALA 21 3HB ALA 21 9.409 2.876 -1.662 192 H GLN 22 H GLN 22 9.915 1.611 -3.633 193 HA GLN 22 HA GLN 22 10.028 3.587 -5.704 194 1HB GLN 22 1HB GLN 22 11.826 1.458 -4.632 195 2HB GLN 22 2HB GLN 22 12.083 1.878 -6.324 196 1HG GLN 22 1HG GLN 22 13.498 3.186 -4.733 197 2HG GLN 22 2HG GLN 22 12.531 4.157 -5.831 198 1HE2 GLN 22 1HE2 GLN 22 11.037 5.589 -5.031 199 2HE2 GLN 22 2HE2 GLN 22 10.385 5.546 -3.417 200 H LYS 23 H LYS 23 9.134 0.032 -5.870 201 HA LYS 23 HA LYS 23 9.079 0.235 -8.719 202 1HB LYS 23 1HB LYS 23 9.063 -1.864 -8.637 203 2HB LYS 23 2HB LYS 23 9.218 -1.812 -6.934 204 1HG LYS 23 1HG LYS 23 6.462 -1.951 -8.237 205 2HG LYS 23 2HG LYS 23 7.465 -3.376 -8.012 206 1HD LYS 23 1HD LYS 23 7.541 -3.074 -5.609 207 2HD LYS 23 2HD LYS 23 6.747 -1.500 -5.746 208 1HE LYS 23 1HE LYS 23 5.110 -3.206 -5.024 209 2HE LYS 23 2HE LYS 23 4.721 -2.502 -6.563 210 1HZ LYS 23 1HZ LYS 23 6.065 -5.142 -6.243 211 2HZ LYS 23 2HZ LYS 23 4.465 -4.933 -6.589 212 3HZ LYS 23 3HZ LYS 23 5.574 -4.483 -7.661 213 H VAL 24 H VAL 24 6.921 1.482 -6.335 214 HA VAL 24 HA VAL 24 4.809 1.844 -8.396 215 HB VAL 24 HB VAL 24 4.878 2.557 -5.430 216 1HG1 VAL 24 1HG1 VAL 24 3.241 3.931 -6.704 217 2HG1 VAL 24 2HG1 VAL 24 2.543 2.454 -7.384 218 3HG1 VAL 24 3HG1 VAL 24 2.449 2.779 -5.634 219 1HG2 VAL 24 1HG2 VAL 24 3.503 0.632 -5.031 220 2HG2 VAL 24 2HG2 VAL 24 3.264 0.366 -6.784 221 3HG2 VAL 24 3HG2 VAL 24 4.811 0.008 -6.029 222 H GLY 25 H GLY 25 7.551 3.399 -6.878 223 1HA GLY 25 1HA GLY 25 8.661 5.256 -7.739 224 2HA GLY 25 2HA GLY 25 7.171 5.813 -8.514 225 H VAL 26 H VAL 26 6.731 4.840 -5.187 226 HA VAL 26 HA VAL 26 6.344 7.662 -4.451 227 HB VAL 26 HB VAL 26 4.799 6.793 -2.847 228 1HG1 VAL 26 1HG1 VAL 26 3.852 7.145 -5.060 229 2HG1 VAL 26 2HG1 VAL 26 4.369 5.534 -5.597 230 3HG1 VAL 26 3HG1 VAL 26 3.135 5.678 -4.362 231 1HG2 VAL 26 1HG2 VAL 26 5.820 4.674 -2.186 232 2HG2 VAL 26 2HG2 VAL 26 4.110 4.520 -2.572 233 3HG2 VAL 26 3HG2 VAL 26 5.315 3.972 -3.751 234 H ASP 27 H ASP 27 6.717 7.994 -1.880 235 HA ASP 27 HA ASP 27 9.466 7.343 -1.352 236 1HB ASP 27 1HB ASP 27 8.386 8.291 0.981 237 2HB ASP 27 2HB ASP 27 9.099 9.295 -0.265 238 H GLN 28 H GLN 28 10.165 6.131 0.539 239 HA GLN 28 HA GLN 28 8.715 3.694 1.177 240 1HB GLN 28 1HB GLN 28 11.192 3.966 1.393 241 2HB GLN 28 2HB GLN 28 10.916 5.128 2.700 242 1HG GLN 28 1HG GLN 28 9.551 3.173 3.837 243 2HG GLN 28 2HG GLN 28 10.345 2.152 2.634 244 1HE2 GLN 28 1HE2 GLN 28 10.860 4.443 5.317 245 2HE2 GLN 28 2HE2 GLN 28 12.583 4.025 5.537 246 H GLN 29 H GLN 29 9.085 6.925 2.606 247 HA GLN 29 HA GLN 29 7.680 6.634 4.939 248 1HB GLN 29 1HB GLN 29 8.910 8.669 4.200 249 2HB GLN 29 2HB GLN 29 7.569 9.101 3.126 250 1HG GLN 29 1HG GLN 29 6.074 9.371 5.037 251 2HG GLN 29 2HG GLN 29 7.267 8.666 6.126 252 1HE2 GLN 29 1HE2 GLN 29 6.580 11.552 4.095 253 2HE2 GLN 29 2HE2 GLN 29 7.689 12.616 4.926 254 H ALA 30 H ALA 30 6.342 7.146 1.616 255 HA ALA 30 HA ALA 30 3.635 7.434 2.298 256 1HB ALA 30 1HB ALA 30 4.574 7.780 -0.014 257 2HB ALA 30 2HB ALA 30 4.693 6.012 -0.176 258 3HB ALA 30 3HB ALA 30 3.132 6.785 0.059 259 H ILE 31 H ILE 31 5.597 4.447 2.012 260 HA ILE 31 HA ILE 31 3.263 2.727 2.225 261 HB ILE 31 HB ILE 31 6.247 2.109 2.528 262 1HG1 ILE 31 1HG1 ILE 31 6.099 2.940 0.390 263 2HG1 ILE 31 2HG1 ILE 31 6.037 1.202 0.211 264 1HG2 ILE 31 1HG2 ILE 31 3.817 0.320 2.056 265 2HG2 ILE 31 2HG2 ILE 31 5.518 -0.210 1.954 266 3HG2 ILE 31 3HG2 ILE 31 4.850 0.347 3.498 267 1HD1 ILE 31 1HD1 ILE 31 4.504 2.171 -1.353 268 2HD1 ILE 31 2HD1 ILE 31 3.525 1.420 -0.070 269 3HD1 ILE 31 3HD1 ILE 31 3.749 3.185 -0.121 270 H GLU 32 H GLU 32 5.736 4.015 4.442 271 HA GLU 32 HA GLU 32 4.987 2.549 6.813 272 1HB GLU 32 1HB GLU 32 7.129 3.754 6.430 273 2HB GLU 32 2HB GLU 32 6.278 5.279 6.321 274 1HG GLU 32 1HG GLU 32 7.060 5.446 8.441 275 2HG GLU 32 2HG GLU 32 5.485 4.786 8.780 276 H GLN 33 H GLN 33 4.056 5.827 5.660 277 HA GLN 33 HA GLN 33 2.327 6.208 7.914 278 1HB GLN 33 1HB GLN 33 1.561 8.164 6.849 279 2HB GLN 33 2HB GLN 33 3.265 8.003 6.433 280 1HG GLN 33 1HG GLN 33 2.496 6.919 4.272 281 2HG GLN 33 2HG GLN 33 0.844 7.378 4.696 282 1HE2 GLN 33 1HE2 GLN 33 4.128 8.626 4.129 283 2HE2 GLN 33 2HE2 GLN 33 3.677 10.263 3.685 284 H LEU 34 H LEU 34 1.838 4.626 4.716 285 HA LEU 34 HA LEU 34 -0.986 4.485 4.943 286 1HB LEU 34 1HB LEU 34 1.197 3.318 3.272 287 2HB LEU 34 2HB LEU 34 -0.143 2.258 3.486 288 HG LEU 34 HG LEU 34 -0.424 5.134 2.645 289 1HD1 LEU 34 1HD1 LEU 34 0.863 3.914 0.950 290 2HD1 LEU 34 2HD1 LEU 34 -0.379 2.653 0.861 291 3HD1 LEU 34 3HD1 LEU 34 -0.751 4.304 0.322 292 1HD2 LEU 34 1HD2 LEU 34 -2.653 4.706 1.907 293 2HD2 LEU 34 2HD2 LEU 34 -2.514 2.975 2.191 294 3HD2 LEU 34 3HD2 LEU 34 -2.553 4.098 3.554 295 H GLU 35 H GLU 35 1.740 2.428 6.012 296 HA GLU 35 HA GLU 35 0.297 0.175 6.995 297 1HB GLU 35 1HB GLU 35 3.004 1.340 7.686 298 2HB GLU 35 2HB GLU 35 2.251 0.155 8.727 299 1HG GLU 35 1HG GLU 35 2.002 -1.291 6.555 300 2HG GLU 35 2HG GLU 35 3.226 -0.211 5.901 301 H ASN 36 H ASN 36 1.134 3.322 8.664 302 HA ASN 36 HA ASN 36 -0.402 2.394 10.971 303 1HB ASN 36 1HB ASN 36 0.388 4.180 12.087 304 2HB ASN 36 2HB ASN 36 1.725 3.728 11.053 305 1HD2 ASN 36 1HD2 ASN 36 2.796 5.563 10.534 306 2HD2 ASN 36 2HD2 ASN 36 2.044 7.111 10.169 307 H GLY 37 H GLY 37 -1.349 3.641 8.016 308 1HA GLY 37 1HA GLY 37 -3.583 3.878 7.385 309 2HA GLY 37 2HA GLY 37 -4.041 4.261 9.045 310 H LYS 38 H LYS 38 -1.304 6.136 8.240 311 HA LYS 38 HA LYS 38 -2.874 8.509 8.519 312 1HB LYS 38 1HB LYS 38 -0.025 7.707 8.476 313 2HB LYS 38 2HB LYS 38 -0.251 9.236 7.725 314 1HG LYS 38 1HG LYS 38 -1.338 8.605 10.496 315 2HG LYS 38 2HG LYS 38 0.276 9.249 10.205 316 1HD LYS 38 1HD LYS 38 -2.338 10.642 9.506 317 2HD LYS 38 2HD LYS 38 -1.276 10.986 10.879 318 1HE LYS 38 1HE LYS 38 0.580 11.501 9.228 319 2HE LYS 38 2HE LYS 38 -0.617 11.359 7.928 320 1HZ LYS 38 1HZ LYS 38 -0.610 13.335 10.119 321 2HZ LYS 38 2HZ LYS 38 -0.408 13.641 8.523 322 3HZ LYS 38 3HZ LYS 38 -1.862 13.166 9.082 323 H ALA 39 H ALA 39 -2.135 6.767 5.530 324 HA ALA 39 HA ALA 39 -2.862 9.264 4.069 325 1HB ALA 39 1HB ALA 39 -0.764 8.281 3.283 326 2HB ALA 39 2HB ALA 39 -1.537 6.686 3.258 327 3HB ALA 39 3HB ALA 39 -2.059 7.928 2.109 328 H LYS 40 H LYS 40 -5.101 9.245 4.184 329 HA LYS 40 HA LYS 40 -6.634 6.818 4.337 330 1HB LYS 40 1HB LYS 40 -7.284 9.164 5.081 331 2HB LYS 40 2HB LYS 40 -7.653 9.537 3.398 332 1HG LYS 40 1HG LYS 40 -8.928 7.376 5.136 333 2HG LYS 40 2HG LYS 40 -9.601 8.969 4.789 334 1HD LYS 40 1HD LYS 40 -9.680 8.324 2.332 335 2HD LYS 40 2HD LYS 40 -9.262 6.658 2.844 336 1HE LYS 40 1HE LYS 40 -11.185 6.732 4.447 337 2HE LYS 40 2HE LYS 40 -11.635 8.309 3.797 338 1HZ LYS 40 1HZ LYS 40 -11.947 7.167 1.622 339 2HZ LYS 40 2HZ LYS 40 -11.699 5.707 2.431 340 3HZ LYS 40 3HZ LYS 40 -12.940 6.676 2.820 341 H ARG 41 H ARG 41 -6.316 9.170 1.568 342 HA ARG 41 HA ARG 41 -6.480 6.876 -0.295 343 1HB ARG 41 1HB ARG 41 -8.710 7.571 0.121 344 2HB ARG 41 2HB ARG 41 -8.322 9.266 0.031 345 1HG ARG 41 1HG ARG 41 -7.993 9.165 -2.415 346 2HG ARG 41 2HG ARG 41 -8.441 7.439 -2.347 347 1HD ARG 41 1HD ARG 41 -10.508 8.277 -0.985 348 2HD ARG 41 2HD ARG 41 -10.115 9.876 -1.586 349 HE ARG 41 HE ARG 41 -11.063 7.496 -3.014 350 1HH1 ARG 41 2HH2 ARG 41 -10.307 10.986 -3.303 351 2HH1 ARG 41 1HH2 ARG 41 -10.920 11.088 -4.925 352 1HH2 ARG 41 2HH1 ARG 41 -12.041 7.717 -4.921 353 2HH2 ARG 41 1HH1 ARG 41 -12.055 9.180 -5.861 354 HA PRO 42 HA PRO 42 -3.261 10.014 -1.156 355 1HB PRO 42 1HB PRO 42 -1.163 8.360 -1.751 356 2HB PRO 42 2HB PRO 42 -1.639 8.802 -0.087 357 1HG PRO 42 1HG PRO 42 -2.302 6.281 -1.619 358 2HG PRO 42 2HG PRO 42 -1.785 6.444 0.089 359 1HD PRO 42 1HD PRO 42 -4.421 6.156 -0.662 360 2HD PRO 42 2HD PRO 42 -3.954 7.090 0.776 361 H ARG 43 H ARG 43 -2.174 10.627 -3.141 362 HA ARG 43 HA ARG 43 -3.811 10.313 -5.404 363 1HB ARG 43 1HB ARG 43 -1.957 11.438 -6.682 364 2HB ARG 43 2HB ARG 43 -2.487 12.275 -5.225 365 1HG ARG 43 1HG ARG 43 -0.533 11.484 -3.986 366 2HG ARG 43 2HG ARG 43 0.017 10.519 -5.350 367 1HD ARG 43 1HD ARG 43 -0.398 13.516 -5.622 368 2HD ARG 43 2HD ARG 43 1.048 12.852 -4.848 369 HE ARG 43 HE ARG 43 1.604 11.635 -6.783 370 1HH1 ARG 43 2HH2 ARG 43 -0.599 14.395 -7.421 371 2HH1 ARG 43 1HH2 ARG 43 -0.474 14.224 -9.135 372 1HH2 ARG 43 2HH1 ARG 43 2.085 11.780 -8.983 373 2HH2 ARG 43 1HH1 ARG 43 1.155 12.775 -10.053 374 H PHE 44 H PHE 44 -0.968 8.422 -4.535 375 HA PHE 44 HA PHE 44 -0.724 7.186 -7.165 376 1HB PHE 44 1HB PHE 44 1.173 6.053 -6.114 377 2HB PHE 44 2HB PHE 44 1.233 7.790 -5.857 378 HD1 PHE 44 1HD PHE 44 1.504 8.648 -3.625 379 HD2 PHE 44 2HD PHE 44 0.181 4.587 -4.223 380 HE1 PHE 44 1HE PHE 44 1.674 8.211 -1.193 381 HE2 PHE 44 2HE PHE 44 0.290 4.184 -1.796 382 HZ PHE 44 HZ PHE 44 1.063 5.960 -0.277 383 H LEU 45 H LEU 45 -2.908 6.540 -4.557 384 HA LEU 45 HA LEU 45 -2.551 3.991 -3.827 385 1HB LEU 45 1HB LEU 45 -4.139 5.690 -2.936 386 2HB LEU 45 2HB LEU 45 -5.154 5.476 -4.359 387 HG LEU 45 HG LEU 45 -5.394 3.074 -3.713 388 1HD1 LEU 45 1HD1 LEU 45 -4.961 2.525 -1.274 389 2HD1 LEU 45 2HD1 LEU 45 -3.483 2.740 -2.230 390 3HD1 LEU 45 3HD1 LEU 45 -4.038 4.024 -1.141 391 1HD2 LEU 45 1HD2 LEU 45 -7.144 4.742 -3.221 392 2HD2 LEU 45 2HD2 LEU 45 -7.070 3.516 -1.944 393 3HD2 LEU 45 3HD2 LEU 45 -6.361 5.116 -1.672 394 HA PRO 46 HA PRO 46 -5.094 2.094 -7.392 395 1HB PRO 46 1HB PRO 46 -4.944 3.288 -9.890 396 2HB PRO 46 2HB PRO 46 -6.274 3.522 -8.723 397 1HG PRO 46 1HG PRO 46 -3.846 5.284 -9.149 398 2HG PRO 46 2HG PRO 46 -5.566 5.781 -9.023 399 1HD PRO 46 1HD PRO 46 -3.980 5.975 -6.919 400 2HD PRO 46 2HD PRO 46 -5.627 5.325 -6.700 401 H GLU 47 H GLU 47 -2.052 3.778 -8.017 402 HA GLU 47 HA GLU 47 -1.086 1.674 -9.813 403 1HB GLU 47 1HB GLU 47 -0.072 4.340 -8.781 404 2HB GLU 47 2HB GLU 47 1.103 3.161 -9.358 405 1HG GLU 47 1HG GLU 47 -1.308 4.082 -10.987 406 2HG GLU 47 2HG GLU 47 0.316 4.770 -11.106 407 H LEU 48 H LEU 48 -0.750 2.695 -6.418 408 HA LEU 48 HA LEU 48 1.202 0.698 -5.727 409 1HB LEU 48 1HB LEU 48 0.641 2.505 -4.209 410 2HB LEU 48 2HB LEU 48 -0.996 1.900 -3.983 411 HG LEU 48 HG LEU 48 1.144 -0.139 -3.501 412 1HD1 LEU 48 1HD1 LEU 48 2.299 1.874 -2.642 413 2HD1 LEU 48 2HD1 LEU 48 0.935 2.148 -1.527 414 3HD1 LEU 48 3HD1 LEU 48 1.905 0.680 -1.400 415 1HD2 LEU 48 1HD2 LEU 48 -0.187 -0.576 -1.457 416 2HD2 LEU 48 2HD2 LEU 48 -1.195 0.844 -1.800 417 3HD2 LEU 48 3HD2 LEU 48 -1.212 -0.556 -2.896 418 H ALA 49 H ALA 49 -2.378 0.675 -5.679 419 HA ALA 49 HA ALA 49 -2.627 -2.076 -4.876 420 1HB ALA 49 1HB ALA 49 -4.511 -0.578 -6.788 421 2HB ALA 49 2HB ALA 49 -4.914 -1.930 -5.718 422 3HB ALA 49 3HB ALA 49 -4.529 -0.341 -5.036 423 H ARG 50 H ARG 50 -2.326 -0.721 -8.217 424 HA ARG 50 HA ARG 50 -2.545 -3.200 -9.540 425 1HB ARG 50 1HB ARG 50 -2.574 -0.914 -10.580 426 2HB ARG 50 2HB ARG 50 -0.825 -0.795 -10.331 427 1HG ARG 50 1HG ARG 50 -0.480 -2.784 -11.781 428 2HG ARG 50 2HG ARG 50 -2.229 -2.961 -11.935 429 1HD ARG 50 1HD ARG 50 -1.764 -1.833 -13.892 430 2HD ARG 50 2HD ARG 50 -2.169 -0.484 -12.836 431 HE ARG 50 HE ARG 50 -0.047 0.292 -12.968 432 1HH1 ARG 50 2HH2 ARG 50 -0.119 -3.075 -14.218 433 2HH1 ARG 50 1HH2 ARG 50 1.444 -3.021 -14.924 434 1HH2 ARG 50 2HH1 ARG 50 2.105 0.355 -14.049 435 2HH2 ARG 50 1HH1 ARG 50 2.642 -1.047 -14.915 436 H ALA 51 H ALA 51 0.413 -1.548 -8.280 437 HA ALA 51 HA ALA 51 2.115 -3.671 -9.103 438 1HB ALA 51 1HB ALA 51 3.843 -2.438 -8.218 439 2HB ALA 51 2HB ALA 51 2.683 -1.179 -8.597 440 3HB ALA 51 3HB ALA 51 2.832 -1.744 -6.913 441 H LEU 52 H LEU 52 0.315 -3.118 -6.135 442 HA LEU 52 HA LEU 52 1.393 -5.231 -4.525 443 1HB LEU 52 1HB LEU 52 -0.493 -3.293 -4.162 444 2HB LEU 52 2HB LEU 52 -1.541 -4.609 -4.411 445 HG LEU 52 HG LEU 52 -0.159 -5.796 -2.567 446 1HD1 LEU 52 1HD1 LEU 52 1.119 -4.303 -1.027 447 2HD1 LEU 52 2HD1 LEU 52 1.887 -4.406 -2.606 448 3HD1 LEU 52 3HD1 LEU 52 0.928 -2.969 -2.183 449 1HD2 LEU 52 1HD2 LEU 52 -2.326 -4.817 -2.098 450 2HD2 LEU 52 2HD2 LEU 52 -1.255 -4.393 -0.757 451 3HD2 LEU 52 3HD2 LEU 52 -1.629 -3.184 -2.001 452 H GLY 53 H GLY 53 -1.270 -5.042 -6.880 453 1HA GLY 53 1HA GLY 53 -2.091 -6.734 -8.295 454 2HA GLY 53 2HA GLY 53 -1.327 -7.983 -7.290 455 H VAL 54 H VAL 54 -3.519 -5.147 -6.683 456 HA VAL 54 HA VAL 54 -5.706 -6.876 -5.955 457 HB VAL 54 HB VAL 54 -6.182 -5.881 -3.802 458 1HG1 VAL 54 1HG1 VAL 54 -4.483 -6.828 -2.375 459 2HG1 VAL 54 2HG1 VAL 54 -4.730 -7.885 -3.759 460 3HG1 VAL 54 3HG1 VAL 54 -3.298 -6.822 -3.691 461 1HG2 VAL 54 1HG2 VAL 54 -3.705 -4.210 -4.246 462 2HG2 VAL 54 2HG2 VAL 54 -5.372 -3.682 -3.959 463 3HG2 VAL 54 3HG2 VAL 54 -4.463 -4.431 -2.660 464 H ALA 55 H ALA 55 -7.658 -5.206 -5.471 465 HA ALA 55 HA ALA 55 -7.478 -2.960 -7.427 466 1HB ALA 55 1HB ALA 55 -9.447 -4.476 -7.526 467 2HB ALA 55 2HB ALA 55 -9.846 -4.041 -5.848 468 3HB ALA 55 3HB ALA 55 -9.906 -2.813 -7.125 469 H VAL 56 H VAL 56 -8.307 -0.804 -6.699 470 HA VAL 56 HA VAL 56 -7.508 0.154 -4.085 471 HB VAL 56 HB VAL 56 -9.368 1.181 -6.279 472 1HG1 VAL 56 1HG1 VAL 56 -8.400 2.594 -3.771 473 2HG1 VAL 56 2HG1 VAL 56 -9.150 3.412 -5.172 474 3HG1 VAL 56 3HG1 VAL 56 -10.079 2.243 -4.233 475 1HG2 VAL 56 1HG2 VAL 56 -6.524 1.944 -5.489 476 2HG2 VAL 56 2HG2 VAL 56 -7.015 1.072 -6.955 477 3HG2 VAL 56 3HG2 VAL 56 -7.500 2.757 -6.736 478 H ASP 57 H ASP 57 -10.477 -1.244 -5.537 479 HA ASP 57 HA ASP 57 -12.157 -0.707 -3.346 480 1HB ASP 57 1HB ASP 57 -12.707 -1.631 -5.725 481 2HB ASP 57 2HB ASP 57 -12.295 -3.218 -5.069 482 H TRP 58 H TRP 58 -9.890 -3.403 -3.819 483 HA TRP 58 HA TRP 58 -10.560 -4.800 -1.375 484 1HB TRP 58 1HB TRP 58 -9.249 -5.801 -3.271 485 2HB TRP 58 2HB TRP 58 -7.959 -4.676 -2.902 486 HD1 TRP 58 HD TRP 58 -9.612 -7.775 -1.639 487 HE1 TRP 58 1HE TRP 58 -7.952 -9.120 -0.178 488 HE3 TRP 58 3HE TRP 58 -6.015 -4.249 -1.124 489 HZ2 TRP 58 2HZ TRP 58 -5.421 -8.656 1.092 490 HZ3 TRP 58 3HZ TRP 58 -3.927 -4.729 0.181 491 HH2 TRP 58 HH TRP 58 -3.649 -6.940 1.296 492 H LEU 59 H LEU 59 -8.107 -2.331 -2.336 493 HA LEU 59 HA LEU 59 -6.878 -2.184 0.221 494 1HB LEU 59 1HB LEU 59 -7.054 -0.365 -2.145 495 2HB LEU 59 2HB LEU 59 -6.462 0.315 -0.678 496 HG LEU 59 HG LEU 59 -5.313 -2.081 -2.167 497 1HD1 LEU 59 1HD1 LEU 59 -3.904 0.515 -1.518 498 2HD1 LEU 59 2HD1 LEU 59 -3.516 -0.691 -2.758 499 3HD1 LEU 59 3HD1 LEU 59 -4.929 0.366 -2.959 500 1HD2 LEU 59 1HD2 LEU 59 -4.842 -2.528 0.199 501 2HD2 LEU 59 2HD2 LEU 59 -3.374 -1.923 -0.551 502 3HD2 LEU 59 3HD2 LEU 59 -4.365 -0.840 0.458 503 H LEU 60 H LEU 60 -9.721 -0.395 -1.021 504 HA LEU 60 HA LEU 60 -10.086 1.108 1.408 505 1HB LEU 60 1HB LEU 60 -11.858 0.403 -0.957 506 2HB LEU 60 2HB LEU 60 -12.445 1.363 0.389 507 HG LEU 60 HG LEU 60 -9.997 2.111 -1.296 508 1HD1 LEU 60 1HD1 LEU 60 -12.024 2.065 -2.689 509 2HD1 LEU 60 2HD1 LEU 60 -12.862 3.105 -1.524 510 3HD1 LEU 60 3HD1 LEU 60 -11.466 3.725 -2.441 511 1HD2 LEU 60 1HD2 LEU 60 -10.005 3.227 0.914 512 2HD2 LEU 60 2HD2 LEU 60 -10.308 4.377 -0.390 513 3HD2 LEU 60 3HD2 LEU 60 -11.662 3.803 0.609 514 H ASN 61 H ASN 61 -11.911 -1.700 0.084 515 HA ASN 61 HA ASN 61 -13.301 -1.893 2.664 516 1HB ASN 61 1HB ASN 61 -13.972 -3.247 0.034 517 2HB ASN 61 2HB ASN 61 -15.014 -2.977 1.429 518 1HD2 ASN 61 1HD2 ASN 61 -13.866 -1.593 -1.547 519 2HD2 ASN 61 2HD2 ASN 61 -14.728 -0.092 -1.404 520 H GLY 62 H GLY 62 -10.987 -3.805 0.884 521 1HA GLY 62 1HA GLY 62 -9.864 -5.649 1.406 522 2HA GLY 62 2HA GLY 62 -10.200 -5.127 3.046 523 H ALA 63 H ALA 63 -12.076 -6.753 0.490 524 HA ALA 63 HA ALA 63 -13.057 -8.808 0.412 525 1HB ALA 63 1HB ALA 63 -11.219 -10.558 0.650 526 2HB ALA 63 2HB ALA 63 -10.895 -9.209 -0.451 527 3HB ALA 63 3HB ALA 63 -10.154 -9.248 1.172 Start of MODEL 4 1 1H MET 0 H MET 0 -9.228 -6.496 10.855 2 HA MET 0 HA MET 0 -7.313 -5.656 10.002 3 1HB MET 0 1HB MET 0 -6.540 -6.195 7.725 4 2HB MET 0 2HB MET 0 -6.916 -7.622 8.682 5 1HG MET 0 1HG MET 0 -8.913 -6.467 6.715 6 2HG MET 0 2HG MET 0 -7.623 -7.552 6.203 7 1HE MET 0 1HE MET 0 -10.654 -9.945 5.902 8 2HE MET 0 2HE MET 0 -10.711 -8.201 5.584 9 3HE MET 0 3HE MET 0 -9.295 -9.147 5.078 10 H LEU 1 H LEU 1 -6.538 -4.017 8.386 11 HA LEU 1 HA LEU 1 -8.674 -2.051 7.707 12 1HB LEU 1 1HB LEU 1 -6.051 -1.478 9.074 13 2HB LEU 1 2HB LEU 1 -7.303 -0.311 8.736 14 HG LEU 1 HG LEU 1 -7.579 -2.592 10.748 15 1HD1 LEU 1 1HD1 LEU 1 -7.363 -0.827 12.438 16 2HD1 LEU 1 2HD1 LEU 1 -5.925 -0.894 11.403 17 3HD1 LEU 1 3HD1 LEU 1 -7.118 0.385 11.159 18 1HD2 LEU 1 1HD2 LEU 1 -9.601 -1.365 11.475 19 2HD2 LEU 1 2HD2 LEU 1 -9.371 -0.196 10.158 20 3HD2 LEU 1 3HD2 LEU 1 -9.765 -1.894 9.804 21 H MET 2 H MET 2 -7.211 -0.096 6.665 22 HA MET 2 HA MET 2 -6.342 -1.148 4.113 23 1HB MET 2 1HB MET 2 -7.006 1.449 5.346 24 2HB MET 2 2HB MET 2 -5.748 1.538 4.104 25 1HG MET 2 1HG MET 2 -7.176 0.918 2.429 26 2HG MET 2 2HG MET 2 -8.140 -0.113 3.470 27 1HE MET 2 1HE MET 2 -8.658 4.491 3.190 28 2HE MET 2 2HE MET 2 -7.229 3.741 3.930 29 3HE MET 2 3HE MET 2 -7.546 3.537 2.188 30 H GLY 3 H GLY 3 -4.676 0.730 6.717 31 1HA GLY 3 1HA GLY 3 -2.098 0.548 5.562 32 2HA GLY 3 2HA GLY 3 -2.429 0.753 7.295 33 H GLU 4 H GLU 4 -3.648 -1.539 8.001 34 HA GLU 4 HA GLU 4 -1.638 -3.519 8.152 35 1HB GLU 4 1HB GLU 4 -4.666 -3.791 8.389 36 2HB GLU 4 2HB GLU 4 -3.509 -5.059 8.813 37 1HG GLU 4 1HG GLU 4 -2.483 -3.579 10.511 38 2HG GLU 4 2HG GLU 4 -3.634 -2.295 10.100 39 H ARG 5 H ARG 5 -4.288 -3.194 5.764 40 HA ARG 5 HA ARG 5 -3.934 -5.686 4.420 41 1HB ARG 5 1HB ARG 5 -5.256 -3.046 3.836 42 2HB ARG 5 2HB ARG 5 -4.707 -3.923 2.429 43 1HG ARG 5 1HG ARG 5 -5.932 -5.932 3.219 44 2HG ARG 5 2HG ARG 5 -6.525 -5.009 4.586 45 1HD ARG 5 1HD ARG 5 -6.954 -4.211 1.675 46 2HD ARG 5 2HD ARG 5 -8.060 -5.247 2.559 47 HE ARG 5 HE ARG 5 -8.044 -2.446 2.543 48 1HH1 ARG 5 2HH2 ARG 5 -8.245 -4.949 5.009 49 2HH1 ARG 5 1HH2 ARG 5 -9.765 -4.413 5.652 50 1HH2 ARG 5 2HH1 ARG 5 -9.877 -1.456 3.735 51 2HH2 ARG 5 1HH1 ARG 5 -10.400 -2.244 5.189 52 H ILE 6 H ILE 6 -2.564 -2.458 3.817 53 HA ILE 6 HA ILE 6 -0.994 -3.233 1.584 54 HB ILE 6 HB ILE 6 -0.689 -0.956 3.589 55 1HG1 ILE 6 1HG1 ILE 6 -1.722 -0.692 0.744 56 2HG1 ILE 6 2HG1 ILE 6 -2.813 -1.266 1.976 57 1HG2 ILE 6 1HG2 ILE 6 0.683 0.188 1.854 58 2HG2 ILE 6 2HG2 ILE 6 1.461 -1.279 2.444 59 3HG2 ILE 6 3HG2 ILE 6 0.656 -1.294 0.865 60 1HD1 ILE 6 1HD1 ILE 6 -1.446 1.422 1.954 61 2HD1 ILE 6 2HD1 ILE 6 -3.177 1.057 1.819 62 3HD1 ILE 6 3HD1 ILE 6 -2.345 0.782 3.350 63 H ARG 7 H ARG 7 -0.129 -3.008 5.095 64 HA ARG 7 HA ARG 7 2.527 -3.928 4.787 65 1HB ARG 7 1HB ARG 7 1.398 -2.907 6.823 66 2HB ARG 7 2HB ARG 7 0.639 -4.455 7.147 67 1HG ARG 7 1HG ARG 7 3.649 -4.052 6.960 68 2HG ARG 7 2HG ARG 7 2.735 -3.846 8.447 69 1HD ARG 7 1HD ARG 7 1.918 -6.234 8.195 70 2HD ARG 7 2HD ARG 7 3.112 -6.445 6.908 71 HE ARG 7 HE ARG 7 3.562 -6.398 9.733 72 1HH1 ARG 7 2HH2 ARG 7 5.191 -5.609 6.726 73 2HH1 ARG 7 1HH2 ARG 7 6.762 -5.473 7.475 74 1HH2 ARG 7 2HH1 ARG 7 5.537 -6.443 10.655 75 2HH2 ARG 7 1HH1 ARG 7 6.995 -6.467 9.708 76 H ALA 8 H ALA 8 -0.457 -5.808 5.405 77 HA ALA 8 HA ALA 8 0.885 -8.286 5.705 78 1HB ALA 8 1HB ALA 8 -2.006 -7.676 4.946 79 2HB ALA 8 2HB ALA 8 -1.386 -9.257 5.466 80 3HB ALA 8 3HB ALA 8 -1.369 -7.886 6.594 81 H ARG 9 H ARG 9 -0.705 -6.769 2.860 82 HA ARG 9 HA ARG 9 -0.159 -8.992 1.127 83 1HB ARG 9 1HB ARG 9 -1.794 -6.934 0.910 84 2HB ARG 9 2HB ARG 9 -0.408 -6.146 0.180 85 1HG ARG 9 1HG ARG 9 -1.946 -8.599 -0.788 86 2HG ARG 9 2HG ARG 9 -1.850 -7.019 -1.525 87 1HD ARG 9 1HD ARG 9 0.698 -7.529 -1.801 88 2HD ARG 9 2HD ARG 9 0.257 -9.175 -1.319 89 HE ARG 9 HE ARG 9 -1.112 -7.838 -3.573 90 1HH1 ARG 9 2HH2 ARG 9 1.399 -10.146 -2.605 91 2HH1 ARG 9 1HH2 ARG 9 1.143 -11.239 -3.917 92 1HH2 ARG 9 2HH1 ARG 9 -1.629 -9.513 -5.278 93 2HH2 ARG 9 1HH1 ARG 9 -0.564 -10.869 -5.404 94 H ARG 10 H ARG 10 1.725 -5.939 1.935 95 HA ARG 10 HA ARG 10 3.809 -6.402 0.145 96 1HB ARG 10 1HB ARG 10 3.474 -4.496 2.171 97 2HB ARG 10 2HB ARG 10 4.583 -5.598 2.920 98 1HG ARG 10 1HG ARG 10 6.157 -5.404 1.105 99 2HG ARG 10 2HG ARG 10 5.027 -4.526 0.095 100 1HD ARG 10 1HD ARG 10 6.930 -3.205 1.417 101 2HD ARG 10 2HD ARG 10 5.337 -2.543 1.178 102 HE ARG 10 HE ARG 10 4.776 -2.662 3.280 103 1HH1 ARG 10 2HH2 ARG 10 7.642 -4.859 3.067 104 2HH1 ARG 10 1HH2 ARG 10 7.853 -4.838 4.780 105 1HH2 ARG 10 2HH1 ARG 10 4.938 -2.902 5.393 106 2HH2 ARG 10 1HH1 ARG 10 6.205 -3.807 6.143 107 H ILE 11 H ILE 11 3.376 -7.788 3.434 108 HA ILE 11 HA ILE 11 5.770 -9.365 3.305 109 HB ILE 11 HB ILE 11 3.240 -9.405 4.992 110 1HG1 ILE 11 1HG1 ILE 11 4.727 -7.536 5.443 111 2HG1 ILE 11 2HG1 ILE 11 4.732 -8.643 6.805 112 1HG2 ILE 11 1HG2 ILE 11 4.320 -10.962 6.582 113 2HG2 ILE 11 2HG2 ILE 11 3.872 -11.718 5.058 114 3HG2 ILE 11 3HG2 ILE 11 5.571 -11.314 5.376 115 1HD1 ILE 11 1HD1 ILE 11 6.993 -7.920 6.466 116 2HD1 ILE 11 2HD1 ILE 11 6.935 -9.591 5.902 117 3HD1 ILE 11 3HD1 ILE 11 6.932 -8.248 4.733 118 H GLN 12 H GLN 12 2.384 -10.109 2.385 119 HA GLN 12 HA GLN 12 2.827 -12.760 1.570 120 1HB GLN 12 1HB GLN 12 0.650 -11.263 1.551 121 2HB GLN 12 2HB GLN 12 1.166 -10.815 -0.064 122 1HG GLN 12 1HG GLN 12 1.282 -13.648 -0.025 123 2HG GLN 12 2HG GLN 12 -0.161 -13.240 0.882 124 1HE2 GLN 12 1HE2 GLN 12 -1.565 -11.459 -0.205 125 2HE2 GLN 12 2HE2 GLN 12 -1.764 -11.526 -1.948 126 H LEU 13 H LEU 13 3.622 -9.764 -0.050 127 HA LEU 13 HA LEU 13 4.696 -11.132 -2.403 128 1HB LEU 13 1HB LEU 13 3.307 -9.009 -2.375 129 2HB LEU 13 2HB LEU 13 4.701 -8.182 -1.700 130 HG LEU 13 HG LEU 13 5.982 -8.627 -3.769 131 1HD1 LEU 13 1HD1 LEU 13 3.491 -10.118 -4.724 132 2HD1 LEU 13 2HD1 LEU 13 4.846 -9.636 -5.755 133 3HD1 LEU 13 3HD1 LEU 13 5.113 -10.807 -4.481 134 1HD2 LEU 13 1HD2 LEU 13 4.505 -6.636 -3.672 135 2HD2 LEU 13 2HD2 LEU 13 4.534 -7.323 -5.316 136 3HD2 LEU 13 3HD2 LEU 13 3.145 -7.607 -4.272 137 H GLY 14 H GLY 14 5.780 -10.468 0.678 138 1HA GLY 14 1HA GLY 14 7.679 -10.917 1.761 139 2HA GLY 14 2HA GLY 14 8.309 -11.650 0.303 140 H LEU 15 H LEU 15 7.414 -8.212 0.217 141 HA LEU 15 HA LEU 15 10.283 -7.646 -0.006 142 1HB LEU 15 1HB LEU 15 10.032 -6.644 -1.920 143 2HB LEU 15 2HB LEU 15 8.736 -7.785 -2.114 144 HG LEU 15 HG LEU 15 8.289 -4.970 -1.014 145 1HD1 LEU 15 1HD1 LEU 15 7.674 -4.295 -3.374 146 2HD1 LEU 15 2HD1 LEU 15 9.385 -4.708 -3.265 147 3HD1 LEU 15 3HD1 LEU 15 8.264 -5.873 -3.952 148 1HD2 LEU 15 1HD2 LEU 15 6.486 -6.605 -0.775 149 2HD2 LEU 15 2HD2 LEU 15 6.036 -5.291 -1.885 150 3HD2 LEU 15 3HD2 LEU 15 6.524 -6.880 -2.516 151 H ASN 16 H ASN 16 10.989 -5.439 0.190 152 HA ASN 16 HA ASN 16 10.146 -4.592 2.842 153 1HB ASN 16 1HB ASN 16 12.205 -3.238 1.064 154 2HB ASN 16 2HB ASN 16 11.896 -2.846 2.720 155 1HD2 ASN 16 1HD2 ASN 16 13.214 -5.561 0.673 156 2HD2 ASN 16 2HD2 ASN 16 14.259 -6.048 1.976 157 H GLN 17 H GLN 17 9.722 -2.312 3.431 158 HA GLN 17 HA GLN 17 7.683 -1.019 1.962 159 1HB GLN 17 1HB GLN 17 9.574 -0.138 4.202 160 2HB GLN 17 2HB GLN 17 8.240 0.876 3.640 161 1HG GLN 17 1HG GLN 17 6.641 -0.983 4.132 162 2HG GLN 17 2HG GLN 17 7.991 -2.014 4.633 163 1HE2 GLN 17 1HE2 GLN 17 6.926 1.193 5.338 164 2HE2 GLN 17 2HE2 GLN 17 6.861 1.082 7.115 165 H ALA 18 H ALA 18 11.211 -0.406 2.083 166 HA ALA 18 HA ALA 18 11.342 1.784 0.360 167 1HB ALA 18 1HB ALA 18 13.306 -0.533 0.723 168 2HB ALA 18 2HB ALA 18 13.670 1.031 -0.031 169 3HB ALA 18 3HB ALA 18 13.245 0.959 1.685 170 H GLU 19 H GLU 19 11.462 -1.716 -0.401 171 HA GLU 19 HA GLU 19 11.913 -1.281 -3.207 172 1HB GLU 19 1HB GLU 19 10.898 -3.769 -1.763 173 2HB GLU 19 2HB GLU 19 11.474 -3.663 -3.439 174 1HG GLU 19 1HG GLU 19 13.619 -2.576 -2.301 175 2HG GLU 19 2HG GLU 19 12.999 -3.337 -0.849 176 H LEU 20 H LEU 20 8.972 -2.140 -1.358 177 HA LEU 20 HA LEU 20 7.169 -2.124 -3.552 178 1HB LEU 20 1HB LEU 20 6.518 -2.869 -1.257 179 2HB LEU 20 2HB LEU 20 6.655 -1.202 -0.687 180 HG LEU 20 HG LEU 20 4.863 -0.548 -2.354 181 1HD1 LEU 20 1HD1 LEU 20 5.043 -2.469 -3.907 182 2HD1 LEU 20 2HD1 LEU 20 4.497 -3.569 -2.614 183 3HD1 LEU 20 3HD1 LEU 20 3.405 -2.326 -3.263 184 1HD2 LEU 20 1HD2 LEU 20 4.320 -0.994 0.031 185 2HD2 LEU 20 2HD2 LEU 20 2.992 -1.274 -1.083 186 3HD2 LEU 20 3HD2 LEU 20 3.860 -2.654 -0.424 187 H ALA 21 H ALA 21 8.232 0.562 -1.414 188 HA ALA 21 HA ALA 21 6.848 2.604 -2.678 189 1HB ALA 21 1HB ALA 21 8.595 4.108 -1.805 190 2HB ALA 21 2HB ALA 21 8.015 2.960 -0.590 191 3HB ALA 21 3HB ALA 21 9.592 2.725 -1.367 192 H GLN 22 H GLN 22 10.123 1.389 -3.466 193 HA GLN 22 HA GLN 22 10.815 3.258 -5.417 194 1HB GLN 22 1HB GLN 22 12.084 1.119 -4.267 195 2HB GLN 22 2HB GLN 22 11.662 0.378 -5.791 196 1HG GLN 22 1HG GLN 22 13.837 1.262 -6.056 197 2HG GLN 22 2HG GLN 22 12.795 2.384 -6.932 198 1HE2 GLN 22 1HE2 GLN 22 13.155 4.556 -6.427 199 2HE2 GLN 22 2HE2 GLN 22 13.881 5.134 -4.942 200 H LYS 23 H LYS 23 9.149 0.042 -5.799 201 HA LYS 23 HA LYS 23 9.072 0.287 -8.620 202 1HB LYS 23 1HB LYS 23 8.522 -1.836 -8.503 203 2HB LYS 23 2HB LYS 23 9.028 -1.740 -6.840 204 1HG LYS 23 1HG LYS 23 6.621 -1.363 -6.202 205 2HG LYS 23 2HG LYS 23 6.176 -1.591 -7.916 206 1HD LYS 23 1HD LYS 23 7.278 -3.852 -7.793 207 2HD LYS 23 2HD LYS 23 7.487 -3.601 -6.037 208 1HE LYS 23 1HE LYS 23 5.023 -3.224 -5.807 209 2HE LYS 23 2HE LYS 23 4.838 -3.360 -7.544 210 1HZ LYS 23 1HZ LYS 23 4.291 -5.437 -6.628 211 2HZ LYS 23 2HZ LYS 23 5.697 -5.641 -7.413 212 3HZ LYS 23 3HZ LYS 23 5.715 -5.569 -5.774 213 H VAL 24 H VAL 24 6.663 1.032 -6.017 214 HA VAL 24 HA VAL 24 4.552 1.585 -7.919 215 HB VAL 24 HB VAL 24 4.842 2.509 -5.061 216 1HG1 VAL 24 1HG1 VAL 24 2.935 3.486 -6.343 217 2HG1 VAL 24 2HG1 VAL 24 2.415 1.851 -6.786 218 3HG1 VAL 24 3HG1 VAL 24 2.354 2.389 -5.083 219 1HG2 VAL 24 1HG2 VAL 24 4.248 0.585 -4.126 220 2HG2 VAL 24 2HG2 VAL 24 3.103 0.142 -5.363 221 3HG2 VAL 24 3HG2 VAL 24 4.805 -0.218 -5.606 222 H GLY 25 H GLY 25 7.364 3.343 -6.665 223 1HA GLY 25 1HA GLY 25 8.262 5.314 -7.463 224 2HA GLY 25 2HA GLY 25 6.793 5.605 -8.409 225 H VAL 26 H VAL 26 6.726 4.862 -4.982 226 HA VAL 26 HA VAL 26 6.011 7.617 -4.303 227 HB VAL 26 HB VAL 26 4.780 6.665 -2.523 228 1HG1 VAL 26 1HG1 VAL 26 2.932 5.538 -3.733 229 2HG1 VAL 26 2HG1 VAL 26 3.537 6.956 -4.599 230 3HG1 VAL 26 3HG1 VAL 26 3.968 5.316 -5.134 231 1HG2 VAL 26 1HG2 VAL 26 5.992 4.622 -1.995 232 2HG2 VAL 26 2HG2 VAL 26 4.271 4.299 -2.220 233 3HG2 VAL 26 3HG2 VAL 26 5.413 3.897 -3.516 234 H ASP 27 H ASP 27 6.741 7.946 -1.790 235 HA ASP 27 HA ASP 27 9.540 7.290 -1.560 236 1HB ASP 27 1HB ASP 27 8.749 8.345 0.830 237 2HB ASP 27 2HB ASP 27 9.350 9.274 -0.524 238 H GLN 28 H GLN 28 10.429 5.971 0.149 239 HA GLN 28 HA GLN 28 9.132 3.646 1.123 240 1HB GLN 28 1HB GLN 28 11.573 4.110 1.353 241 2HB GLN 28 2HB GLN 28 11.197 5.272 2.640 242 1HG GLN 28 1HG GLN 28 9.896 3.286 3.779 243 2HG GLN 28 2HG GLN 28 10.710 2.269 2.612 244 1HE2 GLN 28 1HE2 GLN 28 11.020 4.284 5.483 245 2HE2 GLN 28 2HE2 GLN 28 12.668 3.839 5.846 246 H GLN 29 H GLN 29 9.350 6.902 2.550 247 HA GLN 29 HA GLN 29 7.892 6.449 4.882 248 1HB GLN 29 1HB GLN 29 9.273 8.476 4.364 249 2HB GLN 29 2HB GLN 29 7.957 9.056 3.318 250 1HG GLN 29 1HG GLN 29 6.417 9.086 5.217 251 2HG GLN 29 2HG GLN 29 7.610 8.304 6.257 252 1HE2 GLN 29 1HE2 GLN 29 7.436 10.083 7.760 253 2HE2 GLN 29 2HE2 GLN 29 8.258 11.600 7.451 254 H ALA 30 H ALA 30 6.673 7.241 1.580 255 HA ALA 30 HA ALA 30 4.005 7.654 2.329 256 1HB ALA 30 1HB ALA 30 4.914 8.119 0.052 257 2HB ALA 30 2HB ALA 30 4.958 6.364 -0.249 258 3HB ALA 30 3HB ALA 30 3.419 7.181 0.034 259 H ILE 31 H ILE 31 5.770 4.542 1.750 260 HA ILE 31 HA ILE 31 3.352 2.962 2.098 261 HB ILE 31 HB ILE 31 6.285 2.179 2.362 262 1HG1 ILE 31 1HG1 ILE 31 5.953 2.927 0.128 263 2HG1 ILE 31 2HG1 ILE 31 6.021 1.182 0.120 264 1HG2 ILE 31 1HG2 ILE 31 3.801 0.434 2.130 265 2HG2 ILE 31 2HG2 ILE 31 5.476 -0.145 1.994 266 3HG2 ILE 31 3HG2 ILE 31 4.894 0.553 3.505 267 1HD1 ILE 31 1HD1 ILE 31 3.463 1.183 -0.046 268 2HD1 ILE 31 2HD1 ILE 31 3.550 2.946 -0.222 269 3HD1 ILE 31 3HD1 ILE 31 4.310 1.894 -1.431 270 H GLU 32 H GLU 32 6.015 4.058 4.255 271 HA GLU 32 HA GLU 32 5.178 2.504 6.510 272 1HB GLU 32 1HB GLU 32 7.418 3.443 6.426 273 2HB GLU 32 2HB GLU 32 6.786 5.069 6.224 274 1HG GLU 32 1HG GLU 32 7.637 4.761 8.476 275 2HG GLU 32 2HG GLU 32 5.918 5.120 8.476 276 H GLN 33 H GLN 33 4.326 5.858 5.561 277 HA GLN 33 HA GLN 33 2.652 6.235 7.869 278 1HB GLN 33 1HB GLN 33 1.927 8.225 6.900 279 2HB GLN 33 2HB GLN 33 3.629 8.056 6.465 280 1HG GLN 33 1HG GLN 33 2.935 7.216 4.257 281 2HG GLN 33 2HG GLN 33 1.233 7.464 4.679 282 1HE2 GLN 33 1HE2 GLN 33 2.144 8.782 2.380 283 2HE2 GLN 33 2HE2 GLN 33 2.310 10.477 2.771 284 H LEU 34 H LEU 34 2.073 4.806 4.589 285 HA LEU 34 HA LEU 34 -0.770 4.923 4.832 286 1HB LEU 34 1HB LEU 34 1.335 3.668 3.086 287 2HB LEU 34 2HB LEU 34 -0.145 2.779 3.174 288 HG LEU 34 HG LEU 34 -0.137 5.763 2.715 289 1HD1 LEU 34 1HD1 LEU 34 1.195 4.609 0.914 290 2HD1 LEU 34 2HD1 LEU 34 -0.156 3.497 0.626 291 3HD1 LEU 34 3HD1 LEU 34 -0.333 5.230 0.274 292 1HD2 LEU 34 1HD2 LEU 34 -2.294 5.488 1.683 293 2HD2 LEU 34 2HD2 LEU 34 -2.241 3.725 1.904 294 3HD2 LEU 34 3HD2 LEU 34 -2.347 4.811 3.308 295 H GLU 35 H GLU 35 1.695 2.510 5.558 296 HA GLU 35 HA GLU 35 -0.048 0.448 6.507 297 1HB GLU 35 1HB GLU 35 2.912 0.973 6.877 298 2HB GLU 35 2HB GLU 35 2.070 -0.456 7.520 299 1HG GLU 35 1HG GLU 35 1.245 -1.008 5.246 300 2HG GLU 35 2HG GLU 35 2.117 0.356 4.572 301 H ASN 36 H ASN 36 1.275 3.352 8.142 302 HA ASN 36 HA ASN 36 0.473 2.547 10.794 303 1HB ASN 36 1HB ASN 36 1.380 5.013 9.322 304 2HB ASN 36 2HB ASN 36 0.429 5.266 10.732 305 1HD2 ASN 36 1HD2 ASN 36 3.487 4.479 9.528 306 2HD2 ASN 36 2HD2 ASN 36 4.344 4.358 11.040 307 H GLY 37 H GLY 37 -1.317 3.397 7.949 308 1HA GLY 37 1HA GLY 37 -3.505 3.976 7.629 309 2HA GLY 37 2HA GLY 37 -3.799 4.023 9.373 310 H LYS 38 H LYS 38 -0.983 5.791 8.377 311 HA LYS 38 HA LYS 38 -2.097 8.221 9.486 312 1HB LYS 38 1HB LYS 38 0.584 7.140 8.679 313 2HB LYS 38 2HB LYS 38 0.357 8.816 8.330 314 1HG LYS 38 1HG LYS 38 -0.474 8.283 11.070 315 2HG LYS 38 2HG LYS 38 1.079 7.531 10.743 316 1HD LYS 38 1HD LYS 38 1.547 9.691 11.582 317 2HD LYS 38 2HD LYS 38 1.965 9.671 9.865 318 1HE LYS 38 1HE LYS 38 -0.298 10.697 9.348 319 2HE LYS 38 2HE LYS 38 -0.634 10.762 11.088 320 1HZ LYS 38 1HZ LYS 38 0.106 12.862 10.312 321 2HZ LYS 38 2HZ LYS 38 1.287 12.251 11.283 322 3HZ LYS 38 3HZ LYS 38 1.474 12.250 9.645 323 H ALA 39 H ALA 39 -1.285 7.039 6.031 324 HA ALA 39 HA ALA 39 -2.707 9.474 5.114 325 1HB ALA 39 1HB ALA 39 -0.741 8.782 3.774 326 2HB ALA 39 2HB ALA 39 -1.475 7.168 3.596 327 3HB ALA 39 3HB ALA 39 -2.261 8.585 2.878 328 H LYS 40 H LYS 40 -4.794 9.322 4.546 329 HA LYS 40 HA LYS 40 -6.307 6.896 5.218 330 1HB LYS 40 1HB LYS 40 -7.069 9.213 5.691 331 2HB LYS 40 2HB LYS 40 -7.286 9.518 3.979 332 1HG LYS 40 1HG LYS 40 -8.692 7.238 5.464 333 2HG LYS 40 2HG LYS 40 -9.286 8.899 5.427 334 1HD LYS 40 1HD LYS 40 -9.362 8.782 2.916 335 2HD LYS 40 2HD LYS 40 -8.930 7.073 3.017 336 1HE LYS 40 1HE LYS 40 -11.379 7.515 2.722 337 2HE LYS 40 2HE LYS 40 -10.972 6.494 4.104 338 1HZ LYS 40 1HZ LYS 40 -12.647 8.272 4.525 339 2HZ LYS 40 2HZ LYS 40 -11.399 8.250 5.578 340 3HZ LYS 40 3HZ LYS 40 -11.439 9.393 4.395 341 H ARG 41 H ARG 41 -6.415 8.895 2.232 342 HA ARG 41 HA ARG 41 -6.227 6.387 0.633 343 1HB ARG 41 1HB ARG 41 -8.436 7.202 0.394 344 2HB ARG 41 2HB ARG 41 -7.931 8.878 0.276 345 1HG ARG 41 1HG ARG 41 -6.826 7.042 -1.824 346 2HG ARG 41 2HG ARG 41 -8.553 7.323 -1.889 347 1HD ARG 41 1HD ARG 41 -6.565 9.625 -1.782 348 2HD ARG 41 2HD ARG 41 -7.070 8.875 -3.282 349 HE ARG 41 HE ARG 41 -8.705 10.518 -1.442 350 1HH1 ARG 41 2HH2 ARG 41 -8.500 8.904 -4.608 351 2HH1 ARG 41 1HH2 ARG 41 -10.081 9.435 -5.094 352 1HH2 ARG 41 2HH1 ARG 41 -10.709 11.117 -2.041 353 2HH2 ARG 41 1HH1 ARG 41 -11.480 10.608 -3.519 354 HA PRO 42 HA PRO 42 -2.704 8.996 -0.651 355 1HB PRO 42 1HB PRO 42 -1.444 7.238 -2.254 356 2HB PRO 42 2HB PRO 42 -1.389 7.081 -0.469 357 1HG PRO 42 1HG PRO 42 -3.077 5.550 -2.458 358 2HG PRO 42 2HG PRO 42 -2.240 4.916 -1.017 359 1HD PRO 42 1HD PRO 42 -4.945 5.654 -1.155 360 2HD PRO 42 2HD PRO 42 -4.027 5.532 0.359 361 H ARG 43 H ARG 43 -2.386 10.145 -2.685 362 HA ARG 43 HA ARG 43 -4.396 10.202 -4.629 363 1HB ARG 43 1HB ARG 43 -2.995 11.489 -5.971 364 2HB ARG 43 2HB ARG 43 -2.401 11.806 -4.343 365 1HG ARG 43 1HG ARG 43 -0.569 10.109 -4.775 366 2HG ARG 43 2HG ARG 43 -1.178 9.975 -6.444 367 1HD ARG 43 1HD ARG 43 -0.749 12.458 -6.664 368 2HD ARG 43 2HD ARG 43 0.181 12.330 -5.154 369 HE ARG 43 HE ARG 43 0.761 10.400 -7.338 370 1HH1 ARG 43 2HH2 ARG 43 1.985 13.326 -5.635 371 2HH1 ARG 43 1HH2 ARG 43 3.511 13.180 -6.440 372 1HH2 ARG 43 2HH1 ARG 43 2.640 10.422 -8.409 373 2HH2 ARG 43 1HH1 ARG 43 3.703 11.800 -8.368 374 H PHE 44 H PHE 44 -1.485 8.248 -4.583 375 HA PHE 44 HA PHE 44 -1.794 7.120 -7.163 376 1HB PHE 44 1HB PHE 44 0.351 5.969 -6.485 377 2HB PHE 44 2HB PHE 44 0.352 7.703 -6.326 378 HD1 PHE 44 1HD PHE 44 -0.228 4.613 -4.284 379 HD2 PHE 44 2HD PHE 44 1.146 8.692 -4.322 380 HE1 PHE 44 1HE PHE 44 0.455 4.403 -1.911 381 HE2 PHE 44 2HE PHE 44 1.776 8.497 -1.949 382 HZ PHE 44 HZ PHE 44 1.400 6.362 -0.715 383 H LEU 45 H LEU 45 -3.897 6.345 -5.006 384 HA LEU 45 HA LEU 45 -3.616 3.795 -4.062 385 1HB LEU 45 1HB LEU 45 -5.341 5.429 -3.468 386 2HB LEU 45 2HB LEU 45 -6.027 5.366 -5.083 387 HG LEU 45 HG LEU 45 -6.711 3.057 -4.727 388 1HD1 LEU 45 1HD1 LEU 45 -4.992 2.354 -3.072 389 2HD1 LEU 45 2HD1 LEU 45 -5.702 3.430 -1.860 390 3HD1 LEU 45 3HD1 LEU 45 -6.623 2.045 -2.466 391 1HD2 LEU 45 1HD2 LEU 45 -8.243 4.926 -4.145 392 2HD2 LEU 45 2HD2 LEU 45 -8.493 3.554 -3.051 393 3HD2 LEU 45 3HD2 LEU 45 -7.579 4.953 -2.493 394 HA PRO 46 HA PRO 46 -5.169 1.621 -7.978 395 1HB PRO 46 1HB PRO 46 -5.035 2.851 -10.430 396 2HB PRO 46 2HB PRO 46 -6.459 2.926 -9.348 397 1HG PRO 46 1HG PRO 46 -4.241 4.951 -9.624 398 2HG PRO 46 2HG PRO 46 -6.019 5.230 -9.666 399 1HD PRO 46 1HD PRO 46 -4.604 5.635 -7.428 400 2HD PRO 46 2HD PRO 46 -6.213 4.858 -7.343 401 H GLU 47 H GLU 47 -2.339 3.787 -8.126 402 HA GLU 47 HA GLU 47 -0.794 2.073 -9.902 403 1HB GLU 47 1HB GLU 47 -0.079 4.356 -8.015 404 2HB GLU 47 2HB GLU 47 1.047 3.542 -9.061 405 1HG GLU 47 1HG GLU 47 0.375 4.694 -10.884 406 2HG GLU 47 2HG GLU 47 -1.336 4.447 -10.558 407 H LEU 48 H LEU 48 -1.105 2.737 -6.396 408 HA LEU 48 HA LEU 48 0.809 0.820 -5.492 409 1HB LEU 48 1HB LEU 48 -0.058 2.537 -4.006 410 2HB LEU 48 2HB LEU 48 -1.702 1.915 -4.159 411 HG LEU 48 HG LEU 48 -0.969 -0.218 -3.052 412 1HD1 LEU 48 1HD1 LEU 48 1.414 -0.279 -3.582 413 2HD1 LEU 48 2HD1 LEU 48 1.687 1.243 -2.696 414 3HD1 LEU 48 3HD1 LEU 48 1.191 -0.229 -1.833 415 1HD2 LEU 48 1HD2 LEU 48 -0.336 2.297 -1.476 416 2HD2 LEU 48 2HD2 LEU 48 -1.957 1.617 -1.749 417 3HD2 LEU 48 3HD2 LEU 48 -0.764 0.710 -0.810 418 H ALA 49 H ALA 49 -2.734 0.609 -5.942 419 HA ALA 49 HA ALA 49 -2.816 -2.120 -5.139 420 1HB ALA 49 1HB ALA 49 -4.863 -0.598 -5.438 421 2HB ALA 49 2HB ALA 49 -4.685 -0.787 -7.192 422 3HB ALA 49 3HB ALA 49 -5.058 -2.191 -6.170 423 H ARG 50 H ARG 50 -2.387 -0.837 -8.490 424 HA ARG 50 HA ARG 50 -2.314 -3.439 -9.650 425 1HB ARG 50 1HB ARG 50 -2.465 -1.112 -10.804 426 2HB ARG 50 2HB ARG 50 -0.701 -1.077 -10.708 427 1HG ARG 50 1HG ARG 50 -0.643 -3.271 -11.961 428 2HG ARG 50 2HG ARG 50 -2.417 -3.256 -11.986 429 1HD ARG 50 1HD ARG 50 -1.742 -2.485 -14.109 430 2HD ARG 50 2HD ARG 50 -2.346 -1.086 -13.219 431 HE ARG 50 HE ARG 50 0.588 -1.685 -13.275 432 1HH1 ARG 50 2HH2 ARG 50 -2.019 0.509 -14.217 433 2HH1 ARG 50 1HH2 ARG 50 -1.009 1.510 -15.206 434 1HH2 ARG 50 2HH1 ARG 50 2.010 -0.073 -14.250 435 2HH2 ARG 50 1HH1 ARG 50 1.272 1.168 -15.199 436 H ALA 51 H ALA 51 0.337 -1.352 -8.383 437 HA ALA 51 HA ALA 51 2.454 -3.118 -9.010 438 1HB ALA 51 1HB ALA 51 3.680 -1.768 -7.248 439 2HB ALA 51 2HB ALA 51 2.834 -0.770 -8.429 440 3HB ALA 51 3HB ALA 51 2.129 -1.030 -6.827 441 H LEU 52 H LEU 52 0.356 -2.883 -6.048 442 HA LEU 52 HA LEU 52 1.737 -4.879 -4.565 443 1HB LEU 52 1HB LEU 52 0.033 -3.101 -3.878 444 2HB LEU 52 2HB LEU 52 -1.208 -4.231 -4.336 445 HG LEU 52 HG LEU 52 -0.432 -5.731 -2.586 446 1HD1 LEU 52 1HD1 LEU 52 1.363 -4.996 -0.940 447 2HD1 LEU 52 2HD1 LEU 52 2.001 -5.460 -2.515 448 3HD1 LEU 52 3HD1 LEU 52 1.826 -3.735 -2.092 449 1HD2 LEU 52 1HD2 LEU 52 -0.883 -4.211 -0.639 450 2HD2 LEU 52 2HD2 LEU 52 -0.548 -2.821 -1.678 451 3HD2 LEU 52 3HD2 LEU 52 -1.941 -3.870 -2.018 452 H GLY 53 H GLY 53 -1.052 -4.959 -6.793 453 1HA GLY 53 1HA GLY 53 -1.631 -6.717 -8.251 454 2HA GLY 53 2HA GLY 53 -0.741 -7.875 -7.241 455 H VAL 54 H VAL 54 -3.295 -5.372 -6.629 456 HA VAL 54 HA VAL 54 -5.280 -7.372 -6.003 457 HB VAL 54 HB VAL 54 -5.917 -6.470 -3.836 458 1HG1 VAL 54 1HG1 VAL 54 -4.223 -7.339 -2.399 459 2HG1 VAL 54 2HG1 VAL 54 -4.242 -8.334 -3.862 460 3HG1 VAL 54 3HG1 VAL 54 -2.964 -7.122 -3.636 461 1HG2 VAL 54 1HG2 VAL 54 -4.195 -4.953 -2.634 462 2HG2 VAL 54 2HG2 VAL 54 -3.626 -4.538 -4.252 463 3HG2 VAL 54 3HG2 VAL 54 -5.318 -4.232 -3.796 464 H ALA 55 H ALA 55 -7.447 -5.958 -5.574 465 HA ALA 55 HA ALA 55 -7.450 -3.819 -7.607 466 1HB ALA 55 1HB ALA 55 -9.874 -3.768 -7.227 467 2HB ALA 55 2HB ALA 55 -9.341 -5.434 -7.491 468 3HB ALA 55 3HB ALA 55 -9.695 -4.852 -5.839 469 H VAL 56 H VAL 56 -8.378 -1.705 -7.161 470 HA VAL 56 HA VAL 56 -7.588 -0.331 -4.743 471 HB VAL 56 HB VAL 56 -9.570 0.214 -7.020 472 1HG1 VAL 56 1HG1 VAL 56 -8.796 2.022 -4.718 473 2HG1 VAL 56 2HG1 VAL 56 -9.508 2.622 -6.238 474 3HG1 VAL 56 3HG1 VAL 56 -10.420 1.517 -5.206 475 1HG2 VAL 56 1HG2 VAL 56 -7.218 0.228 -7.725 476 2HG2 VAL 56 2HG2 VAL 56 -7.836 1.881 -7.706 477 3HG2 VAL 56 3HG2 VAL 56 -6.797 1.316 -6.384 478 H ASP 57 H ASP 57 -10.653 -1.988 -5.752 479 HA ASP 57 HA ASP 57 -12.085 -1.135 -3.439 480 1HB ASP 57 1HB ASP 57 -12.928 -2.296 -5.642 481 2HB ASP 57 2HB ASP 57 -12.618 -3.800 -4.768 482 H TRP 58 H TRP 58 -9.840 -3.856 -3.957 483 HA TRP 58 HA TRP 58 -10.435 -5.163 -1.426 484 1HB TRP 58 1HB TRP 58 -9.240 -6.355 -3.258 485 2HB TRP 58 2HB TRP 58 -7.909 -5.208 -3.075 486 HD1 TRP 58 HD TRP 58 -9.484 -8.174 -1.470 487 HE1 TRP 58 1HE TRP 58 -8.022 -9.146 0.428 488 HE3 TRP 58 3HE TRP 58 -5.938 -4.559 -1.347 489 HZ2 TRP 58 2HZ TRP 58 -5.597 -8.387 1.783 490 HZ3 TRP 58 3HZ TRP 58 -3.935 -4.795 0.149 491 HH2 TRP 58 HH TRP 58 -3.800 -6.712 1.729 492 H LEU 59 H LEU 59 -8.031 -2.776 -2.655 493 HA LEU 59 HA LEU 59 -6.629 -2.482 -0.231 494 1HB LEU 59 1HB LEU 59 -6.915 -0.963 -2.750 495 2HB LEU 59 2HB LEU 59 -6.526 -0.021 -1.352 496 HG LEU 59 HG LEU 59 -4.947 -2.276 -2.575 497 1HD1 LEU 59 1HD1 LEU 59 -4.231 0.568 -1.747 498 2HD1 LEU 59 2HD1 LEU 59 -3.245 -0.526 -2.751 499 3HD1 LEU 59 3HD1 LEU 59 -4.789 0.116 -3.368 500 1HD2 LEU 59 1HD2 LEU 59 -4.607 -2.699 -0.168 501 2HD2 LEU 59 2HD2 LEU 59 -3.188 -1.878 -0.787 502 3HD2 LEU 59 3HD2 LEU 59 -4.402 -0.967 0.139 503 H LEU 60 H LEU 60 -9.463 -0.661 -1.384 504 HA LEU 60 HA LEU 60 -9.605 0.972 0.977 505 1HB LEU 60 1HB LEU 60 -11.546 0.273 -1.250 506 2HB LEU 60 2HB LEU 60 -12.028 1.296 0.090 507 HG LEU 60 HG LEU 60 -9.600 1.890 -1.674 508 1HD1 LEU 60 1HD1 LEU 60 -11.641 1.871 -3.045 509 2HD1 LEU 60 2HD1 LEU 60 -12.413 3.011 -1.931 510 3HD1 LEU 60 3HD1 LEU 60 -10.997 3.510 -2.878 511 1HD2 LEU 60 1HD2 LEU 60 -11.176 3.660 0.249 512 2HD2 LEU 60 2HD2 LEU 60 -9.513 3.078 0.476 513 3HD2 LEU 60 3HD2 LEU 60 -9.871 4.216 -0.825 514 H ASN 61 H ASN 61 -11.636 -1.798 -0.059 515 HA ASN 61 HA ASN 61 -12.889 -1.756 2.597 516 1HB ASN 61 1HB ASN 61 -13.719 -3.142 0.030 517 2HB ASN 61 2HB ASN 61 -14.684 -2.965 1.495 518 1HD2 ASN 61 1HD2 ASN 61 -14.026 -1.562 -1.532 519 2HD2 ASN 61 2HD2 ASN 61 -14.532 0.115 -1.150 520 H GLY 62 H GLY 62 -10.865 -4.002 0.683 521 1HA GLY 62 1HA GLY 62 -9.765 -5.836 1.403 522 2HA GLY 62 2HA GLY 62 -10.336 -5.472 3.035 523 H ALA 63 H ALA 63 -11.800 -6.590 -0.022 524 HA ALA 63 HA ALA 63 -13.245 -8.274 -0.532 525 1HB ALA 63 1HB ALA 63 -11.152 -9.454 -0.637 526 2HB ALA 63 2HB ALA 63 -11.127 -9.711 1.117 527 3HB ALA 63 3HB ALA 63 -12.329 -10.540 0.114 Start of MODEL 5 1 1H MET 0 H MET 0 -9.887 -5.580 6.753 2 HA MET 0 HA MET 0 -9.143 -5.358 9.487 3 1HB MET 0 1HB MET 0 -6.771 -5.589 9.317 4 2HB MET 0 2HB MET 0 -7.530 -7.085 8.780 5 1HG MET 0 1HG MET 0 -6.413 -4.949 6.954 6 2HG MET 0 2HG MET 0 -5.521 -6.362 7.477 7 1HE MET 0 1HE MET 0 -7.041 -9.297 5.525 8 2HE MET 0 2HE MET 0 -5.608 -8.686 6.385 9 3HE MET 0 3HE MET 0 -7.161 -8.834 7.234 10 H LEU 1 H LEU 1 -7.465 -3.374 9.607 11 HA LEU 1 HA LEU 1 -8.592 -1.186 8.017 12 1HB LEU 1 1HB LEU 1 -6.278 -0.170 9.233 13 2HB LEU 1 2HB LEU 1 -7.945 0.048 9.674 14 HG LEU 1 HG LEU 1 -7.755 -1.862 11.288 15 1HD1 LEU 1 1HD1 LEU 1 -5.496 -2.609 11.950 16 2HD1 LEU 1 2HD1 LEU 1 -5.827 -3.048 10.289 17 3HD1 LEU 1 3HD1 LEU 1 -4.775 -1.659 10.623 18 1HD2 LEU 1 1HD2 LEU 1 -6.437 -0.563 12.934 19 2HD2 LEU 1 2HD2 LEU 1 -5.786 0.450 11.624 20 3HD2 LEU 1 3HD2 LEU 1 -7.519 0.477 12.010 21 H MET 2 H MET 2 -7.027 0.344 6.850 22 HA MET 2 HA MET 2 -5.749 -0.986 4.710 23 1HB MET 2 1HB MET 2 -5.763 1.816 5.729 24 2HB MET 2 2HB MET 2 -4.388 1.367 4.734 25 1HG MET 2 1HG MET 2 -5.903 2.182 3.169 26 2HG MET 2 2HG MET 2 -6.058 0.438 3.032 27 1HE MET 2 1HE MET 2 -8.324 3.798 3.734 28 2HE MET 2 2HE MET 2 -8.903 3.220 5.304 29 3HE MET 2 3HE MET 2 -7.165 3.419 5.028 30 H GLY 3 H GLY 3 -4.199 0.567 7.558 31 1HA GLY 3 1HA GLY 3 -1.603 0.133 6.958 32 2HA GLY 3 2HA GLY 3 -2.209 0.031 8.618 33 H GLU 4 H GLU 4 -3.537 -2.300 8.790 34 HA GLU 4 HA GLU 4 -1.463 -4.298 8.758 35 1HB GLU 4 1HB GLU 4 -4.425 -4.285 9.333 36 2HB GLU 4 2HB GLU 4 -3.664 -5.830 9.061 37 1HG GLU 4 1HG GLU 4 -2.471 -3.899 11.067 38 2HG GLU 4 2HG GLU 4 -3.805 -4.973 11.490 39 H ARG 5 H ARG 5 -4.260 -3.674 6.571 40 HA ARG 5 HA ARG 5 -4.022 -6.003 4.995 41 1HB ARG 5 1HB ARG 5 -5.935 -4.630 4.800 42 2HB ARG 5 2HB ARG 5 -5.027 -3.161 4.509 43 1HG ARG 5 1HG ARG 5 -4.449 -3.779 2.320 44 2HG ARG 5 2HG ARG 5 -4.913 -5.470 2.645 45 1HD ARG 5 1HD ARG 5 -6.441 -4.224 1.122 46 2HD ARG 5 2HD ARG 5 -7.201 -5.030 2.482 47 HE ARG 5 HE ARG 5 -7.083 -2.179 1.882 48 1HH1 ARG 5 2HH2 ARG 5 -7.800 -4.532 4.451 49 2HH1 ARG 5 1HH2 ARG 5 -8.929 -3.486 5.232 50 1HH2 ARG 5 2HH1 ARG 5 -8.545 -0.853 2.892 51 2HH2 ARG 5 1HH1 ARG 5 -9.433 -1.379 4.287 52 H ILE 6 H ILE 6 -2.436 -2.863 4.712 53 HA ILE 6 HA ILE 6 -0.964 -3.407 2.322 54 HB ILE 6 HB ILE 6 -0.914 -1.339 4.533 55 1HG1 ILE 6 1HG1 ILE 6 -1.533 -1.175 1.529 56 2HG1 ILE 6 2HG1 ILE 6 -2.758 -1.481 2.757 57 1HG2 ILE 6 1HG2 ILE 6 0.704 0.026 3.254 58 2HG2 ILE 6 2HG2 ILE 6 1.391 -1.445 3.899 59 3HG2 ILE 6 3HG2 ILE 6 0.989 -1.356 2.159 60 1HD1 ILE 6 1HD1 ILE 6 -2.119 0.714 3.847 61 2HD1 ILE 6 2HD1 ILE 6 -1.140 1.030 2.387 62 3HD1 ILE 6 3HD1 ILE 6 -2.896 0.812 2.251 63 H ARG 7 H ARG 7 0.007 -3.428 5.843 64 HA ARG 7 HA ARG 7 2.666 -4.256 5.301 65 1HB ARG 7 1HB ARG 7 1.668 -3.509 7.562 66 2HB ARG 7 2HB ARG 7 1.054 -5.151 7.708 67 1HG ARG 7 1HG ARG 7 2.997 -5.583 8.730 68 2HG ARG 7 2HG ARG 7 3.630 -5.732 7.096 69 1HD ARG 7 1HD ARG 7 4.208 -3.263 7.232 70 2HD ARG 7 2HD ARG 7 3.815 -3.361 8.975 71 HE ARG 7 HE ARG 7 5.450 -5.513 8.388 72 1HH1 ARG 7 2HH2 ARG 7 5.889 -1.951 8.640 73 2HH1 ARG 7 1HH2 ARG 7 7.574 -2.133 9.019 74 1HH2 ARG 7 2HH1 ARG 7 7.624 -5.611 8.638 75 2HH2 ARG 7 1HH1 ARG 7 8.650 -4.172 8.699 76 H ALA 8 H ALA 8 -0.269 -6.197 5.974 77 HA ALA 8 HA ALA 8 0.908 -8.722 5.957 78 1HB ALA 8 1HB ALA 8 -1.364 -9.600 5.520 79 2HB ALA 8 2HB ALA 8 -1.379 -8.331 6.758 80 3HB ALA 8 3HB ALA 8 -1.926 -7.965 5.106 81 H ARG 9 H ARG 9 -0.720 -7.047 3.179 82 HA ARG 9 HA ARG 9 -0.009 -9.178 1.382 83 1HB ARG 9 1HB ARG 9 -1.950 -7.871 1.041 84 2HB ARG 9 2HB ARG 9 -1.000 -6.370 0.961 85 1HG ARG 9 1HG ARG 9 -1.772 -6.958 -1.223 86 2HG ARG 9 2HG ARG 9 -0.017 -7.077 -1.130 87 1HD ARG 9 1HD ARG 9 -0.127 -9.509 -1.084 88 2HD ARG 9 2HD ARG 9 -1.898 -9.429 -1.055 89 HE ARG 9 HE ARG 9 -0.401 -8.127 -3.305 90 1HH1 ARG 9 2HH2 ARG 9 -2.593 -10.750 -2.253 91 2HH1 ARG 9 1HH2 ARG 9 -3.130 -11.108 -3.856 92 1HH2 ARG 9 2HH1 ARG 9 -0.851 -8.843 -5.360 93 2HH2 ARG 9 1HH1 ARG 9 -2.162 -9.943 -5.697 94 H ARG 10 H ARG 10 1.718 -6.125 2.216 95 HA ARG 10 HA ARG 10 3.712 -6.278 0.177 96 1HB ARG 10 1HB ARG 10 3.400 -4.438 1.769 97 2HB ARG 10 2HB ARG 10 3.895 -5.420 3.110 98 1HG ARG 10 1HG ARG 10 6.106 -5.417 2.605 99 2HG ARG 10 2HG ARG 10 5.884 -5.200 0.866 100 1HD ARG 10 1HD ARG 10 6.825 -3.137 2.294 101 2HD ARG 10 2HD ARG 10 5.691 -2.933 1.007 102 HE ARG 10 HE ARG 10 4.029 -2.356 2.418 103 1HH1 ARG 10 2HH2 ARG 10 6.666 -3.552 4.602 104 2HH1 ARG 10 1HH2 ARG 10 5.958 -2.612 5.900 105 1HH2 ARG 10 2HH1 ARG 10 3.118 -1.506 4.179 106 2HH2 ARG 10 1HH1 ARG 10 4.051 -1.525 5.630 107 H ILE 11 H ILE 11 3.643 -7.590 3.425 108 HA ILE 11 HA ILE 11 5.991 -9.226 3.187 109 HB ILE 11 HB ILE 11 3.596 -9.341 5.037 110 1HG1 ILE 11 1HG1 ILE 11 4.985 -7.281 5.228 111 2HG1 ILE 11 2HG1 ILE 11 5.050 -8.262 6.674 112 1HG2 ILE 11 1HG2 ILE 11 5.081 -10.675 6.572 113 2HG2 ILE 11 2HG2 ILE 11 4.497 -11.551 5.154 114 3HG2 ILE 11 3HG2 ILE 11 6.163 -10.951 5.189 115 1HD1 ILE 11 1HD1 ILE 11 7.307 -9.054 6.043 116 2HD1 ILE 11 2HD1 ILE 11 7.233 -8.121 4.530 117 3HD1 ILE 11 3HD1 ILE 11 7.235 -7.291 6.088 118 H GLN 12 H GLN 12 2.595 -9.982 2.456 119 HA GLN 12 HA GLN 12 2.933 -12.694 1.740 120 1HB GLN 12 1HB GLN 12 0.818 -11.204 1.916 121 2HB GLN 12 2HB GLN 12 1.122 -10.788 0.225 122 1HG GLN 12 1HG GLN 12 0.820 -13.122 -0.415 123 2HG GLN 12 2HG GLN 12 0.681 -13.601 1.279 124 1HE2 GLN 12 1HE2 GLN 12 -1.124 -12.619 -1.438 125 2HE2 GLN 12 2HE2 GLN 12 -2.661 -12.458 -0.597 126 H LEU 13 H LEU 13 3.583 -9.763 -0.102 127 HA LEU 13 HA LEU 13 4.636 -11.194 -2.440 128 1HB LEU 13 1HB LEU 13 3.418 -9.053 -2.636 129 2HB LEU 13 2HB LEU 13 4.651 -8.248 -1.668 130 HG LEU 13 HG LEU 13 6.330 -8.611 -3.423 131 1HD1 LEU 13 1HD1 LEU 13 5.659 -9.504 -5.630 132 2HD1 LEU 13 2HD1 LEU 13 5.552 -10.746 -4.399 133 3HD1 LEU 13 3HD1 LEU 13 4.067 -9.952 -4.985 134 1HD2 LEU 13 1HD2 LEU 13 4.888 -6.603 -3.476 135 2HD2 LEU 13 2HD2 LEU 13 5.407 -7.123 -5.097 136 3HD2 LEU 13 3HD2 LEU 13 3.752 -7.460 -4.550 137 H GLY 14 H GLY 14 5.784 -10.457 0.655 138 1HA GLY 14 1HA GLY 14 7.743 -10.689 1.718 139 2HA GLY 14 2HA GLY 14 8.345 -11.560 0.311 140 H LEU 15 H LEU 15 7.246 -8.114 0.308 141 HA LEU 15 HA LEU 15 10.038 -7.385 -0.534 142 1HB LEU 15 1HB LEU 15 7.216 -6.508 -1.255 143 2HB LEU 15 2HB LEU 15 8.428 -5.253 -1.132 144 HG LEU 15 HG LEU 15 8.422 -7.556 -3.004 145 1HD1 LEU 15 1HD1 LEU 15 8.453 -5.816 -4.727 146 2HD1 LEU 15 2HD1 LEU 15 7.112 -5.540 -3.597 147 3HD1 LEU 15 3HD1 LEU 15 8.585 -4.550 -3.492 148 1HD2 LEU 15 1HD2 LEU 15 10.686 -7.625 -2.643 149 2HD2 LEU 15 2HD2 LEU 15 10.624 -6.424 -3.923 150 3HD2 LEU 15 3HD2 LEU 15 10.806 -5.915 -2.229 151 H ASN 16 H ASN 16 10.710 -5.178 0.124 152 HA ASN 16 HA ASN 16 10.033 -4.611 2.959 153 1HB ASN 16 1HB ASN 16 12.098 -3.223 1.225 154 2HB ASN 16 2HB ASN 16 11.854 -3.050 2.948 155 1HD2 ASN 16 1HD2 ASN 16 13.397 -5.089 0.499 156 2HD2 ASN 16 2HD2 ASN 16 14.117 -6.122 1.696 157 H GLN 17 H GLN 17 9.670 -2.110 3.547 158 HA GLN 17 HA GLN 17 7.580 -0.970 2.129 159 1HB GLN 17 1HB GLN 17 9.820 0.366 3.744 160 2HB GLN 17 2HB GLN 17 8.313 1.150 3.342 161 1HG GLN 17 1HG GLN 17 7.080 -0.484 4.694 162 2HG GLN 17 2HG GLN 17 8.576 -1.353 5.073 163 1HE2 GLN 17 1HE2 GLN 17 6.641 -0.012 6.752 164 2HE2 GLN 17 2HE2 GLN 17 7.503 1.185 7.768 165 H ALA 18 H ALA 18 11.092 -0.158 1.839 166 HA ALA 18 HA ALA 18 10.672 1.891 -0.023 167 1HB ALA 18 1HB ALA 18 13.047 1.701 -0.531 168 2HB ALA 18 2HB ALA 18 12.796 1.514 1.211 169 3HB ALA 18 3HB ALA 18 13.106 0.081 0.200 170 H GLU 19 H GLU 19 10.976 -1.588 -0.563 171 HA GLU 19 HA GLU 19 11.341 -1.366 -3.426 172 1HB GLU 19 1HB GLU 19 10.392 -3.724 -1.740 173 2HB GLU 19 2HB GLU 19 10.954 -3.771 -3.416 174 1HG GLU 19 1HG GLU 19 13.112 -2.588 -2.382 175 2HG GLU 19 2HG GLU 19 12.480 -3.230 -0.866 176 H LEU 20 H LEU 20 8.558 -2.119 -1.300 177 HA LEU 20 HA LEU 20 6.565 -2.272 -3.366 178 1HB LEU 20 1HB LEU 20 6.070 -2.933 -1.069 179 2HB LEU 20 2HB LEU 20 6.354 -1.285 -0.498 180 HG LEU 20 HG LEU 20 4.394 -0.464 -1.790 181 1HD1 LEU 20 1HD1 LEU 20 4.087 -3.399 -2.544 182 2HD1 LEU 20 2HD1 LEU 20 2.771 -2.204 -2.682 183 3HD1 LEU 20 3HD1 LEU 20 4.237 -1.990 -3.631 184 1HD2 LEU 20 1HD2 LEU 20 4.099 -1.193 0.540 185 2HD2 LEU 20 2HD2 LEU 20 2.642 -1.416 -0.430 186 3HD2 LEU 20 3HD2 LEU 20 3.646 -2.826 -0.038 187 H ALA 21 H ALA 21 8.058 0.455 -1.625 188 HA ALA 21 HA ALA 21 6.328 2.404 -2.689 189 1HB ALA 21 1HB ALA 21 9.204 2.802 -1.705 190 2HB ALA 21 2HB ALA 21 7.912 3.991 -1.768 191 3HB ALA 21 3HB ALA 21 7.812 2.644 -0.635 192 H GLN 22 H GLN 22 9.673 1.556 -3.662 193 HA GLN 22 HA GLN 22 9.828 3.523 -5.682 194 1HB GLN 22 1HB GLN 22 11.367 0.961 -5.127 195 2HB GLN 22 2HB GLN 22 11.736 2.002 -6.496 196 1HG GLN 22 1HG GLN 22 11.553 3.730 -4.220 197 2HG GLN 22 2HG GLN 22 12.467 2.323 -3.703 198 1HE2 GLN 22 1HE2 GLN 22 12.403 4.142 -6.894 199 2HE2 GLN 22 2HE2 GLN 22 14.125 4.385 -6.908 200 H LYS 23 H LYS 23 8.882 -0.012 -5.924 201 HA LYS 23 HA LYS 23 8.693 0.268 -8.762 202 1HB LYS 23 1HB LYS 23 8.804 -1.868 -8.714 203 2HB LYS 23 2HB LYS 23 9.006 -1.830 -7.009 204 1HG LYS 23 1HG LYS 23 6.282 -2.154 -8.345 205 2HG LYS 23 2HG LYS 23 7.355 -3.482 -7.931 206 1HD LYS 23 1HD LYS 23 7.256 -3.014 -5.580 207 2HD LYS 23 2HD LYS 23 6.423 -1.479 -5.860 208 1HE LYS 23 1HE LYS 23 4.832 -3.227 -5.115 209 2HE LYS 23 2HE LYS 23 4.462 -2.591 -6.705 210 1HZ LYS 23 1HZ LYS 23 5.863 -5.181 -6.251 211 2HZ LYS 23 2HZ LYS 23 4.286 -4.981 -6.753 212 3HZ LYS 23 3HZ LYS 23 5.480 -4.516 -7.705 213 H VAL 24 H VAL 24 6.646 1.490 -6.336 214 HA VAL 24 HA VAL 24 4.404 1.700 -8.275 215 HB VAL 24 HB VAL 24 4.602 2.528 -5.341 216 1HG1 VAL 24 1HG1 VAL 24 2.948 3.876 -6.638 217 2HG1 VAL 24 2HG1 VAL 24 2.207 2.375 -7.207 218 3HG1 VAL 24 3HG1 VAL 24 2.176 2.791 -5.478 219 1HG2 VAL 24 1HG2 VAL 24 4.521 -0.033 -5.867 220 2HG2 VAL 24 2HG2 VAL 24 3.206 0.594 -4.881 221 3HG2 VAL 24 3HG2 VAL 24 2.971 0.297 -6.619 222 H GLY 25 H GLY 25 7.053 3.511 -6.722 223 1HA GLY 25 1HA GLY 25 8.056 5.399 -7.752 224 2HA GLY 25 2HA GLY 25 6.508 5.828 -8.481 225 H VAL 26 H VAL 26 6.364 4.845 -5.128 226 HA VAL 26 HA VAL 26 5.947 7.631 -4.276 227 HB VAL 26 HB VAL 26 4.629 6.679 -2.548 228 1HG1 VAL 26 1HG1 VAL 26 3.874 5.374 -5.210 229 2HG1 VAL 26 2HG1 VAL 26 2.799 5.581 -3.841 230 3HG1 VAL 26 3HG1 VAL 26 3.435 7.008 -4.678 231 1HG2 VAL 26 1HG2 VAL 26 5.144 3.901 -3.594 232 2HG2 VAL 26 2HG2 VAL 26 5.749 4.576 -2.051 233 3HG2 VAL 26 3HG2 VAL 26 4.024 4.345 -2.294 234 H ASP 27 H ASP 27 6.650 7.867 -1.775 235 HA ASP 27 HA ASP 27 9.446 7.169 -1.628 236 1HB ASP 27 1HB ASP 27 8.755 8.191 0.781 237 2HB ASP 27 2HB ASP 27 9.325 9.137 -0.568 238 H GLN 28 H GLN 28 10.304 5.934 0.140 239 HA GLN 28 HA GLN 28 9.000 3.556 1.041 240 1HB GLN 28 1HB GLN 28 11.474 3.944 1.051 241 2HB GLN 28 2HB GLN 28 11.260 5.191 2.276 242 1HG GLN 28 1HG GLN 28 10.153 3.264 3.710 243 2HG GLN 28 2HG GLN 28 10.939 2.196 2.565 244 1HE2 GLN 28 1HE2 GLN 28 11.305 4.326 5.246 245 2HE2 GLN 28 2HE2 GLN 28 13.046 4.092 5.487 246 H GLN 29 H GLN 29 9.449 6.748 2.455 247 HA GLN 29 HA GLN 29 8.163 6.560 4.873 248 1HB GLN 29 1HB GLN 29 9.489 8.428 3.917 249 2HB GLN 29 2HB GLN 29 8.180 8.858 2.849 250 1HG GLN 29 1HG GLN 29 8.006 8.857 5.895 251 2HG GLN 29 2HG GLN 29 8.500 10.255 4.938 252 1HE2 GLN 29 1HE2 GLN 29 6.618 10.104 2.691 253 2HE2 GLN 29 2HE2 GLN 29 5.075 10.483 3.361 254 H ALA 30 H ALA 30 6.648 6.926 1.612 255 HA ALA 30 HA ALA 30 4.055 7.588 2.621 256 1HB ALA 30 1HB ALA 30 4.781 7.947 0.261 257 2HB ALA 30 2HB ALA 30 4.710 6.187 -0.003 258 3HB ALA 30 3HB ALA 30 3.242 7.090 0.411 259 H ILE 31 H ILE 31 5.761 4.467 2.074 260 HA ILE 31 HA ILE 31 3.378 2.874 2.477 261 HB ILE 31 HB ILE 31 6.327 2.128 2.638 262 1HG1 ILE 31 1HG1 ILE 31 6.023 2.857 0.477 263 2HG1 ILE 31 2HG1 ILE 31 5.956 1.112 0.417 264 1HG2 ILE 31 1HG2 ILE 31 5.511 -0.181 2.247 265 2HG2 ILE 31 2HG2 ILE 31 4.988 0.478 3.800 266 3HG2 ILE 31 3HG2 ILE 31 3.833 0.396 2.451 267 1HD1 ILE 31 1HD1 ILE 31 4.317 2.033 -1.112 268 2HD1 ILE 31 2HD1 ILE 31 3.427 1.292 0.233 269 3HD1 ILE 31 3HD1 ILE 31 3.617 3.058 0.142 270 H GLU 32 H GLU 32 6.000 4.115 4.602 271 HA GLU 32 HA GLU 32 5.159 2.702 6.955 272 1HB GLU 32 1HB GLU 32 7.349 3.805 6.817 273 2HB GLU 32 2HB GLU 32 6.586 5.380 6.613 274 1HG GLU 32 1HG GLU 32 7.281 5.190 8.897 275 2HG GLU 32 2HG GLU 32 5.545 5.192 8.883 276 H GLN 33 H GLN 33 4.327 6.028 5.736 277 HA GLN 33 HA GLN 33 2.633 6.461 7.983 278 1HB GLN 33 1HB GLN 33 2.075 8.468 7.114 279 2HB GLN 33 2HB GLN 33 3.627 8.168 6.357 280 1HG GLN 33 1HG GLN 33 2.512 7.495 4.293 281 2HG GLN 33 2HG GLN 33 0.927 7.638 5.050 282 1HE2 GLN 33 1HE2 GLN 33 3.886 9.808 4.918 283 2HE2 GLN 33 2HE2 GLN 33 2.978 11.184 4.328 284 H LEU 34 H LEU 34 2.000 4.901 4.840 285 HA LEU 34 HA LEU 34 -0.825 4.727 5.053 286 1HB LEU 34 1HB LEU 34 1.425 3.492 3.515 287 2HB LEU 34 2HB LEU 34 0.068 2.442 3.721 288 HG LEU 34 HG LEU 34 -0.317 5.288 2.846 289 1HD1 LEU 34 1HD1 LEU 34 -0.308 4.502 0.494 290 2HD1 LEU 34 2HD1 LEU 34 1.273 4.273 1.262 291 3HD1 LEU 34 3HD1 LEU 34 0.195 2.880 1.029 292 1HD2 LEU 34 1HD2 LEU 34 -2.390 4.719 1.990 293 2HD2 LEU 34 2HD2 LEU 34 -2.062 2.999 1.938 294 3HD2 LEU 34 3HD2 LEU 34 -2.334 3.800 3.504 295 H GLU 35 H GLU 35 1.849 2.904 6.415 296 HA GLU 35 HA GLU 35 0.346 0.566 7.366 297 1HB GLU 35 1HB GLU 35 3.080 1.675 8.062 298 2HB GLU 35 2HB GLU 35 2.304 0.496 9.094 299 1HG GLU 35 1HG GLU 35 2.178 -1.105 7.243 300 2HG GLU 35 2HG GLU 35 2.902 0.051 6.153 301 H ASN 36 H ASN 36 1.418 3.673 8.873 302 HA ASN 36 HA ASN 36 0.048 2.907 11.313 303 1HB ASN 36 1HB ASN 36 1.093 4.641 12.322 304 2HB ASN 36 2HB ASN 36 2.263 4.075 11.171 305 1HD2 ASN 36 1HD2 ASN 36 3.423 5.794 10.518 306 2HD2 ASN 36 2HD2 ASN 36 2.848 7.425 10.331 307 H GLY 37 H GLY 37 -1.045 4.110 8.417 308 1HA GLY 37 1HA GLY 37 -3.329 4.260 7.942 309 2HA GLY 37 2HA GLY 37 -3.674 4.683 9.621 310 H LYS 38 H LYS 38 -1.017 6.474 8.414 311 HA LYS 38 HA LYS 38 -2.468 8.932 8.737 312 1HB LYS 38 1HB LYS 38 0.316 7.987 8.414 313 2HB LYS 38 2HB LYS 38 0.034 9.503 7.593 314 1HG LYS 38 1HG LYS 38 -0.667 9.019 10.518 315 2HG LYS 38 2HG LYS 38 0.890 9.645 9.952 316 1HD LYS 38 1HD LYS 38 -0.308 11.560 8.879 317 2HD LYS 38 2HD LYS 38 -1.829 10.956 9.581 318 1HE LYS 38 1HE LYS 38 -0.863 11.147 11.852 319 2HE LYS 38 2HE LYS 38 0.655 11.740 11.162 320 1HZ LYS 38 1HZ LYS 38 -0.741 13.558 11.914 321 2HZ LYS 38 2HZ LYS 38 -0.580 13.634 10.268 322 3HZ LYS 38 3HZ LYS 38 -1.964 13.061 10.971 323 H ALA 39 H ALA 39 -1.890 6.905 5.817 324 HA ALA 39 HA ALA 39 -3.180 9.108 4.298 325 1HB ALA 39 1HB ALA 39 -2.139 7.897 2.315 326 2HB ALA 39 2HB ALA 39 -0.992 8.758 3.371 327 3HB ALA 39 3HB ALA 39 -1.163 7.013 3.505 328 H LYS 40 H LYS 40 -5.284 8.426 4.920 329 HA LYS 40 HA LYS 40 -6.186 5.734 4.780 330 1HB LYS 40 1HB LYS 40 -7.164 7.774 5.898 331 2HB LYS 40 2HB LYS 40 -7.889 8.243 4.381 332 1HG LYS 40 1HG LYS 40 -8.401 5.552 5.731 333 2HG LYS 40 2HG LYS 40 -9.263 7.013 6.180 334 1HD LYS 40 1HD LYS 40 -10.146 7.285 3.927 335 2HD LYS 40 2HD LYS 40 -9.370 5.762 3.411 336 1HE LYS 40 1HE LYS 40 -10.691 4.509 5.057 337 2HE LYS 40 2HE LYS 40 -11.295 6.019 5.755 338 1HZ LYS 40 1HZ LYS 40 -12.010 4.926 3.108 339 2HZ LYS 40 2HZ LYS 40 -12.952 5.158 4.394 340 3HZ LYS 40 3HZ LYS 40 -12.364 6.459 3.563 341 H ARG 41 H ARG 41 -6.147 8.342 2.226 342 HA ARG 41 HA ARG 41 -6.825 6.332 0.215 343 1HB ARG 41 1HB ARG 41 -7.932 8.911 -0.405 344 2HB ARG 41 2HB ARG 41 -8.682 7.328 -0.437 345 1HG ARG 41 1HG ARG 41 -10.032 8.659 0.920 346 2HG ARG 41 2HG ARG 41 -9.132 7.671 2.037 347 1HD ARG 41 1HD ARG 41 -9.285 9.945 2.908 348 2HD ARG 41 2HD ARG 41 -7.603 9.629 2.508 349 HE ARG 41 HE ARG 41 -7.635 11.263 0.938 350 1HH1 ARG 41 2HH2 ARG 41 -11.006 10.629 1.930 351 2HH1 ARG 41 1HH2 ARG 41 -11.698 11.670 0.745 352 1HH2 ARG 41 2HH1 ARG 41 -8.572 12.915 -0.391 353 2HH2 ARG 41 1HH1 ARG 41 -10.286 12.967 -0.636 354 HA PRO 42 HA PRO 42 -3.034 8.762 -0.562 355 1HB PRO 42 1HB PRO 42 -1.555 6.865 -1.826 356 2HB PRO 42 2HB PRO 42 -1.712 6.935 -0.042 357 1HG PRO 42 1HG PRO 42 -3.216 5.189 -2.005 358 2HG PRO 42 2HG PRO 42 -2.469 4.700 -0.457 359 1HD PRO 42 1HD PRO 42 -5.132 5.263 -0.667 360 2HD PRO 42 2HD PRO 42 -4.249 5.635 0.796 361 H ARG 43 H ARG 43 -2.511 9.890 -2.369 362 HA ARG 43 HA ARG 43 -4.095 10.056 -4.661 363 1HB ARG 43 1HB ARG 43 -2.463 11.690 -5.388 364 2HB ARG 43 2HB ARG 43 -2.701 11.838 -3.653 365 1HG ARG 43 1HG ARG 43 -0.567 10.415 -3.362 366 2HG ARG 43 2HG ARG 43 -0.325 10.583 -5.110 367 1HD ARG 43 1HD ARG 43 -0.338 13.061 -4.840 368 2HD ARG 43 2HD ARG 43 -0.528 12.856 -3.091 369 HE ARG 43 HE ARG 43 1.746 11.364 -3.860 370 1HH1 ARG 43 2HH2 ARG 43 0.812 14.832 -3.902 371 2HH1 ARG 43 1HH2 ARG 43 2.457 15.336 -3.648 372 1HH2 ARG 43 2HH1 ARG 43 3.821 12.109 -3.577 373 2HH2 ARG 43 1HH1 ARG 43 4.207 13.796 -3.499 374 H PHE 44 H PHE 44 -2.306 7.437 -4.191 375 HA PHE 44 HA PHE 44 -1.579 6.966 -7.027 376 1HB PHE 44 1HB PHE 44 0.508 5.881 -6.179 377 2HB PHE 44 2HB PHE 44 0.446 7.615 -5.958 378 HD1 PHE 44 1HD PHE 44 1.062 8.533 -3.875 379 HD2 PHE 44 2HD PHE 44 -0.297 4.448 -4.068 380 HE1 PHE 44 1HE PHE 44 1.652 8.216 -1.488 381 HE2 PHE 44 2HE PHE 44 0.293 4.140 -1.694 382 HZ PHE 44 HZ PHE 44 1.276 6.000 -0.395 383 H LEU 45 H LEU 45 -3.769 6.101 -4.825 384 HA LEU 45 HA LEU 45 -3.600 3.478 -4.131 385 1HB LEU 45 1HB LEU 45 -5.651 5.520 -4.646 386 2HB LEU 45 2HB LEU 45 -6.269 4.009 -5.205 387 HG LEU 45 HG LEU 45 -5.111 3.972 -2.451 388 1HD1 LEU 45 1HD1 LEU 45 -6.394 6.149 -2.494 389 2HD1 LEU 45 2HD1 LEU 45 -7.804 5.287 -3.124 390 3HD1 LEU 45 3HD1 LEU 45 -7.223 4.928 -1.495 391 1HD2 LEU 45 1HD2 LEU 45 -7.771 2.911 -3.345 392 2HD2 LEU 45 2HD2 LEU 45 -6.236 2.011 -3.463 393 3HD2 LEU 45 3HD2 LEU 45 -6.860 2.575 -1.887 394 HA PRO 46 HA PRO 46 -5.156 1.671 -8.241 395 1HB PRO 46 1HB PRO 46 -4.695 3.065 -10.596 396 2HB PRO 46 2HB PRO 46 -6.237 3.062 -9.690 397 1HG PRO 46 1HG PRO 46 -4.002 5.094 -9.597 398 2HG PRO 46 2HG PRO 46 -5.767 5.392 -9.708 399 1HD PRO 46 1HD PRO 46 -4.466 5.590 -7.370 400 2HD PRO 46 2HD PRO 46 -6.080 4.831 -7.424 401 H GLU 47 H GLU 47 -2.229 3.730 -8.339 402 HA GLU 47 HA GLU 47 -0.709 1.951 -10.032 403 1HB GLU 47 1HB GLU 47 0.066 4.129 -8.034 404 2HB GLU 47 2HB GLU 47 1.182 3.295 -9.080 405 1HG GLU 47 1HG GLU 47 0.197 4.269 -11.068 406 2HG GLU 47 2HG GLU 47 -1.197 4.863 -10.150 407 H LEU 48 H LEU 48 -1.028 2.523 -6.464 408 HA LEU 48 HA LEU 48 0.969 0.558 -5.823 409 1HB LEU 48 1HB LEU 48 0.191 2.395 -4.335 410 2HB LEU 48 2HB LEU 48 -1.303 1.517 -4.057 411 HG LEU 48 HG LEU 48 1.002 -0.273 -3.664 412 1HD1 LEU 48 1HD1 LEU 48 2.183 0.731 -1.891 413 2HD1 LEU 48 2HD1 LEU 48 2.211 1.887 -3.225 414 3HD1 LEU 48 3HD1 LEU 48 1.112 2.143 -1.852 415 1HD2 LEU 48 1HD2 LEU 48 -1.089 0.826 -1.743 416 2HD2 LEU 48 2HD2 LEU 48 -1.087 -0.745 -2.597 417 3HD2 LEU 48 3HD2 LEU 48 0.098 -0.430 -1.331 418 H ALA 49 H ALA 49 -2.546 0.487 -6.213 419 HA ALA 49 HA ALA 49 -2.876 -2.200 -5.349 420 1HB ALA 49 1HB ALA 49 -4.550 -0.661 -7.421 421 2HB ALA 49 2HB ALA 49 -5.072 -2.054 -6.463 422 3HB ALA 49 3HB ALA 49 -4.765 -0.524 -5.667 423 H ARG 50 H ARG 50 -2.551 -0.986 -8.764 424 HA ARG 50 HA ARG 50 -2.597 -3.645 -9.801 425 1HB ARG 50 1HB ARG 50 -1.252 -1.190 -11.027 426 2HB ARG 50 2HB ARG 50 -1.540 -2.740 -11.831 427 1HG ARG 50 1HG ARG 50 -4.068 -2.289 -11.078 428 2HG ARG 50 2HG ARG 50 -3.528 -0.611 -11.064 429 1HD ARG 50 1HD ARG 50 -3.545 -2.565 -13.365 430 2HD ARG 50 2HD ARG 50 -4.480 -1.083 -13.204 431 HE ARG 50 HE ARG 50 -2.347 0.194 -13.363 432 1HH1 ARG 50 2HH2 ARG 50 -2.433 -3.130 -14.786 433 2HH1 ARG 50 1HH2 ARG 50 -1.480 -2.652 -16.129 434 1HH2 ARG 50 2HH1 ARG 50 -0.673 0.569 -14.953 435 2HH2 ARG 50 1HH1 ARG 50 -0.237 -0.718 -16.040 436 H ALA 51 H ALA 51 0.233 -1.609 -8.785 437 HA ALA 51 HA ALA 51 2.092 -3.617 -9.560 438 1HB ALA 51 1HB ALA 51 2.565 -1.130 -9.101 439 2HB ALA 51 2HB ALA 51 2.577 -1.603 -7.381 440 3HB ALA 51 3HB ALA 51 3.747 -2.303 -8.522 441 H LEU 52 H LEU 52 0.135 -3.210 -6.521 442 HA LEU 52 HA LEU 52 1.663 -5.250 -5.141 443 1HB LEU 52 1HB LEU 52 0.485 -3.393 -4.078 444 2HB LEU 52 2HB LEU 52 -1.068 -4.120 -4.513 445 HG LEU 52 HG LEU 52 -0.532 -5.998 -3.030 446 1HD1 LEU 52 1HD1 LEU 52 1.634 -5.736 -1.549 447 2HD1 LEU 52 2HD1 LEU 52 1.842 -6.343 -3.195 448 3HD1 LEU 52 3HD1 LEU 52 2.192 -4.644 -2.815 449 1HD2 LEU 52 1HD2 LEU 52 0.121 -3.292 -1.778 450 2HD2 LEU 52 2HD2 LEU 52 -1.505 -3.938 -2.084 451 3HD2 LEU 52 3HD2 LEU 52 -0.446 -4.718 -0.889 452 H GLY 53 H GLY 53 -0.999 -5.221 -7.376 453 1HA GLY 53 1HA GLY 53 -1.640 -7.083 -8.658 454 2HA GLY 53 2HA GLY 53 -1.107 -8.182 -7.379 455 H VAL 54 H VAL 54 -3.140 -5.292 -6.842 456 HA VAL 54 HA VAL 54 -5.479 -6.978 -6.245 457 HB VAL 54 HB VAL 54 -5.756 -5.996 -4.072 458 1HG1 VAL 54 1HG1 VAL 54 -4.288 -8.022 -4.241 459 2HG1 VAL 54 2HG1 VAL 54 -2.873 -6.944 -4.187 460 3HG1 VAL 54 3HG1 VAL 54 -3.994 -7.018 -2.814 461 1HG2 VAL 54 1HG2 VAL 54 -3.340 -4.338 -4.807 462 2HG2 VAL 54 2HG2 VAL 54 -4.927 -3.811 -4.202 463 3HG2 VAL 54 3HG2 VAL 54 -3.766 -4.615 -3.126 464 H ALA 55 H ALA 55 -7.363 -5.405 -5.679 465 HA ALA 55 HA ALA 55 -7.470 -3.305 -7.743 466 1HB ALA 55 1HB ALA 55 -9.884 -3.271 -7.122 467 2HB ALA 55 2HB ALA 55 -9.325 -4.897 -7.538 468 3HB ALA 55 3HB ALA 55 -9.563 -4.453 -5.836 469 H VAL 56 H VAL 56 -8.257 -1.158 -7.235 470 HA VAL 56 HA VAL 56 -7.461 0.263 -4.821 471 HB VAL 56 HB VAL 56 -9.550 0.680 -7.057 472 1HG1 VAL 56 1HG1 VAL 56 -9.737 2.984 -6.577 473 2HG1 VAL 56 2HG1 VAL 56 -10.046 2.151 -5.052 474 3HG1 VAL 56 3HG1 VAL 56 -8.475 2.934 -5.349 475 1HG2 VAL 56 1HG2 VAL 56 -7.884 2.261 -8.015 476 2HG2 VAL 56 2HG2 VAL 56 -6.755 1.816 -6.714 477 3HG2 VAL 56 3HG2 VAL 56 -7.250 0.619 -7.931 478 H ASP 57 H ASP 57 -10.497 -1.405 -5.878 479 HA ASP 57 HA ASP 57 -12.004 -0.834 -3.546 480 1HB ASP 57 1HB ASP 57 -12.701 -2.024 -5.760 481 2HB ASP 57 2HB ASP 57 -11.972 -3.460 -5.045 482 H TRP 58 H TRP 58 -9.545 -3.357 -4.143 483 HA TRP 58 HA TRP 58 -10.036 -4.692 -1.618 484 1HB TRP 58 1HB TRP 58 -8.947 -5.844 -3.503 485 2HB TRP 58 2HB TRP 58 -7.606 -4.700 -3.403 486 HD1 TRP 58 HD TRP 58 -9.120 -7.615 -1.600 487 HE1 TRP 58 1HE TRP 58 -7.612 -8.438 0.301 488 HE3 TRP 58 3HE TRP 58 -5.581 -4.000 -1.842 489 HZ2 TRP 58 2HZ TRP 58 -4.891 -7.881 1.195 490 HZ3 TRP 58 3HZ TRP 58 -3.472 -4.191 -0.516 491 HH2 TRP 58 HH TRP 58 -3.175 -6.073 1.032 492 H LEU 59 H LEU 59 -7.755 -2.185 -2.827 493 HA LEU 59 HA LEU 59 -6.367 -1.872 -0.372 494 1HB LEU 59 1HB LEU 59 -6.678 -0.261 -2.873 495 2HB LEU 59 2HB LEU 59 -6.234 0.586 -1.476 496 HG LEU 59 HG LEU 59 -4.724 -1.760 -2.663 497 1HD1 LEU 59 1HD1 LEU 59 -4.612 0.521 -3.764 498 2HD1 LEU 59 2HD1 LEU 59 -3.880 1.145 -2.281 499 3HD1 LEU 59 3HD1 LEU 59 -3.071 -0.119 -3.242 500 1HD2 LEU 59 1HD2 LEU 59 -2.910 -1.190 -0.994 501 2HD2 LEU 59 2HD2 LEU 59 -4.079 -0.172 -0.130 502 3HD2 LEU 59 3HD2 LEU 59 -4.315 -1.930 -0.250 503 H LEU 60 H LEU 60 -9.359 -0.288 -1.515 504 HA LEU 60 HA LEU 60 -9.633 1.409 0.780 505 1HB LEU 60 1HB LEU 60 -11.454 0.395 -1.436 506 2HB LEU 60 2HB LEU 60 -12.076 1.412 -0.162 507 HG LEU 60 HG LEU 60 -9.709 2.186 -1.944 508 1HD1 LEU 60 1HD1 LEU 60 -11.709 1.877 -3.318 509 2HD1 LEU 60 2HD1 LEU 60 -12.639 2.936 -2.253 510 3HD1 LEU 60 3HD1 LEU 60 -11.289 3.595 -3.202 511 1HD2 LEU 60 1HD2 LEU 60 -11.419 3.847 -0.053 512 2HD2 LEU 60 2HD2 LEU 60 -9.692 3.473 0.115 513 3HD2 LEU 60 3HD2 LEU 60 -10.234 4.505 -1.204 514 H ASN 61 H ASN 61 -11.246 -1.605 -0.155 515 HA ASN 61 HA ASN 61 -12.628 -1.702 2.441 516 1HB ASN 61 1HB ASN 61 -13.196 -3.155 -0.180 517 2HB ASN 61 2HB ASN 61 -14.212 -3.129 1.247 518 1HD2 ASN 61 1HD2 ASN 61 -13.806 -1.533 -1.793 519 2HD2 ASN 61 2HD2 ASN 61 -14.558 -0.038 -1.303 520 H GLY 62 H GLY 62 -10.323 -3.697 0.581 521 1HA GLY 62 1HA GLY 62 -9.078 -5.463 1.339 522 2HA GLY 62 2HA GLY 62 -9.974 -5.466 2.860 523 H ALA 63 H ALA 63 -11.020 -5.824 -0.540 524 HA ALA 63 HA ALA 63 -13.030 -7.650 -0.265 525 1HB ALA 63 1HB ALA 63 -11.035 -7.522 -2.572 526 2HB ALA 63 2HB ALA 63 -12.646 -8.237 -2.623 527 3HB ALA 63 3HB ALA 63 -12.470 -6.492 -2.370 Start of MODEL 6 1 1H MET 0 H MET 0 -10.185 -5.004 9.647 2 HA MET 0 HA MET 0 -7.340 -4.828 10.155 3 1HB MET 0 1HB MET 0 -7.781 -6.962 8.884 4 2HB MET 0 2HB MET 0 -8.441 -5.989 7.564 5 1HG MET 0 1HG MET 0 -6.184 -4.887 7.391 6 2HG MET 0 2HG MET 0 -5.601 -5.989 8.645 7 1HE MET 0 1HE MET 0 -6.959 -8.854 7.737 8 2HE MET 0 2HE MET 0 -5.563 -9.433 6.810 9 3HE MET 0 3HE MET 0 -5.312 -8.554 8.332 10 H LEU 1 H LEU 1 -6.495 -3.345 8.390 11 HA LEU 1 HA LEU 1 -8.428 -1.549 7.081 12 1HB LEU 1 1HB LEU 1 -6.280 -0.419 8.904 13 2HB LEU 1 2HB LEU 1 -7.339 0.525 7.885 14 HG LEU 1 HG LEU 1 -8.351 -1.154 10.186 15 1HD1 LEU 1 1HD1 LEU 1 -8.572 0.949 11.416 16 2HD1 LEU 1 2HD1 LEU 1 -6.887 0.612 10.996 17 3HD1 LEU 1 3HD1 LEU 1 -7.800 1.826 10.074 18 1HD2 LEU 1 1HD2 LEU 1 -10.409 0.175 9.951 19 2HD2 LEU 1 2HD2 LEU 1 -9.717 1.049 8.576 20 3HD2 LEU 1 3HD2 LEU 1 -10.077 -0.675 8.440 21 H MET 2 H MET 2 -6.802 0.263 6.023 22 HA MET 2 HA MET 2 -5.612 -1.098 3.875 23 1HB MET 2 1HB MET 2 -5.558 1.718 4.870 24 2HB MET 2 2HB MET 2 -4.235 1.272 3.793 25 1HG MET 2 1HG MET 2 -5.680 1.918 2.199 26 2HG MET 2 2HG MET 2 -6.168 0.261 2.352 27 1HE MET 2 1HE MET 2 -8.457 4.084 3.521 28 2HE MET 2 2HE MET 2 -6.840 3.760 4.180 29 3HE MET 2 3HE MET 2 -7.075 3.927 2.427 30 H GLY 3 H GLY 3 -3.973 0.479 6.608 31 1HA GLY 3 1HA GLY 3 -1.387 0.092 5.669 32 2HA GLY 3 2HA GLY 3 -1.864 0.275 7.378 33 H GLU 4 H GLU 4 -3.129 -1.913 8.085 34 HA GLU 4 HA GLU 4 -1.195 -3.959 8.272 35 1HB GLU 4 1HB GLU 4 -4.241 -4.016 8.478 36 2HB GLU 4 2HB GLU 4 -3.236 -5.415 8.878 37 1HG GLU 4 1HG GLU 4 -2.170 -4.222 10.694 38 2HG GLU 4 2HG GLU 4 -2.988 -2.715 10.248 39 H ARG 5 H ARG 5 -3.938 -3.635 6.032 40 HA ARG 5 HA ARG 5 -3.698 -6.101 4.678 41 1HB ARG 5 1HB ARG 5 -5.675 -4.795 4.684 42 2HB ARG 5 2HB ARG 5 -4.869 -3.355 4.084 43 1HG ARG 5 1HG ARG 5 -4.761 -4.083 1.908 44 2HG ARG 5 2HG ARG 5 -4.965 -5.791 2.393 45 1HD ARG 5 1HD ARG 5 -6.946 -4.905 1.312 46 2HD ARG 5 2HD ARG 5 -7.276 -5.445 2.959 47 HE ARG 5 HE ARG 5 -7.285 -2.711 1.875 48 1HH1 ARG 5 2HH2 ARG 5 -8.122 -4.682 4.773 49 2HH1 ARG 5 1HH2 ARG 5 -8.910 -3.332 5.494 50 1HH2 ARG 5 2HH1 ARG 5 -8.227 -1.074 2.924 51 2HH2 ARG 5 1HH1 ARG 5 -8.947 -1.238 4.478 52 H ILE 6 H ILE 6 -2.240 -2.930 3.973 53 HA ILE 6 HA ILE 6 -0.820 -3.651 1.595 54 HB ILE 6 HB ILE 6 -0.607 -1.474 3.689 55 1HG1 ILE 6 1HG1 ILE 6 -1.084 -1.309 0.672 56 2HG1 ILE 6 2HG1 ILE 6 -2.394 -1.597 1.812 57 1HG2 ILE 6 1HG2 ILE 6 1.145 -0.329 2.357 58 2HG2 ILE 6 2HG2 ILE 6 1.722 -1.807 3.085 59 3HG2 ILE 6 3HG2 ILE 6 1.317 -1.789 1.351 60 1HD1 ILE 6 1HD1 ILE 6 -2.343 0.746 1.272 61 2HD1 ILE 6 2HD1 ILE 6 -1.872 0.541 2.973 62 3HD1 ILE 6 3HD1 ILE 6 -0.638 0.871 1.736 63 H ARG 7 H ARG 7 0.160 -3.547 5.108 64 HA ARG 7 HA ARG 7 2.773 -4.456 4.633 65 1HB ARG 7 1HB ARG 7 1.829 -3.613 6.821 66 2HB ARG 7 2HB ARG 7 1.114 -5.203 7.063 67 1HG ARG 7 1HG ARG 7 3.755 -5.865 6.446 68 2HG ARG 7 2HG ARG 7 3.953 -4.321 7.229 69 1HD ARG 7 1HD ARG 7 2.507 -5.321 9.145 70 2HD ARG 7 2HD ARG 7 2.794 -6.871 8.354 71 HE ARG 7 HE ARG 7 4.910 -4.956 9.280 72 1HH1 ARG 7 2HH2 ARG 7 3.824 -8.400 8.998 73 2HH1 ARG 7 1HH2 ARG 7 5.370 -9.001 9.496 74 1HH2 ARG 7 2HH1 ARG 7 6.894 -5.856 9.975 75 2HH2 ARG 7 1HH1 ARG 7 7.076 -7.556 10.168 76 H ALA 8 H ALA 8 -0.227 -6.277 5.298 77 HA ALA 8 HA ALA 8 0.745 -8.875 5.499 78 1HB ALA 8 1HB ALA 8 -1.921 -7.863 4.395 79 2HB ALA 8 2HB ALA 8 -1.573 -9.537 4.818 80 3HB ALA 8 3HB ALA 8 -1.550 -8.290 6.077 81 H ARG 9 H ARG 9 -0.512 -7.230 2.527 82 HA ARG 9 HA ARG 9 0.207 -9.418 0.839 83 1HB ARG 9 1HB ARG 9 -1.378 -7.375 0.428 84 2HB ARG 9 2HB ARG 9 0.069 -6.555 -0.112 85 1HG ARG 9 1HG ARG 9 -1.281 -9.000 -1.368 86 2HG ARG 9 2HG ARG 9 -1.147 -7.413 -1.981 87 1HD ARG 9 1HD ARG 9 1.416 -7.864 -2.099 88 2HD ARG 9 2HD ARG 9 0.999 -9.560 -1.758 89 HE ARG 9 HE ARG 9 -0.111 -7.903 -3.930 90 1HH1 ARG 9 2HH2 ARG 9 1.134 -11.224 -3.120 91 2HH1 ARG 9 1HH2 ARG 9 0.061 -11.964 -4.220 92 1HH2 ARG 9 2HH1 ARG 9 -0.971 -8.872 -5.704 93 2HH2 ARG 9 1HH1 ARG 9 -0.957 -10.583 -5.955 94 H ARG 10 H ARG 10 2.054 -6.407 1.749 95 HA ARG 10 HA ARG 10 4.254 -6.856 0.079 96 1HB ARG 10 1HB ARG 10 3.666 -5.004 2.145 97 2HB ARG 10 2HB ARG 10 4.874 -5.994 2.862 98 1HG ARG 10 1HG ARG 10 6.493 -5.462 1.194 99 2HG ARG 10 2HG ARG 10 5.287 -4.872 0.057 100 1HD ARG 10 1HD ARG 10 6.778 -3.162 1.410 101 2HD ARG 10 2HD ARG 10 5.104 -2.827 1.040 102 HE ARG 10 HE ARG 10 4.610 -2.706 3.171 103 1HH1 ARG 10 2HH2 ARG 10 7.361 -5.108 3.054 104 2HH1 ARG 10 1HH2 ARG 10 7.537 -5.102 4.743 105 1HH2 ARG 10 2HH1 ARG 10 4.977 -2.805 5.451 106 2HH2 ARG 10 1HH1 ARG 10 6.027 -3.981 6.123 107 H ILE 11 H ILE 11 3.711 -8.112 3.380 108 HA ILE 11 HA ILE 11 6.117 -9.619 3.545 109 HB ILE 11 HB ILE 11 3.501 -9.581 5.074 110 1HG1 ILE 11 1HG1 ILE 11 4.956 -7.520 5.174 111 2HG1 ILE 11 2HG1 ILE 11 4.651 -8.284 6.712 112 1HG2 ILE 11 1HG2 ILE 11 4.357 -11.767 5.520 113 2HG2 ILE 11 2HG2 ILE 11 6.006 -11.147 5.771 114 3HG2 ILE 11 3HG2 ILE 11 4.716 -10.751 6.918 115 1HD1 ILE 11 1HD1 ILE 11 6.959 -7.476 6.515 116 2HD1 ILE 11 2HD1 ILE 11 6.948 -9.231 6.696 117 3HD1 ILE 11 3HD1 ILE 11 7.237 -8.509 5.102 118 H GLN 12 H GLN 12 2.827 -10.491 2.480 119 HA GLN 12 HA GLN 12 3.212 -13.228 1.979 120 1HB GLN 12 1HB GLN 12 1.140 -11.584 1.683 121 2HB GLN 12 2HB GLN 12 1.783 -11.377 0.065 122 1HG GLN 12 1HG GLN 12 1.569 -13.934 -0.179 123 2HG GLN 12 2HG GLN 12 0.654 -13.896 1.325 124 1HE2 GLN 12 1HE2 GLN 12 0.122 -11.066 -0.615 125 2HE2 GLN 12 2HE2 GLN 12 -1.286 -11.607 -1.524 126 H LEU 13 H LEU 13 4.568 -10.506 0.345 127 HA LEU 13 HA LEU 13 5.772 -12.229 -1.761 128 1HB LEU 13 1HB LEU 13 4.421 -10.191 -2.416 129 2HB LEU 13 2HB LEU 13 5.662 -9.196 -1.657 130 HG LEU 13 HG LEU 13 7.332 -9.970 -3.303 131 1HD1 LEU 13 1HD1 LEU 13 6.606 -11.334 -5.272 132 2HD1 LEU 13 2HD1 LEU 13 6.613 -12.259 -3.778 133 3HD1 LEU 13 3HD1 LEU 13 5.070 -11.673 -4.445 134 1HD2 LEU 13 1HD2 LEU 13 4.716 -9.108 -4.599 135 2HD2 LEU 13 2HD2 LEU 13 5.912 -8.034 -3.837 136 3HD2 LEU 13 3HD2 LEU 13 6.343 -8.943 -5.292 137 H GLY 14 H GLY 14 6.433 -11.267 1.290 138 1HA GLY 14 1HA GLY 14 8.297 -11.083 2.587 139 2HA GLY 14 2HA GLY 14 9.238 -11.682 1.221 140 H LEU 15 H LEU 15 7.468 -8.775 0.545 141 HA LEU 15 HA LEU 15 10.081 -7.614 -0.150 142 1HB LEU 15 1HB LEU 15 7.141 -7.017 -0.670 143 2HB LEU 15 2HB LEU 15 8.205 -5.636 -0.635 144 HG LEU 15 HG LEU 15 8.190 -7.860 -2.630 145 1HD1 LEU 15 1HD1 LEU 15 6.755 -5.861 -2.940 146 2HD1 LEU 15 2HD1 LEU 15 8.200 -4.819 -2.864 147 3HD1 LEU 15 3HD1 LEU 15 8.012 -5.985 -4.186 148 1HD2 LEU 15 1HD2 LEU 15 10.501 -7.787 -2.302 149 2HD2 LEU 15 2HD2 LEU 15 10.235 -6.685 -3.647 150 3HD2 LEU 15 3HD2 LEU 15 10.525 -6.040 -2.012 151 H ASN 16 H ASN 16 10.569 -5.313 0.412 152 HA ASN 16 HA ASN 16 9.812 -4.667 3.233 153 1HB ASN 16 1HB ASN 16 12.116 -3.600 1.582 154 2HB ASN 16 2HB ASN 16 11.785 -3.260 3.277 155 1HD2 ASN 16 1HD2 ASN 16 13.699 -5.278 1.318 156 2HD2 ASN 16 2HD2 ASN 16 13.892 -6.585 2.448 157 H GLN 17 H GLN 17 9.605 -2.187 3.652 158 HA GLN 17 HA GLN 17 7.512 -1.137 2.168 159 1HB GLN 17 1HB GLN 17 9.598 0.224 3.934 160 2HB GLN 17 2HB GLN 17 8.087 0.981 3.390 161 1HG GLN 17 1HG GLN 17 6.812 -0.840 4.476 162 2HG GLN 17 2HG GLN 17 8.305 -1.545 5.089 163 1HE2 GLN 17 1HE2 GLN 17 5.943 -0.398 6.337 164 2HE2 GLN 17 2HE2 GLN 17 6.472 0.820 7.531 165 H ALA 18 H ALA 18 10.987 -0.163 1.996 166 HA ALA 18 HA ALA 18 10.573 1.834 0.062 167 1HB ALA 18 1HB ALA 18 13.087 0.218 0.599 168 2HB ALA 18 2HB ALA 18 13.007 1.767 -0.249 169 3HB ALA 18 3HB ALA 18 12.610 1.678 1.479 170 H GLU 19 H GLU 19 11.338 -1.714 -0.297 171 HA GLU 19 HA GLU 19 11.760 -1.604 -3.038 172 1HB GLU 19 1HB GLU 19 10.555 -3.778 -1.245 173 2HB GLU 19 2HB GLU 19 11.226 -4.071 -2.843 174 1HG GLU 19 1HG GLU 19 12.939 -2.742 -0.696 175 2HG GLU 19 2HG GLU 19 12.618 -4.431 -0.630 176 H LEU 20 H LEU 20 8.748 -2.065 -1.211 177 HA LEU 20 HA LEU 20 7.036 -2.340 -3.521 178 1HB LEU 20 1HB LEU 20 6.253 -2.900 -1.230 179 2HB LEU 20 2HB LEU 20 6.433 -1.216 -0.742 180 HG LEU 20 HG LEU 20 4.701 -0.557 -2.445 181 1HD1 LEU 20 1HD1 LEU 20 4.900 -2.465 -3.987 182 2HD1 LEU 20 2HD1 LEU 20 4.329 -3.579 -2.720 183 3HD1 LEU 20 3HD1 LEU 20 3.244 -2.332 -3.389 184 1HD2 LEU 20 1HD2 LEU 20 3.623 -2.667 -0.541 185 2HD2 LEU 20 2HD2 LEU 20 4.095 -1.019 -0.055 186 3HD2 LEU 20 3HD2 LEU 20 2.778 -1.262 -1.207 187 H ALA 21 H ALA 21 8.135 0.444 -1.545 188 HA ALA 21 HA ALA 21 6.669 2.411 -2.810 189 1HB ALA 21 1HB ALA 21 7.960 2.641 -0.670 190 2HB ALA 21 2HB ALA 21 9.444 2.805 -1.633 191 3HB ALA 21 3HB ALA 21 8.149 3.985 -1.801 192 H GLN 22 H GLN 22 10.008 1.318 -3.679 193 HA GLN 22 HA GLN 22 10.555 3.217 -5.673 194 1HB GLN 22 1HB GLN 22 11.394 0.279 -5.447 195 2HB GLN 22 2HB GLN 22 11.956 1.366 -6.712 196 1HG GLN 22 1HG GLN 22 12.775 2.898 -4.790 197 2HG GLN 22 2HG GLN 22 12.629 1.459 -3.773 198 1HE2 GLN 22 1HE2 GLN 22 14.798 3.157 -5.592 199 2HE2 GLN 22 2HE2 GLN 22 15.749 1.888 -6.312 200 H LYS 23 H LYS 23 9.048 -0.048 -6.003 201 HA LYS 23 HA LYS 23 8.909 0.083 -8.820 202 1HB LYS 23 1HB LYS 23 8.371 -2.088 -8.569 203 2HB LYS 23 2HB LYS 23 8.804 -1.873 -6.896 204 1HG LYS 23 1HG LYS 23 6.368 -1.358 -6.414 205 2HG LYS 23 2HG LYS 23 6.007 -1.772 -8.106 206 1HD LYS 23 1HD LYS 23 6.930 -4.036 -7.682 207 2HD LYS 23 2HD LYS 23 7.170 -3.593 -5.963 208 1HE LYS 23 1HE LYS 23 4.694 -2.973 -5.885 209 2HE LYS 23 2HE LYS 23 4.556 -3.512 -7.545 210 1HZ LYS 23 1HZ LYS 23 3.939 -5.406 -6.373 211 2HZ LYS 23 2HZ LYS 23 5.521 -5.713 -6.648 212 3HZ LYS 23 3HZ LYS 23 5.063 -5.207 -5.185 213 H VAL 24 H VAL 24 6.650 1.108 -6.244 214 HA VAL 24 HA VAL 24 4.426 1.389 -8.092 215 HB VAL 24 HB VAL 24 4.841 2.629 -5.343 216 1HG1 VAL 24 1HG1 VAL 24 3.023 3.626 -6.676 217 2HG1 VAL 24 2HG1 VAL 24 2.386 2.012 -7.035 218 3HG1 VAL 24 3HG1 VAL 24 2.345 2.644 -5.363 219 1HG2 VAL 24 1HG2 VAL 24 4.073 0.803 -4.239 220 2HG2 VAL 24 2HG2 VAL 24 3.007 0.277 -5.533 221 3HG2 VAL 24 3HG2 VAL 24 4.708 -0.113 -5.615 222 H GLY 25 H GLY 25 6.838 3.544 -6.500 223 1HA GLY 25 1HA GLY 25 7.713 5.325 -8.017 224 2HA GLY 25 2HA GLY 25 6.029 5.772 -8.300 225 H VAL 26 H VAL 26 6.463 4.784 -5.000 226 HA VAL 26 HA VAL 26 6.128 7.598 -4.221 227 HB VAL 26 HB VAL 26 4.764 6.740 -2.492 228 1HG1 VAL 26 1HG1 VAL 26 2.913 5.772 -3.769 229 2HG1 VAL 26 2HG1 VAL 26 3.708 7.042 -4.720 230 3HG1 VAL 26 3HG1 VAL 26 3.994 5.328 -5.088 231 1HG2 VAL 26 1HG2 VAL 26 5.250 3.910 -3.444 232 2HG2 VAL 26 2HG2 VAL 26 5.842 4.612 -1.913 233 3HG2 VAL 26 3HG2 VAL 26 4.110 4.430 -2.187 234 H ASP 27 H ASP 27 6.765 7.811 -1.601 235 HA ASP 27 HA ASP 27 9.535 7.081 -1.341 236 1HB ASP 27 1HB ASP 27 8.360 8.199 1.002 237 2HB ASP 27 2HB ASP 27 9.571 8.798 -0.100 238 H GLN 28 H GLN 28 10.288 5.883 0.578 239 HA GLN 28 HA GLN 28 8.851 3.480 1.269 240 1HB GLN 28 1HB GLN 28 11.339 3.762 1.504 241 2HB GLN 28 2HB GLN 28 11.064 4.981 2.739 242 1HG GLN 28 1HG GLN 28 9.699 3.024 3.949 243 2HG GLN 28 2HG GLN 28 10.723 2.020 2.937 244 1HE2 GLN 28 1HE2 GLN 28 10.538 3.771 5.894 245 2HE2 GLN 28 2HE2 GLN 28 12.206 3.579 6.322 246 H GLN 29 H GLN 29 9.272 6.682 2.707 247 HA GLN 29 HA GLN 29 7.846 6.404 5.046 248 1HB GLN 29 1HB GLN 29 9.256 8.346 3.966 249 2HB GLN 29 2HB GLN 29 7.705 8.953 3.412 250 1HG GLN 29 1HG GLN 29 7.043 9.544 5.562 251 2HG GLN 29 2HG GLN 29 7.904 8.205 6.320 252 1HE2 GLN 29 1HE2 GLN 29 8.048 11.552 5.908 253 2HE2 GLN 29 2HE2 GLN 29 9.755 11.784 6.227 254 H ALA 30 H ALA 30 6.555 7.060 1.729 255 HA ALA 30 HA ALA 30 3.886 7.547 2.597 256 1HB ALA 30 1HB ALA 30 3.253 6.998 0.239 257 2HB ALA 30 2HB ALA 30 4.462 8.267 0.410 258 3HB ALA 30 3HB ALA 30 4.953 6.625 -0.085 259 H ILE 31 H ILE 31 5.665 4.508 1.994 260 HA ILE 31 HA ILE 31 3.274 2.859 2.196 261 HB ILE 31 HB ILE 31 6.232 2.155 2.479 262 1HG1 ILE 31 1HG1 ILE 31 5.950 3.002 0.301 263 2HG1 ILE 31 2HG1 ILE 31 6.026 1.256 0.194 264 1HG2 ILE 31 1HG2 ILE 31 3.806 0.345 2.162 265 2HG2 ILE 31 2HG2 ILE 31 5.499 -0.175 1.988 266 3HG2 ILE 31 3HG2 ILE 31 4.910 0.430 3.539 267 1HD1 ILE 31 1HD1 ILE 31 3.480 1.257 0.020 268 2HD1 ILE 31 2HD1 ILE 31 3.578 3.024 -0.130 269 3HD1 ILE 31 3HD1 ILE 31 4.357 1.992 -1.339 270 H GLU 32 H GLU 32 5.862 3.911 4.475 271 HA GLU 32 HA GLU 32 4.905 2.395 6.697 272 1HB GLU 32 1HB GLU 32 7.123 3.287 6.706 273 2HB GLU 32 2HB GLU 32 6.554 4.932 6.461 274 1HG GLU 32 1HG GLU 32 7.307 4.614 8.765 275 2HG GLU 32 2HG GLU 32 5.616 5.050 8.696 276 H GLN 33 H GLN 33 4.237 5.802 5.747 277 HA GLN 33 HA GLN 33 2.510 6.258 7.964 278 1HB GLN 33 1HB GLN 33 1.998 8.319 6.978 279 2HB GLN 33 2HB GLN 33 3.651 7.964 6.483 280 1HG GLN 33 1HG GLN 33 2.728 7.104 4.331 281 2HG GLN 33 2HG GLN 33 1.126 7.636 4.828 282 1HE2 GLN 33 1HE2 GLN 33 1.750 8.719 2.529 283 2HE2 GLN 33 2HE2 GLN 33 2.294 10.371 2.661 284 H LEU 34 H LEU 34 1.916 4.798 4.718 285 HA LEU 34 HA LEU 34 -0.921 4.768 4.965 286 1HB LEU 34 1HB LEU 34 1.170 3.577 3.237 287 2HB LEU 34 2HB LEU 34 -0.138 2.486 3.499 288 HG LEU 34 HG LEU 34 -0.541 5.381 2.700 289 1HD1 LEU 34 1HD1 LEU 34 -0.461 2.941 0.868 290 2HD1 LEU 34 2HD1 LEU 34 -0.862 4.616 0.411 291 3HD1 LEU 34 3HD1 LEU 34 0.772 4.202 0.977 292 1HD2 LEU 34 1HD2 LEU 34 -2.772 4.701 1.983 293 2HD2 LEU 34 2HD2 LEU 34 -2.441 3.009 2.428 294 3HD2 LEU 34 3HD2 LEU 34 -2.562 4.271 3.666 295 H GLU 35 H GLU 35 1.698 2.606 5.965 296 HA GLU 35 HA GLU 35 0.172 0.447 6.995 297 1HB GLU 35 1HB GLU 35 2.983 1.316 7.335 298 2HB GLU 35 2HB GLU 35 2.281 0.141 8.453 299 1HG GLU 35 1HG GLU 35 1.555 -1.266 6.555 300 2HG GLU 35 2HG GLU 35 2.236 -0.153 5.393 301 H ASN 36 H ASN 36 1.212 3.538 8.600 302 HA ASN 36 HA ASN 36 -0.167 2.974 11.013 303 1HB ASN 36 1HB ASN 36 1.073 5.431 9.697 304 2HB ASN 36 2HB ASN 36 0.543 5.316 11.346 305 1HD2 ASN 36 1HD2 ASN 36 3.308 5.814 10.242 306 2HD2 ASN 36 2HD2 ASN 36 4.252 4.401 10.730 307 H GLY 37 H GLY 37 -1.514 3.516 8.018 308 1HA GLY 37 1HA GLY 37 -3.582 4.224 7.312 309 2HA GLY 37 2HA GLY 37 -4.068 4.345 9.012 310 H LYS 38 H LYS 38 -1.285 6.238 8.034 311 HA LYS 38 HA LYS 38 -2.578 8.651 8.948 312 1HB LYS 38 1HB LYS 38 0.122 7.713 8.001 313 2HB LYS 38 2HB LYS 38 -0.246 9.362 7.641 314 1HG LYS 38 1HG LYS 38 -0.713 9.746 10.098 315 2HG LYS 38 2HG LYS 38 -0.243 8.058 10.358 316 1HD LYS 38 1HD LYS 38 1.657 9.323 10.880 317 2HD LYS 38 2HD LYS 38 1.981 8.513 9.366 318 1HE LYS 38 1HE LYS 38 2.856 10.808 9.369 319 2HE LYS 38 2HE LYS 38 1.633 10.603 8.113 320 1HZ LYS 38 1HZ LYS 38 1.109 11.805 10.766 321 2HZ LYS 38 2HZ LYS 38 1.359 12.666 9.390 322 3HZ LYS 38 3HZ LYS 38 0.062 11.722 9.469 323 H ALA 39 H ALA 39 -1.647 7.279 5.706 324 HA ALA 39 HA ALA 39 -2.741 9.633 4.313 325 1HB ALA 39 1HB ALA 39 -0.635 8.762 3.516 326 2HB ALA 39 2HB ALA 39 -1.280 7.111 3.506 327 3HB ALA 39 3HB ALA 39 -1.884 8.296 2.332 328 H LYS 40 H LYS 40 -4.957 9.350 4.986 329 HA LYS 40 HA LYS 40 -6.320 6.896 4.781 330 1HB LYS 40 1HB LYS 40 -6.951 8.900 6.173 331 2HB LYS 40 2HB LYS 40 -7.559 9.686 4.712 332 1HG LYS 40 1HG LYS 40 -9.326 8.658 6.055 333 2HG LYS 40 2HG LYS 40 -9.253 7.948 4.446 334 1HD LYS 40 1HD LYS 40 -8.293 5.932 5.218 335 2HD LYS 40 2HD LYS 40 -7.928 6.595 6.815 336 1HE LYS 40 1HE LYS 40 -10.732 6.170 5.649 337 2HE LYS 40 2HE LYS 40 -9.926 5.064 6.759 338 1HZ LYS 40 1HZ LYS 40 -10.778 7.828 7.387 339 2HZ LYS 40 2HZ LYS 40 -11.441 6.446 7.943 340 3HZ LYS 40 3HZ LYS 40 -9.930 6.867 8.427 341 H ARG 41 H ARG 41 -6.267 9.568 2.382 342 HA ARG 41 HA ARG 41 -7.322 7.716 0.325 343 1HB ARG 41 1HB ARG 41 -9.116 9.205 0.938 344 2HB ARG 41 2HB ARG 41 -8.048 10.579 0.996 345 1HG ARG 41 1HG ARG 41 -9.505 10.714 -0.942 346 2HG ARG 41 2HG ARG 41 -7.816 10.691 -1.389 347 1HD ARG 41 1HD ARG 41 -8.952 9.342 -2.946 348 2HD ARG 41 2HD ARG 41 -8.023 8.238 -1.920 349 HE ARG 41 HE ARG 41 -10.624 8.473 -0.822 350 1HH1 ARG 41 2HH2 ARG 41 -9.104 7.226 -3.801 351 2HH1 ARG 41 1HH2 ARG 41 -10.496 6.278 -4.238 352 1HH2 ARG 41 2HH1 ARG 41 -12.350 7.152 -1.338 353 2HH2 ARG 41 1HH1 ARG 41 -12.338 6.109 -2.729 354 HA PRO 42 HA PRO 42 -3.211 9.498 -0.733 355 1HB PRO 42 1HB PRO 42 -2.095 7.242 -1.845 356 2HB PRO 42 2HB PRO 42 -2.078 7.601 -0.093 357 1HG PRO 42 1HG PRO 42 -3.896 5.746 -1.610 358 2HG PRO 42 2HG PRO 42 -3.155 5.511 -0.015 359 1HD PRO 42 1HD PRO 42 -5.782 6.345 -0.394 360 2HD PRO 42 2HD PRO 42 -4.854 6.753 1.054 361 H ARG 43 H ARG 43 -2.681 10.353 -2.742 362 HA ARG 43 HA ARG 43 -4.463 10.254 -4.943 363 1HB ARG 43 1HB ARG 43 -2.422 11.093 -6.270 364 2HB ARG 43 2HB ARG 43 -3.090 12.109 -5.013 365 1HG ARG 43 1HG ARG 43 -1.274 11.802 -3.556 366 2HG ARG 43 2HG ARG 43 -0.704 10.336 -4.376 367 1HD ARG 43 1HD ARG 43 0.037 11.529 -6.279 368 2HD ARG 43 2HD ARG 43 -0.766 13.024 -5.770 369 HE ARG 43 HE ARG 43 0.924 12.657 -3.713 370 1HH1 ARG 43 2HH2 ARG 43 1.339 12.886 -7.216 371 2HH1 ARG 43 1HH2 ARG 43 2.967 13.470 -7.146 372 1HH2 ARG 43 2HH1 ARG 43 3.142 13.255 -3.591 373 2HH2 ARG 43 1HH1 ARG 43 3.893 13.949 -4.996 374 H PHE 44 H PHE 44 -1.362 8.544 -4.529 375 HA PHE 44 HA PHE 44 -1.388 7.318 -7.066 376 1HB PHE 44 1HB PHE 44 0.563 6.086 -6.113 377 2HB PHE 44 2HB PHE 44 0.634 7.816 -5.879 378 HD1 PHE 44 1HD PHE 44 -0.588 4.737 -4.038 379 HD2 PHE 44 2HD PHE 44 1.321 8.605 -3.755 380 HE1 PHE 44 1HE PHE 44 -0.250 4.379 -1.672 381 HE2 PHE 44 2HE PHE 44 1.701 8.219 -1.347 382 HZ PHE 44 HZ PHE 44 0.928 6.064 -0.286 383 H LEU 45 H LEU 45 -3.765 6.564 -4.966 384 HA LEU 45 HA LEU 45 -3.411 4.008 -4.044 385 1HB LEU 45 1HB LEU 45 -5.151 5.602 -3.360 386 2HB LEU 45 2HB LEU 45 -5.895 5.527 -4.943 387 HG LEU 45 HG LEU 45 -6.480 3.198 -4.594 388 1HD1 LEU 45 1HD1 LEU 45 -5.317 3.550 -1.792 389 2HD1 LEU 45 2HD1 LEU 45 -6.312 2.174 -2.323 390 3HD1 LEU 45 3HD1 LEU 45 -4.721 2.434 -3.050 391 1HD2 LEU 45 1HD2 LEU 45 -7.319 5.078 -2.333 392 2HD2 LEU 45 2HD2 LEU 45 -8.044 4.970 -3.951 393 3HD2 LEU 45 3HD2 LEU 45 -8.202 3.620 -2.823 394 HA PRO 46 HA PRO 46 -5.181 1.907 -7.886 395 1HB PRO 46 1HB PRO 46 -5.242 3.158 -10.334 396 2HB PRO 46 2HB PRO 46 -6.591 3.209 -9.168 397 1HG PRO 46 1HG PRO 46 -4.390 5.236 -9.571 398 2HG PRO 46 2HG PRO 46 -6.163 5.514 -9.483 399 1HD PRO 46 1HD PRO 46 -4.571 5.908 -7.353 400 2HD PRO 46 2HD PRO 46 -6.186 5.166 -7.153 401 H GLU 47 H GLU 47 -2.351 4.093 -8.167 402 HA GLU 47 HA GLU 47 -0.907 2.456 -10.044 403 1HB GLU 47 1HB GLU 47 0.105 4.407 -7.920 404 2HB GLU 47 2HB GLU 47 0.988 3.743 -9.257 405 1HG GLU 47 1HG GLU 47 -0.359 4.994 -10.864 406 2HG GLU 47 2HG GLU 47 -1.454 5.536 -9.585 407 H LEU 48 H LEU 48 -1.001 2.935 -6.473 408 HA LEU 48 HA LEU 48 0.880 0.862 -5.912 409 1HB LEU 48 1HB LEU 48 0.247 2.748 -4.425 410 2HB LEU 48 2HB LEU 48 -1.267 1.949 -4.052 411 HG LEU 48 HG LEU 48 1.202 0.239 -3.769 412 1HD1 LEU 48 1HD1 LEU 48 1.973 1.165 -1.714 413 2HD1 LEU 48 2HD1 LEU 48 2.064 2.423 -2.956 414 3HD1 LEU 48 3HD1 LEU 48 0.755 2.449 -1.749 415 1HD2 LEU 48 1HD2 LEU 48 0.145 -0.386 -1.606 416 2HD2 LEU 48 2HD2 LEU 48 -1.143 0.798 -1.907 417 3HD2 LEU 48 3HD2 LEU 48 -0.940 -0.610 -2.983 418 H ALA 49 H ALA 49 -2.671 0.867 -6.049 419 HA ALA 49 HA ALA 49 -2.943 -1.871 -5.292 420 1HB ALA 49 1HB ALA 49 -4.718 -0.416 -7.342 421 2HB ALA 49 2HB ALA 49 -5.195 -1.735 -6.258 422 3HB ALA 49 3HB ALA 49 -4.866 -0.130 -5.605 423 H ARG 50 H ARG 50 -2.545 -0.521 -8.649 424 HA ARG 50 HA ARG 50 -2.558 -3.075 -9.874 425 1HB ARG 50 1HB ARG 50 -2.858 -0.947 -11.076 426 2HB ARG 50 2HB ARG 50 -1.218 -0.436 -10.665 427 1HG ARG 50 1HG ARG 50 -1.203 -3.067 -11.940 428 2HG ARG 50 2HG ARG 50 -2.108 -1.925 -12.919 429 1HD ARG 50 1HD ARG 50 0.714 -1.408 -11.875 430 2HD ARG 50 2HD ARG 50 0.363 -2.109 -13.464 431 HE ARG 50 HE ARG 50 -1.149 0.205 -13.406 432 1HH1 ARG 50 2HH2 ARG 50 2.374 -0.461 -13.153 433 2HH1 ARG 50 1HH2 ARG 50 2.774 1.044 -13.918 434 1HH2 ARG 50 2HH1 ARG 50 -0.544 2.099 -14.418 435 2HH2 ARG 50 1HH1 ARG 50 1.167 2.488 -14.586 436 H ALA 51 H ALA 51 0.183 -1.077 -8.657 437 HA ALA 51 HA ALA 51 2.208 -2.899 -9.382 438 1HB ALA 51 1HB ALA 51 2.111 -0.896 -7.100 439 2HB ALA 51 2HB ALA 51 3.589 -1.655 -7.727 440 3HB ALA 51 3HB ALA 51 2.660 -0.566 -8.756 441 H LEU 52 H LEU 52 0.122 -2.764 -6.422 442 HA LEU 52 HA LEU 52 1.521 -4.923 -5.103 443 1HB LEU 52 1HB LEU 52 0.242 -3.040 -4.063 444 2HB LEU 52 2HB LEU 52 -1.240 -3.904 -4.513 445 HG LEU 52 HG LEU 52 -0.502 -5.745 -3.047 446 1HD1 LEU 52 1HD1 LEU 52 1.964 -5.667 -3.166 447 2HD1 LEU 52 2HD1 LEU 52 1.959 -4.030 -2.464 448 3HD1 LEU 52 3HD1 LEU 52 1.486 -5.423 -1.489 449 1HD2 LEU 52 1HD2 LEU 52 -0.222 -3.015 -1.722 450 2HD2 LEU 52 2HD2 LEU 52 -1.748 -3.844 -2.102 451 3HD2 LEU 52 3HD2 LEU 52 -0.652 -4.528 -0.887 452 H GLY 53 H GLY 53 -1.021 -4.691 -7.490 453 1HA GLY 53 1HA GLY 53 -1.950 -6.325 -8.806 454 2HA GLY 53 2HA GLY 53 -1.006 -7.552 -7.945 455 H VAL 54 H VAL 54 -3.353 -5.102 -6.799 456 HA VAL 54 HA VAL 54 -5.345 -7.165 -6.232 457 HB VAL 54 HB VAL 54 -5.745 -6.558 -3.973 458 1HG1 VAL 54 1HG1 VAL 54 -3.773 -7.250 -2.753 459 2HG1 VAL 54 2HG1 VAL 54 -3.858 -8.170 -4.247 460 3HG1 VAL 54 3HG1 VAL 54 -2.707 -6.827 -4.113 461 1HG2 VAL 54 1HG2 VAL 54 -3.795 -4.304 -4.445 462 2HG2 VAL 54 2HG2 VAL 54 -5.445 -4.294 -3.777 463 3HG2 VAL 54 3HG2 VAL 54 -4.100 -4.904 -2.807 464 H ALA 55 H ALA 55 -7.475 -5.978 -5.638 465 HA ALA 55 HA ALA 55 -7.896 -3.872 -7.605 466 1HB ALA 55 1HB ALA 55 -10.231 -3.931 -6.689 467 2HB ALA 55 2HB ALA 55 -9.623 -5.536 -7.127 468 3HB ALA 55 3HB ALA 55 -9.688 -5.048 -5.427 469 H VAL 56 H VAL 56 -8.678 -1.632 -7.094 470 HA VAL 56 HA VAL 56 -7.502 -0.318 -4.755 471 HB VAL 56 HB VAL 56 -9.511 0.425 -6.941 472 1HG1 VAL 56 1HG1 VAL 56 -10.254 1.705 -5.040 473 2HG1 VAL 56 2HG1 VAL 56 -8.591 2.149 -4.621 474 3HG1 VAL 56 3HG1 VAL 56 -9.356 2.790 -6.100 475 1HG2 VAL 56 1HG2 VAL 56 -7.771 1.986 -7.671 476 2HG2 VAL 56 2HG2 VAL 56 -6.727 1.488 -6.326 477 3HG2 VAL 56 3HG2 VAL 56 -7.128 0.344 -7.629 478 H ASP 57 H ASP 57 -10.660 -1.752 -5.684 479 HA ASP 57 HA ASP 57 -12.039 -1.003 -3.317 480 1HB ASP 57 1HB ASP 57 -13.010 -2.040 -5.432 481 2HB ASP 57 2HB ASP 57 -12.432 -3.604 -4.856 482 H TRP 58 H TRP 58 -9.923 -3.823 -3.996 483 HA TRP 58 HA TRP 58 -10.301 -5.061 -1.421 484 1HB TRP 58 1HB TRP 58 -9.266 -6.206 -3.410 485 2HB TRP 58 2HB TRP 58 -7.859 -5.164 -3.196 486 HD1 TRP 58 HD TRP 58 -9.623 -8.101 -1.766 487 HE1 TRP 58 1HE TRP 58 -8.157 -9.393 -0.072 488 HE3 TRP 58 3HE TRP 58 -5.817 -4.793 -1.418 489 HZ2 TRP 58 2HZ TRP 58 -5.482 -9.135 0.977 490 HZ3 TRP 58 3HZ TRP 58 -3.704 -5.399 -0.217 491 HH2 TRP 58 HH TRP 58 -3.546 -7.577 0.985 492 H LEU 59 H LEU 59 -8.025 -2.600 -2.753 493 HA LEU 59 HA LEU 59 -6.544 -2.425 -0.332 494 1HB LEU 59 1HB LEU 59 -6.743 -0.857 -2.831 495 2HB LEU 59 2HB LEU 59 -6.231 0.022 -1.436 496 HG LEU 59 HG LEU 59 -4.962 -2.407 -2.695 497 1HD1 LEU 59 1HD1 LEU 59 -4.538 -0.018 -3.483 498 2HD1 LEU 59 2HD1 LEU 59 -3.711 0.259 -1.947 499 3HD1 LEU 59 3HD1 LEU 59 -3.113 -0.977 -3.082 500 1HD2 LEU 59 1HD2 LEU 59 -4.555 -2.972 -0.388 501 2HD2 LEU 59 2HD2 LEU 59 -3.099 -2.159 -0.923 502 3HD2 LEU 59 3HD2 LEU 59 -4.283 -1.268 0.054 503 H LEU 60 H LEU 60 -9.398 -0.523 -1.365 504 HA LEU 60 HA LEU 60 -9.320 1.048 1.062 505 1HB LEU 60 1HB LEU 60 -11.335 0.606 -1.154 506 2HB LEU 60 2HB LEU 60 -11.794 1.495 0.280 507 HG LEU 60 HG LEU 60 -9.387 2.158 -1.489 508 1HD1 LEU 60 1HD1 LEU 60 -12.078 3.559 -1.392 509 2HD1 LEU 60 2HD1 LEU 60 -10.656 4.088 -2.325 510 3HD1 LEU 60 3HD1 LEU 60 -11.447 2.559 -2.713 511 1HD2 LEU 60 1HD2 LEU 60 -8.987 3.093 0.735 512 2HD2 LEU 60 2HD2 LEU 60 -9.441 4.413 -0.335 513 3HD2 LEU 60 3HD2 LEU 60 -10.635 3.746 0.798 514 H ASN 61 H ASN 61 -11.437 -1.604 0.044 515 HA ASN 61 HA ASN 61 -12.684 -1.738 2.683 516 1HB ASN 61 1HB ASN 61 -13.137 -3.410 0.166 517 2HB ASN 61 2HB ASN 61 -14.127 -3.423 1.615 518 1HD2 ASN 61 1HD2 ASN 61 -13.835 -2.034 -1.406 519 2HD2 ASN 61 2HD2 ASN 61 -14.432 -0.402 -1.113 520 H GLY 62 H GLY 62 -10.708 -3.969 0.641 521 1HA GLY 62 1HA GLY 62 -9.501 -5.841 1.187 522 2HA GLY 62 2HA GLY 62 -9.599 -5.355 2.880 523 H ALA 63 H ALA 63 -11.284 -6.943 0.229 524 HA ALA 63 HA ALA 63 -13.118 -8.191 0.042 525 1HB ALA 63 1HB ALA 63 -13.287 -10.163 1.537 526 2HB ALA 63 2HB ALA 63 -11.634 -9.898 0.935 527 3HB ALA 63 3HB ALA 63 -12.054 -9.458 2.599 Start of MODEL 7 1 1H MET 0 H MET 0 -10.546 -5.814 7.179 2 HA MET 0 HA MET 0 -8.815 -6.084 9.319 3 1HB MET 0 1HB MET 0 -7.678 -7.617 7.519 4 2HB MET 0 2HB MET 0 -7.152 -6.092 6.794 5 1HG MET 0 1HG MET 0 -5.422 -7.024 8.185 6 2HG MET 0 2HG MET 0 -6.004 -5.543 8.933 7 1HE MET 0 1HE MET 0 -4.562 -6.320 10.979 8 2HE MET 0 2HE MET 0 -4.880 -7.766 11.948 9 3HE MET 0 3HE MET 0 -4.188 -7.928 10.317 10 H LEU 1 H LEU 1 -7.057 -4.144 9.056 11 HA LEU 1 HA LEU 1 -8.602 -1.790 8.126 12 1HB LEU 1 1HB LEU 1 -5.783 -1.634 9.174 13 2HB LEU 1 2HB LEU 1 -6.993 -0.406 9.082 14 HG LEU 1 HG LEU 1 -8.409 -1.929 10.708 15 1HD1 LEU 1 1HD1 LEU 1 -6.752 -3.835 10.893 16 2HD1 LEU 1 2HD1 LEU 1 -5.559 -2.668 11.514 17 3HD1 LEU 1 3HD1 LEU 1 -7.020 -3.009 12.421 18 1HD2 LEU 1 1HD2 LEU 1 -7.565 0.373 11.179 19 2HD2 LEU 1 2HD2 LEU 1 -7.551 -0.683 12.599 20 3HD2 LEU 1 3HD2 LEU 1 -6.039 -0.354 11.737 21 H MET 2 H MET 2 -7.189 -0.178 6.933 22 HA MET 2 HA MET 2 -6.401 -1.320 4.343 23 1HB MET 2 1HB MET 2 -7.122 1.331 5.362 24 2HB MET 2 2HB MET 2 -5.796 1.367 4.177 25 1HG MET 2 1HG MET 2 -7.156 0.206 2.594 26 2HG MET 2 2HG MET 2 -8.413 -0.116 3.797 27 1HE MET 2 1HE MET 2 -8.314 3.301 0.892 28 2HE MET 2 2HE MET 2 -6.818 2.450 1.335 29 3HE MET 2 3HE MET 2 -8.194 1.543 0.672 30 H GLY 3 H GLY 3 -4.757 0.723 6.833 31 1HA GLY 3 1HA GLY 3 -2.175 0.580 5.835 32 2HA GLY 3 2HA GLY 3 -2.559 0.643 7.565 33 H GLU 4 H GLU 4 -3.764 -1.749 8.041 34 HA GLU 4 HA GLU 4 -1.648 -3.642 8.079 35 1HB GLU 4 1HB GLU 4 -4.643 -3.870 8.569 36 2HB GLU 4 2HB GLU 4 -3.526 -5.227 8.799 37 1HG GLU 4 1HG GLU 4 -3.412 -2.553 10.258 38 2HG GLU 4 2HG GLU 4 -3.986 -4.091 10.909 39 H ARG 5 H ARG 5 -4.468 -3.368 5.809 40 HA ARG 5 HA ARG 5 -3.924 -5.808 4.448 41 1HB ARG 5 1HB ARG 5 -5.449 -3.303 3.839 42 2HB ARG 5 2HB ARG 5 -4.770 -4.093 2.418 43 1HG ARG 5 1HG ARG 5 -5.754 -6.256 3.183 44 2HG ARG 5 2HG ARG 5 -6.569 -5.376 4.490 45 1HD ARG 5 1HD ARG 5 -6.886 -4.869 1.495 46 2HD ARG 5 2HD ARG 5 -7.975 -5.846 2.474 47 HE ARG 5 HE ARG 5 -8.061 -3.061 2.093 48 1HH1 ARG 5 2HH2 ARG 5 -8.597 -5.393 4.730 49 2HH1 ARG 5 1HH2 ARG 5 -9.527 -4.247 5.663 50 1HH2 ARG 5 2HH1 ARG 5 -9.512 -1.772 3.177 51 2HH2 ARG 5 1HH1 ARG 5 -10.256 -2.271 4.670 52 H ILE 6 H ILE 6 -2.640 -2.520 3.882 53 HA ILE 6 HA ILE 6 -1.100 -3.206 1.581 54 HB ILE 6 HB ILE 6 -0.722 -1.014 3.662 55 1HG1 ILE 6 1HG1 ILE 6 -1.895 -0.617 0.889 56 2HG1 ILE 6 2HG1 ILE 6 -2.929 -1.223 2.163 57 1HG2 ILE 6 1HG2 ILE 6 1.365 -1.304 2.382 58 2HG2 ILE 6 2HG2 ILE 6 0.471 -1.243 0.853 59 3HG2 ILE 6 3HG2 ILE 6 0.574 0.194 1.904 60 1HD1 ILE 6 1HD1 ILE 6 -3.218 1.117 2.115 61 2HD1 ILE 6 2HD1 ILE 6 -2.339 0.739 3.595 62 3HD1 ILE 6 3HD1 ILE 6 -1.468 1.418 2.200 63 H ARG 7 H ARG 7 -0.204 -2.945 5.044 64 HA ARG 7 HA ARG 7 2.434 -3.846 4.856 65 1HB ARG 7 1HB ARG 7 1.215 -2.750 6.762 66 2HB ARG 7 2HB ARG 7 0.413 -4.263 7.126 67 1HG ARG 7 1HG ARG 7 3.430 -4.247 6.986 68 2HG ARG 7 2HG ARG 7 2.654 -3.412 8.345 69 1HD ARG 7 1HD ARG 7 1.446 -5.391 9.003 70 2HD ARG 7 2HD ARG 7 1.996 -6.285 7.571 71 HE ARG 7 HE ARG 7 4.209 -5.293 9.088 72 1HH1 ARG 7 2HH2 ARG 7 1.607 -7.629 9.552 73 2HH1 ARG 7 1HH2 ARG 7 2.626 -8.866 10.230 74 1HH2 ARG 7 2HH1 ARG 7 5.586 -6.881 10.035 75 2HH2 ARG 7 1HH1 ARG 7 4.922 -8.313 10.726 76 H ALA 8 H ALA 8 -0.530 -5.780 5.387 77 HA ALA 8 HA ALA 8 0.732 -8.284 5.684 78 1HB ALA 8 1HB ALA 8 -1.607 -7.907 6.343 79 2HB ALA 8 2HB ALA 8 -2.069 -7.657 4.640 80 3HB ALA 8 3HB ALA 8 -1.495 -9.244 5.187 81 H ARG 9 H ARG 9 -0.695 -6.740 2.746 82 HA ARG 9 HA ARG 9 -0.050 -8.835 0.984 83 1HB ARG 9 1HB ARG 9 -1.349 -6.354 0.826 84 2HB ARG 9 2HB ARG 9 0.065 -6.100 -0.144 85 1HG ARG 9 1HG ARG 9 -2.264 -7.987 -0.615 86 2HG ARG 9 2HG ARG 9 -1.673 -6.705 -1.585 87 1HD ARG 9 1HD ARG 9 0.491 -8.361 -1.712 88 2HD ARG 9 2HD ARG 9 -0.755 -9.530 -1.279 89 HE ARG 9 HE ARG 9 -1.244 -7.566 -3.426 90 1HH1 ARG 9 2HH2 ARG 9 -0.455 -10.949 -2.596 91 2HH1 ARG 9 1HH2 ARG 9 -1.010 -11.615 -4.081 92 1HH2 ARG 9 2HH1 ARG 9 -2.058 -8.555 -5.485 93 2HH2 ARG 9 1HH1 ARG 9 -1.967 -10.257 -5.706 94 H ARG 10 H ARG 10 1.864 -5.956 2.024 95 HA ARG 10 HA ARG 10 3.980 -6.351 0.180 96 1HB ARG 10 1HB ARG 10 3.580 -4.326 1.956 97 2HB ARG 10 2HB ARG 10 4.495 -5.371 2.991 98 1HG ARG 10 1HG ARG 10 6.374 -5.424 1.458 99 2HG ARG 10 2HG ARG 10 5.451 -4.668 0.169 100 1HD ARG 10 1HD ARG 10 7.112 -3.143 1.500 101 2HD ARG 10 2HD ARG 10 5.510 -2.566 1.144 102 HE ARG 10 HE ARG 10 4.861 -2.531 3.197 103 1HH1 ARG 10 2HH2 ARG 10 7.571 -4.975 3.313 104 2HH1 ARG 10 1HH2 ARG 10 7.425 -5.099 5.012 105 1HH2 ARG 10 2HH1 ARG 10 4.869 -2.681 5.317 106 2HH2 ARG 10 1HH1 ARG 10 5.701 -3.947 6.178 107 H ILE 11 H ILE 11 3.650 -7.455 3.584 108 HA ILE 11 HA ILE 11 6.026 -9.032 3.633 109 HB ILE 11 HB ILE 11 3.480 -9.091 5.266 110 1HG1 ILE 11 1HG1 ILE 11 4.757 -6.962 5.466 111 2HG1 ILE 11 2HG1 ILE 11 4.747 -7.860 6.967 112 1HG2 ILE 11 1HG2 ILE 11 6.105 -10.552 5.802 113 2HG2 ILE 11 2HG2 ILE 11 4.868 -10.253 7.043 114 3HG2 ILE 11 3HG2 ILE 11 4.483 -11.244 5.645 115 1HD1 ILE 11 1HD1 ILE 11 7.086 -7.702 5.006 116 2HD1 ILE 11 2HD1 ILE 11 6.934 -6.842 6.540 117 3HD1 ILE 11 3HD1 ILE 11 7.089 -8.598 6.546 118 H GLN 12 H GLN 12 2.699 -9.789 2.620 119 HA GLN 12 HA GLN 12 3.056 -12.545 2.110 120 1HB GLN 12 1HB GLN 12 0.913 -11.072 1.891 121 2HB GLN 12 2HB GLN 12 1.466 -10.812 0.227 122 1HG GLN 12 1HG GLN 12 1.601 -13.392 0.065 123 2HG GLN 12 2HG GLN 12 0.764 -13.413 1.630 124 1HE2 GLN 12 1HE2 GLN 12 0.424 -12.908 -1.841 125 2HE2 GLN 12 2HE2 GLN 12 -1.327 -12.700 -1.749 126 H LEU 13 H LEU 13 4.018 -9.773 0.170 127 HA LEU 13 HA LEU 13 5.253 -11.462 -1.904 128 1HB LEU 13 1HB LEU 13 4.073 -9.366 -2.452 129 2HB LEU 13 2HB LEU 13 5.220 -8.444 -1.474 130 HG LEU 13 HG LEU 13 7.034 -9.022 -3.040 131 1HD1 LEU 13 1HD1 LEU 13 6.275 -11.217 -3.837 132 2HD1 LEU 13 2HD1 LEU 13 4.864 -10.470 -4.613 133 3HD1 LEU 13 3HD1 LEU 13 6.517 -10.124 -5.190 134 1HD2 LEU 13 1HD2 LEU 13 6.309 -7.671 -4.906 135 2HD2 LEU 13 2HD2 LEU 13 4.596 -7.965 -4.515 136 3HD2 LEU 13 3HD2 LEU 13 5.610 -7.007 -3.410 137 H GLY 14 H GLY 14 6.060 -10.520 1.206 138 1HA GLY 14 1HA GLY 14 7.882 -10.588 2.490 139 2HA GLY 14 2HA GLY 14 8.740 -11.404 1.190 140 H LEU 15 H LEU 15 7.384 -8.215 0.495 141 HA LEU 15 HA LEU 15 10.182 -7.421 -0.141 142 1HB LEU 15 1HB LEU 15 7.402 -6.547 -0.941 143 2HB LEU 15 2HB LEU 15 8.578 -5.271 -0.800 144 HG LEU 15 HG LEU 15 8.582 -7.545 -2.738 145 1HD1 LEU 15 1HD1 LEU 15 8.730 -5.793 -4.386 146 2HD1 LEU 15 2HD1 LEU 15 7.410 -5.422 -3.259 147 3HD1 LEU 15 3HD1 LEU 15 8.960 -4.566 -3.131 148 1HD2 LEU 15 1HD2 LEU 15 10.812 -7.774 -2.251 149 2HD2 LEU 15 2HD2 LEU 15 10.832 -6.622 -3.574 150 3HD2 LEU 15 3HD2 LEU 15 11.057 -6.064 -1.901 151 H ASN 16 H ASN 16 10.886 -5.204 0.468 152 HA ASN 16 HA ASN 16 10.048 -4.506 3.256 153 1HB ASN 16 1HB ASN 16 12.339 -3.356 1.631 154 2HB ASN 16 2HB ASN 16 11.958 -2.972 3.282 155 1HD2 ASN 16 1HD2 ASN 16 13.712 -5.415 1.333 156 2HD2 ASN 16 2HD2 ASN 16 14.010 -6.415 2.733 157 H GLN 17 H GLN 17 9.733 -2.089 3.712 158 HA GLN 17 HA GLN 17 7.751 -0.941 2.105 159 1HB GLN 17 1HB GLN 17 9.778 0.380 3.964 160 2HB GLN 17 2HB GLN 17 8.317 1.156 3.355 161 1HG GLN 17 1HG GLN 17 6.942 -0.630 4.421 162 2HG GLN 17 2HG GLN 17 8.402 -1.346 5.105 163 1HE2 GLN 17 1HE2 GLN 17 6.073 -0.241 6.366 164 2HE2 GLN 17 2HE2 GLN 17 6.617 1.038 7.502 165 H ALA 18 H ALA 18 11.284 -0.421 2.087 166 HA ALA 18 HA ALA 18 11.361 1.694 0.247 167 1HB ALA 18 1HB ALA 18 13.760 0.965 -0.024 168 2HB ALA 18 2HB ALA 18 13.273 1.036 1.679 169 3HB ALA 18 3HB ALA 18 13.381 -0.528 0.846 170 H GLU 19 H GLU 19 11.388 -1.835 -0.318 171 HA GLU 19 HA GLU 19 11.883 -1.599 -3.123 172 1HB GLU 19 1HB GLU 19 10.727 -3.823 -1.393 173 2HB GLU 19 2HB GLU 19 11.352 -4.027 -3.031 174 1HG GLU 19 1HG GLU 19 13.237 -2.824 -0.983 175 2HG GLU 19 2HG GLU 19 12.764 -4.478 -0.758 176 H LEU 20 H LEU 20 8.919 -2.238 -1.127 177 HA LEU 20 HA LEU 20 7.137 -2.436 -3.330 178 1HB LEU 20 1HB LEU 20 6.394 -3.008 -1.078 179 2HB LEU 20 2HB LEU 20 6.618 -1.337 -0.541 180 HG LEU 20 HG LEU 20 4.845 -0.584 -2.139 181 1HD1 LEU 20 1HD1 LEU 20 4.985 -2.373 -3.813 182 2HD1 LEU 20 2HD1 LEU 20 4.404 -3.567 -2.623 183 3HD1 LEU 20 3HD1 LEU 20 3.351 -2.244 -3.188 184 1HD2 LEU 20 1HD2 LEU 20 4.219 -1.102 0.184 185 2HD2 LEU 20 2HD2 LEU 20 2.915 -1.381 -0.958 186 3HD2 LEU 20 3HD2 LEU 20 3.807 -2.766 -0.308 187 H ALA 21 H ALA 21 8.278 0.383 -1.451 188 HA ALA 21 HA ALA 21 6.802 2.375 -2.650 189 1HB ALA 21 1HB ALA 21 8.230 2.759 -0.722 190 2HB ALA 21 2HB ALA 21 9.690 2.451 -1.672 191 3HB ALA 21 3HB ALA 21 8.690 3.846 -2.039 192 H GLN 22 H GLN 22 10.101 1.310 -3.616 193 HA GLN 22 HA GLN 22 10.234 2.942 -5.931 194 1HB GLN 22 1HB GLN 22 11.639 0.364 -5.144 195 2HB GLN 22 2HB GLN 22 12.008 1.239 -6.638 196 1HG GLN 22 1HG GLN 22 12.597 3.258 -5.392 197 2HG GLN 22 2HG GLN 22 12.118 2.505 -3.873 198 1HE2 GLN 22 1HE2 GLN 22 14.454 2.196 -6.596 199 2HE2 GLN 22 2HE2 GLN 22 15.623 1.260 -5.643 200 H LYS 23 H LYS 23 9.029 -0.438 -5.603 201 HA LYS 23 HA LYS 23 8.577 -0.588 -8.476 202 1HB LYS 23 1HB LYS 23 9.115 -2.624 -8.030 203 2HB LYS 23 2HB LYS 23 8.929 -2.450 -6.314 204 1HG LYS 23 1HG LYS 23 6.686 -3.189 -8.199 205 2HG LYS 23 2HG LYS 23 7.676 -4.326 -7.301 206 1HD LYS 23 1HD LYS 23 6.818 -3.717 -5.208 207 2HD LYS 23 2HD LYS 23 6.269 -2.140 -5.780 208 1HE LYS 23 1HE LYS 23 4.278 -3.388 -5.570 209 2HE LYS 23 2HE LYS 23 4.637 -3.279 -7.286 210 1HZ LYS 23 1HZ LYS 23 4.001 -5.466 -6.840 211 2HZ LYS 23 2HZ LYS 23 5.587 -5.549 -7.151 212 3HZ LYS 23 3HZ LYS 23 5.067 -5.668 -5.595 213 H VAL 24 H VAL 24 6.828 1.011 -6.103 214 HA VAL 24 HA VAL 24 4.373 0.920 -7.784 215 HB VAL 24 HB VAL 24 4.926 2.374 -5.176 216 1HG1 VAL 24 1HG1 VAL 24 2.478 2.728 -5.073 217 2HG1 VAL 24 2HG1 VAL 24 3.180 3.512 -6.491 218 3HG1 VAL 24 3HG1 VAL 24 2.325 1.981 -6.685 219 1HG2 VAL 24 1HG2 VAL 24 3.985 0.718 -3.934 220 2HG2 VAL 24 2HG2 VAL 24 2.856 0.214 -5.185 221 3HG2 VAL 24 3HG2 VAL 24 4.519 -0.342 -5.251 222 H GLY 25 H GLY 25 7.124 2.974 -6.766 223 1HA GLY 25 1HA GLY 25 7.961 4.648 -8.311 224 2HA GLY 25 2HA GLY 25 6.297 5.127 -8.654 225 H VAL 26 H VAL 26 6.627 4.408 -5.283 226 HA VAL 26 HA VAL 26 6.550 7.282 -4.675 227 HB VAL 26 HB VAL 26 5.178 6.643 -2.849 228 1HG1 VAL 26 1HG1 VAL 26 4.087 6.888 -5.072 229 2HG1 VAL 26 2HG1 VAL 26 4.187 5.132 -5.293 230 3HG1 VAL 26 3HG1 VAL 26 3.207 5.804 -3.986 231 1HG2 VAL 26 1HG2 VAL 26 6.113 4.514 -2.148 232 2HG2 VAL 26 2HG2 VAL 26 4.368 4.404 -2.385 233 3HG2 VAL 26 3HG2 VAL 26 5.464 3.743 -3.613 234 H ASP 27 H ASP 27 7.175 7.535 -2.130 235 HA ASP 27 HA ASP 27 9.954 6.786 -1.848 236 1HB ASP 27 1HB ASP 27 9.174 7.985 0.486 237 2HB ASP 27 2HB ASP 27 9.802 8.833 -0.905 238 H GLN 28 H GLN 28 10.675 5.718 0.103 239 HA GLN 28 HA GLN 28 9.224 3.422 1.045 240 1HB GLN 28 1HB GLN 28 11.689 3.737 1.117 241 2HB GLN 28 2HB GLN 28 11.475 5.055 2.264 242 1HG GLN 28 1HG GLN 28 10.296 3.262 3.772 243 2HG GLN 28 2HG GLN 28 11.104 2.102 2.726 244 1HE2 GLN 28 1HE2 GLN 28 11.412 4.116 5.408 245 2HE2 GLN 28 2HE2 GLN 28 13.173 4.067 5.582 246 H GLN 29 H GLN 29 9.678 6.733 2.258 247 HA GLN 29 HA GLN 29 8.403 6.457 4.718 248 1HB GLN 29 1HB GLN 29 9.799 8.428 3.822 249 2HB GLN 29 2HB GLN 29 8.360 8.944 2.944 250 1HG GLN 29 1HG GLN 29 8.288 10.248 4.864 251 2HG GLN 29 2HG GLN 29 7.179 8.948 5.280 252 1HE2 GLN 29 1HE2 GLN 29 10.419 10.339 5.829 253 2HE2 GLN 29 2HE2 GLN 29 10.712 9.513 7.346 254 H ALA 30 H ALA 30 7.024 7.275 1.463 255 HA ALA 30 HA ALA 30 4.384 7.706 2.274 256 1HB ALA 30 1HB ALA 30 3.750 7.238 -0.052 257 2HB ALA 30 2HB ALA 30 5.125 8.332 0.051 258 3HB ALA 30 3HB ALA 30 5.375 6.619 -0.383 259 H ILE 31 H ILE 31 6.062 4.571 1.736 260 HA ILE 31 HA ILE 31 3.574 3.058 1.966 261 HB ILE 31 HB ILE 31 6.479 2.215 2.310 262 1HG1 ILE 31 1HG1 ILE 31 6.216 2.966 0.080 263 2HG1 ILE 31 2HG1 ILE 31 6.249 1.221 0.071 264 1HG2 ILE 31 1HG2 ILE 31 5.629 -0.100 1.915 265 2HG2 ILE 31 2HG2 ILE 31 5.096 0.612 3.434 266 3HG2 ILE 31 3HG2 ILE 31 3.967 0.517 2.078 267 1HD1 ILE 31 1HD1 ILE 31 3.708 1.259 -0.183 268 2HD1 ILE 31 2HD1 ILE 31 3.822 3.028 -0.334 269 3HD1 ILE 31 3HD1 ILE 31 4.603 1.985 -1.530 270 H GLU 32 H GLU 32 6.221 4.028 4.206 271 HA GLU 32 HA GLU 32 5.299 2.614 6.472 272 1HB GLU 32 1HB GLU 32 7.473 3.499 6.472 273 2HB GLU 32 2HB GLU 32 6.950 5.113 6.048 274 1HG GLU 32 1HG GLU 32 7.713 5.111 8.309 275 2HG GLU 32 2HG GLU 32 5.999 5.466 8.272 276 H GLN 33 H GLN 33 4.572 6.008 5.523 277 HA GLN 33 HA GLN 33 2.780 6.462 7.694 278 1HB GLN 33 1HB GLN 33 2.064 8.432 6.520 279 2HB GLN 33 2HB GLN 33 3.816 8.220 6.428 280 1HG GLN 33 1HG GLN 33 3.399 7.134 4.161 281 2HG GLN 33 2HG GLN 33 1.743 7.718 4.259 282 1HE2 GLN 33 1HE2 GLN 33 2.018 9.336 2.390 283 2HE2 GLN 33 2HE2 GLN 33 3.104 10.674 2.641 284 H LEU 34 H LEU 34 2.242 4.918 4.502 285 HA LEU 34 HA LEU 34 -0.617 5.033 4.690 286 1HB LEU 34 1HB LEU 34 1.518 3.803 2.985 287 2HB LEU 34 2HB LEU 34 0.093 2.818 3.102 288 HG LEU 34 HG LEU 34 -0.044 5.788 2.528 289 1HD1 LEU 34 1HD1 LEU 34 1.325 4.647 0.783 290 2HD1 LEU 34 2HD1 LEU 34 0.080 3.416 0.584 291 3HD1 LEU 34 3HD1 LEU 34 -0.257 5.102 0.116 292 1HD2 LEU 34 1HD2 LEU 34 -2.229 5.389 1.688 293 2HD2 LEU 34 2HD2 LEU 34 -2.032 3.627 1.731 294 3HD2 LEU 34 3HD2 LEU 34 -2.168 4.547 3.233 295 H GLU 35 H GLU 35 1.833 2.669 5.464 296 HA GLU 35 HA GLU 35 0.044 0.586 6.363 297 1HB GLU 35 1HB GLU 35 3.017 1.080 6.740 298 2HB GLU 35 2HB GLU 35 2.175 -0.355 7.368 299 1HG GLU 35 1HG GLU 35 1.365 -0.926 5.128 300 2HG GLU 35 2HG GLU 35 2.113 0.495 4.428 301 H ASN 36 H ASN 36 1.563 3.374 7.962 302 HA ASN 36 HA ASN 36 0.849 2.777 10.641 303 1HB ASN 36 1HB ASN 36 1.735 5.104 8.973 304 2HB ASN 36 2HB ASN 36 0.814 5.551 10.357 305 1HD2 ASN 36 1HD2 ASN 36 3.712 5.880 9.643 306 2HD2 ASN 36 2HD2 ASN 36 4.637 4.949 10.805 307 H GLY 37 H GLY 37 -1.133 3.690 7.907 308 1HA GLY 37 1HA GLY 37 -3.413 4.144 7.861 309 2HA GLY 37 2HA GLY 37 -3.466 4.183 9.624 310 H LYS 38 H LYS 38 -0.909 6.162 8.121 311 HA LYS 38 HA LYS 38 -2.202 8.567 9.108 312 1HB LYS 38 1HB LYS 38 0.483 7.783 8.086 313 2HB LYS 38 2HB LYS 38 -0.069 9.316 7.501 314 1HG LYS 38 1HG LYS 38 -0.578 9.674 10.152 315 2HG LYS 38 2HG LYS 38 0.648 8.392 10.241 316 1HD LYS 38 1HD LYS 38 1.904 10.341 10.381 317 2HD LYS 38 2HD LYS 38 2.065 9.830 8.690 318 1HE LYS 38 1HE LYS 38 0.282 11.463 8.042 319 2HE LYS 38 2HE LYS 38 0.102 11.937 9.739 320 1HZ LYS 38 1HZ LYS 38 2.437 12.682 9.662 321 2HZ LYS 38 2HZ LYS 38 2.480 12.337 8.049 322 3HZ LYS 38 3HZ LYS 38 1.483 13.514 8.640 323 H ALA 39 H ALA 39 -1.297 7.257 5.722 324 HA ALA 39 HA ALA 39 -3.141 9.267 4.597 325 1HB ALA 39 1HB ALA 39 -1.040 8.749 3.403 326 2HB ALA 39 2HB ALA 39 -1.501 7.038 3.377 327 3HB ALA 39 3HB ALA 39 -2.455 8.223 2.465 328 H LYS 40 H LYS 40 -5.295 8.790 4.612 329 HA LYS 40 HA LYS 40 -6.188 5.993 4.870 330 1HB LYS 40 1HB LYS 40 -7.380 8.091 5.842 331 2HB LYS 40 2HB LYS 40 -8.032 8.325 4.228 332 1HG LYS 40 1HG LYS 40 -8.389 5.938 6.088 333 2HG LYS 40 2HG LYS 40 -9.605 7.113 5.586 334 1HD LYS 40 1HD LYS 40 -9.424 6.208 3.229 335 2HD LYS 40 2HD LYS 40 -8.318 4.974 3.854 336 1HE LYS 40 1HE LYS 40 -10.462 3.967 3.707 337 2HE LYS 40 2HE LYS 40 -10.084 4.185 5.419 338 1HZ LYS 40 1HZ LYS 40 -11.559 6.070 5.465 339 2HZ LYS 40 2HZ LYS 40 -11.833 5.951 3.805 340 3HZ LYS 40 3HZ LYS 40 -12.344 4.785 4.811 341 H ARG 41 H ARG 41 -6.987 8.531 2.399 342 HA ARG 41 HA ARG 41 -6.773 6.473 0.278 343 1HB ARG 41 1HB ARG 41 -7.862 8.964 -0.661 344 2HB ARG 41 2HB ARG 41 -8.565 7.370 -0.703 345 1HG ARG 41 1HG ARG 41 -9.695 7.714 1.392 346 2HG ARG 41 2HG ARG 41 -8.789 9.200 1.733 347 1HD ARG 41 1HD ARG 41 -10.684 8.860 -0.616 348 2HD ARG 41 2HD ARG 41 -11.121 9.599 0.928 349 HE ARG 41 HE ARG 41 -9.593 10.786 -1.244 350 1HH1 ARG 41 2HH2 ARG 41 -10.368 11.085 2.245 351 2HH1 ARG 41 1HH2 ARG 41 -9.609 12.615 2.398 352 1HH2 ARG 41 2HH1 ARG 41 -8.714 12.914 -1.022 353 2HH2 ARG 41 1HH1 ARG 41 -8.899 13.738 0.486 354 HA PRO 42 HA PRO 42 -3.062 9.130 -0.346 355 1HB PRO 42 1HB PRO 42 -1.534 7.370 -1.766 356 2HB PRO 42 2HB PRO 42 -1.687 7.276 0.016 357 1HG PRO 42 1HG PRO 42 -3.191 5.703 -2.082 358 2HG PRO 42 2HG PRO 42 -2.404 5.066 -0.625 359 1HD PRO 42 1HD PRO 42 -5.087 5.606 -0.735 360 2HD PRO 42 2HD PRO 42 -4.163 5.837 0.768 361 H ARG 43 H ARG 43 -2.440 10.244 -2.303 362 HA ARG 43 HA ARG 43 -4.384 10.392 -4.376 363 1HB ARG 43 1HB ARG 43 -2.801 11.821 -5.564 364 2HB ARG 43 2HB ARG 43 -2.895 12.222 -3.852 365 1HG ARG 43 1HG ARG 43 -0.745 10.807 -3.548 366 2HG ARG 43 2HG ARG 43 -0.625 10.809 -5.320 367 1HD ARG 43 1HD ARG 43 -0.579 13.291 -5.303 368 2HD ARG 43 2HD ARG 43 -0.853 13.279 -3.566 369 HE ARG 43 HE ARG 43 1.312 12.824 -3.144 370 1HH1 ARG 43 2HH2 ARG 43 0.851 12.309 -6.676 371 2HH1 ARG 43 1HH2 ARG 43 2.537 11.987 -6.934 372 1HH2 ARG 43 2HH1 ARG 43 3.530 12.778 -3.626 373 2HH2 ARG 43 1HH1 ARG 43 4.080 12.449 -5.234 374 H PHE 44 H PHE 44 -1.408 8.472 -4.190 375 HA PHE 44 HA PHE 44 -1.684 7.435 -6.899 376 1HB PHE 44 1HB PHE 44 0.406 6.221 -6.273 377 2HB PHE 44 2HB PHE 44 0.523 7.934 -6.105 378 HD1 PHE 44 1HD PHE 44 0.169 4.765 -4.271 379 HD2 PHE 44 2HD PHE 44 1.050 8.956 -3.976 380 HE1 PHE 44 1HE PHE 44 0.884 4.435 -1.910 381 HE2 PHE 44 2HE PHE 44 1.806 8.629 -1.654 382 HZ PHE 44 HZ PHE 44 1.637 6.399 -0.566 383 H LEU 45 H LEU 45 -3.824 6.733 -4.607 384 HA LEU 45 HA LEU 45 -3.564 4.164 -3.723 385 1HB LEU 45 1HB LEU 45 -5.274 5.728 -3.027 386 2HB LEU 45 2HB LEU 45 -5.955 5.800 -4.645 387 HG LEU 45 HG LEU 45 -6.679 3.463 -4.414 388 1HD1 LEU 45 1HD1 LEU 45 -5.824 3.663 -1.505 389 2HD1 LEU 45 2HD1 LEU 45 -6.681 2.317 -2.272 390 3HD1 LEU 45 3HD1 LEU 45 -5.015 2.678 -2.736 391 1HD2 LEU 45 1HD2 LEU 45 -8.474 3.998 -2.683 392 2HD2 LEU 45 2HD2 LEU 45 -7.543 5.425 -2.227 393 3HD2 LEU 45 3HD2 LEU 45 -8.231 5.278 -3.870 394 HA PRO 46 HA PRO 46 -5.158 2.085 -7.584 395 1HB PRO 46 1HB PRO 46 -5.109 3.284 -10.050 396 2HB PRO 46 2HB PRO 46 -6.510 3.287 -8.939 397 1HG PRO 46 1HG PRO 46 -4.497 5.477 -9.360 398 2HG PRO 46 2HG PRO 46 -6.274 5.591 -9.192 399 1HD PRO 46 1HD PRO 46 -4.546 6.076 -7.131 400 2HD PRO 46 2HD PRO 46 -6.176 5.380 -6.878 401 H GLU 47 H GLU 47 -2.284 4.251 -7.826 402 HA GLU 47 HA GLU 47 -0.854 2.486 -9.638 403 1HB GLU 47 1HB GLU 47 0.013 4.734 -7.764 404 2HB GLU 47 2HB GLU 47 1.105 3.770 -8.700 405 1HG GLU 47 1HG GLU 47 0.952 5.479 -10.139 406 2HG GLU 47 2HG GLU 47 -0.420 4.551 -10.740 407 H LEU 48 H LEU 48 -1.139 3.080 -6.115 408 HA LEU 48 HA LEU 48 0.744 1.110 -5.246 409 1HB LEU 48 1HB LEU 48 -0.129 2.780 -3.708 410 2HB LEU 48 2HB LEU 48 -1.776 2.198 -3.929 411 HG LEU 48 HG LEU 48 -1.089 -0.020 -2.921 412 1HD1 LEU 48 1HD1 LEU 48 1.539 1.446 -2.377 413 2HD1 LEU 48 2HD1 LEU 48 1.032 -0.071 -1.603 414 3HD1 LEU 48 3HD1 LEU 48 1.319 -0.035 -3.342 415 1HD2 LEU 48 1HD2 LEU 48 -0.643 2.487 -1.289 416 2HD2 LEU 48 2HD2 LEU 48 -2.182 1.665 -1.597 417 3HD2 LEU 48 3HD2 LEU 48 -0.938 0.865 -0.616 418 H ALA 49 H ALA 49 -2.830 1.006 -5.716 419 HA ALA 49 HA ALA 49 -2.960 -1.763 -4.936 420 1HB ALA 49 1HB ALA 49 -4.874 -0.461 -6.958 421 2HB ALA 49 2HB ALA 49 -5.236 -1.706 -5.744 422 3HB ALA 49 3HB ALA 49 -4.929 -0.037 -5.248 423 H ARG 50 H ARG 50 -2.634 -0.321 -8.214 424 HA ARG 50 HA ARG 50 -2.653 -2.719 -9.721 425 1HB ARG 50 1HB ARG 50 -1.299 -0.008 -10.051 426 2HB ARG 50 2HB ARG 50 -1.097 -1.282 -11.229 427 1HG ARG 50 1HG ARG 50 -3.392 -1.314 -11.844 428 2HG ARG 50 2HG ARG 50 -3.871 -0.341 -10.457 429 1HD ARG 50 1HD ARG 50 -3.835 1.012 -12.519 430 2HD ARG 50 2HD ARG 50 -2.680 1.598 -11.322 431 HE ARG 50 HE ARG 50 -1.719 -0.265 -13.420 432 1HH1 ARG 50 2HH2 ARG 50 -1.841 3.118 -12.286 433 2HH1 ARG 50 1HH2 ARG 50 -0.388 3.594 -13.060 434 1HH2 ARG 50 2HH1 ARG 50 0.044 0.427 -14.729 435 2HH2 ARG 50 1HH1 ARG 50 0.649 2.046 -14.593 436 H ALA 51 H ALA 51 0.156 -0.953 -8.302 437 HA ALA 51 HA ALA 51 2.059 -2.914 -9.056 438 1HB ALA 51 1HB ALA 51 2.063 -0.775 -6.905 439 2HB ALA 51 2HB ALA 51 3.506 -1.693 -7.366 440 3HB ALA 51 3HB ALA 51 2.723 -0.652 -8.550 441 H LEU 52 H LEU 52 0.115 -2.568 -6.037 442 HA LEU 52 HA LEU 52 1.308 -4.769 -4.627 443 1HB LEU 52 1HB LEU 52 -0.352 -2.790 -3.915 444 2HB LEU 52 2HB LEU 52 -1.541 -4.025 -4.187 445 HG LEU 52 HG LEU 52 -0.272 -5.419 -2.555 446 1HD1 LEU 52 1HD1 LEU 52 2.030 -4.469 -2.659 447 2HD1 LEU 52 2HD1 LEU 52 1.409 -2.902 -2.091 448 3HD1 LEU 52 3HD1 LEU 52 1.413 -4.317 -1.021 449 1HD2 LEU 52 1HD2 LEU 52 -2.131 -4.005 -1.820 450 2HD2 LEU 52 2HD2 LEU 52 -0.901 -4.076 -0.544 451 3HD2 LEU 52 3HD2 LEU 52 -1.021 -2.634 -1.579 452 H GLY 53 H GLY 53 -1.072 -4.513 -7.194 453 1HA GLY 53 1HA GLY 53 -1.798 -6.156 -8.648 454 2HA GLY 53 2HA GLY 53 -1.097 -7.411 -7.611 455 H VAL 54 H VAL 54 -3.438 -4.775 -6.791 456 HA VAL 54 HA VAL 54 -5.541 -6.773 -6.370 457 HB VAL 54 HB VAL 54 -6.073 -6.004 -4.144 458 1HG1 VAL 54 1HG1 VAL 54 -3.105 -6.680 -4.138 459 2HG1 VAL 54 2HG1 VAL 54 -4.268 -6.909 -2.818 460 3HG1 VAL 54 3HG1 VAL 54 -4.427 -7.868 -4.285 461 1HG2 VAL 54 1HG2 VAL 54 -4.320 -4.538 -2.919 462 2HG2 VAL 54 2HG2 VAL 54 -3.792 -4.054 -4.533 463 3HG2 VAL 54 3HG2 VAL 54 -5.462 -3.755 -4.013 464 H ALA 55 H ALA 55 -7.657 -5.543 -5.968 465 HA ALA 55 HA ALA 55 -7.883 -3.228 -7.747 466 1HB ALA 55 1HB ALA 55 -9.645 -4.927 -7.633 467 2HB ALA 55 2HB ALA 55 -9.865 -4.634 -5.896 468 3HB ALA 55 3HB ALA 55 -10.280 -3.374 -7.072 469 H VAL 56 H VAL 56 -8.529 -1.058 -7.012 470 HA VAL 56 HA VAL 56 -7.713 -0.143 -4.372 471 HB VAL 56 HB VAL 56 -9.524 0.965 -6.574 472 1HG1 VAL 56 1HG1 VAL 56 -8.656 2.135 -3.926 473 2HG1 VAL 56 2HG1 VAL 56 -9.148 3.167 -5.297 474 3HG1 VAL 56 3HG1 VAL 56 -10.295 2.020 -4.591 475 1HG2 VAL 56 1HG2 VAL 56 -7.604 2.527 -6.925 476 2HG2 VAL 56 2HG2 VAL 56 -6.670 1.612 -5.717 477 3HG2 VAL 56 3HG2 VAL 56 -7.165 0.845 -7.231 478 H ASP 57 H ASP 57 -10.753 -1.403 -5.812 479 HA ASP 57 HA ASP 57 -12.385 -1.036 -3.535 480 1HB ASP 57 1HB ASP 57 -13.075 -1.886 -5.821 481 2HB ASP 57 2HB ASP 57 -12.467 -3.474 -5.343 482 H TRP 58 H TRP 58 -10.011 -3.603 -4.209 483 HA TRP 58 HA TRP 58 -10.614 -5.159 -1.826 484 1HB TRP 58 1HB TRP 58 -9.343 -6.197 -3.649 485 2HB TRP 58 2HB TRP 58 -8.071 -5.006 -3.452 486 HD1 TRP 58 HD TRP 58 -9.361 -8.200 -2.008 487 HE1 TRP 58 1HE TRP 58 -7.765 -9.147 -0.233 488 HE3 TRP 58 3HE TRP 58 -6.181 -4.230 -1.568 489 HZ2 TRP 58 2HZ TRP 58 -5.214 -8.436 0.862 490 HZ3 TRP 58 3HZ TRP 58 -4.128 -4.416 -0.166 491 HH2 TRP 58 HH TRP 58 -3.652 -6.525 1.063 492 H LEU 59 H LEU 59 -8.313 -2.529 -2.671 493 HA LEU 59 HA LEU 59 -7.051 -2.454 -0.127 494 1HB LEU 59 1HB LEU 59 -7.233 -0.571 -2.432 495 2HB LEU 59 2HB LEU 59 -6.891 0.129 -0.907 496 HG LEU 59 HG LEU 59 -5.325 -2.136 -2.183 497 1HD1 LEU 59 1HD1 LEU 59 -4.433 0.710 -1.601 498 2HD1 LEU 59 2HD1 LEU 59 -3.590 -0.518 -2.577 499 3HD1 LEU 59 3HD1 LEU 59 -5.106 0.207 -3.149 500 1HD2 LEU 59 1HD2 LEU 59 -5.071 -2.357 0.287 501 2HD2 LEU 59 2HD2 LEU 59 -3.602 -1.705 -0.409 502 3HD2 LEU 59 3HD2 LEU 59 -4.747 -0.622 0.418 503 H LEU 60 H LEU 60 -9.964 -0.722 -1.239 504 HA LEU 60 HA LEU 60 -10.414 0.541 1.289 505 1HB LEU 60 1HB LEU 60 -12.040 -0.013 -1.194 506 2HB LEU 60 2HB LEU 60 -12.863 0.552 0.246 507 HG LEU 60 HG LEU 60 -10.394 1.972 -0.851 508 1HD1 LEU 60 1HD1 LEU 60 -12.048 1.922 -2.645 509 2HD1 LEU 60 2HD1 LEU 60 -13.291 2.553 -1.544 510 3HD1 LEU 60 3HD1 LEU 60 -11.880 3.554 -1.982 511 1HD2 LEU 60 1HD2 LEU 60 -12.683 3.006 0.885 512 2HD2 LEU 60 2HD2 LEU 60 -11.083 2.565 1.492 513 3HD2 LEU 60 3HD2 LEU 60 -11.243 3.919 0.369 514 H ASN 61 H ASN 61 -11.884 -2.399 -0.100 515 HA ASN 61 HA ASN 61 -13.376 -2.808 2.392 516 1HB ASN 61 1HB ASN 61 -13.493 -4.205 -0.314 517 2HB ASN 61 2HB ASN 61 -14.543 -4.557 1.055 518 1HD2 ASN 61 1HD2 ASN 61 -14.393 -2.619 -1.741 519 2HD2 ASN 61 2HD2 ASN 61 -15.611 -1.460 -1.209 520 H GLY 62 H GLY 62 -10.949 -4.677 0.523 521 1HA GLY 62 1HA GLY 62 -9.573 -6.351 1.207 522 2HA GLY 62 2HA GLY 62 -10.348 -6.377 2.800 523 H ALA 63 H ALA 63 -10.899 -7.251 -0.626 524 HA ALA 63 HA ALA 63 -12.809 -9.347 -0.003 525 1HB ALA 63 1HB ALA 63 -12.682 -9.974 -2.317 526 2HB ALA 63 2HB ALA 63 -12.773 -8.206 -2.210 527 3HB ALA 63 3HB ALA 63 -11.230 -9.002 -2.578 Start of MODEL 8 1 1H MET 0 H MET 0 -10.663 -6.461 9.549 2 HA MET 0 HA MET 0 -8.569 -5.720 10.032 3 1HB MET 0 1HB MET 0 -6.704 -6.319 8.628 4 2HB MET 0 2HB MET 0 -7.849 -7.658 8.630 5 1HG MET 0 1HG MET 0 -8.758 -6.729 6.437 6 2HG MET 0 2HG MET 0 -7.405 -5.589 6.479 7 1HE MET 0 1HE MET 0 -4.295 -7.936 6.066 8 2HE MET 0 2HE MET 0 -4.909 -6.387 6.673 9 3HE MET 0 3HE MET 0 -5.064 -7.854 7.669 10 H LEU 1 H LEU 1 -6.875 -3.984 9.259 11 HA LEU 1 HA LEU 1 -8.453 -1.764 8.013 12 1HB LEU 1 1HB LEU 1 -5.748 -1.483 9.319 13 2HB LEU 1 2HB LEU 1 -6.801 -0.238 8.760 14 HG LEU 1 HG LEU 1 -8.589 -1.087 10.395 15 1HD1 LEU 1 1HD1 LEU 1 -7.606 -1.928 12.561 16 2HD1 LEU 1 2HD1 LEU 1 -7.616 -3.122 11.282 17 3HD1 LEU 1 3HD1 LEU 1 -6.100 -2.286 11.696 18 1HD2 LEU 1 1HD2 LEU 1 -7.440 1.071 10.517 19 2HD2 LEU 1 2HD2 LEU 1 -7.683 0.393 12.128 20 3HD2 LEU 1 3HD2 LEU 1 -6.070 0.320 11.376 21 H MET 2 H MET 2 -6.951 -0.189 6.872 22 HA MET 2 HA MET 2 -6.019 -1.359 4.351 23 1HB MET 2 1HB MET 2 -6.541 1.376 5.375 24 2HB MET 2 2HB MET 2 -5.177 1.246 4.252 25 1HG MET 2 1HG MET 2 -6.654 0.044 2.674 26 2HG MET 2 2HG MET 2 -8.009 0.230 3.794 27 1HE MET 2 1HE MET 2 -5.947 1.506 0.976 28 2HE MET 2 2HE MET 2 -6.266 3.243 0.843 29 3HE MET 2 3HE MET 2 -5.208 2.639 2.140 30 H GLY 3 H GLY 3 -4.486 0.516 7.011 31 1HA GLY 3 1HA GLY 3 -1.829 0.242 6.315 32 2HA GLY 3 2HA GLY 3 -2.422 0.257 7.989 33 H GLU 4 H GLU 4 -3.832 -2.185 8.090 34 HA GLU 4 HA GLU 4 -1.733 -4.134 8.337 35 1HB GLU 4 1HB GLU 4 -4.769 -4.523 8.172 36 2HB GLU 4 2HB GLU 4 -3.594 -5.767 8.595 37 1HG GLU 4 1HG GLU 4 -2.941 -4.377 10.596 38 2HG GLU 4 2HG GLU 4 -4.312 -3.312 10.208 39 H ARG 5 H ARG 5 -4.352 -3.718 5.882 40 HA ARG 5 HA ARG 5 -3.839 -6.039 4.368 41 1HB ARG 5 1HB ARG 5 -5.158 -3.362 3.923 42 2HB ARG 5 2HB ARG 5 -4.587 -4.159 2.463 43 1HG ARG 5 1HG ARG 5 -5.790 -6.250 3.173 44 2HG ARG 5 2HG ARG 5 -6.473 -5.321 4.502 45 1HD ARG 5 1HD ARG 5 -6.806 -4.661 1.549 46 2HD ARG 5 2HD ARG 5 -7.968 -5.539 2.527 47 HE ARG 5 HE ARG 5 -7.804 -2.761 2.229 48 1HH1 ARG 5 2HH2 ARG 5 -8.315 -5.023 4.891 49 2HH1 ARG 5 1HH2 ARG 5 -9.650 -4.152 5.550 50 1HH2 ARG 5 2HH1 ARG 5 -9.344 -1.461 3.254 51 2HH2 ARG 5 1HH1 ARG 5 -9.936 -1.903 4.819 52 H ILE 6 H ILE 6 -2.443 -2.805 4.104 53 HA ILE 6 HA ILE 6 -0.821 -3.318 1.816 54 HB ILE 6 HB ILE 6 -0.730 -1.285 4.074 55 1HG1 ILE 6 1HG1 ILE 6 -1.512 -0.945 1.118 56 2HG1 ILE 6 2HG1 ILE 6 -2.682 -1.384 2.345 57 1HG2 ILE 6 1HG2 ILE 6 0.960 -1.272 1.524 58 2HG2 ILE 6 2HG2 ILE 6 0.805 0.097 2.657 59 3HG2 ILE 6 3HG2 ILE 6 1.553 -1.401 3.196 60 1HD1 ILE 6 1HD1 ILE 6 -2.924 0.928 2.047 61 2HD1 ILE 6 2HD1 ILE 6 -2.092 0.733 3.601 62 3HD1 ILE 6 3HD1 ILE 6 -1.178 1.212 2.141 63 H ARG 7 H ARG 7 -0.058 -3.472 5.383 64 HA ARG 7 HA ARG 7 2.618 -4.396 4.851 65 1HB ARG 7 1HB ARG 7 1.804 -3.597 7.093 66 2HB ARG 7 2HB ARG 7 0.968 -5.129 7.308 67 1HG ARG 7 1HG ARG 7 3.110 -6.356 7.040 68 2HG ARG 7 2HG ARG 7 3.958 -4.871 6.616 69 1HD ARG 7 1HD ARG 7 4.543 -5.585 8.834 70 2HD ARG 7 2HD ARG 7 3.712 -4.045 8.898 71 HE ARG 7 HE ARG 7 2.614 -6.730 9.598 72 1HH1 ARG 7 2HH2 ARG 7 2.412 -3.161 9.942 73 2HH1 ARG 7 1HH2 ARG 7 1.446 -3.252 11.383 74 1HH2 ARG 7 2HH1 ARG 7 1.131 -6.736 11.512 75 2HH2 ARG 7 1HH1 ARG 7 0.553 -5.217 12.067 76 H ALA 8 H ALA 8 -0.403 -6.157 5.411 77 HA ALA 8 HA ALA 8 0.559 -8.731 5.420 78 1HB ALA 8 1HB ALA 8 -2.102 -7.831 4.251 79 2HB ALA 8 2HB ALA 8 -1.680 -9.479 4.750 80 3HB ALA 8 3HB ALA 8 -1.771 -8.190 5.961 81 H ARG 9 H ARG 9 -0.652 -7.011 2.537 82 HA ARG 9 HA ARG 9 0.037 -9.142 0.785 83 1HB ARG 9 1HB ARG 9 -1.632 -7.098 0.648 84 2HB ARG 9 2HB ARG 9 -0.288 -6.289 -0.119 85 1HG ARG 9 1HG ARG 9 -1.703 -8.845 -1.035 86 2HG ARG 9 2HG ARG 9 -1.889 -7.238 -1.712 87 1HD ARG 9 1HD ARG 9 0.681 -7.377 -2.164 88 2HD ARG 9 2HD ARG 9 0.480 -9.108 -1.837 89 HE ARG 9 HE ARG 9 -1.264 -7.782 -3.810 90 1HH1 ARG 9 2HH2 ARG 9 1.845 -9.222 -3.577 91 2HH1 ARG 9 1HH2 ARG 9 1.728 -10.402 -4.832 92 1HH2 ARG 9 2HH1 ARG 9 -1.615 -9.316 -5.656 93 2HH2 ARG 9 1HH1 ARG 9 -0.340 -10.392 -6.118 94 H ARG 10 H ARG 10 1.868 -6.231 1.822 95 HA ARG 10 HA ARG 10 4.098 -6.533 0.048 96 1HB ARG 10 1HB ARG 10 3.540 -4.579 1.670 97 2HB ARG 10 2HB ARG 10 4.073 -5.581 2.974 98 1HG ARG 10 1HG ARG 10 6.257 -5.344 2.543 99 2HG ARG 10 2HG ARG 10 6.062 -5.307 0.792 100 1HD ARG 10 1HD ARG 10 6.831 -3.094 1.751 101 2HD ARG 10 2HD ARG 10 5.409 -3.064 0.748 102 HE ARG 10 HE ARG 10 4.229 -2.235 2.446 103 1HH1 ARG 10 2HH2 ARG 10 6.979 -3.973 3.996 104 2HH1 ARG 10 1HH2 ARG 10 6.355 -3.793 5.576 105 1HH2 ARG 10 2HH1 ARG 10 3.479 -1.914 4.541 106 2HH2 ARG 10 1HH1 ARG 10 4.451 -2.393 5.877 107 H ILE 11 H ILE 11 3.685 -7.690 3.392 108 HA ILE 11 HA ILE 11 6.015 -9.280 3.516 109 HB ILE 11 HB ILE 11 3.353 -9.450 4.954 110 1HG1 ILE 11 1HG1 ILE 11 4.634 -7.381 5.388 111 2HG1 ILE 11 2HG1 ILE 11 4.501 -8.381 6.824 112 1HG2 ILE 11 1HG2 ILE 11 5.871 -11.028 5.594 113 2HG2 ILE 11 2HG2 ILE 11 4.519 -10.797 6.725 114 3HG2 ILE 11 3HG2 ILE 11 4.261 -11.658 5.209 115 1HD1 ILE 11 1HD1 ILE 11 6.844 -9.121 6.523 116 2HD1 ILE 11 2HD1 ILE 11 6.968 -8.129 5.047 117 3HD1 ILE 11 3HD1 ILE 11 6.709 -7.359 6.615 118 H GLN 12 H GLN 12 2.790 -10.156 2.266 119 HA GLN 12 HA GLN 12 3.269 -12.849 1.815 120 1HB GLN 12 1HB GLN 12 1.160 -11.317 1.359 121 2HB GLN 12 2HB GLN 12 1.876 -11.098 -0.238 122 1HG GLN 12 1HG GLN 12 1.808 -13.633 -0.500 123 2HG GLN 12 2HG GLN 12 0.971 -13.706 1.053 124 1HE2 GLN 12 1HE2 GLN 12 0.462 -11.239 -1.544 125 2HE2 GLN 12 2HE2 GLN 12 -1.197 -11.656 -1.855 126 H LEU 13 H LEU 13 4.562 -10.192 0.017 127 HA LEU 13 HA LEU 13 5.805 -12.007 -2.001 128 1HB LEU 13 1HB LEU 13 4.529 -10.126 -2.807 129 2HB LEU 13 2HB LEU 13 5.460 -9.006 -1.822 130 HG LEU 13 HG LEU 13 7.420 -9.282 -3.241 131 1HD1 LEU 13 1HD1 LEU 13 7.461 -10.718 -5.216 132 2HD1 LEU 13 2HD1 LEU 13 7.246 -11.711 -3.782 133 3HD1 LEU 13 3HD1 LEU 13 5.858 -11.358 -4.831 134 1HD2 LEU 13 1HD2 LEU 13 5.724 -7.716 -4.091 135 2HD2 LEU 13 2HD2 LEU 13 6.454 -8.584 -5.444 136 3HD2 LEU 13 3HD2 LEU 13 4.847 -9.050 -4.886 137 H GLY 14 H GLY 14 6.416 -10.775 1.050 138 1HA GLY 14 1HA GLY 14 8.228 -10.663 2.380 139 2HA GLY 14 2HA GLY 14 8.994 -11.797 1.282 140 H LEU 15 H LEU 15 7.926 -8.445 0.530 141 HA LEU 15 HA LEU 15 10.704 -7.593 0.184 142 1HB LEU 15 1HB LEU 15 10.262 -6.742 -1.758 143 2HB LEU 15 2HB LEU 15 9.082 -8.000 -1.860 144 HG LEU 15 HG LEU 15 8.432 -5.194 -0.874 145 1HD1 LEU 15 1HD1 LEU 15 9.344 -5.148 -3.300 146 2HD1 LEU 15 2HD1 LEU 15 8.123 -6.321 -3.704 147 3HD1 LEU 15 3HD1 LEU 15 7.641 -4.680 -3.198 148 1HD2 LEU 15 1HD2 LEU 15 6.699 -7.293 -2.127 149 2HD2 LEU 15 2HD2 LEU 15 6.810 -6.974 -0.399 150 3HD2 LEU 15 3HD2 LEU 15 6.155 -5.729 -1.496 151 H ASN 16 H ASN 16 10.916 -5.262 0.413 152 HA ASN 16 HA ASN 16 9.755 -4.584 3.075 153 1HB ASN 16 1HB ASN 16 12.108 -3.239 1.673 154 2HB ASN 16 2HB ASN 16 11.532 -2.908 3.290 155 1HD2 ASN 16 1HD2 ASN 16 14.088 -4.386 1.931 156 2HD2 ASN 16 2HD2 ASN 16 14.229 -5.721 3.049 157 H GLN 17 H GLN 17 9.335 -2.219 3.606 158 HA GLN 17 HA GLN 17 7.509 -0.906 1.932 159 1HB GLN 17 1HB GLN 17 9.509 0.157 3.966 160 2HB GLN 17 2HB GLN 17 8.251 1.165 3.262 161 1HG GLN 17 1HG GLN 17 6.525 -0.353 4.200 162 2HG GLN 17 2HG GLN 17 7.785 -1.350 4.922 163 1HE2 GLN 17 1HE2 GLN 17 6.015 -0.494 6.730 164 2HE2 GLN 17 2HE2 GLN 17 6.625 0.926 7.580 165 H ALA 18 H ALA 18 11.094 -0.381 2.110 166 HA ALA 18 HA ALA 18 11.230 1.662 0.217 167 1HB ALA 18 1HB ALA 18 13.597 0.963 -0.064 168 2HB ALA 18 2HB ALA 18 13.130 1.008 1.638 169 3HB ALA 18 3HB ALA 18 13.256 -0.551 0.795 170 H GLU 19 H GLU 19 11.118 -1.852 -0.284 171 HA GLU 19 HA GLU 19 11.819 -1.709 -3.091 172 1HB GLU 19 1HB GLU 19 10.361 -3.975 -1.666 173 2HB GLU 19 2HB GLU 19 11.260 -4.022 -3.193 174 1HG GLU 19 1HG GLU 19 13.248 -3.230 -1.586 175 2HG GLU 19 2HG GLU 19 12.224 -3.912 -0.346 176 H LEU 20 H LEU 20 8.772 -2.266 -1.311 177 HA LEU 20 HA LEU 20 7.046 -2.329 -3.574 178 1HB LEU 20 1HB LEU 20 6.312 -2.992 -1.305 179 2HB LEU 20 2HB LEU 20 6.520 -1.332 -0.737 180 HG LEU 20 HG LEU 20 4.745 -0.591 -2.361 181 1HD1 LEU 20 1HD1 LEU 20 4.856 -2.456 -3.972 182 2HD1 LEU 20 2HD1 LEU 20 4.296 -3.595 -2.723 183 3HD1 LEU 20 3HD1 LEU 20 3.223 -2.304 -3.317 184 1HD2 LEU 20 1HD2 LEU 20 2.857 -1.267 -1.091 185 2HD2 LEU 20 2HD2 LEU 20 3.673 -2.717 -0.486 186 3HD2 LEU 20 3HD2 LEU 20 4.216 -1.091 0.022 187 H ALA 21 H ALA 21 8.189 0.380 -1.537 188 HA ALA 21 HA ALA 21 6.758 2.425 -2.754 189 1HB ALA 21 1HB ALA 21 7.928 2.724 -0.647 190 2HB ALA 21 2HB ALA 21 9.501 2.505 -1.432 191 3HB ALA 21 3HB ALA 21 8.505 3.912 -1.824 192 H GLN 22 H GLN 22 10.081 1.232 -3.578 193 HA GLN 22 HA GLN 22 10.600 3.152 -5.566 194 1HB GLN 22 1HB GLN 22 12.275 1.651 -4.507 195 2HB GLN 22 2HB GLN 22 11.603 0.270 -5.389 196 1HG GLN 22 1HG GLN 22 12.224 1.338 -7.539 197 2HG GLN 22 2HG GLN 22 12.831 2.754 -6.671 198 1HE2 GLN 22 1HE2 GLN 22 13.889 -0.019 -8.207 199 2HE2 GLN 22 2HE2 GLN 22 15.371 -0.287 -7.307 200 H LYS 23 H LYS 23 8.889 -0.056 -5.833 201 HA LYS 23 HA LYS 23 8.823 0.114 -8.689 202 1HB LYS 23 1HB LYS 23 8.290 -2.016 -8.477 203 2HB LYS 23 2HB LYS 23 8.606 -1.853 -6.783 204 1HG LYS 23 1HG LYS 23 6.206 -1.403 -6.365 205 2HG LYS 23 2HG LYS 23 5.868 -1.621 -8.107 206 1HD LYS 23 1HD LYS 23 6.795 -3.915 -7.946 207 2HD LYS 23 2HD LYS 23 7.084 -3.648 -6.201 208 1HE LYS 23 1HE LYS 23 4.707 -3.282 -5.806 209 2HE LYS 23 2HE LYS 23 4.365 -3.366 -7.527 210 1HZ LYS 23 1HZ LYS 23 5.629 -5.650 -6.109 211 2HZ LYS 23 2HZ LYS 23 3.962 -5.512 -6.343 212 3HZ LYS 23 3HZ LYS 23 4.995 -5.636 -7.589 213 H VAL 24 H VAL 24 6.472 0.975 -6.046 214 HA VAL 24 HA VAL 24 4.401 1.661 -7.933 215 HB VAL 24 HB VAL 24 4.742 2.559 -5.076 216 1HG1 VAL 24 1HG1 VAL 24 2.247 2.466 -5.051 217 2HG1 VAL 24 2HG1 VAL 24 2.812 3.549 -6.331 218 3HG1 VAL 24 3HG1 VAL 24 2.272 1.911 -6.748 219 1HG2 VAL 24 1HG2 VAL 24 2.939 0.252 -5.237 220 2HG2 VAL 24 2HG2 VAL 24 4.581 -0.182 -5.665 221 3HG2 VAL 24 3HG2 VAL 24 4.241 0.634 -4.131 222 H GLY 25 H GLY 25 7.314 3.247 -6.792 223 1HA GLY 25 1HA GLY 25 8.301 5.092 -7.778 224 2HA GLY 25 2HA GLY 25 6.760 5.535 -8.523 225 H VAL 26 H VAL 26 6.817 4.811 -5.099 226 HA VAL 26 HA VAL 26 6.389 7.645 -4.419 227 HB VAL 26 HB VAL 26 5.109 6.765 -2.586 228 1HG1 VAL 26 1HG1 VAL 26 4.198 5.429 -5.175 229 2HG1 VAL 26 2HG1 VAL 26 3.208 5.825 -3.772 230 3HG1 VAL 26 3HG1 VAL 26 3.915 7.133 -4.714 231 1HG2 VAL 26 1HG2 VAL 26 4.482 4.428 -2.327 232 2HG2 VAL 26 2HG2 VAL 26 5.586 3.981 -3.644 233 3HG2 VAL 26 3HG2 VAL 26 6.220 4.644 -2.123 234 H ASP 27 H ASP 27 7.030 7.808 -1.789 235 HA ASP 27 HA ASP 27 9.867 7.082 -1.598 236 1HB ASP 27 1HB ASP 27 9.096 8.200 0.786 237 2HB ASP 27 2HB ASP 27 9.781 9.108 -0.544 238 H GLN 28 H GLN 28 10.518 5.717 0.250 239 HA GLN 28 HA GLN 28 8.894 3.577 1.116 240 1HB GLN 28 1HB GLN 28 11.324 3.708 1.407 241 2HB GLN 28 2HB GLN 28 11.126 5.033 2.571 242 1HG GLN 28 1HG GLN 28 9.693 3.306 3.933 243 2HG GLN 28 2HG GLN 28 10.384 2.113 2.833 244 1HE2 GLN 28 1HE2 GLN 28 11.008 4.402 5.408 245 2HE2 GLN 28 2HE2 GLN 28 12.588 3.753 5.854 246 H GLN 29 H GLN 29 9.296 6.861 2.439 247 HA GLN 29 HA GLN 29 7.924 6.647 4.796 248 1HB GLN 29 1HB GLN 29 9.235 8.627 3.928 249 2HB GLN 29 2HB GLN 29 7.841 9.066 2.938 250 1HG GLN 29 1HG GLN 29 6.471 9.184 5.091 251 2HG GLN 29 2HG GLN 29 7.974 8.911 5.984 252 1HE2 GLN 29 1HE2 GLN 29 6.337 11.133 3.695 253 2HE2 GLN 29 2HE2 GLN 29 7.287 12.547 4.132 254 H ALA 30 H ALA 30 6.545 7.241 1.505 255 HA ALA 30 HA ALA 30 3.895 7.635 2.243 256 1HB ALA 30 1HB ALA 30 3.283 6.871 0.004 257 2HB ALA 30 2HB ALA 30 4.705 7.921 -0.071 258 3HB ALA 30 3HB ALA 30 4.887 6.155 -0.222 259 H ILE 31 H ILE 31 5.668 4.525 1.912 260 HA ILE 31 HA ILE 31 3.234 2.952 2.240 261 HB ILE 31 HB ILE 31 6.165 2.120 2.442 262 1HG1 ILE 31 1HG1 ILE 31 5.927 2.973 0.264 263 2HG1 ILE 31 2HG1 ILE 31 5.900 1.230 0.158 264 1HG2 ILE 31 1HG2 ILE 31 3.627 0.473 1.975 265 2HG2 ILE 31 2HG2 ILE 31 5.304 -0.143 1.972 266 3HG2 ILE 31 3HG2 ILE 31 4.583 0.495 3.462 267 1HD1 ILE 31 1HD1 ILE 31 3.378 1.351 -0.137 268 2HD1 ILE 31 2HD1 ILE 31 3.522 3.125 -0.138 269 3HD1 ILE 31 3HD1 ILE 31 4.301 2.171 -1.405 270 H GLU 32 H GLU 32 5.885 4.136 4.362 271 HA GLU 32 HA GLU 32 5.093 2.649 6.704 272 1HB GLU 32 1HB GLU 32 7.319 3.648 6.510 273 2HB GLU 32 2HB GLU 32 6.637 5.251 6.351 274 1HG GLU 32 1HG GLU 32 7.585 4.884 8.572 275 2HG GLU 32 2HG GLU 32 5.875 5.272 8.643 276 H GLN 33 H GLN 33 4.295 5.974 5.541 277 HA GLN 33 HA GLN 33 2.629 6.520 7.794 278 1HB GLN 33 1HB GLN 33 2.036 8.485 6.789 279 2HB GLN 33 2HB GLN 33 3.668 8.202 6.230 280 1HG GLN 33 1HG GLN 33 2.878 7.524 4.089 281 2HG GLN 33 2HG GLN 33 1.193 7.497 4.619 282 1HE2 GLN 33 1HE2 GLN 33 3.734 9.722 3.364 283 2HE2 GLN 33 2HE2 GLN 33 2.758 11.131 3.547 284 H LEU 34 H LEU 34 1.941 4.940 4.623 285 HA LEU 34 HA LEU 34 -0.889 4.938 4.969 286 1HB LEU 34 1HB LEU 34 1.211 3.648 3.255 287 2HB LEU 34 2HB LEU 34 -0.208 2.689 3.467 288 HG LEU 34 HG LEU 34 -0.456 5.613 2.797 289 1HD1 LEU 34 1HD1 LEU 34 1.036 4.507 1.122 290 2HD1 LEU 34 2HD1 LEU 34 -0.205 3.286 0.807 291 3HD1 LEU 34 3HD1 LEU 34 -0.513 4.991 0.395 292 1HD2 LEU 34 1HD2 LEU 34 -2.547 5.093 1.765 293 2HD2 LEU 34 2HD2 LEU 34 -2.310 3.353 1.978 294 3HD2 LEU 34 3HD2 LEU 34 -2.557 4.400 3.396 295 H GLU 35 H GLU 35 1.731 2.830 6.016 296 HA GLU 35 HA GLU 35 0.140 0.686 7.111 297 1HB GLU 35 1HB GLU 35 2.977 1.627 7.464 298 2HB GLU 35 2HB GLU 35 2.257 0.706 8.768 299 1HG GLU 35 1HG GLU 35 1.547 -0.920 6.724 300 2HG GLU 35 2HG GLU 35 2.946 -0.167 5.975 301 H ASN 36 H ASN 36 1.435 3.746 8.702 302 HA ASN 36 HA ASN 36 0.317 3.258 11.207 303 1HB ASN 36 1HB ASN 36 1.233 5.670 9.581 304 2HB ASN 36 2HB ASN 36 0.577 5.836 11.160 305 1HD2 ASN 36 1HD2 ASN 36 3.335 5.163 9.424 306 2HD2 ASN 36 2HD2 ASN 36 4.384 4.535 10.666 307 H GLY 37 H GLY 37 -1.416 3.846 8.276 308 1HA GLY 37 1HA GLY 37 -3.623 4.562 7.940 309 2HA GLY 37 2HA GLY 37 -3.817 4.751 9.685 310 H LYS 38 H LYS 38 -0.987 6.307 8.425 311 HA LYS 38 HA LYS 38 -1.998 8.914 9.231 312 1HB LYS 38 1HB LYS 38 0.610 7.671 8.361 313 2HB LYS 38 2HB LYS 38 0.318 9.298 7.840 314 1HG LYS 38 1HG LYS 38 -0.190 9.580 10.496 315 2HG LYS 38 2HG LYS 38 0.900 8.192 10.512 316 1HD LYS 38 1HD LYS 38 2.611 9.585 10.382 317 2HD LYS 38 2HD LYS 38 2.187 9.965 8.733 318 1HE LYS 38 1HE LYS 38 1.325 11.461 11.245 319 2HE LYS 38 2HE LYS 38 2.515 11.974 10.049 320 1HZ LYS 38 1HZ LYS 38 0.559 13.141 9.653 321 2HZ LYS 38 2HZ LYS 38 0.640 12.066 8.412 322 3HZ LYS 38 3HZ LYS 38 -0.411 11.840 9.657 323 H ALA 39 H ALA 39 -1.556 7.056 6.060 324 HA ALA 39 HA ALA 39 -3.221 9.224 4.912 325 1HB ALA 39 1HB ALA 39 -1.180 7.382 3.627 326 2HB ALA 39 2HB ALA 39 -2.422 8.246 2.701 327 3HB ALA 39 3HB ALA 39 -1.193 9.150 3.613 328 H LYS 40 H LYS 40 -4.971 8.442 3.771 329 HA LYS 40 HA LYS 40 -5.739 5.574 4.163 330 1HB LYS 40 1HB LYS 40 -7.020 7.217 5.594 331 2HB LYS 40 2HB LYS 40 -7.672 7.937 4.134 332 1HG LYS 40 1HG LYS 40 -8.044 5.043 5.049 333 2HG LYS 40 2HG LYS 40 -9.192 6.361 5.258 334 1HD LYS 40 1HD LYS 40 -9.290 6.579 2.726 335 2HD LYS 40 2HD LYS 40 -8.334 5.097 2.635 336 1HE LYS 40 1HE LYS 40 -10.585 4.462 2.329 337 2HE LYS 40 2HE LYS 40 -10.122 3.908 3.947 338 1HZ LYS 40 1HZ LYS 40 -12.337 5.053 3.687 339 2HZ LYS 40 2HZ LYS 40 -11.398 5.658 4.894 340 3HZ LYS 40 3HZ LYS 40 -11.566 6.452 3.447 341 H ARG 41 H ARG 41 -6.665 8.500 2.201 342 HA ARG 41 HA ARG 41 -6.574 6.800 -0.228 343 1HB ARG 41 1HB ARG 41 -7.427 9.500 -0.754 344 2HB ARG 41 2HB ARG 41 -8.263 7.999 -1.066 345 1HG ARG 41 1HG ARG 41 -9.414 8.091 1.022 346 2HG ARG 41 2HG ARG 41 -8.375 9.383 1.657 347 1HD ARG 41 1HD ARG 41 -10.151 9.749 -0.770 348 2HD ARG 41 2HD ARG 41 -10.639 10.123 0.897 349 HE ARG 41 HE ARG 41 -8.128 11.375 0.274 350 1HH1 ARG 41 2HH2 ARG 41 -11.575 11.742 -0.465 351 2HH1 ARG 41 1HH2 ARG 41 -11.505 13.456 -0.655 352 1HH2 ARG 41 2HH1 ARG 41 -7.988 13.584 0.051 353 2HH2 ARG 41 1HH1 ARG 41 -9.403 14.571 -0.096 354 HA PRO 42 HA PRO 42 -2.771 9.304 -0.766 355 1HB PRO 42 1HB PRO 42 -1.364 7.521 -2.240 356 2HB PRO 42 2HB PRO 42 -1.459 7.389 -0.452 357 1HG PRO 42 1HG PRO 42 -3.015 5.880 -2.559 358 2HG PRO 42 2HG PRO 42 -2.250 5.223 -1.089 359 1HD PRO 42 1HD PRO 42 -4.933 5.875 -1.249 360 2HD PRO 42 2HD PRO 42 -3.999 5.976 0.264 361 H ARG 43 H ARG 43 -2.079 10.332 -2.745 362 HA ARG 43 HA ARG 43 -3.898 10.562 -4.916 363 1HB ARG 43 1HB ARG 43 -2.209 11.873 -6.016 364 2HB ARG 43 2HB ARG 43 -2.159 12.231 -4.301 365 1HG ARG 43 1HG ARG 43 0.095 12.038 -4.653 366 2HG ARG 43 2HG ARG 43 -0.242 10.372 -4.275 367 1HD ARG 43 1HD ARG 43 1.190 10.349 -6.171 368 2HD ARG 43 2HD ARG 43 -0.403 9.967 -6.836 369 HE ARG 43 HE ARG 43 -0.004 12.781 -6.886 370 1HH1 ARG 43 2HH2 ARG 43 1.053 9.840 -8.674 371 2HH1 ARG 43 1HH2 ARG 43 1.455 10.723 -10.089 372 1HH2 ARG 43 2HH1 ARG 43 0.806 13.917 -8.659 373 2HH2 ARG 43 1HH1 ARG 43 1.409 13.094 -10.065 374 H PHE 44 H PHE 44 -1.539 8.134 -4.297 375 HA PHE 44 HA PHE 44 -1.471 7.259 -7.124 376 1HB PHE 44 1HB PHE 44 0.607 6.173 -6.506 377 2HB PHE 44 2HB PHE 44 0.648 7.867 -6.089 378 HD1 PHE 44 1HD PHE 44 0.505 4.463 -4.790 379 HD2 PHE 44 2HD PHE 44 0.993 8.598 -3.764 380 HE1 PHE 44 1HE PHE 44 0.939 3.829 -2.396 381 HE2 PHE 44 2HE PHE 44 1.476 7.973 -1.422 382 HZ PHE 44 HZ PHE 44 1.328 5.553 -0.723 383 H LEU 45 H LEU 45 -3.794 6.651 -5.033 384 HA LEU 45 HA LEU 45 -3.527 4.098 -4.043 385 1HB LEU 45 1HB LEU 45 -5.224 5.806 -3.432 386 2HB LEU 45 2HB LEU 45 -5.975 5.636 -5.007 387 HG LEU 45 HG LEU 45 -6.584 3.358 -4.528 388 1HD1 LEU 45 1HD1 LEU 45 -6.415 2.384 -2.267 389 2HD1 LEU 45 2HD1 LEU 45 -4.812 2.669 -2.947 390 3HD1 LEU 45 3HD1 LEU 45 -5.465 3.775 -1.717 391 1HD2 LEU 45 1HD2 LEU 45 -8.155 5.151 -3.966 392 2HD2 LEU 45 2HD2 LEU 45 -8.300 3.874 -2.753 393 3HD2 LEU 45 3HD2 LEU 45 -7.409 5.356 -2.368 394 HA PRO 46 HA PRO 46 -5.264 1.906 -7.778 395 1HB PRO 46 1HB PRO 46 -5.292 2.971 -10.273 396 2HB PRO 46 2HB PRO 46 -6.639 3.178 -9.124 397 1HG PRO 46 1HG PRO 46 -4.368 5.105 -9.681 398 2HG PRO 46 2HG PRO 46 -6.128 5.449 -9.616 399 1HD PRO 46 1HD PRO 46 -4.506 5.911 -7.490 400 2HD PRO 46 2HD PRO 46 -6.162 5.274 -7.257 401 H GLU 47 H GLU 47 -2.431 4.027 -8.093 402 HA GLU 47 HA GLU 47 -0.942 2.268 -9.839 403 1HB GLU 47 1HB GLU 47 -0.084 4.457 -7.880 404 2HB GLU 47 2HB GLU 47 0.965 3.633 -8.965 405 1HG GLU 47 1HG GLU 47 -1.406 5.366 -9.805 406 2HG GLU 47 2HG GLU 47 0.261 5.915 -9.706 407 H LEU 48 H LEU 48 -1.241 2.896 -6.314 408 HA LEU 48 HA LEU 48 0.620 0.988 -5.396 409 1HB LEU 48 1HB LEU 48 -0.561 2.830 -4.159 410 2HB LEU 48 2HB LEU 48 -1.928 1.779 -4.018 411 HG LEU 48 HG LEU 48 0.840 1.690 -2.770 412 1HD1 LEU 48 1HD1 LEU 48 -1.913 1.113 -1.622 413 2HD1 LEU 48 2HD1 LEU 48 -0.412 1.353 -0.706 414 3HD1 LEU 48 3HD1 LEU 48 -1.128 2.707 -1.618 415 1HD2 LEU 48 1HD2 LEU 48 0.508 -0.520 -1.769 416 2HD2 LEU 48 2HD2 LEU 48 -0.858 -0.803 -2.875 417 3HD2 LEU 48 3HD2 LEU 48 0.802 -0.580 -3.505 418 H ALA 49 H ALA 49 -2.951 0.830 -5.925 419 HA ALA 49 HA ALA 49 -3.074 -1.919 -5.147 420 1HB ALA 49 1HB ALA 49 -4.914 -0.494 -7.161 421 2HB ALA 49 2HB ALA 49 -5.297 -1.955 -6.237 422 3HB ALA 49 3HB ALA 49 -5.110 -0.408 -5.399 423 H ARG 50 H ARG 50 -2.751 -0.606 -8.500 424 HA ARG 50 HA ARG 50 -2.712 -3.196 -9.674 425 1HB ARG 50 1HB ARG 50 -3.037 -0.901 -10.796 426 2HB ARG 50 2HB ARG 50 -1.274 -0.737 -10.751 427 1HG ARG 50 1HG ARG 50 -1.183 -2.978 -12.031 428 2HG ARG 50 2HG ARG 50 -2.943 -2.882 -12.142 429 1HD ARG 50 1HD ARG 50 -2.100 -1.975 -14.204 430 2HD ARG 50 2HD ARG 50 -2.668 -0.614 -13.256 431 HE ARG 50 HE ARG 50 -0.576 0.194 -13.056 432 1HH1 ARG 50 2HH2 ARG 50 -0.278 -3.093 -14.438 433 2HH1 ARG 50 1HH2 ARG 50 1.445 -2.972 -14.649 434 1HH2 ARG 50 2HH1 ARG 50 1.740 0.203 -13.167 435 2HH2 ARG 50 1HH1 ARG 50 2.604 -1.112 -13.887 436 H ALA 51 H ALA 51 -0.033 -1.110 -8.462 437 HA ALA 51 HA ALA 51 2.109 -2.802 -9.174 438 1HB ALA 51 1HB ALA 51 3.387 -1.579 -7.437 439 2HB ALA 51 2HB ALA 51 2.443 -0.457 -8.410 440 3HB ALA 51 3HB ALA 51 1.879 -0.910 -6.791 441 H LEU 52 H LEU 52 0.085 -2.644 -6.126 442 HA LEU 52 HA LEU 52 1.476 -4.646 -4.721 443 1HB LEU 52 1HB LEU 52 -0.302 -2.995 -3.960 444 2HB LEU 52 2HB LEU 52 -1.503 -4.116 -4.532 445 HG LEU 52 HG LEU 52 -0.678 -5.735 -2.887 446 1HD1 LEU 52 1HD1 LEU 52 1.724 -5.329 -2.720 447 2HD1 LEU 52 2HD1 LEU 52 1.453 -3.623 -2.288 448 3HD1 LEU 52 3HD1 LEU 52 1.063 -4.907 -1.144 449 1HD2 LEU 52 1HD2 LEU 52 -1.329 -4.481 -0.869 450 2HD2 LEU 52 2HD2 LEU 52 -0.964 -2.952 -1.692 451 3HD2 LEU 52 3HD2 LEU 52 -2.305 -3.968 -2.254 452 H GLY 53 H GLY 53 -1.341 -4.767 -6.892 453 1HA GLY 53 1HA GLY 53 -1.778 -6.480 -8.458 454 2HA GLY 53 2HA GLY 53 -0.920 -7.664 -7.459 455 H VAL 54 H VAL 54 -3.492 -5.179 -6.903 456 HA VAL 54 HA VAL 54 -5.480 -7.140 -6.265 457 HB VAL 54 HB VAL 54 -6.091 -6.219 -4.081 458 1HG1 VAL 54 1HG1 VAL 54 -3.145 -6.938 -3.946 459 2HG1 VAL 54 2HG1 VAL 54 -4.347 -7.038 -2.647 460 3HG1 VAL 54 3HG1 VAL 54 -4.499 -8.098 -4.039 461 1HG2 VAL 54 1HG2 VAL 54 -5.481 -3.983 -4.073 462 2HG2 VAL 54 2HG2 VAL 54 -4.382 -4.706 -2.904 463 3HG2 VAL 54 3HG2 VAL 54 -3.795 -4.313 -4.525 464 H ALA 55 H ALA 55 -7.614 -5.720 -5.828 465 HA ALA 55 HA ALA 55 -7.692 -3.471 -7.751 466 1HB ALA 55 1HB ALA 55 -9.555 -5.123 -7.646 467 2HB ALA 55 2HB ALA 55 -9.860 -4.659 -5.959 468 3HB ALA 55 3HB ALA 55 -10.102 -3.481 -7.268 469 H VAL 56 H VAL 56 -8.351 -1.283 -7.107 470 HA VAL 56 HA VAL 56 -7.640 -0.226 -4.528 471 HB VAL 56 HB VAL 56 -9.537 0.638 -6.761 472 1HG1 VAL 56 1HG1 VAL 56 -10.329 1.768 -4.779 473 2HG1 VAL 56 2HG1 VAL 56 -8.675 2.177 -4.289 474 3HG1 VAL 56 3HG1 VAL 56 -9.407 2.934 -5.733 475 1HG2 VAL 56 1HG2 VAL 56 -7.173 0.657 -7.432 476 2HG2 VAL 56 2HG2 VAL 56 -7.688 2.322 -7.182 477 3HG2 VAL 56 3HG2 VAL 56 -6.715 1.510 -5.946 478 H ASP 57 H ASP 57 -10.640 -1.724 -5.790 479 HA ASP 57 HA ASP 57 -12.255 -1.197 -3.504 480 1HB ASP 57 1HB ASP 57 -12.943 -2.198 -5.760 481 2HB ASP 57 2HB ASP 57 -12.301 -3.732 -5.155 482 H TRP 58 H TRP 58 -9.873 -3.817 -4.081 483 HA TRP 58 HA TRP 58 -10.417 -5.161 -1.571 484 1HB TRP 58 1HB TRP 58 -9.138 -6.232 -3.439 485 2HB TRP 58 2HB TRP 58 -7.843 -5.075 -3.147 486 HD1 TRP 58 HD TRP 58 -9.536 -8.038 -1.631 487 HE1 TRP 58 1HE TRP 58 -8.104 -9.123 0.228 488 HE3 TRP 58 3HE TRP 58 -5.901 -4.554 -1.417 489 HZ2 TRP 58 2HZ TRP 58 -5.533 -8.598 1.441 490 HZ3 TRP 58 3HZ TRP 58 -3.874 -4.886 0.034 491 HH2 TRP 58 HH TRP 58 -3.707 -6.929 1.465 492 H LEU 59 H LEU 59 -8.149 -2.607 -2.641 493 HA LEU 59 HA LEU 59 -6.829 -2.352 -0.124 494 1HB LEU 59 1HB LEU 59 -7.065 -0.677 -2.573 495 2HB LEU 59 2HB LEU 59 -6.656 0.153 -1.119 496 HG LEU 59 HG LEU 59 -5.130 -2.138 -2.407 497 1HD1 LEU 59 1HD1 LEU 59 -4.919 0.226 -3.297 498 2HD1 LEU 59 2HD1 LEU 59 -4.268 0.698 -1.721 499 3HD1 LEU 59 3HD1 LEU 59 -3.398 -0.485 -2.732 500 1HD2 LEU 59 1HD2 LEU 59 -4.562 -0.801 0.285 501 2HD2 LEU 59 2HD2 LEU 59 -4.773 -2.539 -0.029 502 3HD2 LEU 59 3HD2 LEU 59 -3.350 -1.716 -0.642 503 H LEU 60 H LEU 60 -9.718 -0.613 -1.355 504 HA LEU 60 HA LEU 60 -10.094 0.907 1.052 505 1HB LEU 60 1HB LEU 60 -11.905 0.082 -1.252 506 2HB LEU 60 2HB LEU 60 -12.493 1.048 0.087 507 HG LEU 60 HG LEU 60 -10.149 1.861 -1.701 508 1HD1 LEU 60 1HD1 LEU 60 -13.059 2.756 -1.793 509 2HD1 LEU 60 2HD1 LEU 60 -11.732 3.408 -2.783 510 3HD1 LEU 60 3HD1 LEU 60 -12.247 1.725 -2.986 511 1HD2 LEU 60 1HD2 LEU 60 -10.566 4.139 -0.771 512 2HD2 LEU 60 2HD2 LEU 60 -11.754 3.445 0.352 513 3HD2 LEU 60 3HD2 LEU 60 -10.034 2.997 0.463 514 H ASN 61 H ASN 61 -11.810 -1.985 -0.183 515 HA ASN 61 HA ASN 61 -13.268 -2.113 2.329 516 1HB ASN 61 1HB ASN 61 -13.673 -3.625 -0.281 517 2HB ASN 61 2HB ASN 61 -14.722 -3.651 1.134 518 1HD2 ASN 61 1HD2 ASN 61 -14.118 -1.891 -1.851 519 2HD2 ASN 61 2HD2 ASN 61 -14.998 -0.464 -1.337 520 H GLY 62 H GLY 62 -11.027 -4.269 0.519 521 1HA GLY 62 1HA GLY 62 -9.655 -5.842 1.393 522 2HA GLY 62 2HA GLY 62 -10.369 -5.576 2.992 523 H ALA 63 H ALA 63 -12.042 -6.652 0.022 524 HA ALA 63 HA ALA 63 -13.451 -8.325 -0.364 525 1HB ALA 63 1HB ALA 63 -11.766 -10.136 1.389 526 2HB ALA 63 2HB ALA 63 -12.821 -10.582 0.040 527 3HB ALA 63 3HB ALA 63 -11.310 -9.695 -0.267 Start of MODEL 9 1 1H MET 0 H MET 0 -9.808 -6.328 9.167 2 HA MET 0 HA MET 0 -7.754 -4.879 10.727 3 1HB MET 0 1HB MET 0 -6.140 -5.506 9.151 4 2HB MET 0 2HB MET 0 -7.061 -6.965 9.443 5 1HG MET 0 1HG MET 0 -7.058 -5.190 6.998 6 2HG MET 0 2HG MET 0 -6.600 -6.879 7.135 7 1HE MET 0 1HE MET 0 -9.493 -7.683 4.818 8 2HE MET 0 2HE MET 0 -8.187 -6.499 4.641 9 3HE MET 0 3HE MET 0 -7.855 -8.087 5.365 10 H LEU 1 H LEU 1 -6.668 -3.145 9.244 11 HA LEU 1 HA LEU 1 -8.709 -1.650 7.658 12 1HB LEU 1 1HB LEU 1 -6.705 -0.440 9.580 13 2HB LEU 1 2HB LEU 1 -7.774 0.467 8.534 14 HG LEU 1 HG LEU 1 -8.771 -1.353 10.750 15 1HD1 LEU 1 1HD1 LEU 1 -9.227 0.712 11.964 16 2HD1 LEU 1 2HD1 LEU 1 -7.506 0.614 11.590 17 3HD1 LEU 1 3HD1 LEU 1 -8.561 1.680 10.633 18 1HD2 LEU 1 1HD2 LEU 1 -10.194 0.674 8.962 19 2HD2 LEU 1 2HD2 LEU 1 -10.440 -1.088 8.963 20 3HD2 LEU 1 3HD2 LEU 1 -10.911 -0.142 10.367 21 H MET 2 H MET 2 -7.208 0.305 6.712 22 HA MET 2 HA MET 2 -6.075 -0.864 4.423 23 1HB MET 2 1HB MET 2 -6.123 1.874 5.659 24 2HB MET 2 2HB MET 2 -4.876 1.591 4.455 25 1HG MET 2 1HG MET 2 -6.651 2.519 3.273 26 2HG MET 2 2HG MET 2 -6.701 0.811 2.864 27 1HE MET 2 1HE MET 2 -10.374 2.602 3.109 28 2HE MET 2 2HE MET 2 -9.026 3.710 3.472 29 3HE MET 2 3HE MET 2 -8.898 2.568 2.122 30 H GLY 3 H GLY 3 -4.382 0.706 7.218 31 1HA GLY 3 1HA GLY 3 -1.875 0.411 6.030 32 2HA GLY 3 2HA GLY 3 -2.174 0.672 7.767 33 H GLU 4 H GLU 4 -3.489 -1.706 8.416 34 HA GLU 4 HA GLU 4 -1.363 -3.629 8.587 35 1HB GLU 4 1HB GLU 4 -4.373 -3.872 9.027 36 2HB GLU 4 2HB GLU 4 -3.191 -5.145 9.407 37 1HG GLU 4 1HG GLU 4 -2.039 -3.637 10.981 38 2HG GLU 4 2HG GLU 4 -3.153 -2.329 10.574 39 H ARG 5 H ARG 5 -4.241 -3.379 6.510 40 HA ARG 5 HA ARG 5 -3.999 -5.779 5.051 41 1HB ARG 5 1HB ARG 5 -5.967 -4.631 4.874 42 2HB ARG 5 2HB ARG 5 -5.238 -3.058 4.677 43 1HG ARG 5 1HG ARG 5 -4.888 -3.252 2.414 44 2HG ARG 5 2HG ARG 5 -4.953 -5.007 2.478 45 1HD ARG 5 1HD ARG 5 -6.951 -4.141 1.438 46 2HD ARG 5 2HD ARG 5 -7.341 -4.996 2.918 47 HE ARG 5 HE ARG 5 -7.642 -2.125 2.328 48 1HH1 ARG 5 2HH2 ARG 5 -7.772 -4.529 4.970 49 2HH1 ARG 5 1HH2 ARG 5 -9.115 -3.734 5.748 50 1HH2 ARG 5 2HH1 ARG 5 -9.422 -1.087 3.536 51 2HH2 ARG 5 1HH1 ARG 5 -9.949 -1.851 4.994 52 H ILE 6 H ILE 6 -2.521 -2.590 4.397 53 HA ILE 6 HA ILE 6 -1.160 -3.431 2.013 54 HB ILE 6 HB ILE 6 -0.782 -1.094 3.919 55 1HG1 ILE 6 1HG1 ILE 6 -1.811 -1.069 1.043 56 2HG1 ILE 6 2HG1 ILE 6 -2.904 -1.413 2.368 57 1HG2 ILE 6 1HG2 ILE 6 1.383 -1.490 2.779 58 2HG2 ILE 6 2HG2 ILE 6 0.568 -1.524 1.206 59 3HG2 ILE 6 3HG2 ILE 6 0.628 -0.027 2.168 60 1HD1 ILE 6 1HD1 ILE 6 -3.095 0.909 1.861 61 2HD1 ILE 6 2HD1 ILE 6 -2.289 0.770 3.434 62 3HD1 ILE 6 3HD1 ILE 6 -1.341 1.142 1.974 63 H ARG 7 H ARG 7 -0.034 -3.073 5.457 64 HA ARG 7 HA ARG 7 2.587 -3.996 4.961 65 1HB ARG 7 1HB ARG 7 1.680 -2.925 7.060 66 2HB ARG 7 2HB ARG 7 0.943 -4.454 7.506 67 1HG ARG 7 1HG ARG 7 3.885 -4.500 6.862 68 2HG ARG 7 2HG ARG 7 3.387 -3.654 8.341 69 1HD ARG 7 1HD ARG 7 2.122 -5.624 9.062 70 2HD ARG 7 2HD ARG 7 2.644 -6.531 7.634 71 HE ARG 7 HE ARG 7 5.012 -5.845 8.659 72 1HH1 ARG 7 2HH2 ARG 7 2.161 -7.278 10.225 73 2HH1 ARG 7 1HH2 ARG 7 3.059 -8.014 11.519 74 1HH2 ARG 7 2HH1 ARG 7 6.172 -6.899 10.200 75 2HH2 ARG 7 1HH1 ARG 7 5.490 -7.854 11.476 76 H ALA 8 H ALA 8 -0.302 -5.885 5.876 77 HA ALA 8 HA ALA 8 0.939 -8.374 6.101 78 1HB ALA 8 1HB ALA 8 -1.362 -7.919 6.888 79 2HB ALA 8 2HB ALA 8 -1.914 -7.766 5.203 80 3HB ALA 8 3HB ALA 8 -1.322 -9.325 5.810 81 H ARG 9 H ARG 9 -0.663 -6.917 3.281 82 HA ARG 9 HA ARG 9 -0.051 -9.109 1.555 83 1HB ARG 9 1HB ARG 9 -1.949 -7.747 1.295 84 2HB ARG 9 2HB ARG 9 -0.990 -6.260 1.157 85 1HG ARG 9 1HG ARG 9 -1.828 -6.780 -0.968 86 2HG ARG 9 2HG ARG 9 -0.079 -7.105 -0.975 87 1HD ARG 9 1HD ARG 9 -0.533 -9.515 -0.830 88 2HD ARG 9 2HD ARG 9 -2.286 -9.176 -0.803 89 HE ARG 9 HE ARG 9 -1.030 -7.849 -3.020 90 1HH1 ARG 9 2HH2 ARG 9 -2.017 -11.128 -1.965 91 2HH1 ARG 9 1HH2 ARG 9 -2.173 -11.752 -3.570 92 1HH2 ARG 9 2HH1 ARG 9 -1.106 -8.712 -5.097 93 2HH2 ARG 9 1HH1 ARG 9 -1.581 -10.344 -5.428 94 H ARG 10 H ARG 10 1.710 -5.994 2.159 95 HA ARG 10 HA ARG 10 3.626 -6.361 0.098 96 1HB ARG 10 1HB ARG 10 3.390 -4.342 1.937 97 2HB ARG 10 2HB ARG 10 4.415 -5.384 2.852 98 1HG ARG 10 1HG ARG 10 6.140 -5.366 1.168 99 2HG ARG 10 2HG ARG 10 5.078 -4.610 -0.030 100 1HD ARG 10 1HD ARG 10 6.861 -3.108 1.156 101 2HD ARG 10 2HD ARG 10 5.224 -2.514 0.964 102 HE ARG 10 HE ARG 10 4.806 -2.529 3.116 103 1HH1 ARG 10 2HH2 ARG 10 7.598 -4.851 2.804 104 2HH1 ARG 10 1HH2 ARG 10 7.794 -4.821 4.531 105 1HH2 ARG 10 2HH1 ARG 10 4.924 -2.879 5.185 106 2HH2 ARG 10 1HH1 ARG 10 6.001 -4.009 5.925 107 H ILE 11 H ILE 11 3.579 -7.506 3.492 108 HA ILE 11 HA ILE 11 6.020 -8.985 3.310 109 HB ILE 11 HB ILE 11 3.650 -9.005 5.196 110 1HG1 ILE 11 1HG1 ILE 11 4.968 -6.922 5.278 111 2HG1 ILE 11 2HG1 ILE 11 5.200 -7.839 6.750 112 1HG2 ILE 11 1HG2 ILE 11 4.574 -11.185 5.463 113 2HG2 ILE 11 2HG2 ILE 11 6.236 -10.567 5.476 114 3HG2 ILE 11 3HG2 ILE 11 5.124 -10.209 6.824 115 1HD1 ILE 11 1HD1 ILE 11 7.174 -7.598 4.426 116 2HD1 ILE 11 2HD1 ILE 11 7.297 -6.847 6.013 117 3HD1 ILE 11 3HD1 ILE 11 7.429 -8.603 5.868 118 H GLN 12 H GLN 12 2.623 -9.901 2.700 119 HA GLN 12 HA GLN 12 3.107 -12.582 2.048 120 1HB GLN 12 1HB GLN 12 0.886 -11.202 2.114 121 2HB GLN 12 2HB GLN 12 1.214 -10.842 0.416 122 1HG GLN 12 1HG GLN 12 1.182 -13.280 -0.073 123 2HG GLN 12 2HG GLN 12 0.813 -13.597 1.627 124 1HE2 GLN 12 1HE2 GLN 12 -0.750 -13.495 -1.322 125 2HE2 GLN 12 2HE2 GLN 12 -2.315 -13.123 -0.592 126 H LEU 13 H LEU 13 3.720 -9.748 0.045 127 HA LEU 13 HA LEU 13 4.725 -11.394 -2.174 128 1HB LEU 13 1HB LEU 13 3.646 -9.187 -2.519 129 2HB LEU 13 2HB LEU 13 4.953 -8.403 -1.671 130 HG LEU 13 HG LEU 13 6.533 -9.008 -3.446 131 1HD1 LEU 13 1HD1 LEU 13 5.791 -10.136 -5.522 132 2HD1 LEU 13 2HD1 LEU 13 5.665 -11.209 -4.131 133 3HD1 LEU 13 3HD1 LEU 13 4.201 -10.447 -4.779 134 1HD2 LEU 13 1HD2 LEU 13 5.630 -7.703 -5.255 135 2HD2 LEU 13 2HD2 LEU 13 3.955 -8.000 -4.722 136 3HD2 LEU 13 3HD2 LEU 13 5.022 -6.992 -3.739 137 H GLY 14 H GLY 14 5.932 -10.287 0.831 138 1HA GLY 14 1HA GLY 14 7.862 -10.622 1.935 139 2HA GLY 14 2HA GLY 14 8.329 -11.757 0.680 140 H LEU 15 H LEU 15 7.716 -8.170 0.333 141 HA LEU 15 HA LEU 15 10.552 -7.756 -0.148 142 1HB LEU 15 1HB LEU 15 10.221 -6.840 -2.111 143 2HB LEU 15 2HB LEU 15 8.871 -7.939 -2.206 144 HG LEU 15 HG LEU 15 8.619 -5.065 -1.196 145 1HD1 LEU 15 1HD1 LEU 15 9.469 -5.058 -3.590 146 2HD1 LEU 15 2HD1 LEU 15 8.099 -6.082 -4.035 147 3HD1 LEU 15 3HD1 LEU 15 7.824 -4.427 -3.454 148 1HD2 LEU 15 1HD2 LEU 15 6.795 -6.527 -0.602 149 2HD2 LEU 15 2HD2 LEU 15 6.256 -5.377 -1.846 150 3HD2 LEU 15 3HD2 LEU 15 6.656 -7.053 -2.269 151 H ASN 16 H ASN 16 11.135 -5.489 -0.018 152 HA ASN 16 HA ASN 16 10.446 -4.677 2.696 153 1HB ASN 16 1HB ASN 16 12.305 -3.308 0.700 154 2HB ASN 16 2HB ASN 16 12.209 -2.975 2.402 155 1HD2 ASN 16 1HD2 ASN 16 13.480 -5.505 0.026 156 2HD2 ASN 16 2HD2 ASN 16 14.183 -6.391 1.333 157 H GLN 17 H GLN 17 10.055 -2.285 3.245 158 HA GLN 17 HA GLN 17 7.774 -1.242 1.885 159 1HB GLN 17 1HB GLN 17 9.698 -0.097 3.952 160 2HB GLN 17 2HB GLN 17 8.231 0.728 3.424 161 1HG GLN 17 1HG GLN 17 6.825 -1.024 4.291 162 2HG GLN 17 2HG GLN 17 8.196 -2.125 4.500 163 1HE2 GLN 17 1HE2 GLN 17 7.417 1.141 5.483 164 2HE2 GLN 17 2HE2 GLN 17 7.752 0.955 7.214 165 H ALA 18 H ALA 18 11.255 -0.479 1.822 166 HA ALA 18 HA ALA 18 11.286 1.731 0.119 167 1HB ALA 18 1HB ALA 18 13.304 -0.561 0.394 168 2HB ALA 18 2HB ALA 18 13.636 1.058 -0.244 169 3HB ALA 18 3HB ALA 18 13.205 0.848 1.460 170 H GLU 19 H GLU 19 11.672 -1.734 -0.667 171 HA GLU 19 HA GLU 19 11.838 -1.378 -3.457 172 1HB GLU 19 1HB GLU 19 10.905 -3.806 -1.854 173 2HB GLU 19 2HB GLU 19 11.317 -3.786 -3.578 174 1HG GLU 19 1HG GLU 19 13.577 -2.726 -2.774 175 2HG GLU 19 2HG GLU 19 13.152 -3.363 -1.205 176 H LEU 20 H LEU 20 8.925 -2.169 -1.466 177 HA LEU 20 HA LEU 20 7.148 -2.292 -3.694 178 1HB LEU 20 1HB LEU 20 6.510 -2.973 -1.348 179 2HB LEU 20 2HB LEU 20 6.540 -1.268 -0.882 180 HG LEU 20 HG LEU 20 4.822 -0.897 -2.807 181 1HD1 LEU 20 1HD1 LEU 20 4.453 -3.894 -2.431 182 2HD1 LEU 20 2HD1 LEU 20 3.456 -2.814 -3.432 183 3HD1 LEU 20 3HD1 LEU 20 5.147 -3.127 -3.874 184 1HD2 LEU 20 1HD2 LEU 20 4.257 -0.874 -0.358 185 2HD2 LEU 20 2HD2 LEU 20 2.945 -1.278 -1.468 186 3HD2 LEU 20 3HD2 LEU 20 3.727 -2.567 -0.545 187 H ALA 21 H ALA 21 8.038 0.412 -1.551 188 HA ALA 21 HA ALA 21 6.586 2.439 -2.723 189 1HB ALA 21 1HB ALA 21 8.204 3.984 -1.805 190 2HB ALA 21 2HB ALA 21 7.961 2.680 -0.639 191 3HB ALA 21 3HB ALA 21 9.425 2.734 -1.627 192 H GLN 22 H GLN 22 9.921 1.477 -3.596 193 HA GLN 22 HA GLN 22 10.381 3.355 -5.637 194 1HB GLN 22 1HB GLN 22 11.429 0.572 -5.021 195 2HB GLN 22 2HB GLN 22 12.052 1.493 -6.393 196 1HG GLN 22 1HG GLN 22 13.114 3.074 -5.087 197 2HG GLN 22 2HG GLN 22 11.972 2.932 -3.762 198 1HE2 GLN 22 1HE2 GLN 22 13.509 -0.112 -4.961 199 2HE2 GLN 22 2HE2 GLN 22 14.546 -0.242 -3.553 200 H LYS 23 H LYS 23 8.968 -0.007 -5.859 201 HA LYS 23 HA LYS 23 8.703 0.197 -8.683 202 1HB LYS 23 1HB LYS 23 8.278 -1.940 -8.510 203 2HB LYS 23 2HB LYS 23 8.629 -1.812 -6.817 204 1HG LYS 23 1HG LYS 23 6.169 -1.406 -6.386 205 2HG LYS 23 2HG LYS 23 5.876 -1.729 -8.112 206 1HD LYS 23 1HD LYS 23 6.943 -3.968 -7.814 207 2HD LYS 23 2HD LYS 23 7.123 -3.625 -6.070 208 1HE LYS 23 1HE LYS 23 4.650 -3.238 -5.921 209 2HE LYS 23 2HE LYS 23 4.506 -3.547 -7.637 210 1HZ LYS 23 1HZ LYS 23 5.195 -5.521 -5.541 211 2HZ LYS 23 2HZ LYS 23 4.003 -5.601 -6.682 212 3HZ LYS 23 3HZ LYS 23 5.583 -5.821 -7.075 213 H VAL 24 H VAL 24 6.436 1.216 -6.038 214 HA VAL 24 HA VAL 24 4.380 1.838 -8.007 215 HB VAL 24 HB VAL 24 4.603 2.759 -5.178 216 1HG1 VAL 24 1HG1 VAL 24 2.638 3.426 -6.654 217 2HG1 VAL 24 2HG1 VAL 24 2.271 1.706 -6.870 218 3HG1 VAL 24 3HG1 VAL 24 2.107 2.464 -5.261 219 1HG2 VAL 24 1HG2 VAL 24 3.007 0.435 -4.921 220 2HG2 VAL 24 2HG2 VAL 24 4.454 -0.087 -5.772 221 3HG2 VAL 24 3HG2 VAL 24 4.563 0.790 -4.225 222 H GLY 25 H GLY 25 7.261 3.250 -6.864 223 1HA GLY 25 1HA GLY 25 8.413 5.084 -7.585 224 2HA GLY 25 2HA GLY 25 7.014 5.610 -8.518 225 H VAL 26 H VAL 26 6.827 4.829 -5.103 226 HA VAL 26 HA VAL 26 6.505 7.633 -4.363 227 HB VAL 26 HB VAL 26 5.095 6.832 -2.638 228 1HG1 VAL 26 1HG1 VAL 26 3.165 6.216 -3.923 229 2HG1 VAL 26 2HG1 VAL 26 4.125 7.328 -4.900 230 3HG1 VAL 26 3HG1 VAL 26 4.146 5.581 -5.243 231 1HG2 VAL 26 1HG2 VAL 26 5.945 4.662 -2.079 232 2HG2 VAL 26 2HG2 VAL 26 4.224 4.553 -2.464 233 3HG2 VAL 26 3HG2 VAL 26 5.429 4.030 -3.657 234 H ASP 27 H ASP 27 7.014 7.799 -1.835 235 HA ASP 27 HA ASP 27 9.807 7.067 -1.485 236 1HB ASP 27 1HB ASP 27 8.914 8.162 0.868 237 2HB ASP 27 2HB ASP 27 9.613 9.070 -0.460 238 H GLN 28 H GLN 28 10.508 5.788 0.354 239 HA GLN 28 HA GLN 28 8.977 3.514 1.163 240 1HB GLN 28 1HB GLN 28 11.454 3.785 1.423 241 2HB GLN 28 2HB GLN 28 11.158 4.950 2.724 242 1HG GLN 28 1HG GLN 28 9.730 3.020 3.820 243 2HG GLN 28 2HG GLN 28 10.517 1.982 2.651 244 1HE2 GLN 28 1HE2 GLN 28 10.937 4.067 5.463 245 2HE2 GLN 28 2HE2 GLN 28 12.537 3.487 5.894 246 H GLN 29 H GLN 29 9.343 6.792 2.480 247 HA GLN 29 HA GLN 29 7.982 6.500 4.888 248 1HB GLN 29 1HB GLN 29 9.407 8.432 3.809 249 2HB GLN 29 2HB GLN 29 7.873 9.065 3.229 250 1HG GLN 29 1HG GLN 29 8.504 8.444 6.154 251 2HG GLN 29 2HG GLN 29 8.837 9.990 5.386 252 1HE2 GLN 29 1HE2 GLN 29 6.961 11.194 4.412 253 2HE2 GLN 29 2HE2 GLN 29 5.417 11.115 5.259 254 H ALA 30 H ALA 30 6.626 7.309 1.602 255 HA ALA 30 HA ALA 30 3.964 7.624 2.368 256 1HB ALA 30 1HB ALA 30 4.993 6.352 -0.196 257 2HB ALA 30 2HB ALA 30 3.366 6.983 0.084 258 3HB ALA 30 3HB ALA 30 4.734 8.092 0.077 259 H ILE 31 H ILE 31 5.785 4.564 1.821 260 HA ILE 31 HA ILE 31 3.380 2.938 2.107 261 HB ILE 31 HB ILE 31 6.317 2.162 2.273 262 1HG1 ILE 31 1HG1 ILE 31 5.967 3.070 0.115 263 2HG1 ILE 31 2HG1 ILE 31 6.000 1.327 -0.041 264 1HG2 ILE 31 1HG2 ILE 31 4.955 0.444 3.311 265 2HG2 ILE 31 2HG2 ILE 31 3.849 0.411 1.936 266 3HG2 ILE 31 3HG2 ILE 31 5.534 -0.132 1.749 267 1HD1 ILE 31 1HD1 ILE 31 3.446 1.392 -0.185 268 2HD1 ILE 31 2HD1 ILE 31 3.574 3.166 -0.221 269 3HD1 ILE 31 3HD1 ILE 31 4.302 2.202 -1.510 270 H GLU 32 H GLU 32 6.018 4.039 4.271 271 HA GLU 32 HA GLU 32 5.208 2.522 6.579 272 1HB GLU 32 1HB GLU 32 7.347 3.532 6.723 273 2HB GLU 32 2HB GLU 32 6.762 5.108 6.173 274 1HG GLU 32 1HG GLU 32 5.612 5.545 8.225 275 2HG GLU 32 2HG GLU 32 5.805 3.863 8.750 276 H GLN 33 H GLN 33 4.322 5.862 5.552 277 HA GLN 33 HA GLN 33 2.667 6.198 7.810 278 1HB GLN 33 1HB GLN 33 1.915 8.200 6.903 279 2HB GLN 33 2HB GLN 33 3.609 8.048 6.462 280 1HG GLN 33 1HG GLN 33 2.954 7.306 4.226 281 2HG GLN 33 2HG GLN 33 1.243 7.419 4.641 282 1HE2 GLN 33 1HE2 GLN 33 4.164 9.365 3.885 283 2HE2 GLN 33 2HE2 GLN 33 3.246 10.856 3.730 284 H LEU 34 H LEU 34 1.990 4.816 4.610 285 HA LEU 34 HA LEU 34 -0.853 4.765 4.789 286 1HB LEU 34 1HB LEU 34 1.378 3.507 3.214 287 2HB LEU 34 2HB LEU 34 -0.045 2.529 3.335 288 HG LEU 34 HG LEU 34 -0.178 5.431 2.535 289 1HD1 LEU 34 1HD1 LEU 34 0.119 2.934 0.808 290 2HD1 LEU 34 2HD1 LEU 34 -0.253 4.553 0.169 291 3HD1 LEU 34 3HD1 LEU 34 1.297 4.231 0.989 292 1HD2 LEU 34 1HD2 LEU 34 -2.343 4.203 3.212 293 2HD2 LEU 34 2HD2 LEU 34 -2.313 5.025 1.652 294 3HD2 LEU 34 3HD2 LEU 34 -2.138 3.265 1.716 295 H GLU 35 H GLU 35 1.770 2.562 5.682 296 HA GLU 35 HA GLU 35 0.103 0.421 6.569 297 1HB GLU 35 1HB GLU 35 3.031 0.999 6.944 298 2HB GLU 35 2HB GLU 35 2.219 -0.415 7.656 299 1HG GLU 35 1HG GLU 35 1.367 -1.099 5.456 300 2HG GLU 35 2HG GLU 35 2.113 0.280 4.681 301 H ASN 36 H ASN 36 1.301 3.286 8.277 302 HA ASN 36 HA ASN 36 0.138 2.338 10.778 303 1HB ASN 36 1HB ASN 36 1.063 4.062 11.784 304 2HB ASN 36 2HB ASN 36 2.187 3.896 10.465 305 1HD2 ASN 36 1HD2 ASN 36 2.826 5.951 9.761 306 2HD2 ASN 36 2HD2 ASN 36 1.900 7.401 10.055 307 H GLY 37 H GLY 37 -1.244 3.570 7.939 308 1HA GLY 37 1HA GLY 37 -3.536 3.746 7.613 309 2HA GLY 37 2HA GLY 37 -3.788 4.077 9.326 310 H LYS 38 H LYS 38 -1.224 6.028 8.121 311 HA LYS 38 HA LYS 38 -2.823 8.351 8.722 312 1HB LYS 38 1HB LYS 38 -0.786 8.648 9.611 313 2HB LYS 38 2HB LYS 38 0.015 7.642 8.427 314 1HG LYS 38 1HG LYS 38 0.971 9.698 8.215 315 2HG LYS 38 2HG LYS 38 -0.049 9.457 6.799 316 1HD LYS 38 1HD LYS 38 -1.740 10.873 8.500 317 2HD LYS 38 2HD LYS 38 -0.171 11.490 8.989 318 1HE LYS 38 1HE LYS 38 -1.428 11.591 6.219 319 2HE LYS 38 2HE LYS 38 -1.073 12.942 7.297 320 1HZ LYS 38 1HZ LYS 38 0.605 12.956 5.726 321 2HZ LYS 38 2HZ LYS 38 1.327 12.234 7.014 322 3HZ LYS 38 3HZ LYS 38 0.819 11.325 5.733 323 H ALA 39 H ALA 39 -1.794 6.880 5.564 324 HA ALA 39 HA ALA 39 -3.093 9.229 4.262 325 1HB ALA 39 1HB ALA 39 -0.935 8.562 3.335 326 2HB ALA 39 2HB ALA 39 -1.539 6.903 3.136 327 3HB ALA 39 3HB ALA 39 -2.256 8.223 2.190 328 H LYS 40 H LYS 40 -5.238 8.934 4.639 329 HA LYS 40 HA LYS 40 -6.665 6.528 4.939 330 1HB LYS 40 1HB LYS 40 -7.335 8.859 5.555 331 2HB LYS 40 2HB LYS 40 -7.672 9.213 3.871 332 1HG LYS 40 1HG LYS 40 -9.021 6.925 5.367 333 2HG LYS 40 2HG LYS 40 -9.585 8.598 5.486 334 1HD LYS 40 1HD LYS 40 -9.712 8.575 2.900 335 2HD LYS 40 2HD LYS 40 -9.617 6.799 3.037 336 1HE LYS 40 1HE LYS 40 -11.601 6.774 4.489 337 2HE LYS 40 2HE LYS 40 -11.576 8.527 4.595 338 1HZ LYS 40 1HZ LYS 40 -13.186 8.155 3.077 339 2HZ LYS 40 2HZ LYS 40 -11.923 8.442 2.068 340 3HZ LYS 40 3HZ LYS 40 -12.437 6.888 2.340 341 H ARG 41 H ARG 41 -6.682 8.652 2.031 342 HA ARG 41 HA ARG 41 -6.638 6.219 0.333 343 1HB ARG 41 1HB ARG 41 -8.745 7.233 -0.004 344 2HB ARG 41 2HB ARG 41 -8.083 8.860 -0.075 345 1HG ARG 41 1HG ARG 41 -7.074 8.581 -2.195 346 2HG ARG 41 2HG ARG 41 -7.082 6.831 -2.066 347 1HD ARG 41 1HD ARG 41 -8.740 7.268 -3.644 348 2HD ARG 41 2HD ARG 41 -9.660 6.954 -2.159 349 HE ARG 41 HE ARG 41 -8.976 9.754 -2.562 350 1HH1 ARG 41 2HH2 ARG 41 -11.390 7.314 -3.653 351 2HH1 ARG 41 1HH2 ARG 41 -12.319 8.513 -4.472 352 1HH2 ARG 41 2HH1 ARG 41 -10.174 11.196 -3.554 353 2HH2 ARG 41 1HH1 ARG 41 -11.622 10.814 -4.449 354 HA PRO 42 HA PRO 42 -2.767 8.558 -0.350 355 1HB PRO 42 1HB PRO 42 -1.476 6.704 -1.905 356 2HB PRO 42 2HB PRO 42 -1.575 6.581 -0.120 357 1HG PRO 42 1HG PRO 42 -3.207 5.163 -2.218 358 2HG PRO 42 2HG PRO 42 -2.537 4.486 -0.713 359 1HD PRO 42 1HD PRO 42 -5.165 5.344 -1.038 360 2HD PRO 42 2HD PRO 42 -4.358 5.311 0.540 361 H ARG 43 H ARG 43 -2.056 9.755 -2.251 362 HA ARG 43 HA ARG 43 -4.067 10.223 -4.225 363 1HB ARG 43 1HB ARG 43 -2.539 11.633 -5.360 364 2HB ARG 43 2HB ARG 43 -2.212 11.828 -3.637 365 1HG ARG 43 1HG ARG 43 -0.208 10.459 -3.810 366 2HG ARG 43 2HG ARG 43 -0.541 10.075 -5.512 367 1HD ARG 43 1HD ARG 43 -0.295 12.423 -6.140 368 2HD ARG 43 2HD ARG 43 -0.020 12.850 -4.455 369 HE ARG 43 HE ARG 43 2.112 11.909 -4.485 370 1HH1 ARG 43 2HH2 ARG 43 0.725 11.862 -7.812 371 2HH1 ARG 43 1HH2 ARG 43 2.183 11.187 -8.449 372 1HH2 ARG 43 2HH1 ARG 43 4.033 11.120 -5.512 373 2HH2 ARG 43 1HH1 ARG 43 4.030 10.919 -7.228 374 H PHE 44 H PHE 44 -1.542 7.877 -4.084 375 HA PHE 44 HA PHE 44 -1.729 7.150 -6.935 376 1HB PHE 44 1HB PHE 44 0.393 6.014 -6.482 377 2HB PHE 44 2HB PHE 44 0.461 7.715 -6.069 378 HD1 PHE 44 1HD PHE 44 0.601 4.299 -4.813 379 HD2 PHE 44 2HD PHE 44 0.674 8.447 -3.681 380 HE1 PHE 44 1HE PHE 44 1.309 3.671 -2.496 381 HE2 PHE 44 2HE PHE 44 1.378 7.824 -1.395 382 HZ PHE 44 HZ PHE 44 1.627 5.405 -0.793 383 H LEU 45 H LEU 45 -3.831 6.414 -4.719 384 HA LEU 45 HA LEU 45 -3.733 3.835 -3.899 385 1HB LEU 45 1HB LEU 45 -5.440 5.435 -3.281 386 2HB LEU 45 2HB LEU 45 -6.020 5.551 -4.935 387 HG LEU 45 HG LEU 45 -6.791 3.243 -4.858 388 1HD1 LEU 45 1HD1 LEU 45 -6.913 2.001 -2.749 389 2HD1 LEU 45 2HD1 LEU 45 -5.222 2.325 -3.165 390 3HD1 LEU 45 3HD1 LEU 45 -6.017 3.278 -1.901 391 1HD2 LEU 45 1HD2 LEU 45 -7.800 4.826 -2.454 392 2HD2 LEU 45 2HD2 LEU 45 -8.306 5.096 -4.152 393 3HD2 LEU 45 3HD2 LEU 45 -8.683 3.581 -3.316 394 HA PRO 46 HA PRO 46 -5.267 1.815 -7.846 395 1HB PRO 46 1HB PRO 46 -5.065 2.992 -10.297 396 2HB PRO 46 2HB PRO 46 -6.490 3.169 -9.241 397 1HG PRO 46 1HG PRO 46 -4.164 5.081 -9.539 398 2HG PRO 46 2HG PRO 46 -5.916 5.457 -9.567 399 1HD PRO 46 1HD PRO 46 -4.427 5.782 -7.332 400 2HD PRO 46 2HD PRO 46 -6.105 5.181 -7.227 401 H GLU 47 H GLU 47 -2.425 3.867 -7.907 402 HA GLU 47 HA GLU 47 -0.871 2.154 -9.660 403 1HB GLU 47 1HB GLU 47 -0.561 4.753 -8.444 404 2HB GLU 47 2HB GLU 47 0.732 3.750 -7.823 405 1HG GLU 47 1HG GLU 47 0.130 4.482 -10.685 406 2HG GLU 47 2HG GLU 47 1.571 4.864 -9.745 407 H LEU 48 H LEU 48 -1.288 2.712 -6.128 408 HA LEU 48 HA LEU 48 0.615 0.820 -5.250 409 1HB LEU 48 1HB LEU 48 -0.539 2.671 -4.004 410 2HB LEU 48 2HB LEU 48 -1.902 1.606 -3.811 411 HG LEU 48 HG LEU 48 0.921 1.520 -2.675 412 1HD1 LEU 48 1HD1 LEU 48 -0.923 2.594 -1.427 413 2HD1 LEU 48 2HD1 LEU 48 -1.791 1.044 -1.387 414 3HD1 LEU 48 3HD1 LEU 48 -0.240 1.199 -0.553 415 1HD2 LEU 48 1HD2 LEU 48 -0.814 -0.951 -2.695 416 2HD2 LEU 48 2HD2 LEU 48 0.830 -0.753 -3.369 417 3HD2 LEU 48 3HD2 LEU 48 0.581 -0.681 -1.629 418 H ALA 49 H ALA 49 -2.961 0.628 -5.799 419 HA ALA 49 HA ALA 49 -3.090 -2.141 -5.068 420 1HB ALA 49 1HB ALA 49 -4.857 -0.550 -7.020 421 2HB ALA 49 2HB ALA 49 -5.263 -2.134 -6.349 422 3HB ALA 49 3HB ALA 49 -5.157 -0.738 -5.286 423 H ARG 50 H ARG 50 -2.564 -0.696 -8.339 424 HA ARG 50 HA ARG 50 -2.478 -3.145 -9.735 425 1HB ARG 50 1HB ARG 50 -2.548 -0.795 -10.710 426 2HB ARG 50 2HB ARG 50 -0.884 -0.558 -10.181 427 1HG ARG 50 1HG ARG 50 -0.384 -2.665 -11.714 428 2HG ARG 50 2HG ARG 50 -1.979 -2.297 -12.386 429 1HD ARG 50 1HD ARG 50 -0.581 -1.054 -13.773 430 2HD ARG 50 2HD ARG 50 -1.056 0.162 -12.584 431 HE ARG 50 HE ARG 50 1.294 -1.042 -11.615 432 1HH1 ARG 50 2HH2 ARG 50 0.363 1.202 -14.073 433 2HH1 ARG 50 1HH2 ARG 50 1.938 1.593 -14.645 434 1HH2 ARG 50 2HH1 ARG 50 3.388 -0.217 -11.962 435 2HH2 ARG 50 1HH1 ARG 50 3.809 0.543 -13.447 436 H ALA 51 H ALA 51 0.158 -1.300 -8.155 437 HA ALA 51 HA ALA 51 2.267 -3.068 -8.767 438 1HB ALA 51 1HB ALA 51 1.894 -1.159 -6.410 439 2HB ALA 51 2HB ALA 51 3.437 -1.817 -6.970 440 3HB ALA 51 3HB ALA 51 2.527 -0.723 -8.008 441 H LEU 52 H LEU 52 0.116 -2.874 -5.849 442 HA LEU 52 HA LEU 52 1.297 -5.046 -4.448 443 1HB LEU 52 1HB LEU 52 -0.251 -3.080 -3.718 444 2HB LEU 52 2HB LEU 52 -1.553 -4.193 -4.114 445 HG LEU 52 HG LEU 52 -0.521 -5.756 -2.525 446 1HD1 LEU 52 1HD1 LEU 52 1.389 -3.439 -1.849 447 2HD1 LEU 52 2HD1 LEU 52 1.179 -4.877 -0.830 448 3HD1 LEU 52 3HD1 LEU 52 1.878 -5.045 -2.428 449 1HD2 LEU 52 1HD2 LEU 52 -2.266 -4.186 -1.799 450 2HD2 LEU 52 2HD2 LEU 52 -1.133 -4.481 -0.464 451 3HD2 LEU 52 3HD2 LEU 52 -1.027 -2.975 -1.396 452 H GLY 53 H GLY 53 -1.075 -4.893 -7.058 453 1HA GLY 53 1HA GLY 53 -1.641 -6.598 -8.468 454 2HA GLY 53 2HA GLY 53 -0.947 -7.810 -7.380 455 H VAL 54 H VAL 54 -3.366 -5.214 -6.717 456 HA VAL 54 HA VAL 54 -5.435 -7.242 -6.224 457 HB VAL 54 HB VAL 54 -5.969 -6.370 -4.020 458 1HG1 VAL 54 1HG1 VAL 54 -4.271 -8.192 -4.117 459 2HG1 VAL 54 2HG1 VAL 54 -2.986 -6.961 -4.033 460 3HG1 VAL 54 3HG1 VAL 54 -4.126 -7.168 -2.690 461 1HG2 VAL 54 1HG2 VAL 54 -4.234 -4.794 -2.915 462 2HG2 VAL 54 2HG2 VAL 54 -3.751 -4.383 -4.564 463 3HG2 VAL 54 3HG2 VAL 54 -5.415 -4.099 -4.028 464 H ALA 55 H ALA 55 -7.568 -5.925 -5.677 465 HA ALA 55 HA ALA 55 -7.928 -3.868 -7.730 466 1HB ALA 55 1HB ALA 55 -10.264 -3.778 -6.664 467 2HB ALA 55 2HB ALA 55 -9.782 -5.329 -7.346 468 3HB ALA 55 3HB ALA 55 -9.737 -5.078 -5.587 469 H VAL 56 H VAL 56 -8.580 -1.689 -7.310 470 HA VAL 56 HA VAL 56 -7.547 -0.211 -5.012 471 HB VAL 56 HB VAL 56 -9.643 0.227 -7.224 472 1HG1 VAL 56 1HG1 VAL 56 -8.937 2.178 -5.020 473 2HG1 VAL 56 2HG1 VAL 56 -9.708 2.650 -6.549 474 3HG1 VAL 56 3HG1 VAL 56 -10.544 1.557 -5.449 475 1HG2 VAL 56 1HG2 VAL 56 -6.989 1.583 -6.639 476 2HG2 VAL 56 2HG2 VAL 56 -7.245 0.322 -7.869 477 3HG2 VAL 56 3HG2 VAL 56 -8.033 1.892 -8.041 478 H ASP 57 H ASP 57 -10.771 -1.807 -5.739 479 HA ASP 57 HA ASP 57 -11.754 -0.774 -3.260 480 1HB ASP 57 1HB ASP 57 -12.916 -1.752 -5.496 481 2HB ASP 57 2HB ASP 57 -13.102 -3.119 -4.420 482 H TRP 58 H TRP 58 -9.758 -3.457 -4.048 483 HA TRP 58 HA TRP 58 -10.318 -4.929 -1.551 484 1HB TRP 58 1HB TRP 58 -9.274 -6.115 -3.484 485 2HB TRP 58 2HB TRP 58 -7.867 -5.063 -3.301 486 HD1 TRP 58 HD TRP 58 -9.598 -7.980 -1.751 487 HE1 TRP 58 1HE TRP 58 -8.126 -9.140 0.013 488 HE3 TRP 58 3HE TRP 58 -5.911 -4.513 -1.499 489 HZ2 TRP 58 2HZ TRP 58 -5.544 -8.646 1.237 490 HZ3 TRP 58 3HZ TRP 58 -3.916 -4.880 -0.029 491 HH2 TRP 58 HH TRP 58 -3.799 -6.898 1.389 492 H LEU 59 H LEU 59 -7.855 -2.588 -2.839 493 HA LEU 59 HA LEU 59 -6.479 -2.255 -0.413 494 1HB LEU 59 1HB LEU 59 -6.734 -0.856 -2.993 495 2HB LEU 59 2HB LEU 59 -6.395 0.157 -1.648 496 HG LEU 59 HG LEU 59 -4.767 -2.104 -2.780 497 1HD1 LEU 59 1HD1 LEU 59 -4.533 0.285 -3.528 498 2HD1 LEU 59 2HD1 LEU 59 -4.063 0.722 -1.879 499 3HD1 LEU 59 3HD1 LEU 59 -3.042 -0.376 -2.848 500 1HD2 LEU 59 1HD2 LEU 59 -4.343 -0.917 0.009 501 2HD2 LEU 59 2HD2 LEU 59 -4.452 -2.638 -0.430 502 3HD2 LEU 59 3HD2 LEU 59 -3.051 -1.710 -0.920 503 H LEU 60 H LEU 60 -9.372 -0.587 -1.532 504 HA LEU 60 HA LEU 60 -9.628 1.096 0.775 505 1HB LEU 60 1HB LEU 60 -11.562 0.149 -1.357 506 2HB LEU 60 2HB LEU 60 -12.065 1.226 -0.075 507 HG LEU 60 HG LEU 60 -9.659 1.900 -1.832 508 1HD1 LEU 60 1HD1 LEU 60 -12.542 2.661 -2.369 509 2HD1 LEU 60 2HD1 LEU 60 -11.111 3.182 -3.289 510 3HD1 LEU 60 3HD1 LEU 60 -11.605 1.486 -3.310 511 1HD2 LEU 60 1HD2 LEU 60 -9.890 3.266 0.190 512 2HD2 LEU 60 2HD2 LEU 60 -10.283 4.235 -1.228 513 3HD2 LEU 60 3HD2 LEU 60 -11.591 3.610 -0.199 514 H ASN 61 H ASN 61 -11.468 -1.835 -0.161 515 HA ASN 61 HA ASN 61 -12.646 -1.865 2.548 516 1HB ASN 61 1HB ASN 61 -13.531 -2.973 -0.144 517 2HB ASN 61 2HB ASN 61 -14.245 -3.528 1.347 518 1HD2 ASN 61 1HD2 ASN 61 -14.703 -1.250 -1.048 519 2HD2 ASN 61 2HD2 ASN 61 -15.738 -0.216 -0.039 520 H GLY 62 H GLY 62 -10.364 -3.842 0.765 521 1HA GLY 62 1HA GLY 62 -9.089 -5.490 1.651 522 2HA GLY 62 2HA GLY 62 -10.128 -5.584 3.072 523 H ALA 63 H ALA 63 -11.822 -5.868 0.071 524 HA ALA 63 HA ALA 63 -11.278 -8.630 -0.424 525 1HB ALA 63 1HB ALA 63 -12.707 -9.067 1.474 526 2HB ALA 63 2HB ALA 63 -13.965 -7.992 0.848 527 3HB ALA 63 3HB ALA 63 -13.569 -9.500 -0.009 Start of MODEL 10 1 1H MET 0 H MET 0 -10.320 -6.426 9.859 2 HA MET 0 HA MET 0 -7.513 -5.941 10.510 3 1HB MET 0 1HB MET 0 -7.629 -7.995 9.084 4 2HB MET 0 2HB MET 0 -8.378 -7.026 7.803 5 1HG MET 0 1HG MET 0 -6.346 -5.664 7.646 6 2HG MET 0 2HG MET 0 -5.616 -6.574 8.978 7 1HE MET 0 1HE MET 0 -6.192 -9.635 8.360 8 2HE MET 0 2HE MET 0 -4.773 -10.014 7.364 9 3HE MET 0 3HE MET 0 -4.602 -8.957 8.783 10 H LEU 1 H LEU 1 -6.704 -4.265 9.021 11 HA LEU 1 HA LEU 1 -8.736 -2.269 8.176 12 1HB LEU 1 1HB LEU 1 -6.343 -1.305 9.748 13 2HB LEU 1 2HB LEU 1 -7.821 -0.478 9.342 14 HG LEU 1 HG LEU 1 -8.894 -2.356 10.973 15 1HD1 LEU 1 1HD1 LEU 1 -6.706 -3.453 11.478 16 2HD1 LEU 1 2HD1 LEU 1 -6.057 -1.901 12.046 17 3HD1 LEU 1 3HD1 LEU 1 -7.378 -2.692 12.923 18 1HD2 LEU 1 1HD2 LEU 1 -9.153 0.062 11.241 19 2HD2 LEU 1 2HD2 LEU 1 -8.766 -0.693 12.789 20 3HD2 LEU 1 3HD2 LEU 1 -7.503 0.187 11.898 21 H MET 2 H MET 2 -7.383 -0.327 7.116 22 HA MET 2 HA MET 2 -6.132 -1.396 4.844 23 1HB MET 2 1HB MET 2 -6.308 1.349 6.143 24 2HB MET 2 2HB MET 2 -5.046 1.156 4.955 25 1HG MET 2 1HG MET 2 -6.491 0.793 3.186 26 2HG MET 2 2HG MET 2 -7.896 0.491 4.229 27 1HE MET 2 1HE MET 2 -8.250 3.899 2.061 28 2HE MET 2 2HE MET 2 -7.171 2.555 1.679 29 3HE MET 2 3HE MET 2 -8.843 2.229 2.222 30 H GLY 3 H GLY 3 -4.553 0.184 7.672 31 1HA GLY 3 1HA GLY 3 -1.998 0.112 6.581 32 2HA GLY 3 2HA GLY 3 -2.345 0.126 8.326 33 H GLU 4 H GLU 4 -3.565 -2.256 8.704 34 HA GLU 4 HA GLU 4 -1.439 -4.143 8.785 35 1HB GLU 4 1HB GLU 4 -4.458 -4.584 9.071 36 2HB GLU 4 2HB GLU 4 -3.200 -5.687 9.642 37 1HG GLU 4 1HG GLU 4 -3.750 -2.859 10.661 38 2HG GLU 4 2HG GLU 4 -4.176 -4.361 11.457 39 H ARG 5 H ARG 5 -4.276 -3.855 6.627 40 HA ARG 5 HA ARG 5 -3.874 -6.232 5.115 41 1HB ARG 5 1HB ARG 5 -5.966 -5.192 4.825 42 2HB ARG 5 2HB ARG 5 -5.283 -3.582 4.692 43 1HG ARG 5 1HG ARG 5 -4.553 -3.857 2.501 44 2HG ARG 5 2HG ARG 5 -4.657 -5.612 2.588 45 1HD ARG 5 1HD ARG 5 -6.353 -4.264 1.191 46 2HD ARG 5 2HD ARG 5 -6.850 -5.697 2.119 47 HE ARG 5 HE ARG 5 -8.470 -4.318 2.556 48 1HH1 ARG 5 2HH2 ARG 5 -5.769 -2.226 2.399 49 2HH1 ARG 5 1HH2 ARG 5 -6.846 -0.838 2.431 50 1HH2 ARG 5 2HH1 ARG 5 -9.643 -2.706 3.563 51 2HH2 ARG 5 1HH1 ARG 5 -9.111 -1.106 3.262 52 H ILE 6 H ILE 6 -2.618 -2.908 4.633 53 HA ILE 6 HA ILE 6 -1.250 -3.531 2.190 54 HB ILE 6 HB ILE 6 -0.931 -1.320 4.249 55 1HG1 ILE 6 1HG1 ILE 6 -2.070 -1.190 1.407 56 2HG1 ILE 6 2HG1 ILE 6 -3.091 -1.603 2.768 57 1HG2 ILE 6 1HG2 ILE 6 0.432 -0.082 2.629 58 2HG2 ILE 6 2HG2 ILE 6 1.212 -1.614 2.960 59 3HG2 ILE 6 3HG2 ILE 6 0.301 -1.405 1.450 60 1HD1 ILE 6 1HD1 ILE 6 -1.611 0.992 2.366 61 2HD1 ILE 6 2HD1 ILE 6 -3.363 0.727 2.357 62 3HD1 ILE 6 3HD1 ILE 6 -2.455 0.565 3.876 63 H ARG 7 H ARG 7 -0.166 -3.402 5.650 64 HA ARG 7 HA ARG 7 2.485 -4.219 5.148 65 1HB ARG 7 1HB ARG 7 1.502 -3.349 7.294 66 2HB ARG 7 2HB ARG 7 0.770 -4.920 7.591 67 1HG ARG 7 1HG ARG 7 3.713 -4.865 7.005 68 2HG ARG 7 2HG ARG 7 3.176 -4.077 8.496 69 1HD ARG 7 1HD ARG 7 2.278 -6.036 9.419 70 2HD ARG 7 2HD ARG 7 2.236 -6.867 7.857 71 HE ARG 7 HE ARG 7 4.310 -7.552 8.122 72 1HH1 ARG 7 2HH2 ARG 7 4.004 -4.734 10.322 73 2HH1 ARG 7 1HH2 ARG 7 5.607 -4.923 10.941 74 1HH2 ARG 7 2HH1 ARG 7 6.445 -7.828 9.147 75 2HH2 ARG 7 1HH1 ARG 7 6.974 -6.588 10.238 76 H ALA 8 H ALA 8 -0.436 -6.179 5.751 77 HA ALA 8 HA ALA 8 0.729 -8.719 5.743 78 1HB ALA 8 1HB ALA 8 -2.034 -7.980 4.670 79 2HB ALA 8 2HB ALA 8 -1.499 -9.587 5.163 80 3HB ALA 8 3HB ALA 8 -1.664 -8.298 6.366 81 H ARG 9 H ARG 9 -0.738 -6.988 2.960 82 HA ARG 9 HA ARG 9 -0.101 -8.961 1.081 83 1HB ARG 9 1HB ARG 9 -1.600 -6.720 1.058 84 2HB ARG 9 2HB ARG 9 -0.191 -6.090 0.249 85 1HG ARG 9 1HG ARG 9 -2.016 -8.362 -0.647 86 2HG ARG 9 2HG ARG 9 -1.792 -6.794 -1.389 87 1HD ARG 9 1HD ARG 9 0.715 -7.646 -1.730 88 2HD ARG 9 2HD ARG 9 0.006 -9.216 -1.375 89 HE ARG 9 HE ARG 9 -1.255 -7.528 -3.430 90 1HH1 ARG 9 2HH2 ARG 9 1.309 -9.859 -2.825 91 2HH1 ARG 9 1HH2 ARG 9 1.301 -10.557 -4.413 92 1HH2 ARG 9 2HH1 ARG 9 -1.699 -8.934 -5.398 93 2HH2 ARG 9 1HH1 ARG 9 -0.491 -10.097 -5.836 94 H ARG 10 H ARG 10 1.802 -6.096 2.157 95 HA ARG 10 HA ARG 10 3.866 -6.393 0.248 96 1HB ARG 10 1HB ARG 10 3.486 -4.558 2.317 97 2HB ARG 10 2HB ARG 10 4.671 -5.622 3.026 98 1HG ARG 10 1HG ARG 10 6.192 -5.332 1.171 99 2HG ARG 10 2HG ARG 10 4.989 -4.495 0.197 100 1HD ARG 10 1HD ARG 10 6.908 -3.182 1.479 101 2HD ARG 10 2HD ARG 10 5.298 -2.507 1.239 102 HE ARG 10 HE ARG 10 4.790 -2.636 3.382 103 1HH1 ARG 10 2HH2 ARG 10 7.643 -4.849 3.053 104 2HH1 ARG 10 1HH2 ARG 10 7.835 -5.003 4.755 105 1HH2 ARG 10 2HH1 ARG 10 5.001 -3.024 5.557 106 2HH2 ARG 10 1HH1 ARG 10 6.231 -4.088 6.190 107 H ILE 11 H ILE 11 3.536 -7.873 3.504 108 HA ILE 11 HA ILE 11 5.962 -9.414 3.289 109 HB ILE 11 HB ILE 11 3.496 -9.683 5.044 110 1HG1 ILE 11 1HG1 ILE 11 4.617 -7.599 5.516 111 2HG1 ILE 11 2HG1 ILE 11 5.013 -8.713 6.796 112 1HG2 ILE 11 1HG2 ILE 11 4.866 -11.064 6.566 113 2HG2 ILE 11 2HG2 ILE 11 4.606 -11.859 5.017 114 3HG2 ILE 11 3HG2 ILE 11 6.173 -11.097 5.366 115 1HD1 ILE 11 1HD1 ILE 11 6.802 -7.804 4.500 116 2HD1 ILE 11 2HD1 ILE 11 6.963 -7.457 6.223 117 3HD1 ILE 11 3HD1 ILE 11 7.252 -9.105 5.627 118 H GLN 12 H GLN 12 2.594 -10.098 2.395 119 HA GLN 12 HA GLN 12 2.954 -12.735 1.488 120 1HB GLN 12 1HB GLN 12 0.875 -11.169 1.804 121 2HB GLN 12 2HB GLN 12 1.202 -10.631 0.184 122 1HG GLN 12 1HG GLN 12 1.089 -13.516 0.136 123 2HG GLN 12 2HG GLN 12 -0.303 -12.910 1.051 124 1HE2 GLN 12 1HE2 GLN 12 1.107 -13.190 -2.129 125 2HE2 GLN 12 2HE2 GLN 12 -0.033 -12.129 -2.969 126 H LEU 13 H LEU 13 4.021 -9.789 0.082 127 HA LEU 13 HA LEU 13 4.994 -11.250 -2.346 128 1HB LEU 13 1HB LEU 13 3.751 -9.113 -2.627 129 2HB LEU 13 2HB LEU 13 5.030 -8.284 -1.761 130 HG LEU 13 HG LEU 13 6.638 -8.802 -3.574 131 1HD1 LEU 13 1HD1 LEU 13 5.911 -11.005 -4.327 132 2HD1 LEU 13 2HD1 LEU 13 4.352 -10.345 -4.866 133 3HD1 LEU 13 3HD1 LEU 13 5.866 -9.891 -5.685 134 1HD2 LEU 13 1HD2 LEU 13 5.600 -7.547 -5.387 135 2HD2 LEU 13 2HD2 LEU 13 3.988 -7.784 -4.667 136 3HD2 LEU 13 3HD2 LEU 13 5.207 -6.806 -3.822 137 H GLY 14 H GLY 14 5.988 -10.507 0.741 138 1HA GLY 14 1HA GLY 14 7.872 -10.904 1.887 139 2HA GLY 14 2HA GLY 14 8.428 -11.837 0.503 140 H LEU 15 H LEU 15 7.708 -8.283 0.484 141 HA LEU 15 HA LEU 15 10.573 -7.723 0.309 142 1HB LEU 15 1HB LEU 15 10.358 -6.807 -1.663 143 2HB LEU 15 2HB LEU 15 9.063 -7.956 -1.866 144 HG LEU 15 HG LEU 15 8.621 -5.105 -0.885 145 1HD1 LEU 15 1HD1 LEU 15 8.475 -6.216 -3.739 146 2HD1 LEU 15 2HD1 LEU 15 7.974 -4.587 -3.265 147 3HD1 LEU 15 3HD1 LEU 15 9.674 -5.050 -3.171 148 1HD2 LEU 15 1HD2 LEU 15 6.342 -5.437 -1.652 149 2HD2 LEU 15 2HD2 LEU 15 6.789 -7.067 -2.190 150 3HD2 LEU 15 3HD2 LEU 15 6.804 -6.680 -0.473 151 H ASN 16 H ASN 16 11.099 -5.457 0.493 152 HA ASN 16 HA ASN 16 10.184 -4.547 3.096 153 1HB ASN 16 1HB ASN 16 12.124 -3.164 1.187 154 2HB ASN 16 2HB ASN 16 11.961 -2.875 2.903 155 1HD2 ASN 16 1HD2 ASN 16 13.291 -4.038 4.304 156 2HD2 ASN 16 2HD2 ASN 16 14.405 -5.235 3.613 157 H GLN 17 H GLN 17 9.799 -2.104 3.491 158 HA GLN 17 HA GLN 17 7.644 -1.038 1.989 159 1HB GLN 17 1HB GLN 17 9.614 0.345 3.781 160 2HB GLN 17 2HB GLN 17 8.135 1.051 3.135 161 1HG GLN 17 1HG GLN 17 6.935 0.097 4.731 162 2HG GLN 17 2HG GLN 17 7.397 -1.493 4.227 163 1HE2 GLN 17 1HE2 GLN 17 7.615 0.572 6.893 164 2HE2 GLN 17 2HE2 GLN 17 9.087 -0.012 7.582 165 H ALA 18 H ALA 18 11.160 -0.233 1.982 166 HA ALA 18 HA ALA 18 11.143 1.809 0.093 167 1HB ALA 18 1HB ALA 18 13.533 1.406 -0.056 168 2HB ALA 18 2HB ALA 18 13.063 1.115 1.619 169 3HB ALA 18 3HB ALA 18 13.351 -0.258 0.561 170 H GLU 19 H GLU 19 11.571 -1.731 -0.361 171 HA GLU 19 HA GLU 19 12.035 -1.585 -3.153 172 1HB GLU 19 1HB GLU 19 11.012 -3.787 -1.276 173 2HB GLU 19 2HB GLU 19 11.637 -4.099 -2.870 174 1HG GLU 19 1HG GLU 19 13.406 -2.666 -0.821 175 2HG GLU 19 2HG GLU 19 13.067 -4.338 -0.628 176 H LEU 20 H LEU 20 9.061 -2.167 -1.271 177 HA LEU 20 HA LEU 20 7.365 -2.488 -3.594 178 1HB LEU 20 1HB LEU 20 6.570 -2.926 -1.241 179 2HB LEU 20 2HB LEU 20 6.675 -1.197 -0.916 180 HG LEU 20 HG LEU 20 5.051 -0.884 -2.931 181 1HD1 LEU 20 1HD1 LEU 20 3.607 -2.782 -3.463 182 2HD1 LEU 20 2HD1 LEU 20 5.293 -3.243 -3.800 183 3HD1 LEU 20 3HD1 LEU 20 4.495 -3.824 -2.331 184 1HD2 LEU 20 1HD2 LEU 20 4.416 -0.653 -0.519 185 2HD2 LEU 20 2HD2 LEU 20 3.094 -1.187 -1.574 186 3HD2 LEU 20 3HD2 LEU 20 3.931 -2.351 -0.536 187 H ALA 21 H ALA 21 8.249 0.357 -1.640 188 HA ALA 21 HA ALA 21 6.777 2.257 -2.946 189 1HB ALA 21 1HB ALA 21 8.009 2.554 -0.772 190 2HB ALA 21 2HB ALA 21 9.515 2.740 -1.680 191 3HB ALA 21 3HB ALA 21 8.195 3.899 -1.882 192 H GLN 22 H GLN 22 10.169 1.289 -3.739 193 HA GLN 22 HA GLN 22 10.564 3.299 -5.707 194 1HB GLN 22 1HB GLN 22 12.022 1.117 -4.627 195 2HB GLN 22 2HB GLN 22 11.961 0.780 -6.337 196 1HG GLN 22 1HG GLN 22 12.787 3.530 -5.322 197 2HG GLN 22 2HG GLN 22 13.913 2.183 -5.313 198 1HE2 GLN 22 1HE2 GLN 22 15.294 3.320 -6.842 199 2HE2 GLN 22 2HE2 GLN 22 14.912 3.318 -8.542 200 H LYS 23 H LYS 23 9.066 -0.014 -6.012 201 HA LYS 23 HA LYS 23 9.030 0.113 -8.852 202 1HB LYS 23 1HB LYS 23 8.459 -2.003 -8.634 203 2HB LYS 23 2HB LYS 23 8.786 -1.831 -6.931 204 1HG LYS 23 1HG LYS 23 6.327 -1.350 -6.554 205 2HG LYS 23 2HG LYS 23 6.056 -1.676 -8.281 206 1HD LYS 23 1HD LYS 23 7.034 -3.908 -8.015 207 2HD LYS 23 2HD LYS 23 7.326 -3.575 -6.284 208 1HE LYS 23 1HE LYS 23 4.976 -3.393 -5.823 209 2HE LYS 23 2HE LYS 23 4.570 -3.383 -7.532 210 1HZ LYS 23 1HZ LYS 23 5.178 -5.601 -7.783 211 2HZ LYS 23 2HZ LYS 23 5.989 -5.711 -6.367 212 3HZ LYS 23 3HZ LYS 23 4.308 -5.635 -6.434 213 H VAL 24 H VAL 24 6.712 1.170 -6.239 214 HA VAL 24 HA VAL 24 4.634 1.601 -8.209 215 HB VAL 24 HB VAL 24 4.888 2.759 -5.444 216 1HG1 VAL 24 1HG1 VAL 24 2.963 3.437 -6.979 217 2HG1 VAL 24 2HG1 VAL 24 2.513 1.727 -7.075 218 3HG1 VAL 24 3HG1 VAL 24 2.417 2.606 -5.517 219 1HG2 VAL 24 1HG2 VAL 24 3.398 0.694 -4.752 220 2HG2 VAL 24 2HG2 VAL 24 4.272 -0.104 -6.079 221 3HG2 VAL 24 3HG2 VAL 24 5.133 0.632 -4.715 222 H GLY 25 H GLY 25 7.410 3.397 -6.903 223 1HA GLY 25 1HA GLY 25 8.359 5.287 -7.943 224 2HA GLY 25 2HA GLY 25 6.789 5.699 -8.647 225 H VAL 26 H VAL 26 6.683 4.743 -5.284 226 HA VAL 26 HA VAL 26 6.184 7.529 -4.507 227 HB VAL 26 HB VAL 26 4.704 6.631 -2.923 228 1HG1 VAL 26 1HG1 VAL 26 2.975 5.573 -4.300 229 2HG1 VAL 26 2HG1 VAL 26 3.768 6.899 -5.173 230 3HG1 VAL 26 3HG1 VAL 26 4.154 5.209 -5.559 231 1HG2 VAL 26 1HG2 VAL 26 5.496 3.832 -3.703 232 2HG2 VAL 26 2HG2 VAL 26 5.752 4.617 -2.138 233 3HG2 VAL 26 3HG2 VAL 26 4.110 4.251 -2.673 234 H ASP 27 H ASP 27 6.582 7.744 -1.961 235 HA ASP 27 HA ASP 27 9.365 7.253 -1.514 236 1HB ASP 27 1HB ASP 27 8.352 8.277 0.803 237 2HB ASP 27 2HB ASP 27 8.932 9.237 -0.534 238 H GLN 28 H GLN 28 10.206 6.106 0.307 239 HA GLN 28 HA GLN 28 8.874 3.729 1.177 240 1HB GLN 28 1HB GLN 28 11.377 4.524 1.273 241 2HB GLN 28 2HB GLN 28 10.973 5.131 2.866 242 1HG GLN 28 1HG GLN 28 10.156 2.327 2.167 243 2HG GLN 28 2HG GLN 28 11.876 2.676 2.335 244 1HE2 GLN 28 1HE2 GLN 28 8.921 3.581 4.359 245 2HE2 GLN 28 2HE2 GLN 28 9.811 3.106 5.798 246 H GLN 29 H GLN 29 9.093 7.027 2.486 247 HA GLN 29 HA GLN 29 7.627 6.752 4.850 248 1HB GLN 29 1HB GLN 29 8.889 8.787 3.989 249 2HB GLN 29 2HB GLN 29 7.542 9.083 2.893 250 1HG GLN 29 1HG GLN 29 7.326 10.480 4.863 251 2HG GLN 29 2HG GLN 29 6.019 9.303 4.848 252 1HE2 GLN 29 1HE2 GLN 29 9.163 10.126 6.313 253 2HE2 GLN 29 2HE2 GLN 29 8.934 9.173 7.775 254 H ALA 30 H ALA 30 6.409 7.166 1.454 255 HA ALA 30 HA ALA 30 3.745 7.454 2.270 256 1HB ALA 30 1HB ALA 30 4.820 6.370 -0.366 257 2HB ALA 30 2HB ALA 30 3.151 6.838 -0.051 258 3HB ALA 30 3HB ALA 30 4.411 8.067 0.008 259 H ILE 31 H ILE 31 5.658 4.497 1.859 260 HA ILE 31 HA ILE 31 3.317 2.763 2.123 261 HB ILE 31 HB ILE 31 6.299 2.184 2.431 262 1HG1 ILE 31 1HG1 ILE 31 6.084 2.948 0.249 263 2HG1 ILE 31 2HG1 ILE 31 6.106 1.199 0.153 264 1HG2 ILE 31 1HG2 ILE 31 3.928 0.290 2.083 265 2HG2 ILE 31 2HG2 ILE 31 5.638 -0.185 1.993 266 3HG2 ILE 31 3HG2 ILE 31 4.968 0.434 3.502 267 1HD1 ILE 31 1HD1 ILE 31 3.763 3.088 -0.277 268 2HD1 ILE 31 2HD1 ILE 31 4.464 1.916 -1.406 269 3HD1 ILE 31 3HD1 ILE 31 3.524 1.352 -0.004 270 H GLU 32 H GLU 32 5.890 4.000 4.321 271 HA GLU 32 HA GLU 32 5.054 2.395 6.580 272 1HB GLU 32 1HB GLU 32 7.305 3.483 6.358 273 2HB GLU 32 2HB GLU 32 6.538 5.063 6.430 274 1HG GLU 32 1HG GLU 32 7.397 4.722 8.583 275 2HG GLU 32 2HG GLU 32 5.682 4.445 8.762 276 H GLN 33 H GLN 33 4.268 5.730 5.549 277 HA GLN 33 HA GLN 33 2.561 6.228 7.746 278 1HB GLN 33 1HB GLN 33 2.026 8.214 6.772 279 2HB GLN 33 2HB GLN 33 3.583 7.892 6.042 280 1HG GLN 33 1HG GLN 33 2.411 6.989 4.037 281 2HG GLN 33 2HG GLN 33 0.852 7.407 4.760 282 1HE2 GLN 33 1HE2 GLN 33 1.905 8.477 2.208 283 2HE2 GLN 33 2HE2 GLN 33 2.079 10.196 2.456 284 H LEU 34 H LEU 34 1.942 4.622 4.582 285 HA LEU 34 HA LEU 34 -0.901 4.626 4.798 286 1HB LEU 34 1HB LEU 34 1.240 3.364 3.156 287 2HB LEU 34 2HB LEU 34 -0.120 2.330 3.366 288 HG LEU 34 HG LEU 34 -0.344 5.215 2.480 289 1HD1 LEU 34 1HD1 LEU 34 -0.202 2.612 0.858 290 2HD1 LEU 34 2HD1 LEU 34 -0.666 4.170 0.163 291 3HD1 LEU 34 3HD1 LEU 34 0.966 3.945 0.820 292 1HD2 LEU 34 1HD2 LEU 34 -2.402 3.043 1.937 293 2HD2 LEU 34 2HD2 LEU 34 -2.472 4.059 3.382 294 3HD2 LEU 34 3HD2 LEU 34 -2.570 4.790 1.780 295 H GLU 35 H GLU 35 1.704 2.415 5.738 296 HA GLU 35 HA GLU 35 0.011 0.321 6.711 297 1HB GLU 35 1HB GLU 35 2.966 0.843 6.972 298 2HB GLU 35 2HB GLU 35 2.146 -0.535 7.743 299 1HG GLU 35 1HG GLU 35 1.183 -1.223 5.576 300 2HG GLU 35 2HG GLU 35 1.988 0.109 4.760 301 H ASN 36 H ASN 36 1.206 3.262 8.379 302 HA ASN 36 HA ASN 36 -0.201 2.338 10.775 303 1HB ASN 36 1HB ASN 36 0.701 4.086 11.859 304 2HB ASN 36 2HB ASN 36 1.973 3.618 10.767 305 1HD2 ASN 36 1HD2 ASN 36 3.094 5.412 10.297 306 2HD2 ASN 36 2HD2 ASN 36 2.416 6.927 9.731 307 H GLY 37 H GLY 37 -1.224 3.691 7.853 308 1HA GLY 37 1HA GLY 37 -3.409 4.148 7.283 309 2HA GLY 37 2HA GLY 37 -3.853 4.328 8.978 310 H LYS 38 H LYS 38 -1.063 6.197 8.045 311 HA LYS 38 HA LYS 38 -2.464 8.658 8.555 312 1HB LYS 38 1HB LYS 38 0.303 7.765 8.254 313 2HB LYS 38 2HB LYS 38 0.049 9.227 7.337 314 1HG LYS 38 1HG LYS 38 -0.622 8.910 10.292 315 2HG LYS 38 2HG LYS 38 0.871 9.577 9.647 316 1HD LYS 38 1HD LYS 38 -0.147 11.577 9.851 317 2HD LYS 38 2HD LYS 38 -0.871 11.172 8.310 318 1HE LYS 38 1HE LYS 38 -2.624 11.972 9.689 319 2HE LYS 38 2HE LYS 38 -2.870 10.232 9.590 320 1HZ LYS 38 1HZ LYS 38 -3.090 11.155 11.861 321 2HZ LYS 38 2HZ LYS 38 -1.903 10.019 11.794 322 3HZ LYS 38 3HZ LYS 38 -1.545 11.634 11.835 323 H ALA 39 H ALA 39 -1.745 6.873 5.512 324 HA ALA 39 HA ALA 39 -3.223 9.071 4.152 325 1HB ALA 39 1HB ALA 39 -1.578 6.750 3.107 326 2HB ALA 39 2HB ALA 39 -2.529 7.858 2.105 327 3HB ALA 39 3HB ALA 39 -1.113 8.461 3.011 328 H LYS 40 H LYS 40 -5.316 8.526 3.722 329 HA LYS 40 HA LYS 40 -6.228 5.721 4.085 330 1HB LYS 40 1HB LYS 40 -7.419 7.647 5.213 331 2HB LYS 40 2HB LYS 40 -7.934 8.229 3.641 332 1HG LYS 40 1HG LYS 40 -8.519 5.414 4.640 333 2HG LYS 40 2HG LYS 40 -9.530 6.789 5.058 334 1HD LYS 40 1HD LYS 40 -10.148 7.182 2.749 335 2HD LYS 40 2HD LYS 40 -8.987 5.990 2.171 336 1HE LYS 40 1HE LYS 40 -11.162 4.971 2.128 337 2HE LYS 40 2HE LYS 40 -10.193 4.189 3.391 338 1HZ LYS 40 1HZ LYS 40 -12.417 4.649 4.097 339 2HZ LYS 40 2HZ LYS 40 -11.369 5.507 5.016 340 3HZ LYS 40 3HZ LYS 40 -12.259 6.251 3.818 341 H ARG 41 H ARG 41 -6.981 8.376 1.689 342 HA ARG 41 HA ARG 41 -6.408 6.373 -0.447 343 1HB ARG 41 1HB ARG 41 -8.716 6.743 -0.450 344 2HB ARG 41 2HB ARG 41 -8.561 8.458 -0.167 345 1HG ARG 41 1HG ARG 41 -7.333 7.564 -2.728 346 2HG ARG 41 2HG ARG 41 -9.049 7.243 -2.596 347 1HD ARG 41 1HD ARG 41 -8.688 9.946 -1.706 348 2HD ARG 41 2HD ARG 41 -7.682 9.742 -3.138 349 HE ARG 41 HE ARG 41 -10.347 8.628 -3.443 350 1HH1 ARG 41 2HH2 ARG 41 -8.604 11.746 -3.546 351 2HH1 ARG 41 1HH2 ARG 41 -9.799 12.497 -4.555 352 1HH2 ARG 41 2HH1 ARG 41 -11.691 9.550 -5.041 353 2HH2 ARG 41 1HH1 ARG 41 -11.425 11.167 -5.596 354 HA PRO 42 HA PRO 42 -3.282 9.723 -0.723 355 1HB PRO 42 1HB PRO 42 -1.203 8.175 -1.658 356 2HB PRO 42 2HB PRO 42 -1.621 8.315 0.068 357 1HG PRO 42 1HG PRO 42 -2.385 6.132 -1.882 358 2HG PRO 42 2HG PRO 42 -1.794 5.980 -0.195 359 1HD PRO 42 1HD PRO 42 -4.431 5.810 -0.859 360 2HD PRO 42 2HD PRO 42 -3.908 6.506 0.690 361 H ARG 43 H ARG 43 -1.962 10.467 -2.625 362 HA ARG 43 HA ARG 43 -3.634 10.839 -4.820 363 1HB ARG 43 1HB ARG 43 -1.892 12.049 -5.841 364 2HB ARG 43 2HB ARG 43 -1.705 12.270 -4.104 365 1HG ARG 43 1HG ARG 43 0.142 10.517 -4.179 366 2HG ARG 43 2HG ARG 43 -0.060 10.472 -5.937 367 1HD ARG 43 1HD ARG 43 1.690 11.965 -5.745 368 2HD ARG 43 2HD ARG 43 0.307 13.041 -5.865 369 HE ARG 43 HE ARG 43 0.585 13.718 -3.702 370 1HH1 ARG 43 2HH2 ARG 43 2.776 10.893 -4.286 371 2HH1 ARG 43 1HH2 ARG 43 3.568 11.096 -2.747 372 1HH2 ARG 43 2HH1 ARG 43 1.927 14.040 -1.835 373 2HH2 ARG 43 1HH1 ARG 43 3.157 12.870 -1.409 374 H PHE 44 H PHE 44 -1.142 8.431 -4.417 375 HA PHE 44 HA PHE 44 -1.205 7.528 -7.196 376 1HB PHE 44 1HB PHE 44 0.732 6.169 -6.380 377 2HB PHE 44 2HB PHE 44 0.915 7.891 -6.116 378 HD1 PHE 44 1HD PHE 44 1.610 8.639 -3.955 379 HD2 PHE 44 2HD PHE 44 -0.313 4.803 -4.339 380 HE1 PHE 44 1HE PHE 44 1.924 8.221 -1.542 381 HE2 PHE 44 2HE PHE 44 -0.029 4.407 -1.948 382 HZ PHE 44 HZ PHE 44 1.083 6.084 -0.512 383 H LEU 45 H LEU 45 -3.385 6.814 -4.749 384 HA LEU 45 HA LEU 45 -3.086 4.252 -3.959 385 1HB LEU 45 1HB LEU 45 -4.740 5.806 -3.085 386 2HB LEU 45 2HB LEU 45 -5.566 5.880 -4.635 387 HG LEU 45 HG LEU 45 -6.126 3.459 -4.411 388 1HD1 LEU 45 1HD1 LEU 45 -5.146 3.787 -1.536 389 2HD1 LEU 45 2HD1 LEU 45 -5.987 2.388 -2.211 390 3HD1 LEU 45 3HD1 LEU 45 -4.364 2.785 -2.782 391 1HD2 LEU 45 1HD2 LEU 45 -7.714 5.268 -3.840 392 2HD2 LEU 45 2HD2 LEU 45 -7.957 3.855 -2.810 393 3HD2 LEU 45 3HD2 LEU 45 -7.108 5.246 -2.162 394 HA PRO 46 HA PRO 46 -5.315 2.253 -7.637 395 1HB PRO 46 1HB PRO 46 -4.991 3.515 -10.126 396 2HB PRO 46 2HB PRO 46 -6.481 3.453 -9.137 397 1HG PRO 46 1HG PRO 46 -4.438 5.632 -9.346 398 2HG PRO 46 2HG PRO 46 -6.224 5.763 -9.173 399 1HD PRO 46 1HD PRO 46 -4.523 6.172 -7.104 400 2HD PRO 46 2HD PRO 46 -6.112 5.403 -6.859 401 H GLU 47 H GLU 47 -2.308 4.121 -8.222 402 HA GLU 47 HA GLU 47 -1.110 2.074 -9.866 403 1HB GLU 47 1HB GLU 47 -0.097 4.601 -8.521 404 2HB GLU 47 2HB GLU 47 0.978 3.430 -9.278 405 1HG GLU 47 1HG GLU 47 -0.286 3.638 -11.416 406 2HG GLU 47 2HG GLU 47 -1.332 4.854 -10.665 407 H LEU 48 H LEU 48 -0.947 3.022 -6.381 408 HA LEU 48 HA LEU 48 0.973 0.947 -5.683 409 1HB LEU 48 1HB LEU 48 0.388 2.805 -4.211 410 2HB LEU 48 2HB LEU 48 -1.211 2.135 -3.926 411 HG LEU 48 HG LEU 48 1.133 0.266 -3.513 412 1HD1 LEU 48 1HD1 LEU 48 1.762 1.086 -1.371 413 2HD1 LEU 48 2HD1 LEU 48 2.013 2.380 -2.556 414 3HD1 LEU 48 3HD1 LEU 48 0.611 2.418 -1.457 415 1HD2 LEU 48 1HD2 LEU 48 -0.140 -0.390 -1.484 416 2HD2 LEU 48 2HD2 LEU 48 -1.335 0.879 -1.823 417 3HD2 LEU 48 3HD2 LEU 48 -1.135 -0.497 -2.935 418 H ALA 49 H ALA 49 -2.565 1.005 -5.886 419 HA ALA 49 HA ALA 49 -2.752 -1.711 -4.923 420 1HB ALA 49 1HB ALA 49 -5.072 -1.702 -5.732 421 2HB ALA 49 2HB ALA 49 -4.725 -0.100 -5.059 422 3HB ALA 49 3HB ALA 49 -4.740 -0.332 -6.811 423 H ARG 50 H ARG 50 -2.708 -0.608 -8.376 424 HA ARG 50 HA ARG 50 -2.635 -3.362 -9.259 425 1HB ARG 50 1HB ARG 50 -1.546 -2.399 -11.418 426 2HB ARG 50 2HB ARG 50 -3.252 -2.186 -11.072 427 1HG ARG 50 1HG ARG 50 -3.033 0.039 -10.549 428 2HG ARG 50 2HG ARG 50 -1.275 -0.030 -10.343 429 1HD ARG 50 1HD ARG 50 -2.539 -0.589 -13.042 430 2HD ARG 50 2HD ARG 50 -2.400 1.078 -12.455 431 HE ARG 50 HE ARG 50 0.038 -0.488 -12.238 432 1HH1 ARG 50 2HH2 ARG 50 -1.739 1.358 -14.658 433 2HH1 ARG 50 1HH2 ARG 50 -0.355 2.253 -15.219 434 1HH2 ARG 50 2HH1 ARG 50 1.894 0.556 -13.059 435 2HH2 ARG 50 1HH1 ARG 50 1.801 1.551 -14.469 436 H ALA 51 H ALA 51 0.039 -1.091 -8.398 437 HA ALA 51 HA ALA 51 2.079 -2.859 -9.227 438 1HB ALA 51 1HB ALA 51 2.195 -0.817 -6.966 439 2HB ALA 51 2HB ALA 51 3.582 -1.573 -7.772 440 3HB ALA 51 3HB ALA 51 2.538 -0.488 -8.683 441 H LEU 52 H LEU 52 0.294 -2.622 -6.081 442 HA LEU 52 HA LEU 52 1.843 -4.592 -4.703 443 1HB LEU 52 1HB LEU 52 0.285 -2.905 -3.755 444 2HB LEU 52 2HB LEU 52 -1.081 -3.844 -4.301 445 HG LEU 52 HG LEU 52 -0.487 -5.582 -2.718 446 1HD1 LEU 52 1HD1 LEU 52 1.982 -5.635 -2.791 447 2HD1 LEU 52 2HD1 LEU 52 2.047 -3.989 -2.100 448 3HD1 LEU 52 3HD1 LEU 52 1.467 -5.341 -1.133 449 1HD2 LEU 52 1HD2 LEU 52 -0.677 -4.228 -0.621 450 2HD2 LEU 52 2HD2 LEU 52 -0.082 -2.816 -1.486 451 3HD2 LEU 52 3HD2 LEU 52 -1.655 -3.526 -1.920 452 H GLY 53 H GLY 53 -1.106 -4.629 -6.644 453 1HA GLY 53 1HA GLY 53 -1.515 -6.259 -8.316 454 2HA GLY 53 2HA GLY 53 -0.776 -7.509 -7.300 455 H VAL 54 H VAL 54 -3.242 -4.917 -6.598 456 HA VAL 54 HA VAL 54 -5.332 -6.918 -6.225 457 HB VAL 54 HB VAL 54 -5.915 -6.208 -3.992 458 1HG1 VAL 54 1HG1 VAL 54 -4.137 -7.089 -2.639 459 2HG1 VAL 54 2HG1 VAL 54 -4.169 -8.002 -4.138 460 3HG1 VAL 54 3HG1 VAL 54 -2.925 -6.746 -3.888 461 1HG2 VAL 54 1HG2 VAL 54 -5.418 -3.955 -3.810 462 2HG2 VAL 54 2HG2 VAL 54 -4.234 -4.685 -2.723 463 3HG2 VAL 54 3HG2 VAL 54 -3.727 -4.150 -4.326 464 H ALA 55 H ALA 55 -7.459 -5.636 -5.791 465 HA ALA 55 HA ALA 55 -7.657 -3.384 -7.649 466 1HB ALA 55 1HB ALA 55 -9.430 -5.118 -7.399 467 2HB ALA 55 2HB ALA 55 -9.697 -4.607 -5.723 468 3HB ALA 55 3HB ALA 55 -10.051 -3.492 -7.063 469 H VAL 56 H VAL 56 -8.339 -1.161 -7.047 470 HA VAL 56 HA VAL 56 -7.624 -0.110 -4.469 471 HB VAL 56 HB VAL 56 -9.553 0.856 -6.645 472 1HG1 VAL 56 1HG1 VAL 56 -9.072 3.122 -5.550 473 2HG1 VAL 56 2HG1 VAL 56 -10.078 2.015 -4.598 474 3HG1 VAL 56 3HG1 VAL 56 -8.356 2.201 -4.202 475 1HG2 VAL 56 1HG2 VAL 56 -7.694 2.372 -7.285 476 2HG2 VAL 56 2HG2 VAL 56 -6.656 1.624 -6.050 477 3HG2 VAL 56 3HG2 VAL 56 -7.201 0.688 -7.458 478 H ASP 57 H ASP 57 -10.653 -1.552 -5.815 479 HA ASP 57 HA ASP 57 -12.330 -1.008 -3.639 480 1HB ASP 57 1HB ASP 57 -12.890 -2.108 -5.880 481 2HB ASP 57 2HB ASP 57 -12.259 -3.610 -5.193 482 H TRP 58 H TRP 58 -9.891 -3.562 -3.960 483 HA TRP 58 HA TRP 58 -10.539 -4.919 -1.488 484 1HB TRP 58 1HB TRP 58 -9.352 -5.900 -3.468 485 2HB TRP 58 2HB TRP 58 -7.994 -4.845 -3.104 486 HD1 TRP 58 HD TRP 58 -9.667 -7.976 -2.030 487 HE1 TRP 58 1HE TRP 58 -8.096 -9.385 -0.564 488 HE3 TRP 58 3HE TRP 58 -6.024 -4.529 -1.374 489 HZ2 TRP 58 2HZ TRP 58 -5.510 -9.009 0.726 490 HZ3 TRP 58 3HZ TRP 58 -3.924 -5.107 -0.132 491 HH2 TRP 58 HH TRP 58 -3.708 -7.346 0.941 492 H LEU 59 H LEU 59 -8.201 -2.393 -2.504 493 HA LEU 59 HA LEU 59 -7.118 -2.076 0.114 494 1HB LEU 59 1HB LEU 59 -7.015 -0.540 -2.502 495 2HB LEU 59 2HB LEU 59 -6.645 0.309 -1.064 496 HG LEU 59 HG LEU 59 -5.176 -2.036 -2.292 497 1HD1 LEU 59 1HD1 LEU 59 -3.320 -0.501 -2.232 498 2HD1 LEU 59 2HD1 LEU 59 -4.718 0.358 -2.899 499 3HD1 LEU 59 3HD1 LEU 59 -4.230 0.651 -1.220 500 1HD2 LEU 59 1HD2 LEU 59 -3.564 -1.997 -0.368 501 2HD2 LEU 59 2HD2 LEU 59 -4.736 -1.031 0.556 502 3HD2 LEU 59 3HD2 LEU 59 -5.111 -2.704 0.044 503 H LEU 60 H LEU 60 -9.891 -0.570 -1.358 504 HA LEU 60 HA LEU 60 -10.348 1.329 0.836 505 1HB LEU 60 1HB LEU 60 -12.125 0.085 -1.296 506 2HB LEU 60 2HB LEU 60 -12.750 1.178 -0.071 507 HG LEU 60 HG LEU 60 -10.450 1.963 -1.906 508 1HD1 LEU 60 1HD1 LEU 60 -12.048 3.046 -3.368 509 2HD1 LEU 60 2HD1 LEU 60 -12.370 1.314 -3.282 510 3HD1 LEU 60 3HD1 LEU 60 -13.400 2.444 -2.381 511 1HD2 LEU 60 1HD2 LEU 60 -11.166 4.264 -1.373 512 2HD2 LEU 60 2HD2 LEU 60 -12.444 3.634 -0.311 513 3HD2 LEU 60 3HD2 LEU 60 -10.731 3.391 0.098 514 H ASN 61 H ASN 61 -11.821 -1.784 -0.104 515 HA ASN 61 HA ASN 61 -12.993 -2.014 2.565 516 1HB ASN 61 1HB ASN 61 -13.551 -3.688 0.072 517 2HB ASN 61 2HB ASN 61 -14.535 -3.508 1.528 518 1HD2 ASN 61 1HD2 ASN 61 -13.980 -2.160 -1.658 519 2HD2 ASN 61 2HD2 ASN 61 -14.972 -0.746 -1.414 520 H GLY 62 H GLY 62 -11.576 -4.413 0.254 521 1HA GLY 62 1HA GLY 62 -9.922 -5.972 0.655 522 2HA GLY 62 2HA GLY 62 -9.834 -5.453 2.333 523 H ALA 63 H ALA 63 -11.767 -7.300 0.062 524 HA ALA 63 HA ALA 63 -12.800 -9.365 0.275 525 1HB ALA 63 1HB ALA 63 -10.078 -9.856 1.533 526 2HB ALA 63 2HB ALA 63 -11.095 -11.049 0.701 527 3HB ALA 63 3HB ALA 63 -10.415 -9.708 -0.213 Start of MODEL 11 1 1H MET 0 H MET 0 -9.445 -7.129 9.390 2 HA MET 0 HA MET 0 -6.721 -6.313 8.649 3 1HB MET 0 1HB MET 0 -7.261 -6.918 6.294 4 2HB MET 0 2HB MET 0 -7.117 -8.259 7.415 5 1HG MET 0 1HG MET 0 -9.694 -8.144 7.625 6 2HG MET 0 2HG MET 0 -9.643 -7.060 6.237 7 1HE MET 0 1HE MET 0 -11.540 -8.813 5.300 8 2HE MET 0 2HE MET 0 -11.221 -10.552 5.091 9 3HE MET 0 3HE MET 0 -11.299 -9.855 6.723 10 H LEU 1 H LEU 1 -6.527 -4.471 7.938 11 HA LEU 1 HA LEU 1 -8.740 -2.545 7.421 12 1HB LEU 1 1HB LEU 1 -6.209 -1.923 8.981 13 2HB LEU 1 2HB LEU 1 -7.596 -0.884 8.759 14 HG LEU 1 HG LEU 1 -7.576 -3.436 10.428 15 1HD1 LEU 1 1HD1 LEU 1 -6.330 -1.610 11.449 16 2HD1 LEU 1 2HD1 LEU 1 -7.712 -0.511 11.235 17 3HD1 LEU 1 3HD1 LEU 1 -7.852 -1.913 12.313 18 1HD2 LEU 1 1HD2 LEU 1 -9.777 -1.419 9.822 19 2HD2 LEU 1 2HD2 LEU 1 -9.796 -3.149 9.491 20 3HD2 LEU 1 3HD2 LEU 1 -9.826 -2.592 11.161 21 H MET 2 H MET 2 -7.262 -0.390 6.619 22 HA MET 2 HA MET 2 -6.060 -1.316 4.160 23 1HB MET 2 1HB MET 2 -6.628 1.315 5.391 24 2HB MET 2 2HB MET 2 -5.177 1.282 4.374 25 1HG MET 2 1HG MET 2 -6.477 0.170 2.603 26 2HG MET 2 2HG MET 2 -7.926 0.184 3.608 27 1HE MET 2 1HE MET 2 -6.104 3.494 1.045 28 2HE MET 2 2HE MET 2 -5.155 2.882 2.417 29 3HE MET 2 3HE MET 2 -5.674 1.774 1.117 30 H GLY 3 H GLY 3 -4.574 0.184 7.045 31 1HA GLY 3 1HA GLY 3 -1.927 0.043 6.009 32 2HA GLY 3 2HA GLY 3 -2.352 0.163 7.731 33 H GLU 4 H GLU 4 -3.829 -2.196 7.997 34 HA GLU 4 HA GLU 4 -1.860 -4.249 8.278 35 1HB GLU 4 1HB GLU 4 -4.902 -4.090 8.378 36 2HB GLU 4 2HB GLU 4 -4.120 -5.654 8.533 37 1HG GLU 4 1HG GLU 4 -3.488 -3.280 10.335 38 2HG GLU 4 2HG GLU 4 -4.706 -4.505 10.701 39 H ARG 5 H ARG 5 -4.497 -3.894 5.814 40 HA ARG 5 HA ARG 5 -3.915 -6.141 4.258 41 1HB ARG 5 1HB ARG 5 -5.110 -3.408 3.752 42 2HB ARG 5 2HB ARG 5 -4.454 -4.217 2.351 43 1HG ARG 5 1HG ARG 5 -5.756 -6.252 2.864 44 2HG ARG 5 2HG ARG 5 -6.489 -5.402 4.230 45 1HD ARG 5 1HD ARG 5 -6.603 -4.471 1.334 46 2HD ARG 5 2HD ARG 5 -7.856 -5.432 2.077 47 HE ARG 5 HE ARG 5 -7.659 -2.675 2.120 48 1HH1 ARG 5 2HH2 ARG 5 -8.466 -5.215 4.489 49 2HH1 ARG 5 1HH2 ARG 5 -9.496 -4.115 5.405 50 1HH2 ARG 5 2HH1 ARG 5 -9.145 -1.413 3.224 51 2HH2 ARG 5 1HH1 ARG 5 -9.926 -2.078 4.638 52 H ILE 6 H ILE 6 -2.503 -2.867 4.048 53 HA ILE 6 HA ILE 6 -0.809 -3.459 1.843 54 HB ILE 6 HB ILE 6 -0.758 -1.294 3.968 55 1HG1 ILE 6 1HG1 ILE 6 -1.547 -1.090 1.014 56 2HG1 ILE 6 2HG1 ILE 6 -2.718 -1.605 2.204 57 1HG2 ILE 6 1HG2 ILE 6 0.835 -1.380 1.353 58 2HG2 ILE 6 2HG2 ILE 6 0.717 0.013 2.457 59 3HG2 ILE 6 3HG2 ILE 6 1.516 -1.461 2.990 60 1HD1 ILE 6 1HD1 ILE 6 -3.091 0.694 1.913 61 2HD1 ILE 6 2HD1 ILE 6 -2.291 0.540 3.488 62 3HD1 ILE 6 3HD1 ILE 6 -1.366 1.072 2.061 63 H ARG 7 H ARG 7 -0.100 -3.384 5.419 64 HA ARG 7 HA ARG 7 2.598 -4.198 5.152 65 1HB ARG 7 1HB ARG 7 1.415 -3.347 7.210 66 2HB ARG 7 2HB ARG 7 0.649 -4.909 7.415 67 1HG ARG 7 1HG ARG 7 3.677 -4.550 7.302 68 2HG ARG 7 2HG ARG 7 2.754 -4.336 8.801 69 1HD ARG 7 1HD ARG 7 1.794 -6.696 8.311 70 2HD ARG 7 2HD ARG 7 3.134 -6.868 7.186 71 HE ARG 7 HE ARG 7 3.140 -7.292 9.923 72 1HH1 ARG 7 2HH2 ARG 7 5.445 -5.199 8.202 73 2HH1 ARG 7 1HH2 ARG 7 6.800 -6.201 8.565 74 1HH2 ARG 7 2HH1 ARG 7 5.002 -8.594 10.418 75 2HH2 ARG 7 1HH1 ARG 7 6.557 -8.083 9.922 76 H ALA 8 H ALA 8 -0.360 -6.185 5.524 77 HA ALA 8 HA ALA 8 0.955 -8.678 5.629 78 1HB ALA 8 1HB ALA 8 -1.259 -9.629 5.157 79 2HB ALA 8 2HB ALA 8 -1.367 -8.327 6.343 80 3HB ALA 8 3HB ALA 8 -1.857 -8.032 4.658 81 H ARG 9 H ARG 9 -0.633 -7.056 2.830 82 HA ARG 9 HA ARG 9 -0.026 -9.060 0.933 83 1HB ARG 9 1HB ARG 9 -1.500 -6.804 0.853 84 2HB ARG 9 2HB ARG 9 -0.068 -6.153 0.123 85 1HG ARG 9 1HG ARG 9 -2.117 -8.073 -0.948 86 2HG ARG 9 2HG ARG 9 -1.348 -6.712 -1.685 87 1HD ARG 9 1HD ARG 9 0.735 -8.207 -1.898 88 2HD ARG 9 2HD ARG 9 -0.289 -9.540 -1.357 89 HE ARG 9 HE ARG 9 -0.867 -7.758 -3.677 90 1HH1 ARG 9 2HH2 ARG 9 -0.975 -11.153 -2.365 91 2HH1 ARG 9 1HH2 ARG 9 -1.744 -11.719 -3.802 92 1HH2 ARG 9 2HH1 ARG 9 -1.922 -8.782 -5.583 93 2HH2 ARG 9 1HH1 ARG 9 -2.233 -10.473 -5.486 94 H ARG 10 H ARG 10 1.890 -6.166 2.014 95 HA ARG 10 HA ARG 10 3.991 -6.561 0.151 96 1HB ARG 10 1HB ARG 10 3.547 -4.608 2.044 97 2HB ARG 10 2HB ARG 10 4.644 -5.622 2.925 98 1HG ARG 10 1HG ARG 10 6.365 -5.383 1.261 99 2HG ARG 10 2HG ARG 10 5.251 -4.742 0.060 100 1HD ARG 10 1HD ARG 10 6.799 -3.067 1.312 101 2HD ARG 10 2HD ARG 10 5.122 -2.648 1.045 102 HE ARG 10 HE ARG 10 4.717 -2.541 3.208 103 1HH1 ARG 10 2HH2 ARG 10 7.517 -4.945 3.027 104 2HH1 ARG 10 1HH2 ARG 10 7.628 -4.876 4.753 105 1HH2 ARG 10 2HH1 ARG 10 4.828 -2.905 5.312 106 2HH2 ARG 10 1HH1 ARG 10 6.057 -3.882 6.070 107 H ILE 11 H ILE 11 3.632 -7.809 3.505 108 HA ILE 11 HA ILE 11 6.052 -9.319 3.560 109 HB ILE 11 HB ILE 11 3.407 -9.366 5.039 110 1HG1 ILE 11 1HG1 ILE 11 4.910 -7.460 5.484 111 2HG1 ILE 11 2HG1 ILE 11 4.654 -8.474 6.898 112 1HG2 ILE 11 1HG2 ILE 11 5.706 -11.250 5.595 113 2HG2 ILE 11 2HG2 ILE 11 4.424 -10.862 6.757 114 3HG2 ILE 11 3HG2 ILE 11 4.008 -11.638 5.231 115 1HD1 ILE 11 1HD1 ILE 11 6.880 -9.451 6.648 116 2HD1 ILE 11 2HD1 ILE 11 7.164 -8.502 5.162 117 3HD1 ILE 11 3HD1 ILE 11 6.978 -7.689 6.708 118 H GLN 12 H GLN 12 2.803 -10.086 2.364 119 HA GLN 12 HA GLN 12 3.263 -12.773 1.647 120 1HB GLN 12 1HB GLN 12 1.097 -11.198 1.630 121 2HB GLN 12 2HB GLN 12 1.583 -10.937 -0.046 122 1HG GLN 12 1HG GLN 12 1.624 -13.582 -0.115 123 2HG GLN 12 2HG GLN 12 0.557 -13.414 1.290 124 1HE2 GLN 12 1HE2 GLN 12 -1.257 -11.531 0.888 125 2HE2 GLN 12 2HE2 GLN 12 -2.062 -11.754 -0.631 126 H LEU 13 H LEU 13 4.272 -9.792 0.071 127 HA LEU 13 HA LEU 13 5.372 -11.205 -2.297 128 1HB LEU 13 1HB LEU 13 6.071 -8.375 -1.494 129 2HB LEU 13 2HB LEU 13 6.179 -9.131 -3.059 130 HG LEU 13 HG LEU 13 3.806 -7.953 -1.652 131 1HD1 LEU 13 1HD1 LEU 13 3.580 -6.673 -3.704 132 2HD1 LEU 13 2HD1 LEU 13 5.209 -6.524 -3.013 133 3HD1 LEU 13 3HD1 LEU 13 4.933 -7.571 -4.422 134 1HD2 LEU 13 1HD2 LEU 13 3.573 -9.875 -3.996 135 2HD2 LEU 13 2HD2 LEU 13 2.795 -10.009 -2.420 136 3HD2 LEU 13 3HD2 LEU 13 2.313 -8.722 -3.525 137 H GLY 14 H GLY 14 6.264 -10.537 0.927 138 1HA GLY 14 1HA GLY 14 8.124 -10.642 2.197 139 2HA GLY 14 2HA GLY 14 8.973 -11.451 0.884 140 H LEU 15 H LEU 15 7.485 -8.218 0.455 141 HA LEU 15 HA LEU 15 10.238 -7.303 -0.316 142 1HB LEU 15 1HB LEU 15 7.355 -6.545 -0.963 143 2HB LEU 15 2HB LEU 15 8.499 -5.253 -0.888 144 HG LEU 15 HG LEU 15 8.390 -7.451 -2.875 145 1HD1 LEU 15 1HD1 LEU 15 7.281 -5.247 -3.249 146 2HD1 LEU 15 2HD1 LEU 15 8.887 -4.483 -3.228 147 3HD1 LEU 15 3HD1 LEU 15 8.490 -5.674 -4.472 148 1HD2 LEU 15 1HD2 LEU 15 10.641 -7.749 -2.452 149 2HD2 LEU 15 2HD2 LEU 15 10.638 -6.597 -3.784 150 3HD2 LEU 15 3HD2 LEU 15 10.949 -6.047 -2.128 151 H ASN 16 H ASN 16 10.808 -5.045 0.375 152 HA ASN 16 HA ASN 16 9.942 -4.442 3.185 153 1HB ASN 16 1HB ASN 16 12.058 -3.047 1.498 154 2HB ASN 16 2HB ASN 16 11.604 -2.610 3.114 155 1HD2 ASN 16 1HD2 ASN 16 14.138 -4.250 1.658 156 2HD2 ASN 16 2HD2 ASN 16 14.416 -5.345 2.995 157 H GLN 17 H GLN 17 9.379 -2.120 3.659 158 HA GLN 17 HA GLN 17 7.364 -0.963 2.013 159 1HB GLN 17 1HB GLN 17 9.204 0.215 4.122 160 2HB GLN 17 2HB GLN 17 7.947 1.170 3.367 161 1HG GLN 17 1HG GLN 17 6.233 -0.402 4.194 162 2HG GLN 17 2HG GLN 17 7.494 -1.455 4.855 163 1HE2 GLN 17 1HE2 GLN 17 5.704 -0.871 6.605 164 2HE2 GLN 17 2HE2 GLN 17 6.324 0.265 7.797 165 H ALA 18 H ALA 18 10.880 -0.243 2.243 166 HA ALA 18 HA ALA 18 10.981 1.793 0.334 167 1HB ALA 18 1HB ALA 18 12.811 1.207 1.897 168 2HB ALA 18 2HB ALA 18 13.092 -0.311 1.019 169 3HB ALA 18 3HB ALA 18 13.387 1.243 0.219 170 H GLU 19 H GLU 19 11.215 -1.724 -0.112 171 HA GLU 19 HA GLU 19 11.958 -1.561 -2.908 172 1HB GLU 19 1HB GLU 19 10.642 -3.831 -1.336 173 2HB GLU 19 2HB GLU 19 11.315 -3.955 -2.956 174 1HG GLU 19 1HG GLU 19 13.389 -2.899 -1.276 175 2HG GLU 19 2HG GLU 19 12.624 -4.215 -0.388 176 H LEU 20 H LEU 20 8.871 -2.165 -1.176 177 HA LEU 20 HA LEU 20 7.305 -2.469 -3.529 178 1HB LEU 20 1HB LEU 20 6.502 -3.071 -1.227 179 2HB LEU 20 2HB LEU 20 6.437 -1.350 -0.819 180 HG LEU 20 HG LEU 20 4.798 -1.057 -2.768 181 1HD1 LEU 20 1HD1 LEU 20 3.614 -3.055 -3.565 182 2HD1 LEU 20 2HD1 LEU 20 5.336 -3.163 -3.961 183 3HD1 LEU 20 3HD1 LEU 20 4.690 -4.098 -2.599 184 1HD2 LEU 20 1HD2 LEU 20 3.783 -2.943 -0.618 185 2HD2 LEU 20 2HD2 LEU 20 4.004 -1.182 -0.422 186 3HD2 LEU 20 3HD2 LEU 20 2.853 -1.814 -1.597 187 H ALA 21 H ALA 21 8.015 0.370 -1.499 188 HA ALA 21 HA ALA 21 6.638 2.340 -2.870 189 1HB ALA 21 1HB ALA 21 7.770 2.767 -0.754 190 2HB ALA 21 2HB ALA 21 9.351 2.518 -1.498 191 3HB ALA 21 3HB ALA 21 8.360 3.891 -1.991 192 H GLN 22 H GLN 22 10.050 1.263 -3.491 193 HA GLN 22 HA GLN 22 10.411 3.137 -5.592 194 1HB GLN 22 1HB GLN 22 12.200 1.887 -4.261 195 2HB GLN 22 2HB GLN 22 11.904 0.497 -5.323 196 1HG GLN 22 1HG GLN 22 12.410 1.973 -7.291 197 2HG GLN 22 2HG GLN 22 12.744 3.312 -6.186 198 1HE2 GLN 22 1HE2 GLN 22 14.447 1.544 -8.166 199 2HE2 GLN 22 2HE2 GLN 22 15.841 1.100 -7.196 200 H LYS 23 H LYS 23 9.189 -0.321 -5.675 201 HA LYS 23 HA LYS 23 9.045 -0.321 -8.523 202 1HB LYS 23 1HB LYS 23 8.536 -2.418 -8.188 203 2HB LYS 23 2HB LYS 23 8.736 -2.164 -6.468 204 1HG LYS 23 1HG LYS 23 6.266 -1.650 -6.319 205 2HG LYS 23 2HG LYS 23 6.136 -2.051 -8.049 206 1HD LYS 23 1HD LYS 23 7.085 -4.284 -7.533 207 2HD LYS 23 2HD LYS 23 7.069 -3.868 -5.798 208 1HE LYS 23 1HE LYS 23 4.648 -3.555 -5.820 209 2HE LYS 23 2HE LYS 23 4.593 -3.582 -7.558 210 1HZ LYS 23 1HZ LYS 23 5.058 -5.896 -7.625 211 2HZ LYS 23 2HZ LYS 23 5.454 -6.022 -6.059 212 3HZ LYS 23 3HZ LYS 23 3.885 -5.746 -6.557 213 H VAL 24 H VAL 24 6.709 0.914 -5.985 214 HA VAL 24 HA VAL 24 4.616 1.146 -7.949 215 HB VAL 24 HB VAL 24 4.921 2.596 -5.317 216 1HG1 VAL 24 1HG1 VAL 24 2.442 2.523 -5.317 217 2HG1 VAL 24 2HG1 VAL 24 3.021 3.285 -6.807 218 3HG1 VAL 24 3HG1 VAL 24 2.486 1.593 -6.840 219 1HG2 VAL 24 1HG2 VAL 24 4.667 -0.267 -5.521 220 2HG2 VAL 24 2HG2 VAL 24 4.632 0.783 -4.084 221 3HG2 VAL 24 3HG2 VAL 24 3.146 0.359 -4.911 222 H GLY 25 H GLY 25 7.243 3.216 -6.731 223 1HA GLY 25 1HA GLY 25 8.171 4.995 -8.046 224 2HA GLY 25 2HA GLY 25 6.566 5.322 -8.706 225 H VAL 26 H VAL 26 6.732 4.682 -5.266 226 HA VAL 26 HA VAL 26 6.383 7.534 -4.669 227 HB VAL 26 HB VAL 26 5.053 6.782 -2.851 228 1HG1 VAL 26 1HG1 VAL 26 4.079 5.291 -5.314 229 2HG1 VAL 26 2HG1 VAL 26 3.118 6.013 -4.020 230 3HG1 VAL 26 3HG1 VAL 26 4.011 7.057 -5.130 231 1HG2 VAL 26 1HG2 VAL 26 4.277 4.555 -2.437 232 2HG2 VAL 26 2HG2 VAL 26 5.376 3.916 -3.677 233 3HG2 VAL 26 3HG2 VAL 26 6.020 4.664 -2.200 234 H ASP 27 H ASP 27 7.070 7.812 -2.096 235 HA ASP 27 HA ASP 27 9.864 6.978 -1.862 236 1HB ASP 27 1HB ASP 27 9.136 8.248 0.468 237 2HB ASP 27 2HB ASP 27 9.906 9.018 -0.906 238 H GLN 28 H GLN 28 10.491 5.724 0.053 239 HA GLN 28 HA GLN 28 8.931 3.548 0.898 240 1HB GLN 28 1HB GLN 28 11.326 3.752 1.306 241 2HB GLN 28 2HB GLN 28 11.061 5.169 2.326 242 1HG GLN 28 1HG GLN 28 9.690 3.515 3.847 243 2HG GLN 28 2HG GLN 28 10.509 2.257 2.926 244 1HE2 GLN 28 1HE2 GLN 28 10.732 4.365 5.549 245 2HE2 GLN 28 2HE2 GLN 28 12.464 4.251 5.840 246 H GLN 29 H GLN 29 9.189 6.813 2.214 247 HA GLN 29 HA GLN 29 7.716 6.523 4.527 248 1HB GLN 29 1HB GLN 29 9.145 8.544 3.437 249 2HB GLN 29 2HB GLN 29 7.520 9.125 3.084 250 1HG GLN 29 1HG GLN 29 8.039 10.054 5.172 251 2HG GLN 29 2HG GLN 29 7.010 8.688 5.595 252 1HE2 GLN 29 1HE2 GLN 29 9.607 10.291 6.704 253 2HE2 GLN 29 2HE2 GLN 29 10.486 9.001 7.485 254 H ALA 30 H ALA 30 6.464 7.110 1.199 255 HA ALA 30 HA ALA 30 3.760 7.542 2.008 256 1HB ALA 30 1HB ALA 30 3.290 6.850 -0.363 257 2HB ALA 30 2HB ALA 30 4.403 8.186 -0.164 258 3HB ALA 30 3HB ALA 30 5.014 6.554 -0.562 259 H ILE 31 H ILE 31 5.575 4.454 1.546 260 HA ILE 31 HA ILE 31 3.078 2.911 1.847 261 HB ILE 31 HB ILE 31 5.992 2.026 2.035 262 1HG1 ILE 31 1HG1 ILE 31 5.722 2.942 -0.142 263 2HG1 ILE 31 2HG1 ILE 31 5.702 1.197 -0.285 264 1HG2 ILE 31 1HG2 ILE 31 5.109 -0.226 1.553 265 2HG2 ILE 31 2HG2 ILE 31 4.400 0.416 3.037 266 3HG2 ILE 31 3HG2 ILE 31 3.445 0.409 1.558 267 1HD1 ILE 31 1HD1 ILE 31 3.179 1.333 -0.557 268 2HD1 ILE 31 2HD1 ILE 31 3.332 3.109 -0.517 269 3HD1 ILE 31 3HD1 ILE 31 4.098 2.183 -1.812 270 H GLU 32 H GLU 32 5.844 3.967 3.869 271 HA GLU 32 HA GLU 32 5.193 2.574 6.237 272 1HB GLU 32 1HB GLU 32 7.320 3.773 5.806 273 2HB GLU 32 2HB GLU 32 6.495 5.320 5.876 274 1HG GLU 32 1HG GLU 32 6.092 3.584 8.270 275 2HG GLU 32 2HG GLU 32 7.749 4.085 7.980 276 H GLN 33 H GLN 33 4.268 5.895 5.262 277 HA GLN 33 HA GLN 33 2.703 6.392 7.526 278 1HB GLN 33 1HB GLN 33 2.047 8.379 6.472 279 2HB GLN 33 2HB GLN 33 3.605 8.012 5.760 280 1HG GLN 33 1HG GLN 33 2.429 7.001 3.820 281 2HG GLN 33 2HG GLN 33 0.876 7.462 4.515 282 1HE2 GLN 33 1HE2 GLN 33 4.050 8.983 3.627 283 2HE2 GLN 33 2HE2 GLN 33 3.332 10.462 3.013 284 H LEU 34 H LEU 34 1.895 4.719 4.442 285 HA LEU 34 HA LEU 34 -0.934 4.762 4.818 286 1HB LEU 34 1HB LEU 34 1.086 3.509 3.054 287 2HB LEU 34 2HB LEU 34 -0.248 2.443 3.353 288 HG LEU 34 HG LEU 34 -0.587 5.361 2.587 289 1HD1 LEU 34 1HD1 LEU 34 -0.832 4.564 0.255 290 2HD1 LEU 34 2HD1 LEU 34 0.688 3.909 0.883 291 3HD1 LEU 34 3HD1 LEU 34 -0.736 2.875 0.791 292 1HD2 LEU 34 1HD2 LEU 34 -2.612 3.131 2.133 293 2HD2 LEU 34 2HD2 LEU 34 -2.598 4.110 3.600 294 3HD2 LEU 34 3HD2 LEU 34 -2.840 4.886 2.043 295 H GLU 35 H GLU 35 1.657 2.490 5.654 296 HA GLU 35 HA GLU 35 -0.085 0.526 6.879 297 1HB GLU 35 1HB GLU 35 2.892 0.988 7.148 298 2HB GLU 35 2HB GLU 35 1.961 -0.326 7.907 299 1HG GLU 35 1HG GLU 35 1.225 -1.167 5.756 300 2HG GLU 35 2HG GLU 35 2.044 0.139 4.912 301 H ASN 36 H ASN 36 1.376 3.513 8.034 302 HA ASN 36 HA ASN 36 0.699 3.199 10.820 303 1HB ASN 36 1HB ASN 36 1.686 5.282 8.965 304 2HB ASN 36 2HB ASN 36 0.610 5.935 10.166 305 1HD2 ASN 36 1HD2 ASN 36 3.763 5.871 9.584 306 2HD2 ASN 36 2HD2 ASN 36 4.379 5.478 11.145 307 H GLY 37 H GLY 37 -1.240 3.825 7.974 308 1HA GLY 37 1HA GLY 37 -3.487 4.284 7.762 309 2HA GLY 37 2HA GLY 37 -3.641 4.504 9.508 310 H LYS 38 H LYS 38 -0.977 6.275 8.060 311 HA LYS 38 HA LYS 38 -2.181 8.810 8.779 312 1HB LYS 38 1HB LYS 38 0.504 7.757 8.005 313 2HB LYS 38 2HB LYS 38 0.134 9.315 7.333 314 1HG LYS 38 1HG LYS 38 -0.557 9.637 10.023 315 2HG LYS 38 2HG LYS 38 0.781 8.497 10.067 316 1HD LYS 38 1HD LYS 38 1.862 10.534 10.242 317 2HD LYS 38 2HD LYS 38 2.029 10.204 8.516 318 1HE LYS 38 1HE LYS 38 0.110 11.682 8.019 319 2HE LYS 38 2HE LYS 38 -0.235 11.859 9.737 320 1HZ LYS 38 1HZ LYS 38 0.869 13.781 9.015 321 2HZ LYS 38 2HZ LYS 38 1.914 12.974 9.977 322 3HZ LYS 38 3HZ LYS 38 2.114 12.973 8.329 323 H ALA 39 H ALA 39 -1.990 6.891 5.688 324 HA ALA 39 HA ALA 39 -3.384 9.213 4.454 325 1HB ALA 39 1HB ALA 39 -2.795 8.137 2.316 326 2HB ALA 39 2HB ALA 39 -1.316 8.535 3.226 327 3HB ALA 39 3HB ALA 39 -1.919 6.873 3.191 328 H LYS 40 H LYS 40 -5.565 8.827 4.570 329 HA LYS 40 HA LYS 40 -6.570 6.079 4.848 330 1HB LYS 40 1HB LYS 40 -7.752 8.154 5.796 331 2HB LYS 40 2HB LYS 40 -8.306 8.488 4.158 332 1HG LYS 40 1HG LYS 40 -8.857 6.015 5.863 333 2HG LYS 40 2HG LYS 40 -10.000 7.274 5.435 334 1HD LYS 40 1HD LYS 40 -9.723 6.521 2.975 335 2HD LYS 40 2HD LYS 40 -8.783 5.162 3.624 336 1HE LYS 40 1HE LYS 40 -10.738 4.094 3.563 337 2HE LYS 40 2HE LYS 40 -10.878 4.803 5.170 338 1HZ LYS 40 1HZ LYS 40 -12.875 5.133 3.985 339 2HZ LYS 40 2HZ LYS 40 -12.156 6.621 4.087 340 3HZ LYS 40 3HZ LYS 40 -12.130 5.780 2.671 341 H ARG 41 H ARG 41 -7.210 8.592 2.244 342 HA ARG 41 HA ARG 41 -7.247 6.282 0.316 343 1HB ARG 41 1HB ARG 41 -9.368 7.473 0.314 344 2HB ARG 41 2HB ARG 41 -8.542 9.027 0.297 345 1HG ARG 41 1HG ARG 41 -7.597 8.392 -2.016 346 2HG ARG 41 2HG ARG 41 -8.676 7.011 -1.945 347 1HD ARG 41 1HD ARG 41 -9.877 8.603 -3.165 348 2HD ARG 41 2HD ARG 41 -10.601 8.633 -1.567 349 HE ARG 41 HE ARG 41 -10.163 10.836 -1.545 350 1HH1 ARG 41 2HH2 ARG 41 -7.758 9.457 -3.803 351 2HH1 ARG 41 1HH2 ARG 41 -6.968 11.008 -4.030 352 1HH2 ARG 41 2HH1 ARG 41 -9.283 12.838 -2.116 353 2HH2 ARG 41 1HH1 ARG 41 -8.082 12.941 -3.363 354 HA PRO 42 HA PRO 42 -3.281 8.533 -0.085 355 1HB PRO 42 1HB PRO 42 -1.826 6.637 -1.465 356 2HB PRO 42 2HB PRO 42 -2.083 6.611 0.308 357 1HG PRO 42 1HG PRO 42 -3.567 5.097 -1.839 358 2HG PRO 42 2HG PRO 42 -2.983 4.465 -0.291 359 1HD PRO 42 1HD PRO 42 -5.575 5.211 -0.618 360 2HD PRO 42 2HD PRO 42 -4.706 5.492 0.920 361 H ARG 43 H ARG 43 -2.570 9.874 -1.755 362 HA ARG 43 HA ARG 43 -4.124 10.164 -4.064 363 1HB ARG 43 1HB ARG 43 -2.504 11.791 -4.819 364 2HB ARG 43 2HB ARG 43 -2.800 11.949 -3.097 365 1HG ARG 43 1HG ARG 43 -0.522 12.289 -3.244 366 2HG ARG 43 2HG ARG 43 -0.599 10.587 -2.786 367 1HD ARG 43 1HD ARG 43 -0.361 10.057 -5.286 368 2HD ARG 43 2HD ARG 43 -0.097 11.778 -5.561 369 HE ARG 43 HE ARG 43 1.742 10.988 -3.591 370 1HH1 ARG 43 2HH2 ARG 43 1.009 10.018 -6.959 371 2HH1 ARG 43 1HH2 ARG 43 2.541 9.254 -7.190 372 1HH2 ARG 43 2HH1 ARG 43 3.888 10.334 -4.063 373 2HH2 ARG 43 1HH1 ARG 43 4.321 9.825 -5.637 374 H PHE 44 H PHE 44 -1.754 7.787 -3.604 375 HA PHE 44 HA PHE 44 -1.451 7.294 -6.504 376 1HB PHE 44 1HB PHE 44 0.580 5.993 -5.840 377 2HB PHE 44 2HB PHE 44 0.713 7.687 -5.555 378 HD1 PHE 44 1HD PHE 44 0.494 8.614 -3.175 379 HD2 PHE 44 2HD PHE 44 0.728 4.429 -4.084 380 HE1 PHE 44 1HE PHE 44 0.933 8.140 -0.788 381 HE2 PHE 44 2HE PHE 44 1.195 3.935 -1.673 382 HZ PHE 44 HZ PHE 44 1.259 5.801 -0.036 383 H LEU 45 H LEU 45 -3.724 6.458 -4.518 384 HA LEU 45 HA LEU 45 -3.559 3.833 -3.766 385 1HB LEU 45 1HB LEU 45 -5.287 5.436 -3.098 386 2HB LEU 45 2HB LEU 45 -5.866 5.586 -4.740 387 HG LEU 45 HG LEU 45 -6.740 3.344 -4.664 388 1HD1 LEU 45 1HD1 LEU 45 -5.771 3.225 -1.768 389 2HD1 LEU 45 2HD1 LEU 45 -6.826 2.042 -2.570 390 3HD1 LEU 45 3HD1 LEU 45 -5.157 2.254 -3.120 391 1HD2 LEU 45 1HD2 LEU 45 -8.107 5.258 -3.868 392 2HD2 LEU 45 2HD2 LEU 45 -8.522 3.816 -2.938 393 3HD2 LEU 45 3HD2 LEU 45 -7.473 5.041 -2.223 394 HA PRO 46 HA PRO 46 -5.087 1.962 -7.765 395 1HB PRO 46 1HB PRO 46 -4.836 3.245 -10.175 396 2HB PRO 46 2HB PRO 46 -6.293 3.281 -9.163 397 1HG PRO 46 1HG PRO 46 -4.091 5.325 -9.333 398 2HG PRO 46 2HG PRO 46 -5.855 5.613 -9.347 399 1HD PRO 46 1HD PRO 46 -4.378 5.911 -7.086 400 2HD PRO 46 2HD PRO 46 -6.031 5.212 -7.021 401 H GLU 47 H GLU 47 -2.207 4.099 -7.836 402 HA GLU 47 HA GLU 47 -0.723 2.436 -9.669 403 1HB GLU 47 1HB GLU 47 0.182 4.488 -7.578 404 2HB GLU 47 2HB GLU 47 1.181 3.712 -8.761 405 1HG GLU 47 1HG GLU 47 0.802 5.457 -10.072 406 2HG GLU 47 2HG GLU 47 -0.820 4.801 -10.360 407 H LEU 48 H LEU 48 -1.046 2.907 -6.158 408 HA LEU 48 HA LEU 48 0.857 0.989 -5.279 409 1HB LEU 48 1HB LEU 48 -0.154 2.596 -3.717 410 2HB LEU 48 2HB LEU 48 -1.744 1.893 -3.970 411 HG LEU 48 HG LEU 48 -0.978 -0.243 -2.967 412 1HD1 LEU 48 1HD1 LEU 48 1.364 -0.360 -3.495 413 2HD1 LEU 48 2HD1 LEU 48 1.695 1.179 -2.662 414 3HD1 LEU 48 3HD1 LEU 48 1.223 -0.262 -1.738 415 1HD2 LEU 48 1HD2 LEU 48 -0.771 0.550 -0.674 416 2HD2 LEU 48 2HD2 LEU 48 -0.246 2.147 -1.253 417 3HD2 LEU 48 3HD2 LEU 48 -1.904 1.597 -1.548 418 H ALA 49 H ALA 49 -2.682 0.762 -5.843 419 HA ALA 49 HA ALA 49 -2.680 -2.086 -5.182 420 1HB ALA 49 1HB ALA 49 -4.664 -0.791 -7.143 421 2HB ALA 49 2HB ALA 49 -4.959 -2.063 -5.935 422 3HB ALA 49 3HB ALA 49 -4.730 -0.391 -5.430 423 H ARG 50 H ARG 50 -2.301 -0.457 -8.409 424 HA ARG 50 HA ARG 50 -2.257 -2.904 -9.867 425 1HB ARG 50 1HB ARG 50 -2.354 -0.319 -10.579 426 2HB ARG 50 2HB ARG 50 -0.613 -0.476 -10.714 427 1HG ARG 50 1HG ARG 50 -2.770 -2.063 -12.166 428 2HG ARG 50 2HG ARG 50 -1.885 -0.712 -12.838 429 1HD ARG 50 1HD ARG 50 -0.703 -3.408 -12.085 430 2HD ARG 50 2HD ARG 50 -1.126 -2.847 -13.695 431 HE ARG 50 HE ARG 50 0.659 -0.928 -12.732 432 1HH1 ARG 50 2HH2 ARG 50 0.664 -4.366 -13.673 433 2HH1 ARG 50 1HH2 ARG 50 2.367 -4.437 -13.944 434 1HH2 ARG 50 2HH1 ARG 50 2.809 -0.935 -13.301 435 2HH2 ARG 50 1HH1 ARG 50 3.586 -2.356 -13.973 436 H ALA 51 H ALA 51 0.368 -1.062 -8.250 437 HA ALA 51 HA ALA 51 2.482 -2.790 -9.031 438 1HB ALA 51 1HB ALA 51 3.708 -1.740 -7.178 439 2HB ALA 51 2HB ALA 51 2.826 -0.526 -8.100 440 3HB ALA 51 3HB ALA 51 2.203 -1.068 -6.533 441 H LEU 52 H LEU 52 0.424 -2.679 -6.110 442 HA LEU 52 HA LEU 52 1.522 -4.881 -4.739 443 1HB LEU 52 1HB LEU 52 -0.534 -2.942 -4.363 444 2HB LEU 52 2HB LEU 52 -1.341 -4.334 -4.158 445 HG LEU 52 HG LEU 52 1.010 -2.980 -2.736 446 1HD1 LEU 52 1HD1 LEU 52 -1.256 -2.628 -1.947 447 2HD1 LEU 52 2HD1 LEU 52 -1.419 -4.356 -1.571 448 3HD1 LEU 52 3HD1 LEU 52 -0.242 -3.351 -0.684 449 1HD2 LEU 52 1HD2 LEU 52 2.164 -5.015 -2.740 450 2HD2 LEU 52 2HD2 LEU 52 1.420 -4.933 -1.160 451 3HD2 LEU 52 3HD2 LEU 52 0.704 -5.960 -2.431 452 H GLY 53 H GLY 53 -0.931 -4.687 -7.204 453 1HA GLY 53 1HA GLY 53 -1.568 -6.354 -8.693 454 2HA GLY 53 2HA GLY 53 -0.889 -7.600 -7.634 455 H VAL 54 H VAL 54 -3.226 -4.941 -6.847 456 HA VAL 54 HA VAL 54 -5.332 -6.956 -6.382 457 HB VAL 54 HB VAL 54 -5.843 -6.214 -4.134 458 1HG1 VAL 54 1HG1 VAL 54 -4.019 -7.123 -2.864 459 2HG1 VAL 54 2HG1 VAL 54 -4.173 -8.046 -4.358 460 3HG1 VAL 54 3HG1 VAL 54 -2.869 -6.842 -4.188 461 1HG2 VAL 54 1HG2 VAL 54 -4.089 -4.739 -2.936 462 2HG2 VAL 54 2HG2 VAL 54 -3.640 -4.201 -4.560 463 3HG2 VAL 54 3HG2 VAL 54 -5.303 -3.980 -3.974 464 H ALA 55 H ALA 55 -7.434 -5.625 -5.705 465 HA ALA 55 HA ALA 55 -7.756 -3.492 -7.695 466 1HB ALA 55 1HB ALA 55 -10.114 -3.524 -6.903 467 2HB ALA 55 2HB ALA 55 -9.541 -5.131 -7.384 468 3HB ALA 55 3HB ALA 55 -9.676 -4.716 -5.660 469 H VAL 56 H VAL 56 -8.396 -1.310 -7.138 470 HA VAL 56 HA VAL 56 -7.492 -0.108 -4.652 471 HB VAL 56 HB VAL 56 -9.440 0.665 -6.896 472 1HG1 VAL 56 1HG1 VAL 56 -10.284 1.886 -5.029 473 2HG1 VAL 56 2HG1 VAL 56 -8.669 2.217 -4.423 474 3HG1 VAL 56 3HG1 VAL 56 -9.253 3.024 -5.907 475 1HG2 VAL 56 1HG2 VAL 56 -7.092 0.614 -7.556 476 2HG2 VAL 56 2HG2 VAL 56 -7.603 2.300 -7.407 477 3HG2 VAL 56 3HG2 VAL 56 -6.627 1.554 -6.125 478 H ASP 57 H ASP 57 -10.632 -1.548 -5.731 479 HA ASP 57 HA ASP 57 -12.032 -0.789 -3.389 480 1HB ASP 57 1HB ASP 57 -12.846 -1.849 -5.644 481 2HB ASP 57 2HB ASP 57 -12.565 -3.395 -4.837 482 H TRP 58 H TRP 58 -9.858 -3.543 -4.017 483 HA TRP 58 HA TRP 58 -10.401 -4.960 -1.552 484 1HB TRP 58 1HB TRP 58 -9.227 -5.989 -3.527 485 2HB TRP 58 2HB TRP 58 -7.901 -4.858 -3.233 486 HD1 TRP 58 HD TRP 58 -9.481 -7.930 -1.849 487 HE1 TRP 58 1HE TRP 58 -7.914 -9.131 -0.200 488 HE3 TRP 58 3HE TRP 58 -5.855 -4.405 -1.564 489 HZ2 TRP 58 2HZ TRP 58 -5.337 -8.623 1.016 490 HZ3 TRP 58 3HZ TRP 58 -3.823 -4.772 -0.144 491 HH2 TRP 58 HH TRP 58 -3.606 -6.879 1.177 492 H LEU 59 H LEU 59 -8.045 -2.491 -2.681 493 HA LEU 59 HA LEU 59 -6.646 -2.321 -0.211 494 1HB LEU 59 1HB LEU 59 -6.811 -0.714 -2.693 495 2HB LEU 59 2HB LEU 59 -6.405 0.162 -1.260 496 HG LEU 59 HG LEU 59 -4.953 -2.226 -2.421 497 1HD1 LEU 59 1HD1 LEU 59 -3.141 -0.651 -2.737 498 2HD1 LEU 59 2HD1 LEU 59 -4.617 0.092 -3.370 499 3HD1 LEU 59 3HD1 LEU 59 -3.998 0.600 -1.795 500 1HD2 LEU 59 1HD2 LEU 59 -3.177 -1.795 -0.632 501 2HD2 LEU 59 2HD2 LEU 59 -4.373 -0.805 0.231 502 3HD2 LEU 59 3HD2 LEU 59 -4.630 -2.544 -0.009 503 H LEU 60 H LEU 60 -9.366 -0.329 -1.387 504 HA LEU 60 HA LEU 60 -9.565 1.279 0.940 505 1HB LEU 60 1HB LEU 60 -11.510 0.428 -1.235 506 2HB LEU 60 2HB LEU 60 -12.019 1.473 0.074 507 HG LEU 60 HG LEU 60 -9.666 2.087 -1.787 508 1HD1 LEU 60 1HD1 LEU 60 -11.135 3.641 -2.961 509 2HD1 LEU 60 2HD1 LEU 60 -11.806 2.003 -3.032 510 3HD1 LEU 60 3HD1 LEU 60 -12.494 3.196 -1.914 511 1HD2 LEU 60 1HD2 LEU 60 -10.031 4.452 -0.955 512 2HD2 LEU 60 2HD2 LEU 60 -11.133 3.785 0.268 513 3HD2 LEU 60 3HD2 LEU 60 -9.414 3.340 0.267 514 H ASN 61 H ASN 61 -11.424 -1.596 0.014 515 HA ASN 61 HA ASN 61 -12.718 -1.580 2.667 516 1HB ASN 61 1HB ASN 61 -13.556 -2.895 0.058 517 2HB ASN 61 2HB ASN 61 -14.539 -2.668 1.498 518 1HD2 ASN 61 1HD2 ASN 61 -14.027 -1.342 -1.515 519 2HD2 ASN 61 2HD2 ASN 61 -14.487 0.336 -1.165 520 H GLY 62 H GLY 62 -10.705 -3.775 0.684 521 1HA GLY 62 1HA GLY 62 -9.845 -5.793 1.159 522 2HA GLY 62 2HA GLY 62 -10.071 -5.315 2.833 523 H ALA 63 H ALA 63 -11.970 -6.599 0.141 524 HA ALA 63 HA ALA 63 -13.172 -8.506 -0.072 525 1HB ALA 63 1HB ALA 63 -11.125 -9.623 0.796 526 2HB ALA 63 2HB ALA 63 -11.803 -9.539 2.437 527 3HB ALA 63 3HB ALA 63 -12.627 -10.483 1.182 Start of MODEL 12 1 1H MET 0 H MET 0 -8.940 -5.035 11.378 2 HA MET 0 HA MET 0 -6.260 -4.895 10.591 3 1HB MET 0 1HB MET 0 -6.294 -5.838 8.395 4 2HB MET 0 2HB MET 0 -6.795 -7.102 9.509 5 1HG MET 0 1HG MET 0 -8.668 -5.432 7.777 6 2HG MET 0 2HG MET 0 -8.066 -7.028 7.371 7 1HE MET 0 1HE MET 0 -12.038 -7.157 8.225 8 2HE MET 0 2HE MET 0 -11.248 -5.587 7.968 9 3HE MET 0 3HE MET 0 -10.875 -6.954 6.891 10 H LEU 1 H LEU 1 -6.110 -3.483 8.570 11 HA LEU 1 HA LEU 1 -8.384 -1.905 7.775 12 1HB LEU 1 1HB LEU 1 -5.949 -0.589 9.052 13 2HB LEU 1 2HB LEU 1 -7.179 0.274 8.161 14 HG LEU 1 HG LEU 1 -7.749 -1.170 10.768 15 1HD1 LEU 1 1HD1 LEU 1 -7.808 1.097 11.691 16 2HD1 LEU 1 2HD1 LEU 1 -6.214 0.729 11.031 17 3HD1 LEU 1 3HD1 LEU 1 -7.326 1.773 10.116 18 1HD2 LEU 1 1HD2 LEU 1 -9.415 0.784 9.088 19 2HD2 LEU 1 2HD2 LEU 1 -9.760 -0.943 9.296 20 3HD2 LEU 1 3HD2 LEU 1 -9.859 0.138 10.686 21 H MET 2 H MET 2 -7.064 -0.079 6.310 22 HA MET 2 HA MET 2 -5.891 -1.315 4.053 23 1HB MET 2 1HB MET 2 -6.176 1.441 5.189 24 2HB MET 2 2HB MET 2 -4.980 1.233 3.900 25 1HG MET 2 1HG MET 2 -6.581 0.363 2.405 26 2HG MET 2 2HG MET 2 -7.775 0.100 3.670 27 1HE MET 2 1HE MET 2 -5.742 3.270 2.110 28 2HE MET 2 2HE MET 2 -6.504 2.177 0.920 29 3HE MET 2 3HE MET 2 -7.133 3.818 1.149 30 H GLY 3 H GLY 3 -4.281 0.559 6.676 31 1HA GLY 3 1HA GLY 3 -1.646 0.226 5.953 32 2HA GLY 3 2HA GLY 3 -2.213 0.278 7.634 33 H GLU 4 H GLU 4 -3.479 -2.038 8.072 34 HA GLU 4 HA GLU 4 -1.454 -4.016 8.163 35 1HB GLU 4 1HB GLU 4 -4.461 -4.035 8.623 36 2HB GLU 4 2HB GLU 4 -3.544 -5.538 8.686 37 1HG GLU 4 1HG GLU 4 -2.974 -3.076 10.392 38 2HG GLU 4 2HG GLU 4 -3.831 -4.530 10.925 39 H ARG 5 H ARG 5 -4.183 -3.642 5.855 40 HA ARG 5 HA ARG 5 -3.799 -6.048 4.411 41 1HB ARG 5 1HB ARG 5 -5.011 -3.350 3.873 42 2HB ARG 5 2HB ARG 5 -4.407 -4.167 2.431 43 1HG ARG 5 1HG ARG 5 -5.665 -6.203 3.125 44 2HG ARG 5 2HG ARG 5 -6.348 -5.254 4.455 45 1HD ARG 5 1HD ARG 5 -6.579 -4.565 1.497 46 2HD ARG 5 2HD ARG 5 -7.764 -5.527 2.359 47 HE ARG 5 HE ARG 5 -7.726 -2.784 2.121 48 1HH1 ARG 5 2HH2 ARG 5 -8.202 -5.058 4.838 49 2HH1 ARG 5 1HH2 ARG 5 -9.207 -3.924 5.709 50 1HH2 ARG 5 2HH1 ARG 5 -9.116 -1.422 3.230 51 2HH2 ARG 5 1HH1 ARG 5 -9.633 -1.796 4.828 52 H ILE 6 H ILE 6 -2.322 -2.880 3.953 53 HA ILE 6 HA ILE 6 -0.647 -3.577 1.751 54 HB ILE 6 HB ILE 6 -0.776 -1.390 3.845 55 1HG1 ILE 6 1HG1 ILE 6 -1.105 -1.202 0.812 56 2HG1 ILE 6 2HG1 ILE 6 -2.435 -1.703 1.849 57 1HG2 ILE 6 1HG2 ILE 6 1.546 -1.463 3.425 58 2HG2 ILE 6 2HG2 ILE 6 1.320 -1.521 1.654 59 3HG2 ILE 6 3HG2 ILE 6 0.908 -0.059 2.598 60 1HD1 ILE 6 1HD1 ILE 6 -1.029 0.968 1.960 61 2HD1 ILE 6 2HD1 ILE 6 -2.685 0.627 1.422 62 3HD1 ILE 6 3HD1 ILE 6 -2.249 0.427 3.131 63 H ARG 7 H ARG 7 -0.010 -3.447 5.307 64 HA ARG 7 HA ARG 7 2.709 -4.212 5.087 65 1HB ARG 7 1HB ARG 7 1.352 -3.275 7.087 66 2HB ARG 7 2HB ARG 7 0.891 -4.932 7.435 67 1HG ARG 7 1HG ARG 7 3.769 -3.966 7.168 68 2HG ARG 7 2HG ARG 7 2.863 -3.940 8.688 69 1HD ARG 7 1HD ARG 7 2.617 -6.411 8.571 70 2HD ARG 7 2HD ARG 7 3.642 -6.440 7.135 71 HE ARG 7 HE ARG 7 4.418 -6.010 9.903 72 1HH1 ARG 7 2HH2 ARG 7 5.486 -5.621 6.557 73 2HH1 ARG 7 1HH2 ARG 7 7.155 -5.370 6.964 74 1HH2 ARG 7 2HH1 ARG 7 6.616 -5.622 10.455 75 2HH2 ARG 7 1HH1 ARG 7 7.794 -5.396 9.213 76 H ALA 8 H ALA 8 -0.205 -6.219 5.642 77 HA ALA 8 HA ALA 8 1.083 -8.717 5.827 78 1HB ALA 8 1HB ALA 8 -1.247 -8.322 6.550 79 2HB ALA 8 2HB ALA 8 -1.746 -8.062 4.865 80 3HB ALA 8 3HB ALA 8 -1.164 -9.658 5.386 81 H ARG 9 H ARG 9 -0.481 -7.137 2.965 82 HA ARG 9 HA ARG 9 0.144 -9.276 1.201 83 1HB ARG 9 1HB ARG 9 -1.550 -7.305 1.062 84 2HB ARG 9 2HB ARG 9 -0.228 -6.405 0.351 85 1HG ARG 9 1HG ARG 9 -1.773 -8.802 -0.726 86 2HG ARG 9 2HG ARG 9 -1.633 -7.196 -1.380 87 1HD ARG 9 1HD ARG 9 0.872 -7.784 -1.768 88 2HD ARG 9 2HD ARG 9 0.396 -9.443 -1.364 89 HE ARG 9 HE ARG 9 -0.968 -7.844 -3.466 90 1HH1 ARG 9 2HH2 ARG 9 1.289 -10.487 -2.783 91 2HH1 ARG 9 1HH2 ARG 9 1.104 -11.197 -4.345 92 1HH2 ARG 9 2HH1 ARG 9 -1.463 -9.052 -5.430 93 2HH2 ARG 9 1HH1 ARG 9 -0.683 -10.565 -5.736 94 H ARG 10 H ARG 10 2.003 -6.310 2.070 95 HA ARG 10 HA ARG 10 4.114 -6.574 0.190 96 1HB ARG 10 1HB ARG 10 3.657 -4.690 1.702 97 2HB ARG 10 2HB ARG 10 4.067 -5.622 3.097 98 1HG ARG 10 1HG ARG 10 6.278 -5.450 2.842 99 2HG ARG 10 2HG ARG 10 6.242 -5.461 1.086 100 1HD ARG 10 1HD ARG 10 6.936 -3.204 2.225 101 2HD ARG 10 2HD ARG 10 5.827 -3.222 0.886 102 HE ARG 10 HE ARG 10 4.187 -2.410 2.168 103 1HH1 ARG 10 2HH2 ARG 10 6.535 -3.794 4.596 104 2HH1 ARG 10 1HH2 ARG 10 5.691 -2.895 5.848 105 1HH2 ARG 10 2HH1 ARG 10 3.202 -1.458 3.930 106 2HH2 ARG 10 1HH1 ARG 10 3.938 -1.718 5.478 107 H ILE 11 H ILE 11 3.874 -7.762 3.505 108 HA ILE 11 HA ILE 11 6.197 -9.438 3.396 109 HB ILE 11 HB ILE 11 3.721 -9.529 5.129 110 1HG1 ILE 11 1HG1 ILE 11 5.116 -7.505 5.408 111 2HG1 ILE 11 2HG1 ILE 11 5.183 -8.513 6.837 112 1HG2 ILE 11 1HG2 ILE 11 5.064 -10.906 6.755 113 2HG2 ILE 11 2HG2 ILE 11 4.581 -11.756 5.294 114 3HG2 ILE 11 3HG2 ILE 11 6.246 -11.203 5.457 115 1HD1 ILE 11 1HD1 ILE 11 7.347 -8.175 4.708 116 2HD1 ILE 11 2HD1 ILE 11 7.409 -7.684 6.402 117 3HD1 ILE 11 3HD1 ILE 11 7.425 -9.394 6.000 118 H GLN 12 H GLN 12 2.858 -10.220 2.508 119 HA GLN 12 HA GLN 12 3.246 -12.912 1.792 120 1HB GLN 12 1HB GLN 12 1.142 -11.261 1.859 121 2HB GLN 12 2HB GLN 12 1.499 -11.062 0.166 122 1HG GLN 12 1HG GLN 12 1.451 -13.844 0.478 123 2HG GLN 12 2HG GLN 12 0.177 -13.292 1.557 124 1HE2 GLN 12 1HE2 GLN 12 -1.191 -11.333 0.410 125 2HE2 GLN 12 2HE2 GLN 12 -1.676 -11.695 -1.234 126 H LEU 13 H LEU 13 4.490 -10.235 0.274 127 HA LEU 13 HA LEU 13 5.391 -11.817 -2.100 128 1HB LEU 13 1HB LEU 13 3.973 -9.871 -2.593 129 2HB LEU 13 2HB LEU 13 5.101 -8.815 -1.760 130 HG LEU 13 HG LEU 13 6.791 -9.145 -3.482 131 1HD1 LEU 13 1HD1 LEU 13 6.508 -11.500 -4.072 132 2HD1 LEU 13 2HD1 LEU 13 4.864 -11.189 -4.681 133 3HD1 LEU 13 3HD1 LEU 13 6.272 -10.530 -5.520 134 1HD2 LEU 13 1HD2 LEU 13 4.033 -8.757 -4.736 135 2HD2 LEU 13 2HD2 LEU 13 4.942 -7.505 -3.866 136 3HD2 LEU 13 3HD2 LEU 13 5.579 -8.172 -5.377 137 H GLY 14 H GLY 14 6.344 -10.829 0.902 138 1HA GLY 14 1HA GLY 14 8.268 -11.116 2.031 139 2HA GLY 14 2HA GLY 14 8.970 -11.806 0.575 140 H LEU 15 H LEU 15 7.790 -8.502 0.248 141 HA LEU 15 HA LEU 15 10.578 -7.633 0.035 142 1HB LEU 15 1HB LEU 15 10.094 -6.625 -1.827 143 2HB LEU 15 2HB LEU 15 8.862 -7.846 -1.958 144 HG LEU 15 HG LEU 15 8.297 -5.109 -0.747 145 1HD1 LEU 15 1HD1 LEU 15 9.236 -4.796 -3.101 146 2HD1 LEU 15 2HD1 LEU 15 7.988 -5.898 -3.685 147 3HD1 LEU 15 3HD1 LEU 15 7.528 -4.348 -2.976 148 1HD2 LEU 15 1HD2 LEU 15 6.521 -7.046 -2.237 149 2HD2 LEU 15 2HD2 LEU 15 6.643 -6.930 -0.486 150 3HD2 LEU 15 3HD2 LEU 15 6.012 -5.555 -1.414 151 H ASN 16 H ASN 16 10.975 -5.350 0.329 152 HA ASN 16 HA ASN 16 10.143 -4.686 3.092 153 1HB ASN 16 1HB ASN 16 12.183 -3.269 1.341 154 2HB ASN 16 2HB ASN 16 11.925 -3.001 3.026 155 1HD2 ASN 16 1HD2 ASN 16 13.125 -5.495 0.707 156 2HD2 ASN 16 2HD2 ASN 16 14.023 -6.338 1.935 157 H GLN 17 H GLN 17 9.734 -2.214 3.670 158 HA GLN 17 HA GLN 17 7.617 -1.105 2.187 159 1HB GLN 17 1HB GLN 17 9.700 0.290 3.934 160 2HB GLN 17 2HB GLN 17 8.209 1.011 3.349 161 1HG GLN 17 1HG GLN 17 6.910 -0.738 4.553 162 2HG GLN 17 2HG GLN 17 8.420 -1.351 5.252 163 1HE2 GLN 17 1HE2 GLN 17 6.470 -0.596 6.912 164 2HE2 GLN 17 2HE2 GLN 17 6.911 0.907 7.759 165 H ALA 18 H ALA 18 11.126 -0.270 2.099 166 HA ALA 18 HA ALA 18 10.814 1.858 0.319 167 1HB ALA 18 1HB ALA 18 12.731 1.346 1.864 168 2HB ALA 18 2HB ALA 18 13.277 0.113 0.733 169 3HB ALA 18 3HB ALA 18 13.225 1.832 0.247 170 H GLU 19 H GLU 19 11.443 -1.610 -0.352 171 HA GLU 19 HA GLU 19 11.768 -1.360 -3.164 172 1HB GLU 19 1HB GLU 19 10.633 -3.685 -1.551 173 2HB GLU 19 2HB GLU 19 11.294 -3.741 -3.198 174 1HG GLU 19 1HG GLU 19 13.474 -2.856 -2.191 175 2HG GLU 19 2HG GLU 19 12.794 -3.151 -0.618 176 H LEU 20 H LEU 20 8.837 -2.110 -1.183 177 HA LEU 20 HA LEU 20 7.012 -2.236 -3.373 178 1HB LEU 20 1HB LEU 20 6.363 -2.986 -1.147 179 2HB LEU 20 2HB LEU 20 6.559 -1.353 -0.498 180 HG LEU 20 HG LEU 20 4.691 -0.566 -2.008 181 1HD1 LEU 20 1HD1 LEU 20 3.163 -2.277 -2.965 182 2HD1 LEU 20 2HD1 LEU 20 4.759 -2.319 -3.714 183 3HD1 LEU 20 3HD1 LEU 20 4.315 -3.557 -2.513 184 1HD2 LEU 20 1HD2 LEU 20 2.875 -1.441 -0.694 185 2HD2 LEU 20 2HD2 LEU 20 3.852 -2.820 -0.157 186 3HD2 LEU 20 3HD2 LEU 20 4.270 -1.157 0.346 187 H ALA 21 H ALA 21 8.109 0.491 -1.362 188 HA ALA 21 HA ALA 21 6.587 2.505 -2.493 189 1HB ALA 21 1HB ALA 21 8.235 4.037 -1.671 190 2HB ALA 21 2HB ALA 21 8.105 2.733 -0.485 191 3HB ALA 21 3HB ALA 21 9.488 2.812 -1.586 192 H GLN 22 H GLN 22 9.844 1.372 -3.510 193 HA GLN 22 HA GLN 22 10.224 3.182 -5.599 194 1HB GLN 22 1HB GLN 22 11.808 1.284 -4.515 195 2HB GLN 22 2HB GLN 22 11.215 0.322 -5.850 196 1HG GLN 22 1HG GLN 22 13.114 1.274 -6.763 197 2HG GLN 22 2HG GLN 22 11.892 2.410 -7.338 198 1HE2 GLN 22 1HE2 GLN 22 14.687 3.064 -7.063 199 2HE2 GLN 22 2HE2 GLN 22 14.875 4.205 -5.726 200 H LYS 23 H LYS 23 8.759 -0.139 -5.701 201 HA LYS 23 HA LYS 23 8.463 0.133 -8.553 202 1HB LYS 23 1HB LYS 23 8.714 -1.982 -8.491 203 2HB LYS 23 2HB LYS 23 8.744 -2.007 -6.760 204 1HG LYS 23 1HG LYS 23 6.165 -2.261 -8.372 205 2HG LYS 23 2HG LYS 23 7.209 -3.601 -7.912 206 1HD LYS 23 1HD LYS 23 6.945 -3.102 -5.529 207 2HD LYS 23 2HD LYS 23 5.965 -1.681 -5.910 208 1HE LYS 23 1HE LYS 23 4.501 -3.528 -5.291 209 2HE LYS 23 2HE LYS 23 4.263 -3.090 -6.974 210 1HZ LYS 23 1HZ LYS 23 4.481 -5.567 -6.607 211 2HZ LYS 23 2HZ LYS 23 5.516 -4.948 -7.682 212 3HZ LYS 23 3HZ LYS 23 6.085 -5.314 -6.224 213 H VAL 24 H VAL 24 6.352 0.927 -5.875 214 HA VAL 24 HA VAL 24 4.026 1.169 -7.644 215 HB VAL 24 HB VAL 24 4.571 2.432 -4.928 216 1HG1 VAL 24 1HG1 VAL 24 2.752 3.529 -6.148 217 2HG1 VAL 24 2HG1 VAL 24 2.035 1.956 -6.527 218 3HG1 VAL 24 3HG1 VAL 24 2.077 2.545 -4.838 219 1HG2 VAL 24 1HG2 VAL 24 3.550 0.666 -3.816 220 2HG2 VAL 24 2HG2 VAL 24 2.677 0.085 -5.233 221 3HG2 VAL 24 3HG2 VAL 24 4.381 -0.259 -5.075 222 H GLY 25 H GLY 25 6.800 3.125 -6.557 223 1HA GLY 25 1HA GLY 25 7.727 4.736 -8.074 224 2HA GLY 25 2HA GLY 25 6.104 5.306 -8.450 225 H VAL 26 H VAL 26 6.466 4.599 -5.063 226 HA VAL 26 HA VAL 26 6.262 7.487 -4.529 227 HB VAL 26 HB VAL 26 4.908 6.764 -2.645 228 1HG1 VAL 26 1HG1 VAL 26 3.844 7.015 -4.904 229 2HG1 VAL 26 2HG1 VAL 26 4.014 5.262 -5.148 230 3HG1 VAL 26 3HG1 VAL 26 3.015 5.879 -3.834 231 1HG2 VAL 26 1HG2 VAL 26 5.941 4.658 -2.018 232 2HG2 VAL 26 2HG2 VAL 26 4.198 4.485 -2.257 233 3HG2 VAL 26 3HG2 VAL 26 5.314 3.906 -3.508 234 H ASP 27 H ASP 27 6.860 7.900 -2.002 235 HA ASP 27 HA ASP 27 9.679 7.300 -1.720 236 1HB ASP 27 1HB ASP 27 8.822 8.455 0.627 237 2HB ASP 27 2HB ASP 27 9.461 9.343 -0.738 238 H GLN 28 H GLN 28 10.524 6.244 0.158 239 HA GLN 28 HA GLN 28 9.272 3.842 1.019 240 1HB GLN 28 1HB GLN 28 11.649 4.206 1.042 241 2HB GLN 28 2HB GLN 28 11.514 5.516 2.208 242 1HG GLN 28 1HG GLN 28 10.484 2.736 2.905 243 2HG GLN 28 2HG GLN 28 12.213 3.093 2.937 244 1HE2 GLN 28 1HE2 GLN 28 9.519 3.052 5.051 245 2HE2 GLN 28 2HE2 GLN 28 10.333 4.044 6.200 246 H GLN 29 H GLN 29 9.340 7.113 2.437 247 HA GLN 29 HA GLN 29 7.988 6.587 4.828 248 1HB GLN 29 1HB GLN 29 9.058 8.810 3.800 249 2HB GLN 29 2HB GLN 29 7.397 9.159 3.345 250 1HG GLN 29 1HG GLN 29 8.461 8.546 6.144 251 2HG GLN 29 2HG GLN 29 8.144 10.159 5.514 252 1HE2 GLN 29 1HE2 GLN 29 5.739 10.555 4.780 253 2HE2 GLN 29 2HE2 GLN 29 4.539 9.823 5.813 254 H ALA 30 H ALA 30 6.587 7.126 1.507 255 HA ALA 30 HA ALA 30 3.967 7.415 2.333 256 1HB ALA 30 1HB ALA 30 4.914 6.009 -0.196 257 2HB ALA 30 2HB ALA 30 3.286 6.634 0.093 258 3HB ALA 30 3HB ALA 30 4.634 7.756 -0.033 259 H ILE 31 H ILE 31 5.819 4.386 2.025 260 HA ILE 31 HA ILE 31 3.430 2.756 2.392 261 HB ILE 31 HB ILE 31 6.386 2.056 2.595 262 1HG1 ILE 31 1HG1 ILE 31 6.187 2.783 0.437 263 2HG1 ILE 31 2HG1 ILE 31 6.035 1.053 0.328 264 1HG2 ILE 31 1HG2 ILE 31 5.588 -0.253 2.154 265 2HG2 ILE 31 2HG2 ILE 31 4.976 0.391 3.682 266 3HG2 ILE 31 3HG2 ILE 31 3.900 0.319 2.266 267 1HD1 ILE 31 1HD1 ILE 31 3.822 3.135 0.009 268 2HD1 ILE 31 2HD1 ILE 31 4.507 2.094 -1.236 269 3HD1 ILE 31 3HD1 ILE 31 3.517 1.380 0.055 270 H GLU 32 H GLU 32 6.025 4.015 4.528 271 HA GLU 32 HA GLU 32 5.289 2.610 6.931 272 1HB GLU 32 1HB GLU 32 7.462 3.920 6.449 273 2HB GLU 32 2HB GLU 32 6.521 5.391 6.532 274 1HG GLU 32 1HG GLU 32 7.446 5.305 8.625 275 2HG GLU 32 2HG GLU 32 5.855 4.647 8.944 276 H GLN 33 H GLN 33 4.363 5.824 5.641 277 HA GLN 33 HA GLN 33 2.691 6.401 7.858 278 1HB GLN 33 1HB GLN 33 2.329 8.386 6.793 279 2HB GLN 33 2HB GLN 33 3.698 7.872 5.843 280 1HG GLN 33 1HG GLN 33 2.132 6.883 4.174 281 2HG GLN 33 2HG GLN 33 0.781 7.551 5.077 282 1HE2 GLN 33 1HE2 GLN 33 2.174 8.059 2.310 283 2HE2 GLN 33 2HE2 GLN 33 2.540 9.755 2.254 284 H LEU 34 H LEU 34 2.106 4.618 4.782 285 HA LEU 34 HA LEU 34 -0.708 4.687 4.999 286 1HB LEU 34 1HB LEU 34 1.403 3.329 3.393 287 2HB LEU 34 2HB LEU 34 -0.005 2.339 3.616 288 HG LEU 34 HG LEU 34 -0.186 5.237 2.782 289 1HD1 LEU 34 1HD1 LEU 34 -0.462 4.391 0.430 290 2HD1 LEU 34 2HD1 LEU 34 1.146 4.047 1.098 291 3HD1 LEU 34 3HD1 LEU 34 -0.053 2.761 1.008 292 1HD2 LEU 34 1HD2 LEU 34 -2.190 2.973 2.414 293 2HD2 LEU 34 2HD2 LEU 34 -2.302 4.245 3.628 294 3HD2 LEU 34 3HD2 LEU 34 -2.401 4.678 1.928 295 H GLU 35 H GLU 35 1.822 2.511 6.184 296 HA GLU 35 HA GLU 35 0.218 0.372 7.270 297 1HB GLU 35 1HB GLU 35 2.930 1.472 8.080 298 2HB GLU 35 2HB GLU 35 2.094 0.229 8.992 299 1HG GLU 35 1HG GLU 35 1.970 -1.123 6.800 300 2HG GLU 35 2HG GLU 35 3.074 0.038 6.126 301 H ASN 36 H ASN 36 1.428 3.442 8.736 302 HA ASN 36 HA ASN 36 -0.215 2.927 11.077 303 1HB ASN 36 1HB ASN 36 1.000 4.417 12.173 304 2HB ASN 36 2HB ASN 36 2.154 3.852 10.977 305 1HD2 ASN 36 1HD2 ASN 36 3.254 5.238 9.827 306 2HD2 ASN 36 2HD2 ASN 36 3.126 6.962 9.963 307 H GLY 37 H GLY 37 -1.396 3.631 8.276 308 1HA GLY 37 1HA GLY 37 -3.492 4.343 7.717 309 2HA GLY 37 2HA GLY 37 -3.768 4.804 9.400 310 H LYS 38 H LYS 38 -0.942 6.295 8.198 311 HA LYS 38 HA LYS 38 -2.166 8.876 8.514 312 1HB LYS 38 1HB LYS 38 0.532 7.729 8.325 313 2HB LYS 38 2HB LYS 38 0.416 9.202 7.392 314 1HG LYS 38 1HG LYS 38 -0.361 8.958 10.312 315 2HG LYS 38 2HG LYS 38 1.215 9.438 9.732 316 1HD LYS 38 1HD LYS 38 0.035 11.338 8.446 317 2HD LYS 38 2HD LYS 38 -1.415 10.934 9.401 318 1HE LYS 38 1HE LYS 38 -0.051 11.208 11.485 319 2HE LYS 38 2HE LYS 38 1.339 11.668 10.494 320 1HZ LYS 38 1HZ LYS 38 0.206 13.578 11.376 321 2HZ LYS 38 2HZ LYS 38 0.051 13.603 9.734 322 3HZ LYS 38 3HZ LYS 38 -1.206 13.142 10.722 323 H ALA 39 H ALA 39 -1.995 6.863 5.610 324 HA ALA 39 HA ALA 39 -2.795 9.310 4.120 325 1HB ALA 39 1HB ALA 39 -1.973 8.056 2.121 326 2HB ALA 39 2HB ALA 39 -0.663 8.437 3.274 327 3HB ALA 39 3HB ALA 39 -1.369 6.812 3.221 328 H LYS 40 H LYS 40 -5.053 9.130 4.447 329 HA LYS 40 HA LYS 40 -6.304 6.545 4.500 330 1HB LYS 40 1HB LYS 40 -7.155 8.578 5.681 331 2HB LYS 40 2HB LYS 40 -7.675 9.244 4.136 332 1HG LYS 40 1HG LYS 40 -9.470 8.170 5.495 333 2HG LYS 40 2HG LYS 40 -9.330 7.506 3.872 334 1HD LYS 40 1HD LYS 40 -8.487 5.457 4.601 335 2HD LYS 40 2HD LYS 40 -7.900 6.092 6.143 336 1HE LYS 40 1HE LYS 40 -10.867 6.177 5.566 337 2HE LYS 40 2HE LYS 40 -10.138 4.624 5.990 338 1HZ LYS 40 1HZ LYS 40 -9.589 6.939 7.713 339 2HZ LYS 40 2HZ LYS 40 -11.005 6.089 7.880 340 3HZ LYS 40 3HZ LYS 40 -9.589 5.335 8.066 341 H ARG 41 H ARG 41 -6.728 9.166 1.976 342 HA ARG 41 HA ARG 41 -6.896 6.910 0.014 343 1HB ARG 41 1HB ARG 41 -9.015 7.923 0.078 344 2HB ARG 41 2HB ARG 41 -8.364 9.556 0.068 345 1HG ARG 41 1HG ARG 41 -7.600 9.399 -2.232 346 2HG ARG 41 2HG ARG 41 -7.881 7.657 -2.243 347 1HD ARG 41 1HD ARG 41 -9.662 8.481 -3.465 348 2HD ARG 41 2HD ARG 41 -10.366 8.182 -1.882 349 HE ARG 41 HE ARG 41 -10.789 10.416 -1.646 350 1HH1 ARG 41 2HH2 ARG 41 -8.699 9.987 -4.509 351 2HH1 ARG 41 1HH2 ARG 41 -8.875 11.635 -5.023 352 1HH2 ARG 41 2HH1 ARG 41 -10.973 12.631 -2.397 353 2HH2 ARG 41 1HH1 ARG 41 -10.135 13.089 -3.848 354 HA PRO 42 HA PRO 42 -3.044 9.321 -0.673 355 1HB PRO 42 1HB PRO 42 -1.647 7.306 -1.938 356 2HB PRO 42 2HB PRO 42 -1.687 7.521 -0.161 357 1HG PRO 42 1HG PRO 42 -3.248 5.607 -1.879 358 2HG PRO 42 2HG PRO 42 -2.512 5.319 -0.284 359 1HD PRO 42 1HD PRO 42 -5.194 5.857 -0.674 360 2HD PRO 42 2HD PRO 42 -4.351 6.297 0.827 361 H ARG 43 H ARG 43 -2.424 10.282 -2.667 362 HA ARG 43 HA ARG 43 -4.331 10.307 -4.770 363 1HB ARG 43 1HB ARG 43 -2.711 11.583 -6.015 364 2HB ARG 43 2HB ARG 43 -2.674 12.083 -4.320 365 1HG ARG 43 1HG ARG 43 -0.587 10.699 -3.995 366 2HG ARG 43 2HG ARG 43 -0.645 10.286 -5.715 367 1HD ARG 43 1HD ARG 43 -0.705 12.813 -6.138 368 2HD ARG 43 2HD ARG 43 -0.154 12.991 -4.462 369 HE ARG 43 HE ARG 43 1.673 11.268 -5.252 370 1HH1 ARG 43 2HH2 ARG 43 0.478 14.021 -7.149 371 2HH1 ARG 43 1HH2 ARG 43 1.700 13.853 -8.384 372 1HH2 ARG 43 2HH1 ARG 43 3.257 11.081 -6.795 373 2HH2 ARG 43 1HH1 ARG 43 3.405 12.194 -8.115 374 H PHE 44 H PHE 44 -1.473 8.325 -4.333 375 HA PHE 44 HA PHE 44 -1.589 7.164 -6.994 376 1HB PHE 44 1HB PHE 44 0.507 6.154 -6.320 377 2HB PHE 44 2HB PHE 44 0.514 7.864 -5.958 378 HD1 PHE 44 1HD PHE 44 0.756 8.647 -3.600 379 HD2 PHE 44 2HD PHE 44 0.386 4.493 -4.596 380 HE1 PHE 44 1HE PHE 44 1.261 8.047 -1.251 381 HE2 PHE 44 2HE PHE 44 0.844 3.881 -2.206 382 HZ PHE 44 HZ PHE 44 1.235 5.612 -0.554 383 H LEU 45 H LEU 45 -3.768 6.561 -4.638 384 HA LEU 45 HA LEU 45 -3.572 3.976 -3.759 385 1HB LEU 45 1HB LEU 45 -5.232 5.602 -3.044 386 2HB LEU 45 2HB LEU 45 -5.912 5.700 -4.658 387 HG LEU 45 HG LEU 45 -6.687 3.354 -4.449 388 1HD1 LEU 45 1HD1 LEU 45 -6.742 2.276 -2.238 389 2HD1 LEU 45 2HD1 LEU 45 -5.063 2.557 -2.726 390 3HD1 LEU 45 3HD1 LEU 45 -5.819 3.615 -1.530 391 1HD2 LEU 45 1HD2 LEU 45 -7.591 5.163 -2.156 392 2HD2 LEU 45 2HD2 LEU 45 -8.083 5.374 -3.845 393 3HD2 LEU 45 3HD2 LEU 45 -8.547 3.905 -2.965 394 HA PRO 46 HA PRO 46 -5.349 1.886 -7.546 395 1HB PRO 46 1HB PRO 46 -5.415 3.048 -10.025 396 2HB PRO 46 2HB PRO 46 -6.742 3.191 -8.839 397 1HG PRO 46 1HG PRO 46 -4.530 5.166 -9.381 398 2HG PRO 46 2HG PRO 46 -6.300 5.459 -9.216 399 1HD PRO 46 1HD PRO 46 -4.560 5.864 -7.162 400 2HD PRO 46 2HD PRO 46 -6.218 5.245 -6.886 401 H GLU 47 H GLU 47 -2.484 3.998 -7.851 402 HA GLU 47 HA GLU 47 -1.055 2.239 -9.636 403 1HB GLU 47 1HB GLU 47 -0.033 4.310 -7.625 404 2HB GLU 47 2HB GLU 47 0.858 3.516 -8.869 405 1HG GLU 47 1HG GLU 47 -0.824 4.535 -10.546 406 2HG GLU 47 2HG GLU 47 -1.399 5.530 -9.196 407 H LEU 48 H LEU 48 -1.245 2.840 -6.113 408 HA LEU 48 HA LEU 48 0.575 0.875 -5.216 409 1HB LEU 48 1HB LEU 48 -0.545 2.766 -3.999 410 2HB LEU 48 2HB LEU 48 -1.922 1.740 -3.805 411 HG LEU 48 HG LEU 48 0.829 1.743 -2.562 412 1HD1 LEU 48 1HD1 LEU 48 -1.201 2.559 -1.394 413 2HD1 LEU 48 2HD1 LEU 48 -1.883 0.922 -1.473 414 3HD1 LEU 48 3HD1 LEU 48 -0.416 1.205 -0.531 415 1HD2 LEU 48 1HD2 LEU 48 0.952 -0.519 -3.380 416 2HD2 LEU 48 2HD2 LEU 48 0.752 -0.478 -1.631 417 3HD2 LEU 48 3HD2 LEU 48 -0.644 -0.886 -2.657 418 H ALA 49 H ALA 49 -2.982 0.783 -5.761 419 HA ALA 49 HA ALA 49 -3.176 -1.976 -5.044 420 1HB ALA 49 1HB ALA 49 -5.173 -0.351 -5.370 421 2HB ALA 49 2HB ALA 49 -4.935 -0.520 -7.108 422 3HB ALA 49 3HB ALA 49 -5.388 -1.928 -6.123 423 H ARG 50 H ARG 50 -2.906 -0.615 -8.375 424 HA ARG 50 HA ARG 50 -2.856 -3.124 -9.644 425 1HB ARG 50 1HB ARG 50 -3.233 -0.936 -10.727 426 2HB ARG 50 2HB ARG 50 -1.543 -0.495 -10.461 427 1HG ARG 50 1HG ARG 50 -1.631 -3.061 -11.819 428 2HG ARG 50 2HG ARG 50 -2.763 -1.986 -12.618 429 1HD ARG 50 1HD ARG 50 0.166 -1.329 -12.027 430 2HD ARG 50 2HD ARG 50 -0.429 -1.930 -13.573 431 HE ARG 50 HE ARG 50 -0.520 0.765 -12.574 432 1HH1 ARG 50 2HH2 ARG 50 -2.168 -1.499 -14.767 433 2HH1 ARG 50 1HH2 ARG 50 -3.076 -0.281 -15.589 434 1HH2 ARG 50 2HH1 ARG 50 -1.573 2.420 -13.779 435 2HH2 ARG 50 1HH1 ARG 50 -2.513 2.035 -15.169 436 H ALA 51 H ALA 51 -0.118 -1.135 -8.394 437 HA ALA 51 HA ALA 51 1.920 -2.930 -9.217 438 1HB ALA 51 1HB ALA 51 2.330 -0.533 -8.736 439 2HB ALA 51 2HB ALA 51 1.963 -0.823 -7.027 440 3HB ALA 51 3HB ALA 51 3.389 -1.564 -7.783 441 H LEU 52 H LEU 52 -0.025 -2.683 -6.073 442 HA LEU 52 HA LEU 52 1.499 -4.739 -4.783 443 1HB LEU 52 1HB LEU 52 0.029 -3.074 -3.720 444 2HB LEU 52 2HB LEU 52 -1.376 -3.935 -4.348 445 HG LEU 52 HG LEU 52 -0.733 -5.870 -2.949 446 1HD1 LEU 52 1HD1 LEU 52 1.673 -4.137 -2.183 447 2HD1 LEU 52 2HD1 LEU 52 1.144 -5.528 -1.229 448 3HD1 LEU 52 3HD1 LEU 52 1.708 -5.775 -2.880 449 1HD2 LEU 52 1HD2 LEU 52 -2.088 -3.981 -2.070 450 2HD2 LEU 52 2HD2 LEU 52 -1.159 -4.772 -0.789 451 3HD2 LEU 52 3HD2 LEU 52 -0.605 -3.217 -1.453 452 H GLY 53 H GLY 53 -1.018 -4.716 -7.218 453 1HA GLY 53 1HA GLY 53 -1.925 -6.423 -8.478 454 2HA GLY 53 2HA GLY 53 -0.921 -7.613 -7.613 455 H VAL 54 H VAL 54 -3.403 -5.138 -6.682 456 HA VAL 54 HA VAL 54 -5.263 -7.231 -6.000 457 HB VAL 54 HB VAL 54 -5.866 -6.391 -3.817 458 1HG1 VAL 54 1HG1 VAL 54 -4.040 -7.138 -2.435 459 2HG1 VAL 54 2HG1 VAL 54 -4.144 -8.166 -3.859 460 3HG1 VAL 54 3HG1 VAL 54 -2.875 -6.919 -3.757 461 1HG2 VAL 54 1HG2 VAL 54 -3.684 -4.342 -4.280 462 2HG2 VAL 54 2HG2 VAL 54 -5.384 -4.113 -3.814 463 3HG2 VAL 54 3HG2 VAL 54 -4.225 -4.768 -2.653 464 H ALA 55 H ALA 55 -7.497 -6.075 -5.617 465 HA ALA 55 HA ALA 55 -7.840 -3.980 -7.595 466 1HB ALA 55 1HB ALA 55 -9.581 -5.674 -7.147 467 2HB ALA 55 2HB ALA 55 -9.769 -5.045 -5.495 468 3HB ALA 55 3HB ALA 55 -10.191 -4.031 -6.890 469 H VAL 56 H VAL 56 -8.651 -1.792 -7.156 470 HA VAL 56 HA VAL 56 -7.719 -0.362 -4.799 471 HB VAL 56 HB VAL 56 -9.787 0.123 -7.014 472 1HG1 VAL 56 1HG1 VAL 56 -9.810 2.510 -6.333 473 2HG1 VAL 56 2HG1 VAL 56 -10.576 1.452 -5.147 474 3HG1 VAL 56 3HG1 VAL 56 -8.938 2.076 -4.837 475 1HG2 VAL 56 1HG2 VAL 56 -7.098 1.440 -6.459 476 2HG2 VAL 56 2HG2 VAL 56 -7.366 0.179 -7.689 477 3HG2 VAL 56 3HG2 VAL 56 -8.156 1.748 -7.852 478 H ASP 57 H ASP 57 -10.868 -2.015 -5.619 479 HA ASP 57 HA ASP 57 -12.077 -1.148 -3.177 480 1HB ASP 57 1HB ASP 57 -13.194 -2.306 -5.224 481 2HB ASP 57 2HB ASP 57 -12.720 -3.822 -4.455 482 H TRP 58 H TRP 58 -9.886 -3.799 -3.904 483 HA TRP 58 HA TRP 58 -10.260 -5.163 -1.368 484 1HB TRP 58 1HB TRP 58 -9.179 -6.223 -3.383 485 2HB TRP 58 2HB TRP 58 -7.804 -5.145 -3.117 486 HD1 TRP 58 HD TRP 58 -9.536 -8.127 -1.732 487 HE1 TRP 58 1HE TRP 58 -8.155 -9.362 -0.010 488 HE3 TRP 58 3HE TRP 58 -5.890 -4.665 -1.244 489 HZ2 TRP 58 2HZ TRP 58 -5.474 -8.942 1.226 490 HZ3 TRP 58 3HZ TRP 58 -3.883 -5.097 0.185 491 HH2 TRP 58 HH TRP 58 -3.706 -7.245 1.441 492 H LEU 59 H LEU 59 -7.959 -2.696 -2.670 493 HA LEU 59 HA LEU 59 -6.487 -2.346 -0.288 494 1HB LEU 59 1HB LEU 59 -6.924 -0.857 -2.834 495 2HB LEU 59 2HB LEU 59 -6.462 0.082 -1.483 496 HG LEU 59 HG LEU 59 -4.948 -2.116 -2.861 497 1HD1 LEU 59 1HD1 LEU 59 -4.784 0.349 -3.431 498 2HD1 LEU 59 2HD1 LEU 59 -4.107 0.617 -1.829 499 3HD1 LEU 59 3HD1 LEU 59 -3.237 -0.411 -3.007 500 1HD2 LEU 59 1HD2 LEU 59 -4.475 -2.826 -0.592 501 2HD2 LEU 59 2HD2 LEU 59 -3.098 -1.873 -1.111 502 3HD2 LEU 59 3HD2 LEU 59 -4.307 -1.142 -0.037 503 H LEU 60 H LEU 60 -9.268 -0.452 -1.457 504 HA LEU 60 HA LEU 60 -9.404 1.194 0.882 505 1HB LEU 60 1HB LEU 60 -11.385 0.439 -1.297 506 2HB LEU 60 2HB LEU 60 -11.863 1.463 0.043 507 HG LEU 60 HG LEU 60 -9.516 2.123 -1.784 508 1HD1 LEU 60 1HD1 LEU 60 -11.623 2.020 -3.079 509 2HD1 LEU 60 2HD1 LEU 60 -12.390 3.124 -1.920 510 3HD1 LEU 60 3HD1 LEU 60 -11.046 3.692 -2.928 511 1HD2 LEU 60 1HD2 LEU 60 -9.880 4.443 -0.904 512 2HD2 LEU 60 2HD2 LEU 60 -11.125 3.818 0.189 513 3HD2 LEU 60 3HD2 LEU 60 -9.437 3.318 0.381 514 H ASN 61 H ASN 61 -11.404 -1.618 -0.087 515 HA ASN 61 HA ASN 61 -12.660 -1.495 2.555 516 1HB ASN 61 1HB ASN 61 -13.721 -2.667 -0.027 517 2HB ASN 61 2HB ASN 61 -14.606 -2.321 1.452 518 1HD2 ASN 61 1HD2 ASN 61 -14.190 -1.129 -1.616 519 2HD2 ASN 61 2HD2 ASN 61 -14.370 0.585 -1.274 520 H GLY 62 H GLY 62 -10.912 -3.869 0.487 521 1HA GLY 62 1HA GLY 62 -9.670 -5.412 1.692 522 2HA GLY 62 2HA GLY 62 -10.946 -5.614 2.858 523 H ALA 63 H ALA 63 -12.432 -5.832 -0.111 524 HA ALA 63 HA ALA 63 -11.396 -8.387 -0.976 525 1HB ALA 63 1HB ALA 63 -14.163 -8.306 0.248 526 2HB ALA 63 2HB ALA 63 -13.593 -9.563 -0.887 527 3HB ALA 63 3HB ALA 63 -12.791 -9.360 0.672 Start of MODEL 13 1 1H MET 0 H MET 0 -4.424 -3.330 11.515 2 HA MET 0 HA MET 0 -5.770 -5.315 10.325 3 1HB MET 0 1HB MET 0 -7.127 -5.348 12.470 4 2HB MET 0 2HB MET 0 -7.728 -3.738 12.062 5 1HG MET 0 1HG MET 0 -8.831 -4.638 10.071 6 2HG MET 0 2HG MET 0 -8.006 -6.181 10.269 7 1HE MET 0 1HE MET 0 -11.114 -4.070 10.966 8 2HE MET 0 2HE MET 0 -11.670 -4.643 12.552 9 3HE MET 0 3HE MET 0 -10.172 -3.696 12.433 10 H LEU 1 H LEU 1 -7.552 -4.174 8.822 11 HA LEU 1 HA LEU 1 -8.506 -2.433 7.705 12 1HB LEU 1 1HB LEU 1 -6.637 -0.470 9.095 13 2HB LEU 1 2HB LEU 1 -8.063 -0.095 8.163 14 HG LEU 1 HG LEU 1 -8.037 -1.490 10.866 15 1HD1 LEU 1 1HD1 LEU 1 -9.184 0.541 11.612 16 2HD1 LEU 1 2HD1 LEU 1 -7.604 0.933 10.911 17 3HD1 LEU 1 3HD1 LEU 1 -9.087 1.232 9.976 18 1HD2 LEU 1 1HD2 LEU 1 -10.513 -1.323 10.742 19 2HD2 LEU 1 2HD2 LEU 1 -10.382 -0.819 9.036 20 3HD2 LEU 1 3HD2 LEU 1 -9.859 -2.438 9.541 21 H MET 2 H MET 2 -7.332 -0.255 6.445 22 HA MET 2 HA MET 2 -5.980 -1.330 4.253 23 1HB MET 2 1HB MET 2 -6.414 1.408 5.361 24 2HB MET 2 2HB MET 2 -5.028 1.232 4.276 25 1HG MET 2 1HG MET 2 -6.464 0.140 2.616 26 2HG MET 2 2HG MET 2 -7.858 0.267 3.690 27 1HE MET 2 1HE MET 2 -5.333 1.971 1.347 28 2HE MET 2 2HE MET 2 -5.860 3.665 1.281 29 3HE MET 2 3HE MET 2 -5.058 3.054 2.737 30 H GLY 3 H GLY 3 -4.553 0.385 7.059 31 1HA GLY 3 1HA GLY 3 -1.907 0.237 6.288 32 2HA GLY 3 2HA GLY 3 -2.425 0.158 7.983 33 H GLU 4 H GLU 4 -3.620 -2.355 8.185 34 HA GLU 4 HA GLU 4 -1.320 -4.099 7.963 35 1HB GLU 4 1HB GLU 4 -3.841 -4.213 9.269 36 2HB GLU 4 2HB GLU 4 -3.730 -5.668 8.315 37 1HG GLU 4 1HG GLU 4 -1.605 -4.658 10.266 38 2HG GLU 4 2HG GLU 4 -2.850 -5.826 10.666 39 H ARG 5 H ARG 5 -4.138 -3.532 5.853 40 HA ARG 5 HA ARG 5 -3.807 -5.897 4.275 41 1HB ARG 5 1HB ARG 5 -5.251 -3.299 4.009 42 2HB ARG 5 2HB ARG 5 -4.731 -4.000 2.482 43 1HG ARG 5 1HG ARG 5 -5.751 -6.221 3.314 44 2HG ARG 5 2HG ARG 5 -6.484 -5.264 4.598 45 1HD ARG 5 1HD ARG 5 -6.836 -4.832 1.605 46 2HD ARG 5 2HD ARG 5 -7.991 -5.641 2.648 47 HE ARG 5 HE ARG 5 -7.825 -2.915 2.086 48 1HH1 ARG 5 2HH2 ARG 5 -8.429 -4.971 4.914 49 2HH1 ARG 5 1HH2 ARG 5 -9.657 -3.949 5.558 50 1HH2 ARG 5 2HH1 ARG 5 -9.256 -1.516 2.980 51 2HH2 ARG 5 1HH1 ARG 5 -10.184 -1.935 4.408 52 H ILE 6 H ILE 6 -2.342 -2.616 3.869 53 HA ILE 6 HA ILE 6 -0.730 -3.460 1.617 54 HB ILE 6 HB ILE 6 -0.370 -1.170 3.629 55 1HG1 ILE 6 1HG1 ILE 6 -0.614 0.187 1.389 56 2HG1 ILE 6 2HG1 ILE 6 -1.310 -1.285 0.725 57 1HG2 ILE 6 1HG2 ILE 6 1.289 -1.738 1.121 58 2HG2 ILE 6 2HG2 ILE 6 1.426 -0.299 2.165 59 3HG2 ILE 6 3HG2 ILE 6 1.871 -1.872 2.788 60 1HD1 ILE 6 1HD1 ILE 6 -2.952 0.424 1.536 61 2HD1 ILE 6 2HD1 ILE 6 -3.143 -1.141 2.336 62 3HD1 ILE 6 3HD1 ILE 6 -2.333 0.214 3.182 63 H ARG 7 H ARG 7 -0.030 -3.219 5.161 64 HA ARG 7 HA ARG 7 2.625 -4.000 4.907 65 1HB ARG 7 1HB ARG 7 1.388 -2.966 6.879 66 2HB ARG 7 2HB ARG 7 0.801 -4.578 7.285 67 1HG ARG 7 1HG ARG 7 3.748 -4.177 7.006 68 2HG ARG 7 2HG ARG 7 2.918 -3.507 8.421 69 1HD ARG 7 1HD ARG 7 2.022 -5.668 9.042 70 2HD ARG 7 2HD ARG 7 2.589 -6.397 7.541 71 HE ARG 7 HE ARG 7 4.635 -6.613 8.329 72 1HH1 ARG 7 2HH2 ARG 7 2.905 -4.562 10.683 73 2HH1 ARG 7 1HH2 ARG 7 4.308 -4.324 11.678 74 1HH2 ARG 7 2HH1 ARG 7 6.354 -6.487 9.766 75 2HH2 ARG 7 1HH1 ARG 7 6.328 -5.461 11.169 76 H ALA 8 H ALA 8 -0.173 -6.120 5.616 77 HA ALA 8 HA ALA 8 1.288 -8.535 5.794 78 1HB ALA 8 1HB ALA 8 -1.042 -8.279 6.610 79 2HB ALA 8 2HB ALA 8 -1.613 -8.138 4.928 80 3HB ALA 8 3HB ALA 8 -0.882 -9.651 5.500 81 H ARG 9 H ARG 9 -0.364 -6.983 2.926 82 HA ARG 9 HA ARG 9 0.235 -9.246 1.243 83 1HB ARG 9 1HB ARG 9 -1.508 -7.297 1.019 84 2HB ARG 9 2HB ARG 9 -0.189 -6.430 0.269 85 1HG ARG 9 1HG ARG 9 -1.947 -8.601 -0.807 86 2HG ARG 9 2HG ARG 9 -1.325 -7.200 -1.528 87 1HD ARG 9 1HD ARG 9 0.945 -8.589 -1.518 88 2HD ARG 9 2HD ARG 9 -0.135 -9.952 -1.234 89 HE ARG 9 HE ARG 9 -0.507 -7.949 -3.386 90 1HH1 ARG 9 2HH2 ARG 9 -0.473 -11.468 -2.517 91 2HH1 ARG 9 1HH2 ARG 9 -0.563 -11.983 -4.159 92 1HH2 ARG 9 2HH1 ARG 9 -0.511 -8.754 -5.545 93 2HH2 ARG 9 1HH1 ARG 9 -0.810 -10.435 -5.895 94 H ARG 10 H ARG 10 2.011 -6.148 1.971 95 HA ARG 10 HA ARG 10 4.116 -6.540 0.160 96 1HB ARG 10 1HB ARG 10 3.719 -4.607 2.092 97 2HB ARG 10 2HB ARG 10 4.755 -5.671 2.976 98 1HG ARG 10 1HG ARG 10 6.530 -5.507 1.372 99 2HG ARG 10 2HG ARG 10 5.492 -4.775 0.152 100 1HD ARG 10 1HD ARG 10 7.112 -3.208 1.512 101 2HD ARG 10 2HD ARG 10 5.480 -2.707 1.165 102 HE ARG 10 HE ARG 10 4.870 -2.713 3.265 103 1HH1 ARG 10 2HH2 ARG 10 7.774 -4.867 3.234 104 2HH1 ARG 10 1HH2 ARG 10 7.830 -4.913 4.953 105 1HH2 ARG 10 2HH1 ARG 10 4.970 -2.899 5.390 106 2HH2 ARG 10 1HH1 ARG 10 6.037 -3.964 6.225 107 H ILE 11 H ILE 11 3.777 -7.843 3.483 108 HA ILE 11 HA ILE 11 6.279 -9.239 3.443 109 HB ILE 11 HB ILE 11 3.791 -9.421 5.160 110 1HG1 ILE 11 1HG1 ILE 11 5.020 -7.271 5.295 111 2HG1 ILE 11 2HG1 ILE 11 5.103 -8.158 6.791 112 1HG2 ILE 11 1HG2 ILE 11 5.217 -10.592 6.874 113 2HG2 ILE 11 2HG2 ILE 11 4.828 -11.567 5.458 114 3HG2 ILE 11 3HG2 ILE 11 6.442 -10.851 5.612 115 1HD1 ILE 11 1HD1 ILE 11 7.456 -8.863 6.141 116 2HD1 ILE 11 2HD1 ILE 11 7.308 -7.846 4.691 117 3HD1 ILE 11 3HD1 ILE 11 7.248 -7.112 6.293 118 H GLN 12 H GLN 12 2.989 -10.232 2.557 119 HA GLN 12 HA GLN 12 3.473 -12.952 1.963 120 1HB GLN 12 1HB GLN 12 1.393 -11.354 1.833 121 2HB GLN 12 2HB GLN 12 1.909 -11.056 0.177 122 1HG GLN 12 1HG GLN 12 1.589 -13.432 -0.349 123 2HG GLN 12 2HG GLN 12 1.044 -13.707 1.321 124 1HE2 GLN 12 1HE2 GLN 12 -0.782 -12.177 2.079 125 2HE2 GLN 12 2HE2 GLN 12 -1.887 -11.485 0.882 126 H LEU 13 H LEU 13 4.166 -10.058 0.078 127 HA LEU 13 HA LEU 13 5.495 -11.476 -2.110 128 1HB LEU 13 1HB LEU 13 4.079 -9.438 -2.385 129 2HB LEU 13 2HB LEU 13 5.261 -8.509 -1.472 130 HG LEU 13 HG LEU 13 6.941 -8.863 -3.257 131 1HD1 LEU 13 1HD1 LEU 13 6.233 -9.773 -5.451 132 2HD1 LEU 13 2HD1 LEU 13 6.200 -11.020 -4.206 133 3HD1 LEU 13 3HD1 LEU 13 4.680 -10.274 -4.748 134 1HD2 LEU 13 1HD2 LEU 13 5.428 -6.907 -3.261 135 2HD2 LEU 13 2HD2 LEU 13 5.886 -7.412 -4.898 136 3HD2 LEU 13 3HD2 LEU 13 4.272 -7.812 -4.273 137 H GLY 14 H GLY 14 6.382 -10.727 1.006 138 1HA GLY 14 1HA GLY 14 8.316 -10.964 2.168 139 2HA GLY 14 2HA GLY 14 9.152 -11.338 0.660 140 H LEU 15 H LEU 15 7.598 -8.359 0.260 141 HA LEU 15 HA LEU 15 10.307 -7.412 -0.190 142 1HB LEU 15 1HB LEU 15 7.494 -6.533 -0.852 143 2HB LEU 15 2HB LEU 15 8.660 -5.252 -0.701 144 HG LEU 15 HG LEU 15 8.640 -7.446 -2.742 145 1HD1 LEU 15 1HD1 LEU 15 7.347 -5.403 -3.154 146 2HD1 LEU 15 2HD1 LEU 15 8.798 -4.414 -2.892 147 3HD1 LEU 15 3HD1 LEU 15 8.716 -5.520 -4.265 148 1HD2 LEU 15 1HD2 LEU 15 11.060 -5.869 -1.889 149 2HD2 LEU 15 2HD2 LEU 15 10.908 -7.567 -2.337 150 3HD2 LEU 15 3HD2 LEU 15 10.815 -6.331 -3.594 151 H ASN 16 H ASN 16 11.023 -5.245 0.505 152 HA ASN 16 HA ASN 16 10.007 -4.491 3.211 153 1HB ASN 16 1HB ASN 16 11.875 -3.120 3.545 154 2HB ASN 16 2HB ASN 16 12.386 -4.724 3.160 155 1HD2 ASN 16 1HD2 ASN 16 14.070 -4.828 1.645 156 2HD2 ASN 16 2HD2 ASN 16 14.513 -3.446 0.640 157 H GLN 17 H GLN 17 10.107 -2.019 3.559 158 HA GLN 17 HA GLN 17 7.799 -1.154 2.105 159 1HB GLN 17 1HB GLN 17 9.553 0.201 4.191 160 2HB GLN 17 2HB GLN 17 8.017 0.841 3.597 161 1HG GLN 17 1HG GLN 17 6.811 -1.116 4.397 162 2HG GLN 17 2HG GLN 17 8.315 -1.938 4.859 163 1HE2 GLN 17 1HE2 GLN 17 6.898 1.178 5.355 164 2HE2 GLN 17 2HE2 GLN 17 7.097 1.303 7.129 165 H ALA 18 H ALA 18 11.278 -0.158 1.995 166 HA ALA 18 HA ALA 18 10.866 1.965 0.184 167 1HB ALA 18 1HB ALA 18 12.956 1.638 1.505 168 2HB ALA 18 2HB ALA 18 13.334 0.219 0.495 169 3HB ALA 18 3HB ALA 18 13.259 1.821 -0.233 170 H GLU 19 H GLU 19 11.636 -1.558 -0.380 171 HA GLU 19 HA GLU 19 11.733 -1.380 -3.159 172 1HB GLU 19 1HB GLU 19 10.902 -3.568 -1.214 173 2HB GLU 19 2HB GLU 19 11.091 -3.862 -2.935 174 1HG GLU 19 1HG GLU 19 13.399 -2.486 -1.594 175 2HG GLU 19 2HG GLU 19 13.037 -4.128 -1.105 176 H LEU 20 H LEU 20 8.836 -2.018 -1.082 177 HA LEU 20 HA LEU 20 7.020 -2.310 -3.283 178 1HB LEU 20 1HB LEU 20 6.337 -2.914 -1.035 179 2HB LEU 20 2HB LEU 20 6.538 -1.249 -0.471 180 HG LEU 20 HG LEU 20 4.693 -0.484 -1.950 181 1HD1 LEU 20 1HD1 LEU 20 3.186 -2.219 -2.995 182 2HD1 LEU 20 2HD1 LEU 20 4.759 -2.024 -3.759 183 3HD1 LEU 20 3HD1 LEU 20 4.460 -3.430 -2.693 184 1HD2 LEU 20 1HD2 LEU 20 3.766 -2.834 -0.263 185 2HD2 LEU 20 2HD2 LEU 20 4.115 -1.191 0.338 186 3HD2 LEU 20 3HD2 LEU 20 2.803 -1.448 -0.806 187 H ALA 21 H ALA 21 8.247 0.538 -1.477 188 HA ALA 21 HA ALA 21 6.545 2.405 -2.651 189 1HB ALA 21 1HB ALA 21 8.112 2.761 -0.666 190 2HB ALA 21 2HB ALA 21 9.440 2.939 -1.822 191 3HB ALA 21 3HB ALA 21 8.090 4.041 -1.879 192 H GLN 22 H GLN 22 9.851 1.476 -3.644 193 HA GLN 22 HA GLN 22 9.984 3.436 -5.666 194 1HB GLN 22 1HB GLN 22 11.605 0.907 -5.161 195 2HB GLN 22 2HB GLN 22 12.026 2.116 -6.393 196 1HG GLN 22 1HG GLN 22 12.182 3.876 -4.717 197 2HG GLN 22 2HG GLN 22 11.631 2.820 -3.444 198 1HE2 GLN 22 1HE2 GLN 22 14.387 3.755 -5.378 199 2HE2 GLN 22 2HE2 GLN 22 15.569 2.737 -4.571 200 H LYS 23 H LYS 23 8.890 -0.015 -5.886 201 HA LYS 23 HA LYS 23 8.620 0.189 -8.744 202 1HB LYS 23 1HB LYS 23 8.919 -1.914 -8.644 203 2HB LYS 23 2HB LYS 23 9.067 -1.869 -6.922 204 1HG LYS 23 1HG LYS 23 6.451 -2.419 -8.376 205 2HG LYS 23 2HG LYS 23 7.577 -3.637 -7.813 206 1HD LYS 23 1HD LYS 23 7.240 -3.104 -5.517 207 2HD LYS 23 2HD LYS 23 6.445 -1.575 -5.912 208 1HE LYS 23 1HE LYS 23 4.781 -3.253 -5.208 209 2HE LYS 23 2HE LYS 23 4.527 -2.689 -6.841 210 1HZ LYS 23 1HZ LYS 23 5.524 -4.720 -7.667 211 2HZ LYS 23 2HZ LYS 23 5.904 -5.245 -6.201 212 3HZ LYS 23 3HZ LYS 23 4.299 -5.086 -6.673 213 H VAL 24 H VAL 24 6.779 1.529 -6.308 214 HA VAL 24 HA VAL 24 4.377 1.600 -8.071 215 HB VAL 24 HB VAL 24 4.785 2.646 -5.243 216 1HG1 VAL 24 1HG1 VAL 24 3.012 3.864 -6.435 217 2HG1 VAL 24 2HG1 VAL 24 2.263 2.330 -6.903 218 3HG1 VAL 24 3HG1 VAL 24 2.337 2.820 -5.188 219 1HG2 VAL 24 1HG2 VAL 24 3.634 0.779 -4.372 220 2HG2 VAL 24 2HG2 VAL 24 2.985 0.319 -5.953 221 3HG2 VAL 24 3HG2 VAL 24 4.659 0.007 -5.588 222 H GLY 25 H GLY 25 7.110 3.480 -6.794 223 1HA GLY 25 1HA GLY 25 7.933 5.373 -8.071 224 2HA GLY 25 2HA GLY 25 6.278 5.876 -8.375 225 H VAL 26 H VAL 26 6.403 4.779 -5.146 226 HA VAL 26 HA VAL 26 6.369 7.572 -4.229 227 HB VAL 26 HB VAL 26 5.025 6.780 -2.487 228 1HG1 VAL 26 1HG1 VAL 26 3.873 7.132 -4.666 229 2HG1 VAL 26 2HG1 VAL 26 4.065 5.408 -5.040 230 3HG1 VAL 26 3HG1 VAL 26 3.073 5.896 -3.677 231 1HG2 VAL 26 1HG2 VAL 26 5.341 3.938 -3.470 232 2HG2 VAL 26 2HG2 VAL 26 5.956 4.600 -1.929 233 3HG2 VAL 26 3HG2 VAL 26 4.224 4.481 -2.207 234 H ASP 27 H ASP 27 7.181 7.650 -1.661 235 HA ASP 27 HA ASP 27 9.943 6.677 -1.699 236 1HB ASP 27 1HB ASP 27 9.519 7.988 0.679 237 2HB ASP 27 2HB ASP 27 10.193 8.710 -0.779 238 H GLN 28 H GLN 28 10.625 5.591 0.330 239 HA GLN 28 HA GLN 28 9.088 3.419 1.262 240 1HB GLN 28 1HB GLN 28 11.554 3.743 1.590 241 2HB GLN 28 2HB GLN 28 11.200 5.081 2.672 242 1HG GLN 28 1HG GLN 28 9.852 3.214 4.047 243 2HG GLN 28 2HG GLN 28 10.948 2.140 3.186 244 1HE2 GLN 28 1HE2 GLN 28 10.613 3.990 5.991 245 2HE2 GLN 28 2HE2 GLN 28 12.318 4.217 6.355 246 H GLN 29 H GLN 29 9.328 6.788 2.469 247 HA GLN 29 HA GLN 29 7.852 6.402 4.771 248 1HB GLN 29 1HB GLN 29 9.184 8.523 3.689 249 2HB GLN 29 2HB GLN 29 7.520 9.086 3.526 250 1HG GLN 29 1HG GLN 29 7.120 8.685 5.919 251 2HG GLN 29 2HG GLN 29 8.713 7.926 6.101 252 1HE2 GLN 29 1HE2 GLN 29 8.016 10.037 7.762 253 2HE2 GLN 29 2HE2 GLN 29 8.944 11.476 7.284 254 H ALA 30 H ALA 30 6.619 7.240 1.452 255 HA ALA 30 HA ALA 30 3.920 7.530 2.182 256 1HB ALA 30 1HB ALA 30 4.710 8.094 -0.043 257 2HB ALA 30 2HB ALA 30 5.120 6.385 -0.338 258 3HB ALA 30 3HB ALA 30 3.426 6.877 -0.157 259 H ILE 31 H ILE 31 5.822 4.500 1.804 260 HA ILE 31 HA ILE 31 3.443 2.832 2.092 261 HB ILE 31 HB ILE 31 6.392 2.149 2.418 262 1HG1 ILE 31 1HG1 ILE 31 6.154 2.910 0.216 263 2HG1 ILE 31 2HG1 ILE 31 6.151 1.162 0.145 264 1HG2 ILE 31 1HG2 ILE 31 3.951 0.360 2.121 265 2HG2 ILE 31 2HG2 ILE 31 5.640 -0.190 1.998 266 3HG2 ILE 31 3HG2 ILE 31 5.027 0.473 3.515 267 1HD1 ILE 31 1HD1 ILE 31 3.775 3.032 -0.214 268 2HD1 ILE 31 2HD1 ILE 31 4.529 1.986 -1.422 269 3HD1 ILE 31 3HD1 ILE 31 3.626 1.264 -0.072 270 H GLU 32 H GLU 32 6.006 4.082 4.278 271 HA GLU 32 HA GLU 32 5.158 2.754 6.658 272 1HB GLU 32 1HB GLU 32 7.246 3.842 6.732 273 2HB GLU 32 2HB GLU 32 6.611 5.354 6.090 274 1HG GLU 32 1HG GLU 32 5.559 5.982 8.098 275 2HG GLU 32 2HG GLU 32 5.621 4.334 8.736 276 H GLN 33 H GLN 33 4.150 5.943 5.333 277 HA GLN 33 HA GLN 33 2.348 6.442 7.447 278 1HB GLN 33 1HB GLN 33 1.558 8.276 6.321 279 2HB GLN 33 2HB GLN 33 3.233 8.144 5.799 280 1HG GLN 33 1HG GLN 33 2.509 7.146 3.711 281 2HG GLN 33 2HG GLN 33 0.825 7.126 4.219 282 1HE2 GLN 33 1HE2 GLN 33 3.471 9.396 3.147 283 2HE2 GLN 33 2HE2 GLN 33 2.307 10.638 2.788 284 H LEU 34 H LEU 34 1.915 4.627 4.378 285 HA LEU 34 HA LEU 34 -0.919 4.458 4.554 286 1HB LEU 34 1HB LEU 34 1.332 3.276 2.997 287 2HB LEU 34 2HB LEU 34 0.021 2.156 3.227 288 HG LEU 34 HG LEU 34 -0.408 5.009 2.323 289 1HD1 LEU 34 1HD1 LEU 34 -0.063 2.498 0.603 290 2HD1 LEU 34 2HD1 LEU 34 -0.546 4.105 0.007 291 3HD1 LEU 34 3HD1 LEU 34 1.073 3.860 0.698 292 1HD2 LEU 34 1HD2 LEU 34 -2.554 4.258 1.501 293 2HD2 LEU 34 2HD2 LEU 34 -2.163 2.562 1.855 294 3HD2 LEU 34 3HD2 LEU 34 -2.424 3.720 3.171 295 H GLU 35 H GLU 35 1.739 2.454 5.643 296 HA GLU 35 HA GLU 35 0.117 0.297 6.633 297 1HB GLU 35 1HB GLU 35 3.021 1.012 7.069 298 2HB GLU 35 2HB GLU 35 2.235 -0.434 7.750 299 1HG GLU 35 1HG GLU 35 1.480 -1.118 5.492 300 2HG GLU 35 2HG GLU 35 2.272 0.266 4.772 301 H ASN 36 H ASN 36 1.295 3.296 8.247 302 HA ASN 36 HA ASN 36 0.048 2.418 10.726 303 1HB ASN 36 1HB ASN 36 1.053 4.071 11.755 304 2HB ASN 36 2HB ASN 36 2.177 3.906 10.444 305 1HD2 ASN 36 1HD2 ASN 36 2.753 5.852 9.472 306 2HD2 ASN 36 2HD2 ASN 36 1.949 7.358 9.808 307 H GLY 37 H GLY 37 -1.143 3.510 7.826 308 1HA GLY 37 1HA GLY 37 -3.346 3.662 7.259 309 2HA GLY 37 2HA GLY 37 -3.799 3.957 8.928 310 H LYS 38 H LYS 38 -1.214 6.055 7.894 311 HA LYS 38 HA LYS 38 -2.863 8.352 8.338 312 1HB LYS 38 1HB LYS 38 -0.754 8.163 9.349 313 2HB LYS 38 2HB LYS 38 0.033 7.585 7.903 314 1HG LYS 38 1HG LYS 38 0.826 9.668 8.447 315 2HG LYS 38 2HG LYS 38 -0.065 9.770 6.907 316 1HD LYS 38 1HD LYS 38 -1.884 10.965 7.925 317 2HD LYS 38 2HD LYS 38 -1.439 10.373 9.523 318 1HE LYS 38 1HE LYS 38 0.674 11.808 9.320 319 2HE LYS 38 2HE LYS 38 -0.108 12.574 7.925 320 1HZ LYS 38 1HZ LYS 38 -1.181 12.452 10.687 321 2HZ LYS 38 2HZ LYS 38 -0.535 13.776 9.963 322 3HZ LYS 38 3HZ LYS 38 -1.956 13.148 9.413 323 H ALA 39 H ALA 39 -1.948 6.524 5.362 324 HA ALA 39 HA ALA 39 -3.335 8.752 3.954 325 1HB ALA 39 1HB ALA 39 -1.205 8.164 2.894 326 2HB ALA 39 2HB ALA 39 -1.744 6.477 2.820 327 3HB ALA 39 3HB ALA 39 -2.607 7.725 1.905 328 H LYS 40 H LYS 40 -5.407 8.212 4.889 329 HA LYS 40 HA LYS 40 -6.490 5.600 4.530 330 1HB LYS 40 1HB LYS 40 -7.532 7.372 5.972 331 2HB LYS 40 2HB LYS 40 -8.082 8.210 4.521 332 1HG LYS 40 1HG LYS 40 -9.763 6.720 5.708 333 2HG LYS 40 2HG LYS 40 -9.598 6.446 3.978 334 1HD LYS 40 1HD LYS 40 -8.425 4.388 4.289 335 2HD LYS 40 2HD LYS 40 -8.083 4.753 5.979 336 1HE LYS 40 1HE LYS 40 -9.829 3.124 6.001 337 2HE LYS 40 2HE LYS 40 -10.564 4.664 6.445 338 1HZ LYS 40 1HZ LYS 40 -10.764 3.312 3.830 339 2HZ LYS 40 2HZ LYS 40 -11.977 3.618 4.912 340 3HZ LYS 40 3HZ LYS 40 -11.296 4.837 4.073 341 H ARG 41 H ARG 41 -6.422 8.458 2.273 342 HA ARG 41 HA ARG 41 -6.778 6.486 0.171 343 1HB ARG 41 1HB ARG 41 -7.865 9.008 -0.561 344 2HB ARG 41 2HB ARG 41 -8.509 7.380 -0.795 345 1HG ARG 41 1HG ARG 41 -10.181 8.427 0.439 346 2HG ARG 41 2HG ARG 41 -9.293 7.650 1.721 347 1HD ARG 41 1HD ARG 41 -9.581 9.813 2.561 348 2HD ARG 41 2HD ARG 41 -7.969 9.964 1.831 349 HE ARG 41 HE ARG 41 -10.022 10.519 -0.090 350 1HH1 ARG 41 2HH2 ARG 41 -8.283 12.056 2.591 351 2HH1 ARG 41 1HH2 ARG 41 -8.718 13.662 2.159 352 1HH2 ARG 41 2HH1 ARG 41 -10.920 12.511 -0.412 353 2HH2 ARG 41 1HH1 ARG 41 -10.190 13.974 0.187 354 HA PRO 42 HA PRO 42 -2.872 8.818 -0.297 355 1HB PRO 42 1HB PRO 42 -1.553 6.959 -1.792 356 2HB PRO 42 2HB PRO 42 -1.687 6.796 -0.014 357 1HG PRO 42 1HG PRO 42 -3.341 5.481 -2.168 358 2HG PRO 42 2HG PRO 42 -2.644 4.714 -0.723 359 1HD PRO 42 1HD PRO 42 -5.261 5.564 -0.867 360 2HD PRO 42 2HD PRO 42 -4.391 5.539 0.645 361 H ARG 43 H ARG 43 -2.189 9.999 -2.180 362 HA ARG 43 HA ARG 43 -4.017 10.415 -4.240 363 1HB ARG 43 1HB ARG 43 -2.258 11.567 -5.435 364 2HB ARG 43 2HB ARG 43 -2.275 11.991 -3.726 365 1HG ARG 43 1HG ARG 43 -0.257 10.642 -3.321 366 2HG ARG 43 2HG ARG 43 -0.266 10.092 -5.016 367 1HD ARG 43 1HD ARG 43 -0.074 12.399 -5.782 368 2HD ARG 43 2HD ARG 43 0.071 12.969 -4.107 369 HE ARG 43 HE ARG 43 2.092 11.174 -4.197 370 1HH1 ARG 43 2HH2 ARG 43 1.231 13.648 -6.632 371 2HH1 ARG 43 1HH2 ARG 43 2.864 13.824 -7.174 372 1HH2 ARG 43 2HH1 ARG 43 4.198 11.582 -4.800 373 2HH2 ARG 43 1HH1 ARG 43 4.600 12.470 -6.225 374 H PHE 44 H PHE 44 -1.273 8.229 -4.235 375 HA PHE 44 HA PHE 44 -1.557 7.392 -6.977 376 1HB PHE 44 1HB PHE 44 0.529 6.128 -6.354 377 2HB PHE 44 2HB PHE 44 0.606 7.852 -6.046 378 HD1 PHE 44 1HD PHE 44 1.215 8.649 -3.837 379 HD2 PHE 44 2HD PHE 44 -0.100 4.594 -4.380 380 HE1 PHE 44 1HE PHE 44 1.648 8.192 -1.446 381 HE2 PHE 44 2HE PHE 44 0.346 4.124 -2.009 382 HZ PHE 44 HZ PHE 44 1.176 5.905 -0.501 383 H LEU 45 H LEU 45 -3.593 6.514 -4.656 384 HA LEU 45 HA LEU 45 -3.371 3.903 -3.941 385 1HB LEU 45 1HB LEU 45 -5.319 5.776 -3.707 386 2HB LEU 45 2HB LEU 45 -6.101 4.757 -4.881 387 HG LEU 45 HG LEU 45 -5.117 3.835 -2.122 388 1HD1 LEU 45 1HD1 LEU 45 -7.065 5.431 -2.071 389 2HD1 LEU 45 2HD1 LEU 45 -7.944 4.347 -3.138 390 3HD1 LEU 45 3HD1 LEU 45 -7.479 3.803 -1.509 391 1HD2 LEU 45 1HD2 LEU 45 -4.975 1.990 -3.380 392 2HD2 LEU 45 2HD2 LEU 45 -6.540 1.908 -2.541 393 3HD2 LEU 45 3HD2 LEU 45 -6.475 2.336 -4.264 394 HA PRO 46 HA PRO 46 -5.250 1.968 -7.846 395 1HB PRO 46 1HB PRO 46 -5.067 3.183 -10.295 396 2HB PRO 46 2HB PRO 46 -6.447 3.424 -9.178 397 1HG PRO 46 1HG PRO 46 -3.986 5.165 -9.472 398 2HG PRO 46 2HG PRO 46 -5.702 5.675 -9.508 399 1HD PRO 46 1HD PRO 46 -4.288 5.893 -7.266 400 2HD PRO 46 2HD PRO 46 -5.954 5.270 -7.167 401 H GLU 47 H GLU 47 -2.276 3.898 -8.165 402 HA GLU 47 HA GLU 47 -0.939 1.976 -9.914 403 1HB GLU 47 1HB GLU 47 -0.128 4.469 -8.379 404 2HB GLU 47 2HB GLU 47 1.101 3.326 -8.880 405 1HG GLU 47 1HG GLU 47 -0.612 3.801 -11.163 406 2HG GLU 47 2HG GLU 47 -0.197 5.356 -10.447 407 H LEU 48 H LEU 48 -0.982 2.771 -6.354 408 HA LEU 48 HA LEU 48 0.929 0.714 -5.767 409 1HB LEU 48 1HB LEU 48 0.337 2.557 -4.237 410 2HB LEU 48 2HB LEU 48 -1.213 1.812 -3.914 411 HG LEU 48 HG LEU 48 1.153 -0.027 -3.636 412 1HD1 LEU 48 1HD1 LEU 48 0.900 2.114 -1.526 413 2HD1 LEU 48 2HD1 LEU 48 2.066 0.794 -1.644 414 3HD1 LEU 48 3HD1 LEU 48 2.140 2.121 -2.806 415 1HD2 LEU 48 1HD2 LEU 48 -1.156 0.664 -1.766 416 2HD2 LEU 48 2HD2 LEU 48 -1.025 -0.749 -2.848 417 3HD2 LEU 48 3HD2 LEU 48 0.064 -0.593 -1.469 418 H ALA 49 H ALA 49 -2.603 0.744 -5.909 419 HA ALA 49 HA ALA 49 -2.909 -1.946 -4.985 420 1HB ALA 49 1HB ALA 49 -5.163 -1.837 -5.930 421 2HB ALA 49 2HB ALA 49 -4.822 -0.196 -5.365 422 3HB ALA 49 3HB ALA 49 -4.701 -0.572 -7.079 423 H ARG 50 H ARG 50 -2.722 -0.802 -8.433 424 HA ARG 50 HA ARG 50 -2.784 -3.449 -9.438 425 1HB ARG 50 1HB ARG 50 -3.349 -1.452 -10.699 426 2HB ARG 50 2HB ARG 50 -1.701 -0.851 -10.612 427 1HG ARG 50 1HG ARG 50 -2.237 -3.593 -11.793 428 2HG ARG 50 2HG ARG 50 -2.713 -2.169 -12.718 429 1HD ARG 50 1HD ARG 50 0.114 -2.704 -11.727 430 2HD ARG 50 2HD ARG 50 -0.456 -2.985 -13.366 431 HE ARG 50 HE ARG 50 -1.090 -0.527 -13.386 432 1HH1 ARG 50 2HH2 ARG 50 1.760 -1.589 -11.506 433 2HH1 ARG 50 1HH2 ARG 50 2.192 0.034 -11.066 434 1HH2 ARG 50 2HH1 ARG 50 -0.285 1.530 -13.134 435 2HH2 ARG 50 1HH1 ARG 50 1.096 1.840 -12.127 436 H ALA 51 H ALA 51 0.051 -1.354 -8.503 437 HA ALA 51 HA ALA 51 1.936 -3.303 -9.351 438 1HB ALA 51 1HB ALA 51 2.437 -1.305 -7.147 439 2HB ALA 51 2HB ALA 51 3.591 -1.957 -8.322 440 3HB ALA 51 3HB ALA 51 2.384 -0.799 -8.850 441 H LEU 52 H LEU 52 0.030 -2.998 -6.300 442 HA LEU 52 HA LEU 52 1.643 -5.012 -4.951 443 1HB LEU 52 1HB LEU 52 0.487 -3.188 -3.845 444 2HB LEU 52 2HB LEU 52 -1.078 -3.899 -4.248 445 HG LEU 52 HG LEU 52 -0.549 -5.750 -2.765 446 1HD1 LEU 52 1HD1 LEU 52 2.211 -4.494 -2.376 447 2HD1 LEU 52 2HD1 LEU 52 1.543 -5.769 -1.339 448 3HD1 LEU 52 3HD1 LEU 52 1.862 -6.109 -3.038 449 1HD2 LEU 52 1HD2 LEU 52 -1.391 -3.619 -1.799 450 2HD2 LEU 52 2HD2 LEU 52 -0.370 -4.469 -0.627 451 3HD2 LEU 52 3HD2 LEU 52 0.282 -3.085 -1.521 452 H GLY 53 H GLY 53 -1.089 -4.945 -7.139 453 1HA GLY 53 1HA GLY 53 -1.957 -6.701 -8.368 454 2HA GLY 53 2HA GLY 53 -1.172 -7.881 -7.314 455 H VAL 54 H VAL 54 -3.288 -5.097 -6.438 456 HA VAL 54 HA VAL 54 -5.513 -6.914 -5.802 457 HB VAL 54 HB VAL 54 -5.890 -5.970 -3.624 458 1HG1 VAL 54 1HG1 VAL 54 -4.337 -7.894 -3.727 459 2HG1 VAL 54 2HG1 VAL 54 -2.952 -6.780 -3.706 460 3HG1 VAL 54 3HG1 VAL 54 -4.064 -6.871 -2.324 461 1HG2 VAL 54 1HG2 VAL 54 -5.155 -3.733 -3.806 462 2HG2 VAL 54 2HG2 VAL 54 -4.138 -4.474 -2.561 463 3HG2 VAL 54 3HG2 VAL 54 -3.482 -4.217 -4.182 464 H ALA 55 H ALA 55 -7.496 -5.365 -5.240 465 HA ALA 55 HA ALA 55 -7.646 -3.306 -7.360 466 1HB ALA 55 1HB ALA 55 -9.644 -4.624 -5.472 467 2HB ALA 55 2HB ALA 55 -10.079 -3.241 -6.484 468 3HB ALA 55 3HB ALA 55 -9.533 -4.735 -7.239 469 H VAL 56 H VAL 56 -8.489 -1.119 -6.819 470 HA VAL 56 HA VAL 56 -7.552 0.210 -4.374 471 HB VAL 56 HB VAL 56 -9.597 0.857 -6.601 472 1HG1 VAL 56 1HG1 VAL 56 -8.636 2.627 -4.364 473 2HG1 VAL 56 2HG1 VAL 56 -9.371 3.257 -5.855 474 3HG1 VAL 56 3HG1 VAL 56 -10.284 2.183 -4.794 475 1HG2 VAL 56 1HG2 VAL 56 -6.749 1.851 -6.309 476 2HG2 VAL 56 2HG2 VAL 56 -7.365 0.753 -7.554 477 3HG2 VAL 56 3HG2 VAL 56 -7.925 2.425 -7.506 478 H ASP 57 H ASP 57 -10.545 -1.377 -5.615 479 HA ASP 57 HA ASP 57 -12.113 -0.684 -3.324 480 1HB ASP 57 1HB ASP 57 -12.898 -1.633 -5.582 481 2HB ASP 57 2HB ASP 57 -12.395 -3.222 -5.005 482 H TRP 58 H TRP 58 -9.972 -3.484 -3.978 483 HA TRP 58 HA TRP 58 -10.407 -4.783 -1.452 484 1HB TRP 58 1HB TRP 58 -9.217 -5.840 -3.403 485 2HB TRP 58 2HB TRP 58 -7.884 -4.721 -3.109 486 HD1 TRP 58 HD TRP 58 -9.467 -7.821 -1.857 487 HE1 TRP 58 1HE TRP 58 -8.003 -9.017 -0.108 488 HE3 TRP 58 3HE TRP 58 -5.950 -4.226 -1.241 489 HZ2 TRP 58 2HZ TRP 58 -5.492 -8.523 1.222 490 HZ3 TRP 58 3HZ TRP 58 -3.924 -4.661 0.166 491 HH2 TRP 58 HH TRP 58 -3.712 -6.806 1.399 492 H LEU 59 H LEU 59 -8.172 -2.186 -2.548 493 HA LEU 59 HA LEU 59 -6.868 -2.097 -0.014 494 1HB LEU 59 1HB LEU 59 -6.824 -0.358 -2.454 495 2HB LEU 59 2HB LEU 59 -6.386 0.372 -0.994 496 HG LEU 59 HG LEU 59 -5.203 -2.221 -2.080 497 1HD1 LEU 59 1HD1 LEU 59 -3.852 0.478 -1.762 498 2HD1 LEU 59 2HD1 LEU 59 -3.189 -1.009 -2.495 499 3HD1 LEU 59 3HD1 LEU 59 -4.522 -0.174 -3.273 500 1HD2 LEU 59 1HD2 LEU 59 -4.899 -2.470 0.287 501 2HD2 LEU 59 2HD2 LEU 59 -3.389 -1.807 -0.288 502 3HD2 LEU 59 3HD2 LEU 59 -4.589 -0.737 0.485 503 H LEU 60 H LEU 60 -9.533 -0.050 -1.240 504 HA LEU 60 HA LEU 60 -9.805 1.466 1.148 505 1HB LEU 60 1HB LEU 60 -11.674 0.718 -1.135 506 2HB LEU 60 2HB LEU 60 -12.210 1.738 0.179 507 HG LEU 60 HG LEU 60 -9.772 2.358 -1.577 508 1HD1 LEU 60 1HD1 LEU 60 -11.190 3.967 -2.747 509 2HD1 LEU 60 2HD1 LEU 60 -11.867 2.339 -2.891 510 3HD1 LEU 60 3HD1 LEU 60 -12.588 3.495 -1.752 511 1HD2 LEU 60 1HD2 LEU 60 -9.635 3.547 0.567 512 2HD2 LEU 60 2HD2 LEU 60 -10.059 4.681 -0.711 513 3HD2 LEU 60 3HD2 LEU 60 -11.320 4.097 0.391 514 H ASN 61 H ASN 61 -11.666 -1.334 0.001 515 HA ASN 61 HA ASN 61 -13.116 -1.513 2.547 516 1HB ASN 61 1HB ASN 61 -13.528 -2.993 -0.088 517 2HB ASN 61 2HB ASN 61 -14.585 -3.013 1.306 518 1HD2 ASN 61 1HD2 ASN 61 -14.323 -1.671 -1.667 519 2HD2 ASN 61 2HD2 ASN 61 -15.038 -0.089 -1.428 520 H GLY 62 H GLY 62 -11.162 -3.746 0.434 521 1HA GLY 62 1HA GLY 62 -9.780 -5.482 1.182 522 2HA GLY 62 2HA GLY 62 -10.387 -5.265 2.813 523 H ALA 63 H ALA 63 -11.721 -6.107 -0.383 524 HA ALA 63 HA ALA 63 -13.214 -7.651 -1.081 525 1HB ALA 63 1HB ALA 63 -11.238 -9.099 -0.878 526 2HB ALA 63 2HB ALA 63 -11.627 -9.420 0.829 527 3HB ALA 63 3HB ALA 63 -12.695 -10.000 -0.450 Start of MODEL 14 1 1H MET 0 H MET 0 -4.812 -5.434 12.846 2 HA MET 0 HA MET 0 -5.471 -5.937 10.063 3 1HB MET 0 1HB MET 0 -6.649 -6.749 12.148 4 2HB MET 0 2HB MET 0 -7.350 -5.138 12.324 5 1HG MET 0 1HG MET 0 -8.706 -5.419 10.437 6 2HG MET 0 2HG MET 0 -7.653 -6.644 9.733 7 1HE MET 0 1HE MET 0 -7.524 -9.035 10.187 8 2HE MET 0 2HE MET 0 -7.211 -8.932 11.931 9 3HE MET 0 3HE MET 0 -8.529 -9.950 11.319 10 H LEU 1 H LEU 1 -7.046 -4.572 8.988 11 HA LEU 1 HA LEU 1 -8.172 -2.611 8.272 12 1HB LEU 1 1HB LEU 1 -6.090 -0.961 9.748 13 2HB LEU 1 2HB LEU 1 -7.469 -0.342 8.893 14 HG LEU 1 HG LEU 1 -7.936 -2.198 11.248 15 1HD1 LEU 1 1HD1 LEU 1 -6.404 -0.439 12.021 16 2HD1 LEU 1 2HD1 LEU 1 -7.479 0.803 11.337 17 3HD1 LEU 1 3HD1 LEU 1 -8.027 -0.235 12.689 18 1HD2 LEU 1 1HD2 LEU 1 -9.521 0.062 9.944 19 2HD2 LEU 1 2HD2 LEU 1 -9.810 -1.687 9.745 20 3HD2 LEU 1 3HD2 LEU 1 -10.038 -0.915 11.321 21 H MET 2 H MET 2 -6.983 -0.466 7.055 22 HA MET 2 HA MET 2 -5.960 -1.549 4.719 23 1HB MET 2 1HB MET 2 -6.256 1.173 5.927 24 2HB MET 2 2HB MET 2 -5.091 1.047 4.608 25 1HG MET 2 1HG MET 2 -6.702 0.846 3.057 26 2HG MET 2 2HG MET 2 -7.502 -0.408 3.964 27 1HE MET 2 1HE MET 2 -6.762 3.344 4.836 28 2HE MET 2 2HE MET 2 -7.374 3.379 3.170 29 3HE MET 2 3HE MET 2 -8.323 4.112 4.485 30 H GLY 3 H GLY 3 -4.159 0.185 7.260 31 1HA GLY 3 1HA GLY 3 -1.611 0.050 6.176 32 2HA GLY 3 2HA GLY 3 -1.958 -0.010 7.918 33 H GLU 4 H GLU 4 -3.015 -2.380 8.476 34 HA GLU 4 HA GLU 4 -0.940 -4.238 8.098 35 1HB GLU 4 1HB GLU 4 -3.096 -4.000 9.777 36 2HB GLU 4 2HB GLU 4 -3.624 -5.352 8.774 37 1HG GLU 4 1HG GLU 4 -0.946 -5.108 10.199 38 2HG GLU 4 2HG GLU 4 -2.337 -5.944 10.858 39 H ARG 5 H ARG 5 -3.964 -3.791 6.240 40 HA ARG 5 HA ARG 5 -3.837 -6.193 4.684 41 1HB ARG 5 1HB ARG 5 -5.103 -3.489 4.377 42 2HB ARG 5 2HB ARG 5 -4.668 -4.263 2.866 43 1HG ARG 5 1HG ARG 5 -5.916 -6.318 3.736 44 2HG ARG 5 2HG ARG 5 -6.574 -5.241 4.985 45 1HD ARG 5 1HD ARG 5 -6.769 -4.784 1.980 46 2HD ARG 5 2HD ARG 5 -8.012 -5.580 2.938 47 HE ARG 5 HE ARG 5 -7.642 -2.808 2.562 48 1HH1 ARG 5 2HH2 ARG 5 -8.775 -5.036 5.185 49 2HH1 ARG 5 1HH2 ARG 5 -9.892 -3.877 5.763 50 1HH2 ARG 5 2HH1 ARG 5 -9.108 -1.370 3.411 51 2HH2 ARG 5 1HH1 ARG 5 -10.056 -1.749 4.810 52 H ILE 6 H ILE 6 -2.395 -2.966 4.131 53 HA ILE 6 HA ILE 6 -0.939 -3.652 1.786 54 HB ILE 6 HB ILE 6 -0.459 -1.523 3.921 55 1HG1 ILE 6 1HG1 ILE 6 -1.536 -0.988 1.146 56 2HG1 ILE 6 2HG1 ILE 6 -2.632 -1.606 2.377 57 1HG2 ILE 6 1HG2 ILE 6 0.918 -0.340 2.210 58 2HG2 ILE 6 2HG2 ILE 6 1.644 -1.849 2.730 59 3HG2 ILE 6 3HG2 ILE 6 0.811 -1.773 1.160 60 1HD1 ILE 6 1HD1 ILE 6 -2.051 0.280 3.879 61 2HD1 ILE 6 2HD1 ILE 6 -1.035 0.934 2.584 62 3HD1 ILE 6 3HD1 ILE 6 -2.789 0.783 2.350 63 H ARG 7 H ARG 7 0.137 -3.494 5.241 64 HA ARG 7 HA ARG 7 2.748 -4.314 4.725 65 1HB ARG 7 1HB ARG 7 1.779 -3.378 6.893 66 2HB ARG 7 2HB ARG 7 1.146 -4.985 7.223 67 1HG ARG 7 1HG ARG 7 3.823 -5.559 6.688 68 2HG ARG 7 2HG ARG 7 3.940 -3.922 7.325 69 1HD ARG 7 1HD ARG 7 4.216 -5.476 9.129 70 2HD ARG 7 2HD ARG 7 2.669 -4.652 9.347 71 HE ARG 7 HE ARG 7 1.487 -6.604 8.637 72 1HH1 ARG 7 2HH2 ARG 7 4.941 -7.284 9.140 73 2HH1 ARG 7 1HH2 ARG 7 4.681 -8.983 9.299 74 1HH2 ARG 7 2HH1 ARG 7 1.140 -8.693 8.943 75 2HH2 ARG 7 1HH1 ARG 7 2.455 -9.849 9.158 76 H ALA 8 H ALA 8 -0.068 -6.346 5.631 77 HA ALA 8 HA ALA 8 1.317 -8.829 5.715 78 1HB ALA 8 1HB ALA 8 -1.649 -8.282 5.245 79 2HB ALA 8 2HB ALA 8 -0.928 -9.845 5.674 80 3HB ALA 8 3HB ALA 8 -0.856 -8.500 6.823 81 H ARG 9 H ARG 9 -0.507 -7.161 3.077 82 HA ARG 9 HA ARG 9 -0.136 -9.338 1.225 83 1HB ARG 9 1HB ARG 9 -1.924 -7.804 0.961 84 2HB ARG 9 2HB ARG 9 -0.829 -6.413 0.912 85 1HG ARG 9 1HG ARG 9 -1.673 -6.870 -1.263 86 2HG ARG 9 2HG ARG 9 0.074 -7.190 -1.190 87 1HD ARG 9 1HD ARG 9 -0.367 -9.607 -1.128 88 2HD ARG 9 2HD ARG 9 -2.109 -9.266 -1.249 89 HE ARG 9 HE ARG 9 -0.478 -7.970 -3.331 90 1HH1 ARG 9 2HH2 ARG 9 -2.347 -10.937 -2.499 91 2HH1 ARG 9 1HH2 ARG 9 -2.881 -11.133 -4.158 92 1HH2 ARG 9 2HH1 ARG 9 -0.834 -8.598 -5.438 93 2HH2 ARG 9 1HH1 ARG 9 -2.072 -9.773 -5.818 94 H ARG 10 H ARG 10 1.864 -6.391 2.002 95 HA ARG 10 HA ARG 10 3.941 -6.959 0.218 96 1HB ARG 10 1HB ARG 10 3.549 -5.110 2.342 97 2HB ARG 10 2HB ARG 10 4.760 -6.179 2.953 98 1HG ARG 10 1HG ARG 10 6.321 -5.589 1.283 99 2HG ARG 10 2HG ARG 10 5.086 -5.071 0.151 100 1HD ARG 10 1HD ARG 10 6.459 -3.179 1.237 101 2HD ARG 10 2HD ARG 10 4.723 -3.056 1.170 102 HE ARG 10 HE ARG 10 4.772 -2.568 3.299 103 1HH1 ARG 10 2HH2 ARG 10 7.070 -5.455 3.154 104 2HH1 ARG 10 1HH2 ARG 10 7.086 -5.428 4.888 105 1HH2 ARG 10 2HH1 ARG 10 4.990 -2.779 5.420 106 2HH2 ARG 10 1HH1 ARG 10 6.037 -3.964 6.162 107 H ILE 11 H ILE 11 3.359 -8.407 3.519 108 HA ILE 11 HA ILE 11 5.623 -10.123 3.396 109 HB ILE 11 HB ILE 11 3.045 -10.756 4.868 110 1HG1 ILE 11 1HG1 ILE 11 3.582 -8.664 5.783 111 2HG1 ILE 11 2HG1 ILE 11 4.250 -9.819 6.887 112 1HG2 ILE 11 1HG2 ILE 11 5.918 -11.647 5.303 113 2HG2 ILE 11 2HG2 ILE 11 4.567 -12.007 6.400 114 3HG2 ILE 11 3HG2 ILE 11 4.564 -12.654 4.767 115 1HD1 ILE 11 1HD1 ILE 11 6.523 -9.439 5.865 116 2HD1 ILE 11 2HD1 ILE 11 5.800 -8.157 4.861 117 3HD1 ILE 11 3HD1 ILE 11 5.800 -8.005 6.624 118 H GLN 12 H GLN 12 2.315 -10.581 2.161 119 HA GLN 12 HA GLN 12 2.595 -13.220 1.200 120 1HB GLN 12 1HB GLN 12 0.617 -11.365 1.379 121 2HB GLN 12 2HB GLN 12 0.957 -11.231 -0.337 122 1HG GLN 12 1HG GLN 12 0.637 -13.745 -0.490 123 2HG GLN 12 2HG GLN 12 0.101 -13.721 1.192 124 1HE2 GLN 12 1HE2 GLN 12 -2.174 -13.893 1.203 125 2HE2 GLN 12 2HE2 GLN 12 -3.212 -13.078 0.060 126 H LEU 13 H LEU 13 4.159 -10.482 0.174 127 HA LEU 13 HA LEU 13 5.162 -11.793 -2.321 128 1HB LEU 13 1HB LEU 13 3.902 -9.635 -2.638 129 2HB LEU 13 2HB LEU 13 5.108 -8.827 -1.646 130 HG LEU 13 HG LEU 13 6.844 -9.246 -3.330 131 1HD1 LEU 13 1HD1 LEU 13 6.156 -11.394 -4.286 132 2HD1 LEU 13 2HD1 LEU 13 4.650 -10.678 -4.905 133 3HD1 LEU 13 3HD1 LEU 13 6.222 -10.175 -5.567 134 1HD2 LEU 13 1HD2 LEU 13 5.998 -7.757 -5.021 135 2HD2 LEU 13 2HD2 LEU 13 4.314 -8.153 -4.615 136 3HD2 LEU 13 3HD2 LEU 13 5.314 -7.268 -3.458 137 H GLY 14 H GLY 14 5.847 -11.237 0.836 138 1HA GLY 14 1HA GLY 14 7.560 -11.169 2.241 139 2HA GLY 14 2HA GLY 14 8.552 -11.905 1.011 140 H LEU 15 H LEU 15 7.108 -8.782 0.337 141 HA LEU 15 HA LEU 15 9.860 -7.753 -0.056 142 1HB LEU 15 1HB LEU 15 7.080 -6.953 -0.924 143 2HB LEU 15 2HB LEU 15 8.172 -5.623 -0.604 144 HG LEU 15 HG LEU 15 8.507 -7.750 -2.707 145 1HD1 LEU 15 1HD1 LEU 15 8.474 -5.808 -4.196 146 2HD1 LEU 15 2HD1 LEU 15 7.028 -5.815 -3.180 147 3HD1 LEU 15 3HD1 LEU 15 8.355 -4.704 -2.807 148 1HD2 LEU 15 1HD2 LEU 15 10.594 -5.887 -1.578 149 2HD2 LEU 15 2HD2 LEU 15 10.729 -7.579 -2.059 150 3HD2 LEU 15 3HD2 LEU 15 10.613 -6.344 -3.303 151 H ASN 16 H ASN 16 10.386 -5.500 0.712 152 HA ASN 16 HA ASN 16 9.281 -4.829 3.388 153 1HB ASN 16 1HB ASN 16 11.231 -3.339 3.622 154 2HB ASN 16 2HB ASN 16 11.649 -5.008 3.496 155 1HD2 ASN 16 1HD2 ASN 16 12.949 -2.231 2.672 156 2HD2 ASN 16 2HD2 ASN 16 13.525 -2.527 1.041 157 H GLN 17 H GLN 17 9.229 -2.402 3.738 158 HA GLN 17 HA GLN 17 7.278 -1.225 2.186 159 1HB GLN 17 1HB GLN 17 9.414 -0.051 3.986 160 2HB GLN 17 2HB GLN 17 7.970 0.833 3.459 161 1HG GLN 17 1HG GLN 17 6.545 -0.809 4.603 162 2HG GLN 17 2HG GLN 17 7.965 -1.739 5.122 163 1HE2 GLN 17 1HE2 GLN 17 5.907 -0.309 6.642 164 2HE2 GLN 17 2HE2 GLN 17 6.686 0.983 7.612 165 H ALA 18 H ALA 18 10.856 -0.649 1.974 166 HA ALA 18 HA ALA 18 10.538 1.608 0.319 167 1HB ALA 18 1HB ALA 18 12.552 1.429 1.558 168 2HB ALA 18 2HB ALA 18 12.953 -0.156 0.848 169 3HB ALA 18 3HB ALA 18 12.997 1.318 -0.143 170 H GLU 19 H GLU 19 11.191 -1.914 -0.528 171 HA GLU 19 HA GLU 19 11.299 -1.428 -3.287 172 1HB GLU 19 1HB GLU 19 10.373 -3.713 -1.535 173 2HB GLU 19 2HB GLU 19 10.533 -3.890 -3.294 174 1HG GLU 19 1HG GLU 19 12.846 -2.732 -1.727 175 2HG GLU 19 2HG GLU 19 12.506 -4.416 -1.614 176 H LEU 20 H LEU 20 8.460 -1.937 -1.173 177 HA LEU 20 HA LEU 20 6.530 -2.035 -3.299 178 1HB LEU 20 1HB LEU 20 5.956 -2.689 -0.994 179 2HB LEU 20 2HB LEU 20 6.218 -1.036 -0.433 180 HG LEU 20 HG LEU 20 4.351 -0.249 -1.929 181 1HD1 LEU 20 1HD1 LEU 20 4.291 -1.906 -3.640 182 2HD1 LEU 20 2HD1 LEU 20 4.162 -3.239 -2.460 183 3HD1 LEU 20 3HD1 LEU 20 2.796 -2.131 -2.727 184 1HD2 LEU 20 1HD2 LEU 20 2.592 -0.844 -0.545 185 2HD2 LEU 20 2HD2 LEU 20 3.240 -2.446 -0.185 186 3HD2 LEU 20 3HD2 LEU 20 3.990 -0.984 0.506 187 H ALA 21 H ALA 21 8.112 0.596 -1.559 188 HA ALA 21 HA ALA 21 6.582 2.688 -2.723 189 1HB ALA 21 1HB ALA 21 9.474 2.920 -1.738 190 2HB ALA 21 2HB ALA 21 8.266 4.180 -1.871 191 3HB ALA 21 3HB ALA 21 8.085 2.900 -0.652 192 H GLN 22 H GLN 22 9.796 1.392 -3.567 193 HA GLN 22 HA GLN 22 10.517 3.415 -5.285 194 1HB GLN 22 1HB GLN 22 11.821 1.283 -4.255 195 2HB GLN 22 2HB GLN 22 11.478 0.590 -5.823 196 1HG GLN 22 1HG GLN 22 13.616 1.555 -6.019 197 2HG GLN 22 2HG GLN 22 12.549 2.694 -6.843 198 1HE2 GLN 22 1HE2 GLN 22 14.134 4.410 -6.524 199 2HE2 GLN 22 2HE2 GLN 22 14.463 5.082 -4.936 200 H LYS 23 H LYS 23 8.958 0.250 -6.073 201 HA LYS 23 HA LYS 23 8.988 0.829 -8.869 202 1HB LYS 23 1HB LYS 23 8.621 -1.285 -9.046 203 2HB LYS 23 2HB LYS 23 9.030 -1.416 -7.392 204 1HG LYS 23 1HG LYS 23 6.101 -1.158 -8.236 205 2HG LYS 23 2HG LYS 23 7.000 -2.640 -8.351 206 1HD LYS 23 1HD LYS 23 7.494 -2.598 -5.922 207 2HD LYS 23 2HD LYS 23 6.562 -1.108 -5.787 208 1HE LYS 23 1HE LYS 23 5.126 -3.006 -5.161 209 2HE LYS 23 2HE LYS 23 4.566 -2.281 -6.642 210 1HZ LYS 23 1HZ LYS 23 4.605 -4.705 -6.859 211 2HZ LYS 23 2HZ LYS 23 5.715 -4.087 -7.876 212 3HZ LYS 23 3HZ LYS 23 6.221 -4.756 -6.518 213 H VAL 24 H VAL 24 6.803 1.846 -6.384 214 HA VAL 24 HA VAL 24 4.575 2.175 -8.302 215 HB VAL 24 HB VAL 24 4.813 2.876 -5.347 216 1HG1 VAL 24 1HG1 VAL 24 2.381 2.721 -7.176 217 2HG1 VAL 24 2HG1 VAL 24 2.333 2.881 -5.405 218 3HG1 VAL 24 3HG1 VAL 24 3.016 4.180 -6.390 219 1HG2 VAL 24 1HG2 VAL 24 4.816 0.338 -5.976 220 2HG2 VAL 24 2HG2 VAL 24 3.491 0.865 -4.936 221 3HG2 VAL 24 3HG2 VAL 24 3.232 0.625 -6.683 222 H GLY 25 H GLY 25 7.345 3.854 -6.984 223 1HA GLY 25 1HA GLY 25 8.251 5.770 -8.065 224 2HA GLY 25 2HA GLY 25 6.634 6.278 -8.551 225 H VAL 26 H VAL 26 6.745 5.146 -5.264 226 HA VAL 26 HA VAL 26 6.522 7.921 -4.330 227 HB VAL 26 HB VAL 26 5.053 7.010 -2.685 228 1HG1 VAL 26 1HG1 VAL 26 4.176 7.448 -5.017 229 2HG1 VAL 26 2HG1 VAL 26 4.314 5.709 -5.333 230 3HG1 VAL 26 3HG1 VAL 26 3.236 6.292 -4.074 231 1HG2 VAL 26 1HG2 VAL 26 5.551 4.246 -3.770 232 2HG2 VAL 26 2HG2 VAL 26 6.040 4.854 -2.167 233 3HG2 VAL 26 3HG2 VAL 26 4.330 4.691 -2.569 234 H ASP 27 H ASP 27 7.038 7.905 -1.735 235 HA ASP 27 HA ASP 27 9.810 7.071 -1.500 236 1HB ASP 27 1HB ASP 27 9.083 8.229 0.868 237 2HB ASP 27 2HB ASP 27 9.885 9.003 -0.482 238 H GLN 28 H GLN 28 10.538 5.779 0.164 239 HA GLN 28 HA GLN 28 9.227 3.666 1.458 240 1HB GLN 28 1HB GLN 28 11.532 3.732 1.612 241 2HB GLN 28 2HB GLN 28 11.597 5.442 1.954 242 1HG GLN 28 1HG GLN 28 12.369 4.194 3.856 243 2HG GLN 28 2HG GLN 28 10.916 5.099 4.262 244 1HE2 GLN 28 1HE2 GLN 28 9.897 3.888 5.821 245 2HE2 GLN 28 2HE2 GLN 28 9.536 2.181 5.678 246 H GLN 29 H GLN 29 9.496 7.096 2.517 247 HA GLN 29 HA GLN 29 7.915 6.914 4.820 248 1HB GLN 29 1HB GLN 29 9.407 8.796 4.180 249 2HB GLN 29 2HB GLN 29 8.244 9.330 2.984 250 1HG GLN 29 1HG GLN 29 7.349 8.974 5.865 251 2HG GLN 29 2HG GLN 29 8.386 10.336 5.468 252 1HE2 GLN 29 1HE2 GLN 29 7.652 11.690 3.501 253 2HE2 GLN 29 2HE2 GLN 29 5.943 12.050 3.413 254 H ALA 30 H ALA 30 6.807 7.428 1.427 255 HA ALA 30 HA ALA 30 4.122 7.855 2.050 256 1HB ALA 30 1HB ALA 30 5.009 6.211 -0.341 257 2HB ALA 30 2HB ALA 30 3.599 7.264 -0.197 258 3HB ALA 30 3HB ALA 30 5.222 7.970 -0.280 259 H ILE 31 H ILE 31 5.918 4.724 1.778 260 HA ILE 31 HA ILE 31 3.464 3.205 2.149 261 HB ILE 31 HB ILE 31 6.363 2.346 2.434 262 1HG1 ILE 31 1HG1 ILE 31 6.140 3.071 0.228 263 2HG1 ILE 31 2HG1 ILE 31 5.991 1.333 0.180 264 1HG2 ILE 31 1HG2 ILE 31 3.795 0.716 2.187 265 2HG2 ILE 31 2HG2 ILE 31 5.441 0.053 2.056 266 3HG2 ILE 31 3HG2 ILE 31 4.900 0.771 3.569 267 1HD1 ILE 31 1HD1 ILE 31 3.771 3.394 -0.186 268 2HD1 ILE 31 2HD1 ILE 31 4.441 2.303 -1.395 269 3HD1 ILE 31 3HD1 ILE 31 3.472 1.640 -0.064 270 H GLU 32 H GLU 32 6.078 4.427 4.270 271 HA GLU 32 HA GLU 32 5.310 3.206 6.668 272 1HB GLU 32 1HB GLU 32 7.344 4.745 6.109 273 2HB GLU 32 2HB GLU 32 6.266 6.095 6.448 274 1HG GLU 32 1HG GLU 32 7.334 5.795 8.467 275 2HG GLU 32 2HG GLU 32 5.819 4.928 8.735 276 H GLN 33 H GLN 33 4.186 6.384 5.363 277 HA GLN 33 HA GLN 33 2.342 6.784 7.493 278 1HB GLN 33 1HB GLN 33 1.417 8.607 6.256 279 2HB GLN 33 2HB GLN 33 3.179 8.635 6.117 280 1HG GLN 33 1HG GLN 33 3.043 7.659 3.924 281 2HG GLN 33 2HG GLN 33 1.281 7.538 4.004 282 1HE2 GLN 33 1HE2 GLN 33 2.894 9.094 1.962 283 2HE2 GLN 33 2HE2 GLN 33 2.461 10.759 2.190 284 H LEU 34 H LEU 34 1.951 5.121 4.317 285 HA LEU 34 HA LEU 34 -0.889 4.850 4.520 286 1HB LEU 34 1HB LEU 34 1.356 3.856 2.853 287 2HB LEU 34 2HB LEU 34 0.134 2.657 3.069 288 HG LEU 34 HG LEU 34 -0.972 5.368 2.500 289 1HD1 LEU 34 1HD1 LEU 34 -0.433 5.245 0.077 290 2HD1 LEU 34 2HD1 LEU 34 0.971 5.538 1.093 291 3HD1 LEU 34 3HD1 LEU 34 0.692 3.911 0.423 292 1HD2 LEU 34 1HD2 LEU 34 -1.396 2.735 1.037 293 2HD2 LEU 34 2HD2 LEU 34 -2.261 3.194 2.530 294 3HD2 LEU 34 3HD2 LEU 34 -2.462 4.157 1.070 295 H GLU 35 H GLU 35 1.844 2.916 5.614 296 HA GLU 35 HA GLU 35 0.240 0.731 6.628 297 1HB GLU 35 1HB GLU 35 3.135 1.461 6.809 298 2HB GLU 35 2HB GLU 35 2.465 0.311 7.978 299 1HG GLU 35 1HG GLU 35 1.579 -1.112 6.233 300 2HG GLU 35 2HG GLU 35 2.028 0.016 4.966 301 H ASN 36 H ASN 36 1.396 3.819 8.147 302 HA ASN 36 HA ASN 36 0.218 3.302 10.679 303 1HB ASN 36 1HB ASN 36 1.191 5.661 9.034 304 2HB ASN 36 2HB ASN 36 0.358 5.910 10.529 305 1HD2 ASN 36 1HD2 ASN 36 3.207 6.516 9.831 306 2HD2 ASN 36 2HD2 ASN 36 4.133 5.517 10.934 307 H GLY 37 H GLY 37 -1.350 3.642 7.652 308 1HA GLY 37 1HA GLY 37 -3.502 4.166 7.054 309 2HA GLY 37 2HA GLY 37 -3.946 4.178 8.772 310 H LYS 38 H LYS 38 -1.322 6.290 7.834 311 HA LYS 38 HA LYS 38 -2.796 8.606 8.785 312 1HB LYS 38 1HB LYS 38 0.004 7.848 8.036 313 2HB LYS 38 2HB LYS 38 -0.445 9.478 7.600 314 1HG LYS 38 1HG LYS 38 -0.972 10.013 9.929 315 2HG LYS 38 2HG LYS 38 -0.761 8.313 10.386 316 1HD LYS 38 1HD LYS 38 1.235 9.573 11.010 317 2HD LYS 38 2HD LYS 38 1.606 8.374 9.783 318 1HE LYS 38 1HE LYS 38 2.788 10.425 9.282 319 2HE LYS 38 2HE LYS 38 1.579 10.157 8.026 320 1HZ LYS 38 1HZ LYS 38 1.673 12.459 8.877 321 2HZ LYS 38 2HZ LYS 38 0.206 11.816 8.992 322 3HZ LYS 38 3HZ LYS 38 1.167 11.935 10.351 323 H ALA 39 H ALA 39 -1.619 7.344 5.581 324 HA ALA 39 HA ALA 39 -3.067 9.532 4.199 325 1HB ALA 39 1HB ALA 39 -2.119 8.348 2.170 326 2HB ALA 39 2HB ALA 39 -0.910 9.038 3.281 327 3HB ALA 39 3HB ALA 39 -1.225 7.297 3.292 328 H LYS 40 H LYS 40 -5.216 9.117 4.536 329 HA LYS 40 HA LYS 40 -6.327 6.520 4.860 330 1HB LYS 40 1HB LYS 40 -7.157 8.684 5.793 331 2HB LYS 40 2HB LYS 40 -7.780 9.121 4.204 332 1HG LYS 40 1HG LYS 40 -8.619 6.606 5.729 333 2HG LYS 40 2HG LYS 40 -9.372 8.186 5.948 334 1HD LYS 40 1HD LYS 40 -9.767 8.130 3.374 335 2HD LYS 40 2HD LYS 40 -9.443 6.378 3.519 336 1HE LYS 40 1HE LYS 40 -11.154 6.404 5.457 337 2HE LYS 40 2HE LYS 40 -11.550 8.056 4.984 338 1HZ LYS 40 1HZ LYS 40 -13.081 6.533 4.052 339 2HZ LYS 40 2HZ LYS 40 -12.228 7.159 2.801 340 3HZ LYS 40 3HZ LYS 40 -11.917 5.621 3.343 341 H ARG 41 H ARG 41 -6.789 8.842 2.006 342 HA ARG 41 HA ARG 41 -6.564 6.440 0.378 343 1HB ARG 41 1HB ARG 41 -7.931 8.509 -0.999 344 2HB ARG 41 2HB ARG 41 -8.281 6.787 -0.926 345 1HG ARG 41 1HG ARG 41 -10.232 7.770 -0.188 346 2HG ARG 41 2HG ARG 41 -9.444 7.387 1.319 347 1HD ARG 41 1HD ARG 41 -10.303 9.613 1.546 348 2HD ARG 41 2HD ARG 41 -8.569 9.834 1.286 349 HE ARG 41 HE ARG 41 -10.594 9.963 -0.917 350 1HH1 ARG 41 2HH2 ARG 41 -7.862 11.593 0.703 351 2HH1 ARG 41 1HH2 ARG 41 -7.855 12.916 -0.412 352 1HH2 ARG 41 2HH1 ARG 41 -10.549 11.533 -2.331 353 2HH2 ARG 41 1HH1 ARG 41 -9.440 12.877 -2.268 354 HA PRO 42 HA PRO 42 -3.074 9.171 -0.652 355 1HB PRO 42 1HB PRO 42 -1.564 7.378 -2.004 356 2HB PRO 42 2HB PRO 42 -1.733 7.282 -0.223 357 1HG PRO 42 1HG PRO 42 -3.237 5.743 -2.344 358 2HG PRO 42 2HG PRO 42 -2.451 5.077 -0.906 359 1HD PRO 42 1HD PRO 42 -5.149 5.715 -1.055 360 2HD PRO 42 2HD PRO 42 -4.276 5.755 0.468 361 H ARG 43 H ARG 43 -2.344 10.048 -2.761 362 HA ARG 43 HA ARG 43 -4.450 10.144 -4.752 363 1HB ARG 43 1HB ARG 43 -3.141 11.666 -5.931 364 2HB ARG 43 2HB ARG 43 -2.749 11.964 -4.254 365 1HG ARG 43 1HG ARG 43 -0.656 12.086 -5.193 366 2HG ARG 43 2HG ARG 43 -0.660 10.387 -4.738 367 1HD ARG 43 1HD ARG 43 -1.428 9.855 -7.108 368 2HD ARG 43 2HD ARG 43 -1.293 11.559 -7.494 369 HE ARG 43 HE ARG 43 1.204 11.164 -6.668 370 1HH1 ARG 43 2HH2 ARG 43 -0.742 9.151 -8.874 371 2HH1 ARG 43 1HH2 ARG 43 0.618 8.152 -9.307 372 1HH2 ARG 43 2HH1 ARG 43 2.976 10.116 -7.511 373 2HH2 ARG 43 1HH1 ARG 43 2.826 8.856 -8.692 374 H PHE 44 H PHE 44 -1.455 8.284 -4.374 375 HA PHE 44 HA PHE 44 -1.641 7.158 -7.043 376 1HB PHE 44 1HB PHE 44 0.480 6.226 -6.552 377 2HB PHE 44 2HB PHE 44 0.477 7.894 -6.025 378 HD1 PHE 44 1HD PHE 44 0.749 4.434 -5.041 379 HD2 PHE 44 2HD PHE 44 0.586 8.465 -3.573 380 HE1 PHE 44 1HE PHE 44 1.610 3.661 -2.818 381 HE2 PHE 44 2HE PHE 44 1.391 7.701 -1.362 382 HZ PHE 44 HZ PHE 44 1.901 5.270 -0.993 383 H LEU 45 H LEU 45 -3.630 6.385 -4.662 384 HA LEU 45 HA LEU 45 -3.283 3.793 -3.843 385 1HB LEU 45 1HB LEU 45 -5.265 5.596 -3.566 386 2HB LEU 45 2HB LEU 45 -6.047 4.545 -4.721 387 HG LEU 45 HG LEU 45 -5.006 3.677 -1.956 388 1HD1 LEU 45 1HD1 LEU 45 -7.840 4.091 -3.010 389 2HD1 LEU 45 2HD1 LEU 45 -7.377 3.592 -1.367 390 3HD1 LEU 45 3HD1 LEU 45 -7.009 5.219 -1.963 391 1HD2 LEU 45 1HD2 LEU 45 -4.812 1.827 -3.251 392 2HD2 LEU 45 2HD2 LEU 45 -6.302 1.695 -2.294 393 3HD2 LEU 45 3HD2 LEU 45 -6.390 2.101 -4.016 394 HA PRO 46 HA PRO 46 -5.129 1.786 -7.762 395 1HB PRO 46 1HB PRO 46 -4.956 2.976 -10.196 396 2HB PRO 46 2HB PRO 46 -6.351 3.229 -9.102 397 1HG PRO 46 1HG PRO 46 -3.874 4.980 -9.361 398 2HG PRO 46 2HG PRO 46 -5.579 5.491 -9.471 399 1HD PRO 46 1HD PRO 46 -4.292 5.746 -7.172 400 2HD PRO 46 2HD PRO 46 -5.947 5.074 -7.140 401 H GLU 47 H GLU 47 -2.195 3.825 -8.070 402 HA GLU 47 HA GLU 47 -0.834 1.982 -9.861 403 1HB GLU 47 1HB GLU 47 0.099 4.273 -8.063 404 2HB GLU 47 2HB GLU 47 1.134 3.310 -9.094 405 1HG GLU 47 1HG GLU 47 -0.303 4.036 -11.075 406 2HG GLU 47 2HG GLU 47 -1.075 5.198 -9.974 407 H LEU 48 H LEU 48 -0.952 2.721 -6.336 408 HA LEU 48 HA LEU 48 0.988 0.815 -5.519 409 1HB LEU 48 1HB LEU 48 -0.086 2.650 -4.188 410 2HB LEU 48 2HB LEU 48 -1.488 1.634 -3.996 411 HG LEU 48 HG LEU 48 1.337 1.372 -2.890 412 1HD1 LEU 48 1HD1 LEU 48 0.152 1.123 -0.776 413 2HD1 LEU 48 2HD1 LEU 48 -0.448 2.556 -1.650 414 3HD1 LEU 48 3HD1 LEU 48 -1.405 1.056 -1.635 415 1HD2 LEU 48 1HD2 LEU 48 -0.611 -0.955 -2.969 416 2HD2 LEU 48 2HD2 LEU 48 1.066 -0.887 -3.584 417 3HD2 LEU 48 3HD2 LEU 48 0.758 -0.829 -1.853 418 H ALA 49 H ALA 49 -2.608 0.653 -5.841 419 HA ALA 49 HA ALA 49 -2.728 -2.033 -4.917 420 1HB ALA 49 1HB ALA 49 -4.698 -0.406 -5.033 421 2HB ALA 49 2HB ALA 49 -4.721 -0.639 -6.790 422 3HB ALA 49 3HB ALA 49 -5.043 -2.006 -5.699 423 H ARG 50 H ARG 50 -2.539 -0.755 -8.251 424 HA ARG 50 HA ARG 50 -2.653 -3.227 -9.648 425 1HB ARG 50 1HB ARG 50 -2.879 -1.038 -10.701 426 2HB ARG 50 2HB ARG 50 -1.277 -0.548 -10.143 427 1HG ARG 50 1HG ARG 50 -0.218 -2.171 -11.649 428 2HG ARG 50 2HG ARG 50 -1.827 -2.691 -12.226 429 1HD ARG 50 1HD ARG 50 -2.323 -0.476 -13.055 430 2HD ARG 50 2HD ARG 50 -0.865 0.199 -12.308 431 HE ARG 50 HE ARG 50 0.219 -1.650 -13.923 432 1HH1 ARG 50 2HH2 ARG 50 -1.984 1.078 -14.403 433 2HH1 ARG 50 1HH2 ARG 50 -1.595 1.345 -16.073 434 1HH2 ARG 50 2HH1 ARG 50 0.847 -1.254 -16.145 435 2HH2 ARG 50 1HH1 ARG 50 0.154 0.062 -17.029 436 H ALA 51 H ALA 51 0.245 -1.388 -8.449 437 HA ALA 51 HA ALA 51 1.967 -3.483 -9.300 438 1HB ALA 51 1HB ALA 51 2.547 -1.009 -9.020 439 2HB ALA 51 2HB ALA 51 2.655 -1.352 -7.274 440 3HB ALA 51 3HB ALA 51 3.736 -2.171 -8.436 441 H LEU 52 H LEU 52 0.301 -2.935 -6.122 442 HA LEU 52 HA LEU 52 1.691 -5.092 -4.831 443 1HB LEU 52 1HB LEU 52 0.438 -3.195 -3.792 444 2HB LEU 52 2HB LEU 52 -1.071 -4.027 -4.204 445 HG LEU 52 HG LEU 52 -0.433 -5.844 -2.787 446 1HD1 LEU 52 1HD1 LEU 52 1.978 -6.054 -2.901 447 2HD1 LEU 52 2HD1 LEU 52 2.203 -4.372 -2.378 448 3HD1 LEU 52 3HD1 LEU 52 1.642 -5.588 -1.231 449 1HD2 LEU 52 1HD2 LEU 52 -0.439 -4.637 -0.604 450 2HD2 LEU 52 2HD2 LEU 52 0.077 -3.159 -1.438 451 3HD2 LEU 52 3HD2 LEU 52 -1.517 -3.866 -1.788 452 H GLY 53 H GLY 53 -0.940 -4.930 -7.148 453 1HA GLY 53 1HA GLY 53 -1.649 -6.656 -8.474 454 2HA GLY 53 2HA GLY 53 -1.033 -7.841 -7.330 455 H VAL 54 H VAL 54 -3.217 -5.150 -6.477 456 HA VAL 54 HA VAL 54 -5.466 -7.046 -6.080 457 HB VAL 54 HB VAL 54 -5.879 -6.202 -3.828 458 1HG1 VAL 54 1HG1 VAL 54 -4.101 -7.262 -2.610 459 2HG1 VAL 54 2HG1 VAL 54 -4.355 -8.174 -4.106 460 3HG1 VAL 54 3HG1 VAL 54 -2.971 -7.064 -3.961 461 1HG2 VAL 54 1HG2 VAL 54 -4.078 -4.847 -2.663 462 2HG2 VAL 54 2HG2 VAL 54 -3.404 -4.490 -4.253 463 3HG2 VAL 54 3HG2 VAL 54 -5.053 -3.968 -3.849 464 H ALA 55 H ALA 55 -7.533 -5.669 -5.515 465 HA ALA 55 HA ALA 55 -7.724 -3.420 -7.380 466 1HB ALA 55 1HB ALA 55 -9.603 -4.949 -7.137 467 2HB ALA 55 2HB ALA 55 -9.718 -4.600 -5.404 468 3HB ALA 55 3HB ALA 55 -10.070 -3.331 -6.603 469 H VAL 56 H VAL 56 -8.121 -1.202 -6.747 470 HA VAL 56 HA VAL 56 -7.250 -0.087 -4.186 471 HB VAL 56 HB VAL 56 -9.285 0.686 -6.374 472 1HG1 VAL 56 1HG1 VAL 56 -10.112 1.974 -4.692 473 2HG1 VAL 56 2HG1 VAL 56 -8.561 2.191 -3.897 474 3HG1 VAL 56 3HG1 VAL 56 -8.935 3.089 -5.388 475 1HG2 VAL 56 1HG2 VAL 56 -6.410 1.539 -6.009 476 2HG2 VAL 56 2HG2 VAL 56 -7.131 0.685 -7.362 477 3HG2 VAL 56 3HG2 VAL 56 -7.557 2.368 -7.078 478 H ASP 57 H ASP 57 -10.301 -1.567 -5.403 479 HA ASP 57 HA ASP 57 -11.858 -0.950 -3.133 480 1HB ASP 57 1HB ASP 57 -12.294 -2.171 -5.518 481 2HB ASP 57 2HB ASP 57 -12.134 -3.614 -4.545 482 H TRP 58 H TRP 58 -9.592 -3.653 -3.760 483 HA TRP 58 HA TRP 58 -10.139 -5.009 -1.290 484 1HB TRP 58 1HB TRP 58 -8.881 -6.048 -3.244 485 2HB TRP 58 2HB TRP 58 -7.553 -4.962 -2.817 486 HD1 TRP 58 HD TRP 58 -9.296 -8.077 -1.623 487 HE1 TRP 58 1HE TRP 58 -7.987 -9.232 0.199 488 HE3 TRP 58 3HE TRP 58 -5.602 -4.640 -1.115 489 HZ2 TRP 58 2HZ TRP 58 -5.568 -8.715 1.741 490 HZ3 TRP 58 3HZ TRP 58 -3.644 -5.100 0.367 491 HH2 TRP 58 HH TRP 58 -3.712 -7.088 1.897 492 H LEU 59 H LEU 59 -7.811 -2.496 -2.332 493 HA LEU 59 HA LEU 59 -6.544 -2.369 0.210 494 1HB LEU 59 1HB LEU 59 -6.491 -0.609 -2.247 495 2HB LEU 59 2HB LEU 59 -6.104 0.099 -0.797 496 HG LEU 59 HG LEU 59 -4.768 -2.365 -1.991 497 1HD1 LEU 59 1HD1 LEU 59 -4.090 -0.209 -2.900 498 2HD1 LEU 59 2HD1 LEU 59 -3.746 0.406 -1.266 499 3HD1 LEU 59 3HD1 LEU 59 -2.768 -0.908 -1.967 500 1HD2 LEU 59 1HD2 LEU 59 -3.076 -2.204 -0.110 501 2HD2 LEU 59 2HD2 LEU 59 -4.237 -1.162 0.756 502 3HD2 LEU 59 3HD2 LEU 59 -4.609 -2.862 0.388 503 H LEU 60 H LEU 60 -9.253 -0.432 -1.046 504 HA LEU 60 HA LEU 60 -9.511 1.179 1.286 505 1HB LEU 60 1HB LEU 60 -11.302 0.381 -1.039 506 2HB LEU 60 2HB LEU 60 -11.925 1.339 0.273 507 HG LEU 60 HG LEU 60 -9.532 2.093 -1.483 508 1HD1 LEU 60 1HD1 LEU 60 -11.706 2.114 -2.691 509 2HD1 LEU 60 2HD1 LEU 60 -12.350 3.249 -1.486 510 3HD1 LEU 60 3HD1 LEU 60 -10.999 3.730 -2.535 511 1HD2 LEU 60 1HD2 LEU 60 -9.865 4.401 -0.503 512 2HD2 LEU 60 2HD2 LEU 60 -10.937 3.667 0.707 513 3HD2 LEU 60 3HD2 LEU 60 -9.221 3.212 0.628 514 H ASN 61 H ASN 61 -11.229 -1.718 0.238 515 HA ASN 61 HA ASN 61 -12.715 -1.784 2.779 516 1HB ASN 61 1HB ASN 61 -13.378 -3.035 0.093 517 2HB ASN 61 2HB ASN 61 -14.454 -2.798 1.463 518 1HD2 ASN 61 1HD2 ASN 61 -13.902 -1.532 -1.513 519 2HD2 ASN 61 2HD2 ASN 61 -14.299 0.149 -1.214 520 H GLY 62 H GLY 62 -10.404 -3.900 1.068 521 1HA GLY 62 1HA GLY 62 -9.662 -5.979 1.694 522 2HA GLY 62 2HA GLY 62 -10.702 -5.940 3.128 523 H ALA 63 H ALA 63 -10.831 -6.106 -0.377 524 HA ALA 63 HA ALA 63 -13.278 -7.624 -0.641 525 1HB ALA 63 1HB ALA 63 -12.447 -7.924 -2.975 526 2HB ALA 63 2HB ALA 63 -12.498 -6.224 -2.468 527 3HB ALA 63 3HB ALA 63 -10.954 -7.094 -2.551 Start of MODEL 15 1 1H MET 0 H MET 0 -9.021 -7.179 9.709 2 HA MET 0 HA MET 0 -6.616 -6.742 8.638 3 1HB MET 0 1HB MET 0 -6.666 -6.432 6.375 4 2HB MET 0 2HB MET 0 -7.358 -8.008 6.635 5 1HG MET 0 1HG MET 0 -8.879 -5.461 5.965 6 2HG MET 0 2HG MET 0 -8.507 -6.763 4.849 7 1HE MET 0 1HE MET 0 -12.460 -6.626 5.482 8 2HE MET 0 2HE MET 0 -11.407 -5.255 5.903 9 3HE MET 0 3HE MET 0 -11.148 -6.127 4.389 10 H LEU 1 H LEU 1 -6.196 -4.699 8.267 11 HA LEU 1 HA LEU 1 -8.276 -2.627 8.289 12 1HB LEU 1 1HB LEU 1 -5.580 -2.097 9.550 13 2HB LEU 1 2HB LEU 1 -6.954 -1.034 9.394 14 HG LEU 1 HG LEU 1 -8.223 -2.867 10.849 15 1HD1 LEU 1 1HD1 LEU 1 -6.715 -3.790 12.611 16 2HD1 LEU 1 2HD1 LEU 1 -6.336 -4.472 11.032 17 3HD1 LEU 1 3HD1 LEU 1 -5.303 -3.199 11.711 18 1HD2 LEU 1 1HD2 LEU 1 -7.946 -0.520 11.458 19 2HD2 LEU 1 2HD2 LEU 1 -7.600 -1.540 12.862 20 3HD2 LEU 1 3HD2 LEU 1 -6.265 -0.817 11.938 21 H MET 2 H MET 2 -6.845 -0.541 7.311 22 HA MET 2 HA MET 2 -5.861 -1.463 4.754 23 1HB MET 2 1HB MET 2 -6.156 1.198 6.077 24 2HB MET 2 2HB MET 2 -4.818 1.068 4.940 25 1HG MET 2 1HG MET 2 -6.261 0.360 3.166 26 2HG MET 2 2HG MET 2 -7.653 0.225 4.241 27 1HE MET 2 1HE MET 2 -5.100 2.607 2.404 28 2HE MET 2 2HE MET 2 -5.607 4.208 2.973 29 3HE MET 2 3HE MET 2 -4.880 3.085 4.111 30 H GLY 3 H GLY 3 -4.233 -0.012 7.606 31 1HA GLY 3 1HA GLY 3 -1.604 -0.188 6.781 32 2HA GLY 3 2HA GLY 3 -2.142 -0.399 8.465 33 H GLU 4 H GLU 4 -3.285 -2.702 8.789 34 HA GLU 4 HA GLU 4 -1.327 -4.584 8.526 35 1HB GLU 4 1HB GLU 4 -3.514 -4.319 10.011 36 2HB GLU 4 2HB GLU 4 -4.241 -5.388 8.825 37 1HG GLU 4 1HG GLU 4 -1.553 -6.088 10.072 38 2HG GLU 4 2HG GLU 4 -3.013 -6.229 11.043 39 H ARG 5 H ARG 5 -4.041 -3.953 6.312 40 HA ARG 5 HA ARG 5 -3.789 -6.313 4.674 41 1HB ARG 5 1HB ARG 5 -4.933 -3.535 4.243 42 2HB ARG 5 2HB ARG 5 -4.369 -4.358 2.818 43 1HG ARG 5 1HG ARG 5 -5.774 -6.380 3.638 44 2HG ARG 5 2HG ARG 5 -6.601 -5.155 4.630 45 1HD ARG 5 1HD ARG 5 -6.275 -4.553 1.721 46 2HD ARG 5 2HD ARG 5 -7.358 -5.868 2.153 47 HE ARG 5 HE ARG 5 -8.812 -4.204 2.361 48 1HH1 ARG 5 2HH2 ARG 5 -5.923 -2.598 2.441 49 2HH1 ARG 5 1HH2 ARG 5 -6.817 -1.085 2.457 50 1HH2 ARG 5 2HH1 ARG 5 -9.830 -2.544 3.564 51 2HH2 ARG 5 1HH1 ARG 5 -9.067 -1.032 3.194 52 H ILE 6 H ILE 6 -2.322 -3.100 4.465 53 HA ILE 6 HA ILE 6 -0.748 -3.597 2.130 54 HB ILE 6 HB ILE 6 -0.841 -1.537 4.353 55 1HG1 ILE 6 1HG1 ILE 6 -1.309 -1.230 1.348 56 2HG1 ILE 6 2HG1 ILE 6 -2.574 -1.787 2.432 57 1HG2 ILE 6 1HG2 ILE 6 1.503 -1.544 3.819 58 2HG2 ILE 6 2HG2 ILE 6 1.162 -1.454 2.071 59 3HG2 ILE 6 3HG2 ILE 6 0.764 -0.097 3.162 60 1HD1 ILE 6 1HD1 ILE 6 -2.966 0.506 2.169 61 2HD1 ILE 6 2HD1 ILE 6 -2.265 0.339 3.789 62 3HD1 ILE 6 3HD1 ILE 6 -1.263 0.915 2.431 63 H ARG 7 H ARG 7 0.007 -3.670 5.634 64 HA ARG 7 HA ARG 7 2.714 -4.422 5.344 65 1HB ARG 7 1HB ARG 7 1.481 -3.605 7.425 66 2HB ARG 7 2HB ARG 7 0.888 -5.240 7.637 67 1HG ARG 7 1HG ARG 7 3.774 -5.308 7.209 68 2HG ARG 7 2HG ARG 7 3.388 -4.056 8.387 69 1HD ARG 7 1HD ARG 7 3.872 -5.915 9.656 70 2HD ARG 7 2HD ARG 7 2.115 -5.809 9.715 71 HE ARG 7 HE ARG 7 3.825 -7.828 8.427 72 1HH1 ARG 7 2HH2 ARG 7 0.512 -6.764 9.013 73 2HH1 ARG 7 1HH2 ARG 7 -0.251 -8.242 8.631 74 1HH2 ARG 7 2HH1 ARG 7 2.991 -9.795 8.048 75 2HH2 ARG 7 1HH1 ARG 7 1.283 -10.097 7.904 76 H ALA 8 H ALA 8 -0.199 -6.476 5.750 77 HA ALA 8 HA ALA 8 1.085 -8.978 5.675 78 1HB ALA 8 1HB ALA 8 -1.160 -9.848 5.054 79 2HB ALA 8 2HB ALA 8 -1.233 -8.688 6.391 80 3HB ALA 8 3HB ALA 8 -1.712 -8.190 4.759 81 H ARG 9 H ARG 9 -0.535 -7.261 2.943 82 HA ARG 9 HA ARG 9 0.175 -9.235 1.052 83 1HB ARG 9 1HB ARG 9 -1.421 -7.005 1.069 84 2HB ARG 9 2HB ARG 9 -0.090 -6.418 0.112 85 1HG ARG 9 1HG ARG 9 -2.051 -8.672 -0.454 86 2HG ARG 9 2HG ARG 9 -1.800 -7.187 -1.329 87 1HD ARG 9 1HD ARG 9 0.597 -8.266 -1.855 88 2HD ARG 9 2HD ARG 9 -0.221 -9.752 -1.363 89 HE ARG 9 HE ARG 9 -1.513 -7.949 -3.321 90 1HH1 ARG 9 2HH2 ARG 9 0.505 -10.827 -2.971 91 2HH1 ARG 9 1HH2 ARG 9 0.057 -11.516 -4.493 92 1HH2 ARG 9 2HH1 ARG 9 -2.485 -9.130 -5.190 93 2HH2 ARG 9 1HH1 ARG 9 -1.909 -10.710 -5.522 94 H ARG 10 H ARG 10 1.951 -6.308 2.107 95 HA ARG 10 HA ARG 10 4.086 -6.362 0.231 96 1HB ARG 10 1HB ARG 10 3.624 -4.583 1.907 97 2HB ARG 10 2HB ARG 10 4.097 -5.626 3.204 98 1HG ARG 10 1HG ARG 10 6.321 -5.412 2.843 99 2HG ARG 10 2HG ARG 10 6.162 -5.290 1.092 100 1HD ARG 10 1HD ARG 10 6.968 -3.146 2.243 101 2HD ARG 10 2HD ARG 10 5.653 -3.034 1.112 102 HE ARG 10 HE ARG 10 4.277 -2.304 2.722 103 1HH1 ARG 10 2HH2 ARG 10 7.037 -3.873 4.496 104 2HH1 ARG 10 1HH2 ARG 10 6.181 -3.804 5.981 105 1HH2 ARG 10 2HH1 ARG 10 3.391 -1.974 4.792 106 2HH2 ARG 10 1HH1 ARG 10 4.300 -2.489 6.165 107 H ILE 11 H ILE 11 3.913 -7.775 3.474 108 HA ILE 11 HA ILE 11 6.333 -9.286 3.200 109 HB ILE 11 HB ILE 11 3.948 -9.608 5.054 110 1HG1 ILE 11 1HG1 ILE 11 5.022 -7.485 5.451 111 2HG1 ILE 11 2HG1 ILE 11 5.567 -8.550 6.713 112 1HG2 ILE 11 1HG2 ILE 11 6.657 -10.990 5.253 113 2HG2 ILE 11 2HG2 ILE 11 5.453 -10.910 6.555 114 3HG2 ILE 11 3HG2 ILE 11 5.064 -11.752 5.065 115 1HD1 ILE 11 1HD1 ILE 11 7.091 -7.522 4.298 116 2HD1 ILE 11 2HD1 ILE 11 7.461 -7.329 6.017 117 3HD1 ILE 11 3HD1 ILE 11 7.671 -8.912 5.231 118 H GLN 12 H GLN 12 3.005 -10.257 2.458 119 HA GLN 12 HA GLN 12 3.536 -12.911 1.687 120 1HB GLN 12 1HB GLN 12 1.313 -11.522 1.899 121 2HB GLN 12 2HB GLN 12 1.614 -11.075 0.227 122 1HG GLN 12 1HG GLN 12 1.867 -13.842 0.119 123 2HG GLN 12 2HG GLN 12 0.689 -13.638 1.423 124 1HE2 GLN 12 1HE2 GLN 12 1.226 -13.460 -2.013 125 2HE2 GLN 12 2HE2 GLN 12 -0.337 -12.833 -2.476 126 H LEU 13 H LEU 13 4.241 -9.921 0.034 127 HA LEU 13 HA LEU 13 5.185 -11.302 -2.406 128 1HB LEU 13 1HB LEU 13 3.730 -9.284 -2.511 129 2HB LEU 13 2HB LEU 13 4.976 -8.357 -1.698 130 HG LEU 13 HG LEU 13 6.463 -8.538 -3.621 131 1HD1 LEU 13 1HD1 LEU 13 5.724 -9.648 -5.731 132 2HD1 LEU 13 2HD1 LEU 13 6.030 -10.791 -4.433 133 3HD1 LEU 13 3HD1 LEU 13 4.354 -10.369 -4.836 134 1HD2 LEU 13 1HD2 LEU 13 3.621 -7.928 -4.553 135 2HD2 LEU 13 2HD2 LEU 13 4.629 -6.823 -3.595 136 3HD2 LEU 13 3HD2 LEU 13 5.141 -7.286 -5.217 137 H GLY 14 H GLY 14 6.324 -10.507 0.634 138 1HA GLY 14 1HA GLY 14 8.290 -10.778 1.659 139 2HA GLY 14 2HA GLY 14 8.839 -11.630 0.223 140 H LEU 15 H LEU 15 7.839 -8.155 0.288 141 HA LEU 15 HA LEU 15 10.628 -7.424 -0.129 142 1HB LEU 15 1HB LEU 15 10.152 -6.405 -2.011 143 2HB LEU 15 2HB LEU 15 8.904 -7.615 -2.125 144 HG LEU 15 HG LEU 15 8.424 -4.849 -0.943 145 1HD1 LEU 15 1HD1 LEU 15 7.984 -5.784 -3.831 146 2HD1 LEU 15 2HD1 LEU 15 7.481 -4.216 -3.187 147 3HD1 LEU 15 3HD1 LEU 15 9.199 -4.612 -3.353 148 1HD2 LEU 15 1HD2 LEU 15 6.094 -5.285 -1.433 149 2HD2 LEU 15 2HD2 LEU 15 6.538 -6.809 -2.222 150 3HD2 LEU 15 3HD2 LEU 15 6.772 -6.626 -0.490 151 H ASN 16 H ASN 16 11.097 -5.204 0.192 152 HA ASN 16 HA ASN 16 10.368 -4.488 2.918 153 1HB ASN 16 1HB ASN 16 12.094 -2.925 0.943 154 2HB ASN 16 2HB ASN 16 11.985 -2.612 2.664 155 1HD2 ASN 16 1HD2 ASN 16 14.363 -3.501 0.836 156 2HD2 ASN 16 2HD2 ASN 16 15.007 -4.843 1.737 157 H GLN 17 H GLN 17 9.813 -2.142 3.550 158 HA GLN 17 HA GLN 17 7.594 -1.015 2.143 159 1HB GLN 17 1HB GLN 17 9.615 0.211 4.039 160 2HB GLN 17 2HB GLN 17 8.310 1.137 3.323 161 1HG GLN 17 1HG GLN 17 6.659 -0.416 4.392 162 2HG GLN 17 2HG GLN 17 8.011 -1.271 5.147 163 1HE2 GLN 17 1HE2 GLN 17 7.041 -0.632 7.247 164 2HE2 GLN 17 2HE2 GLN 17 7.356 1.002 7.843 165 H ALA 18 H ALA 18 11.122 -0.159 2.047 166 HA ALA 18 HA ALA 18 10.750 1.997 0.295 167 1HB ALA 18 1HB ALA 18 13.181 1.869 -0.040 168 2HB ALA 18 2HB ALA 18 12.762 1.670 1.670 169 3HB ALA 18 3HB ALA 18 13.201 0.248 0.691 170 H GLU 19 H GLU 19 11.194 -1.478 -0.434 171 HA GLU 19 HA GLU 19 11.425 -1.062 -3.285 172 1HB GLU 19 1HB GLU 19 10.727 -3.552 -1.668 173 2HB GLU 19 2HB GLU 19 11.036 -3.464 -3.414 174 1HG GLU 19 1HG GLU 19 13.250 -2.183 -2.512 175 2HG GLU 19 2HG GLU 19 12.941 -3.190 -1.115 176 H LEU 20 H LEU 20 8.661 -2.056 -1.152 177 HA LEU 20 HA LEU 20 6.741 -2.171 -3.270 178 1HB LEU 20 1HB LEU 20 6.212 -2.984 -1.020 179 2HB LEU 20 2HB LEU 20 6.352 -1.347 -0.369 180 HG LEU 20 HG LEU 20 4.394 -0.614 -1.709 181 1HD1 LEU 20 1HD1 LEU 20 4.278 -3.529 -2.615 182 2HD1 LEU 20 2HD1 LEU 20 2.956 -2.351 -2.817 183 3HD1 LEU 20 3HD1 LEU 20 4.490 -2.078 -3.635 184 1HD2 LEU 20 1HD2 LEU 20 2.644 -1.813 -0.515 185 2HD2 LEU 20 2HD2 LEU 20 3.762 -3.133 -0.125 186 3HD2 LEU 20 3HD2 LEU 20 4.011 -1.501 0.554 187 H ALA 21 H ALA 21 8.029 0.530 -1.373 188 HA ALA 21 HA ALA 21 6.455 2.536 -2.567 189 1HB ALA 21 1HB ALA 21 7.979 2.779 -0.513 190 2HB ALA 21 2HB ALA 21 9.340 2.873 -1.618 191 3HB ALA 21 3HB ALA 21 8.066 4.077 -1.698 192 H GLN 22 H GLN 22 9.759 1.384 -3.465 193 HA GLN 22 HA GLN 22 10.003 3.268 -5.534 194 1HB GLN 22 1HB GLN 22 11.813 2.209 -4.234 195 2HB GLN 22 2HB GLN 22 11.562 0.687 -5.096 196 1HG GLN 22 1HG GLN 22 12.412 1.612 -7.125 197 2HG GLN 22 2HG GLN 22 12.182 3.276 -6.560 198 1HE2 GLN 22 1HE2 GLN 22 14.469 3.693 -7.087 199 2HE2 GLN 22 2HE2 GLN 22 15.716 3.195 -5.949 200 H LYS 23 H LYS 23 8.790 -0.134 -5.701 201 HA LYS 23 HA LYS 23 8.758 0.017 -8.588 202 1HB LYS 23 1HB LYS 23 8.683 -2.084 -8.421 203 2HB LYS 23 2HB LYS 23 8.689 -2.028 -6.707 204 1HG LYS 23 1HG LYS 23 6.012 -1.897 -8.146 205 2HG LYS 23 2HG LYS 23 6.909 -3.398 -8.092 206 1HD LYS 23 1HD LYS 23 7.008 -3.335 -5.631 207 2HD LYS 23 2HD LYS 23 6.189 -1.765 -5.626 208 1HE LYS 23 1HE LYS 23 4.558 -3.517 -5.164 209 2HE LYS 23 2HE LYS 23 4.223 -2.754 -6.702 210 1HZ LYS 23 1HZ LYS 23 5.282 -4.632 -7.828 211 2HZ LYS 23 2HZ LYS 23 5.693 -5.352 -6.435 212 3HZ LYS 23 3HZ LYS 23 4.102 -5.212 -6.886 213 H VAL 24 H VAL 24 6.630 1.262 -6.110 214 HA VAL 24 HA VAL 24 4.532 1.802 -8.132 215 HB VAL 24 HB VAL 24 4.691 2.542 -5.194 216 1HG1 VAL 24 1HG1 VAL 24 2.977 3.823 -6.424 217 2HG1 VAL 24 2HG1 VAL 24 2.338 2.317 -7.118 218 3HG1 VAL 24 3HG1 VAL 24 2.223 2.622 -5.371 219 1HG2 VAL 24 1HG2 VAL 24 3.285 0.583 -4.727 220 2HG2 VAL 24 2HG2 VAL 24 3.083 0.264 -6.462 221 3HG2 VAL 24 3HG2 VAL 24 4.614 -0.057 -5.683 222 H GLY 25 H GLY 25 7.380 3.145 -6.795 223 1HA GLY 25 1HA GLY 25 8.626 4.859 -7.844 224 2HA GLY 25 2HA GLY 25 7.135 5.653 -8.364 225 H VAL 26 H VAL 26 6.509 4.742 -5.216 226 HA VAL 26 HA VAL 26 6.563 7.568 -4.518 227 HB VAL 26 HB VAL 26 4.989 6.879 -2.775 228 1HG1 VAL 26 1HG1 VAL 26 4.236 7.163 -5.175 229 2HG1 VAL 26 2HG1 VAL 26 4.350 5.398 -5.373 230 3HG1 VAL 26 3HG1 VAL 26 3.231 6.084 -4.205 231 1HG2 VAL 26 1HG2 VAL 26 4.177 4.633 -2.488 232 2HG2 VAL 26 2HG2 VAL 26 5.366 4.013 -3.642 233 3HG2 VAL 26 3HG2 VAL 26 5.892 4.714 -2.088 234 H ASP 27 H ASP 27 6.941 7.947 -1.893 235 HA ASP 27 HA ASP 27 9.702 7.301 -1.431 236 1HB ASP 27 1HB ASP 27 8.732 8.350 0.883 237 2HB ASP 27 2HB ASP 27 9.435 9.285 -0.411 238 H GLN 28 H GLN 28 10.419 6.073 0.428 239 HA GLN 28 HA GLN 28 9.035 3.741 1.235 240 1HB GLN 28 1HB GLN 28 11.445 4.142 1.634 241 2HB GLN 28 2HB GLN 28 11.044 5.461 2.734 242 1HG GLN 28 1HG GLN 28 9.733 3.547 4.079 243 2HG GLN 28 2HG GLN 28 10.802 2.483 3.164 244 1HE2 GLN 28 1HE2 GLN 28 10.533 4.360 6.027 245 2HE2 GLN 28 2HE2 GLN 28 12.259 4.598 6.311 246 H GLN 29 H GLN 29 9.147 6.981 2.703 247 HA GLN 29 HA GLN 29 7.587 6.595 4.927 248 1HB GLN 29 1HB GLN 29 8.890 8.642 4.351 249 2HB GLN 29 2HB GLN 29 7.565 9.134 3.272 250 1HG GLN 29 1HG GLN 29 5.995 9.174 5.147 251 2HG GLN 29 2HG GLN 29 7.204 8.486 6.235 252 1HE2 GLN 29 1HE2 GLN 29 5.987 10.713 7.086 253 2HE2 GLN 29 2HE2 GLN 29 7.105 12.079 7.011 254 H ALA 30 H ALA 30 6.465 7.013 1.538 255 HA ALA 30 HA ALA 30 3.705 7.450 2.127 256 1HB ALA 30 1HB ALA 30 4.800 5.926 -0.260 257 2HB ALA 30 2HB ALA 30 3.330 6.906 -0.157 258 3HB ALA 30 3HB ALA 30 4.914 7.692 -0.134 259 H ILE 31 H ILE 31 5.631 4.395 1.916 260 HA ILE 31 HA ILE 31 3.235 2.774 2.234 261 HB ILE 31 HB ILE 31 6.193 2.055 2.532 262 1HG1 ILE 31 1HG1 ILE 31 6.106 2.775 0.387 263 2HG1 ILE 31 2HG1 ILE 31 5.869 1.053 0.240 264 1HG2 ILE 31 1HG2 ILE 31 3.712 0.337 2.041 265 2HG2 ILE 31 2HG2 ILE 31 5.399 -0.242 2.082 266 3HG2 ILE 31 3HG2 ILE 31 4.642 0.398 3.547 267 1HD1 ILE 31 1HD1 ILE 31 4.446 2.147 -1.361 268 2HD1 ILE 31 2HD1 ILE 31 3.364 1.582 -0.065 269 3HD1 ILE 31 3HD1 ILE 31 3.836 3.293 -0.176 270 H GLU 32 H GLU 32 5.816 4.066 4.306 271 HA GLU 32 HA GLU 32 5.229 2.725 6.751 272 1HB GLU 32 1HB GLU 32 7.236 4.269 5.879 273 2HB GLU 32 2HB GLU 32 6.241 5.596 6.411 274 1HG GLU 32 1HG GLU 32 7.035 5.398 8.452 275 2HG GLU 32 2HG GLU 32 6.263 3.819 8.610 276 H GLN 33 H GLN 33 4.108 5.862 5.508 277 HA GLN 33 HA GLN 33 2.531 6.360 7.854 278 1HB GLN 33 1HB GLN 33 1.953 8.359 6.818 279 2HB GLN 33 2HB GLN 33 3.550 8.007 6.212 280 1HG GLN 33 1HG GLN 33 2.466 6.995 4.170 281 2HG GLN 33 2HG GLN 33 0.907 7.563 4.770 282 1HE2 GLN 33 1HE2 GLN 33 4.191 8.615 3.988 283 2HE2 GLN 33 2HE2 GLN 33 3.869 10.248 3.479 284 H LEU 34 H LEU 34 1.940 4.701 4.729 285 HA LEU 34 HA LEU 34 -0.891 4.595 5.029 286 1HB LEU 34 1HB LEU 34 1.249 3.382 3.340 287 2HB LEU 34 2HB LEU 34 -0.101 2.335 3.604 288 HG LEU 34 HG LEU 34 -0.364 5.201 2.705 289 1HD1 LEU 34 1HD1 LEU 34 -0.520 2.709 0.946 290 2HD1 LEU 34 2HD1 LEU 34 -0.643 4.431 0.449 291 3HD1 LEU 34 3HD1 LEU 34 0.887 3.785 1.061 292 1HD2 LEU 34 1HD2 LEU 34 -2.614 4.642 1.905 293 2HD2 LEU 34 2HD2 LEU 34 -2.440 2.981 2.505 294 3HD2 LEU 34 3HD2 LEU 34 -2.492 4.340 3.638 295 H GLU 35 H GLU 35 1.810 2.593 6.131 296 HA GLU 35 HA GLU 35 0.376 0.358 7.277 297 1HB GLU 35 1HB GLU 35 3.047 1.639 7.862 298 2HB GLU 35 2HB GLU 35 2.337 0.540 9.023 299 1HG GLU 35 1HG GLU 35 2.274 -1.214 7.164 300 2HG GLU 35 2HG GLU 35 3.259 -0.147 6.216 301 H ASN 36 H ASN 36 1.464 3.540 8.767 302 HA ASN 36 HA ASN 36 0.051 2.781 11.165 303 1HB ASN 36 1HB ASN 36 0.881 4.637 12.152 304 2HB ASN 36 2HB ASN 36 2.173 4.049 11.136 305 1HD2 ASN 36 1HD2 ASN 36 3.302 5.719 10.358 306 2HD2 ASN 36 2HD2 ASN 36 2.671 7.243 9.784 307 H GLY 37 H GLY 37 -1.200 3.822 8.273 308 1HA GLY 37 1HA GLY 37 -3.389 4.329 7.780 309 2HA GLY 37 2HA GLY 37 -3.756 4.500 9.497 310 H LYS 38 H LYS 38 -1.018 6.322 8.298 311 HA LYS 38 HA LYS 38 -2.347 8.832 8.857 312 1HB LYS 38 1HB LYS 38 0.341 7.905 8.251 313 2HB LYS 38 2HB LYS 38 -0.005 9.292 7.265 314 1HG LYS 38 1HG LYS 38 -0.366 9.296 10.291 315 2HG LYS 38 2HG LYS 38 1.153 9.659 9.479 316 1HD LYS 38 1HD LYS 38 0.317 11.755 9.831 317 2HD LYS 38 2HD LYS 38 -0.134 11.483 8.159 318 1HE LYS 38 1HE LYS 38 -2.200 10.551 10.050 319 2HE LYS 38 2HE LYS 38 -1.759 12.222 10.364 320 1HZ LYS 38 1HZ LYS 38 -3.562 12.116 8.815 321 2HZ LYS 38 2HZ LYS 38 -2.280 12.751 8.067 322 3HZ LYS 38 3HZ LYS 38 -2.730 11.187 7.763 323 H ALA 39 H ALA 39 -1.502 7.109 5.699 324 HA ALA 39 HA ALA 39 -2.914 9.275 4.212 325 1HB ALA 39 1HB ALA 39 -2.139 7.851 2.271 326 2HB ALA 39 2HB ALA 39 -0.799 8.517 3.235 327 3HB ALA 39 3HB ALA 39 -1.301 6.832 3.453 328 H LYS 40 H LYS 40 -4.694 8.719 2.964 329 HA LYS 40 HA LYS 40 -6.145 6.255 3.771 330 1HB LYS 40 1HB LYS 40 -6.951 8.332 4.936 331 2HB LYS 40 2HB LYS 40 -7.421 8.985 3.380 332 1HG LYS 40 1HG LYS 40 -9.291 8.006 4.609 333 2HG LYS 40 2HG LYS 40 -9.045 7.191 3.066 334 1HD LYS 40 1HD LYS 40 -8.123 5.248 4.110 335 2HD LYS 40 2HD LYS 40 -7.954 6.088 5.671 336 1HE LYS 40 1HE LYS 40 -10.460 6.392 5.720 337 2HE LYS 40 2HE LYS 40 -10.568 5.423 4.248 338 1HZ LYS 40 1HZ LYS 40 -9.539 3.579 5.562 339 2HZ LYS 40 2HZ LYS 40 -9.651 4.486 6.914 340 3HZ LYS 40 3HZ LYS 40 -11.002 4.041 6.110 341 H ARG 41 H ARG 41 -6.674 8.927 1.364 342 HA ARG 41 HA ARG 41 -6.525 6.787 -0.713 343 1HB ARG 41 1HB ARG 41 -8.882 7.231 -0.243 344 2HB ARG 41 2HB ARG 41 -8.589 8.943 -0.262 345 1HG ARG 41 1HG ARG 41 -9.500 8.963 -2.215 346 2HG ARG 41 2HG ARG 41 -7.923 8.488 -2.841 347 1HD ARG 41 1HD ARG 41 -8.611 6.356 -3.365 348 2HD ARG 41 2HD ARG 41 -9.761 6.273 -2.020 349 HE ARG 41 HE ARG 41 -11.399 7.216 -3.243 350 1HH1 ARG 41 2HH2 ARG 41 -8.455 7.438 -5.203 351 2HH1 ARG 41 1HH2 ARG 41 -9.062 8.674 -6.258 352 1HH2 ARG 41 2HH1 ARG 41 -12.391 8.361 -4.979 353 2HH2 ARG 41 1HH1 ARG 41 -11.440 8.918 -6.313 354 HA PRO 42 HA PRO 42 -3.605 10.233 -1.460 355 1HB PRO 42 1HB PRO 42 -1.356 8.780 -1.805 356 2HB PRO 42 2HB PRO 42 -1.987 9.160 -0.179 357 1HG PRO 42 1HG PRO 42 -2.355 6.594 -1.756 358 2HG PRO 42 2HG PRO 42 -1.883 6.777 -0.038 359 1HD PRO 42 1HD PRO 42 -4.473 6.292 -0.821 360 2HD PRO 42 2HD PRO 42 -4.134 7.261 0.596 361 H ARG 43 H ARG 43 -2.581 10.777 -3.452 362 HA ARG 43 HA ARG 43 -3.932 10.155 -5.766 363 1HB ARG 43 1HB ARG 43 -2.003 11.200 -6.978 364 2HB ARG 43 2HB ARG 43 -2.634 12.147 -5.633 365 1HG ARG 43 1HG ARG 43 -0.749 11.563 -4.209 366 2HG ARG 43 2HG ARG 43 -0.179 10.353 -5.370 367 1HD ARG 43 1HD ARG 43 1.186 12.381 -5.456 368 2HD ARG 43 2HD ARG 43 0.364 12.054 -6.990 369 HE ARG 43 HE ARG 43 -1.176 13.864 -5.344 370 1HH1 ARG 43 2HH2 ARG 43 1.689 13.702 -7.450 371 2HH1 ARG 43 1HH2 ARG 43 1.535 15.311 -8.047 372 1HH2 ARG 43 2HH1 ARG 43 -1.393 16.056 -6.142 373 2HH2 ARG 43 1HH1 ARG 43 -0.319 16.593 -7.394 374 H PHE 44 H PHE 44 -1.399 8.174 -4.429 375 HA PHE 44 HA PHE 44 -1.014 6.804 -7.028 376 1HB PHE 44 1HB PHE 44 0.995 5.954 -6.103 377 2HB PHE 44 2HB PHE 44 0.953 7.676 -5.777 378 HD1 PHE 44 1HD PHE 44 0.982 4.336 -4.369 379 HD2 PHE 44 2HD PHE 44 0.570 8.505 -3.410 380 HE1 PHE 44 1HE PHE 44 1.401 3.831 -1.960 381 HE2 PHE 44 2HE PHE 44 0.863 7.977 -1.012 382 HZ PHE 44 HZ PHE 44 1.235 5.631 -0.273 383 H LEU 45 H LEU 45 -3.243 6.397 -4.495 384 HA LEU 45 HA LEU 45 -2.976 3.797 -3.645 385 1HB LEU 45 1HB LEU 45 -4.577 5.588 -2.865 386 2HB LEU 45 2HB LEU 45 -5.519 5.328 -4.321 387 HG LEU 45 HG LEU 45 -5.606 2.862 -3.593 388 1HD1 LEU 45 1HD1 LEU 45 -5.513 2.489 -1.128 389 2HD1 LEU 45 2HD1 LEU 45 -3.932 2.940 -1.780 390 3HD1 LEU 45 3HD1 LEU 45 -4.913 4.131 -0.899 391 1HD2 LEU 45 1HD2 LEU 45 -7.578 3.240 -2.159 392 2HD2 LEU 45 2HD2 LEU 45 -7.095 4.934 -1.937 393 3HD2 LEU 45 3HD2 LEU 45 -7.564 4.334 -3.546 394 HA PRO 46 HA PRO 46 -5.262 2.084 -7.424 395 1HB PRO 46 1HB PRO 46 -5.100 3.431 -9.843 396 2HB PRO 46 2HB PRO 46 -6.478 3.523 -8.710 397 1HG PRO 46 1HG PRO 46 -4.185 5.460 -9.029 398 2HG PRO 46 2HG PRO 46 -5.927 5.808 -8.793 399 1HD PRO 46 1HD PRO 46 -4.124 5.940 -6.798 400 2HD PRO 46 2HD PRO 46 -5.788 5.380 -6.508 401 H GLU 47 H GLU 47 -2.229 3.864 -7.793 402 HA GLU 47 HA GLU 47 -1.158 1.959 -9.736 403 1HB GLU 47 1HB GLU 47 -0.115 4.431 -8.306 404 2HB GLU 47 2HB GLU 47 0.987 3.300 -9.080 405 1HG GLU 47 1HG GLU 47 0.539 4.981 -10.680 406 2HG GLU 47 2HG GLU 47 -0.278 3.527 -11.220 407 H LEU 48 H LEU 48 -0.914 2.633 -6.213 408 HA LEU 48 HA LEU 48 0.996 0.560 -5.687 409 1HB LEU 48 1HB LEU 48 0.396 2.313 -4.034 410 2HB LEU 48 2HB LEU 48 -1.184 1.585 -3.828 411 HG LEU 48 HG LEU 48 1.015 -0.404 -3.563 412 1HD1 LEU 48 1HD1 LEU 48 2.017 0.310 -1.545 413 2HD1 LEU 48 2HD1 LEU 48 2.238 1.602 -2.730 414 3HD1 LEU 48 3HD1 LEU 48 0.994 1.754 -1.453 415 1HD2 LEU 48 1HD2 LEU 48 -1.228 -0.882 -2.763 416 2HD2 LEU 48 2HD2 LEU 48 -0.111 -0.873 -1.388 417 3HD2 LEU 48 3HD2 LEU 48 -1.179 0.520 -1.663 418 H ALA 49 H ALA 49 -2.598 0.613 -5.680 419 HA ALA 49 HA ALA 49 -2.861 -2.138 -5.006 420 1HB ALA 49 1HB ALA 49 -4.768 -0.519 -4.989 421 2HB ALA 49 2HB ALA 49 -4.732 -0.470 -6.764 422 3HB ALA 49 3HB ALA 49 -5.137 -1.976 -5.919 423 H ARG 50 H ARG 50 -2.660 -0.627 -8.265 424 HA ARG 50 HA ARG 50 -2.876 -3.003 -9.767 425 1HB ARG 50 1HB ARG 50 -2.984 -0.628 -10.625 426 2HB ARG 50 2HB ARG 50 -1.247 -0.485 -10.361 427 1HG ARG 50 1HG ARG 50 -1.022 -2.486 -11.992 428 2HG ARG 50 2HG ARG 50 -2.742 -2.256 -12.331 429 1HD ARG 50 1HD ARG 50 -1.490 -1.070 -14.015 430 2HD ARG 50 2HD ARG 50 -2.253 0.130 -12.962 431 HE ARG 50 HE ARG 50 0.556 -0.748 -12.483 432 1HH1 ARG 50 2HH2 ARG 50 -1.585 1.973 -13.441 433 2HH1 ARG 50 1HH2 ARG 50 -0.247 3.037 -13.738 434 1HH2 ARG 50 2HH1 ARG 50 2.180 0.745 -12.553 435 2HH2 ARG 50 1HH1 ARG 50 1.934 2.360 -13.163 436 H ALA 51 H ALA 51 0.101 -1.336 -8.548 437 HA ALA 51 HA ALA 51 1.839 -3.331 -9.574 438 1HB ALA 51 1HB ALA 51 2.411 -0.921 -8.791 439 2HB ALA 51 2HB ALA 51 2.467 -1.630 -7.160 440 3HB ALA 51 3HB ALA 51 3.569 -2.198 -8.442 441 H LEU 52 H LEU 52 -0.015 -3.145 -6.512 442 HA LEU 52 HA LEU 52 1.435 -5.282 -5.215 443 1HB LEU 52 1HB LEU 52 0.187 -3.449 -4.125 444 2HB LEU 52 2HB LEU 52 -1.322 -4.201 -4.626 445 HG LEU 52 HG LEU 52 -0.827 -6.104 -3.172 446 1HD1 LEU 52 1HD1 LEU 52 1.230 -5.968 -1.636 447 2HD1 LEU 52 2HD1 LEU 52 1.598 -6.351 -3.313 448 3HD1 LEU 52 3HD1 LEU 52 1.856 -4.700 -2.699 449 1HD2 LEU 52 1HD2 LEU 52 -1.838 -3.990 -2.316 450 2HD2 LEU 52 2HD2 LEU 52 -0.946 -4.841 -1.055 451 3HD2 LEU 52 3HD2 LEU 52 -0.222 -3.426 -1.841 452 H GLY 53 H GLY 53 -1.221 -5.105 -7.535 453 1HA GLY 53 1HA GLY 53 -2.153 -6.859 -8.745 454 2HA GLY 53 2HA GLY 53 -1.386 -8.041 -7.675 455 H VAL 54 H VAL 54 -3.409 -5.200 -6.795 456 HA VAL 54 HA VAL 54 -5.669 -6.910 -6.156 457 HB VAL 54 HB VAL 54 -6.024 -6.053 -3.930 458 1HG1 VAL 54 1HG1 VAL 54 -3.123 -6.958 -4.037 459 2HG1 VAL 54 2HG1 VAL 54 -4.240 -7.057 -2.657 460 3HG1 VAL 54 3HG1 VAL 54 -4.543 -8.038 -4.088 461 1HG2 VAL 54 1HG2 VAL 54 -5.249 -3.838 -3.984 462 2HG2 VAL 54 2HG2 VAL 54 -4.240 -4.666 -2.793 463 3HG2 VAL 54 3HG2 VAL 54 -3.589 -4.333 -4.406 464 H ALA 55 H ALA 55 -7.558 -5.234 -5.571 465 HA ALA 55 HA ALA 55 -7.372 -2.998 -7.552 466 1HB ALA 55 1HB ALA 55 -9.826 -2.992 -7.425 467 2HB ALA 55 2HB ALA 55 -9.217 -4.605 -7.826 468 3HB ALA 55 3HB ALA 55 -9.780 -4.259 -6.175 469 H VAL 56 H VAL 56 -8.269 -0.906 -6.951 470 HA VAL 56 HA VAL 56 -7.767 0.165 -4.346 471 HB VAL 56 HB VAL 56 -9.552 0.924 -6.691 472 1HG1 VAL 56 1HG1 VAL 56 -9.062 2.546 -4.163 473 2HG1 VAL 56 2HG1 VAL 56 -9.755 3.192 -5.673 474 3HG1 VAL 56 3HG1 VAL 56 -10.621 1.953 -4.773 475 1HG2 VAL 56 1HG2 VAL 56 -7.110 1.062 -7.040 476 2HG2 VAL 56 2HG2 VAL 56 -7.789 2.687 -6.977 477 3HG2 VAL 56 3HG2 VAL 56 -6.924 2.039 -5.569 478 H ASP 57 H ASP 57 -10.664 -1.445 -5.749 479 HA ASP 57 HA ASP 57 -12.339 -1.078 -3.513 480 1HB ASP 57 1HB ASP 57 -12.928 -2.221 -5.725 481 2HB ASP 57 2HB ASP 57 -12.122 -3.675 -5.117 482 H TRP 58 H TRP 58 -9.816 -3.565 -3.903 483 HA TRP 58 HA TRP 58 -10.453 -4.885 -1.411 484 1HB TRP 58 1HB TRP 58 -9.224 -5.901 -3.300 485 2HB TRP 58 2HB TRP 58 -7.900 -4.777 -3.003 486 HD1 TRP 58 HD TRP 58 -9.483 -7.912 -1.751 487 HE1 TRP 58 1HE TRP 58 -7.931 -9.146 -0.144 488 HE3 TRP 58 3HE TRP 58 -5.911 -4.344 -1.305 489 HZ2 TRP 58 2HZ TRP 58 -5.436 -8.570 1.256 490 HZ3 TRP 58 3HZ TRP 58 -3.841 -4.761 0.041 491 HH2 TRP 58 HH TRP 58 -3.642 -6.869 1.374 492 H LEU 59 H LEU 59 -8.276 -2.260 -2.438 493 HA LEU 59 HA LEU 59 -7.101 -1.976 0.153 494 1HB LEU 59 1HB LEU 59 -7.055 -0.427 -2.429 495 2HB LEU 59 2HB LEU 59 -6.616 0.420 -0.984 496 HG LEU 59 HG LEU 59 -5.265 -2.001 -2.231 497 1HD1 LEU 59 1HD1 LEU 59 -4.031 0.619 -1.336 498 2HD1 LEU 59 2HD1 LEU 59 -3.420 -0.561 -2.511 499 3HD1 LEU 59 3HD1 LEU 59 -4.810 0.452 -2.920 500 1HD2 LEU 59 1HD2 LEU 59 -3.546 -1.861 -0.375 501 2HD2 LEU 59 2HD2 LEU 59 -4.689 -0.854 0.541 502 3HD2 LEU 59 3HD2 LEU 59 -5.083 -2.544 0.128 503 H LEU 60 H LEU 60 -9.887 -0.359 -1.295 504 HA LEU 60 HA LEU 60 -10.234 1.481 0.947 505 1HB LEU 60 1HB LEU 60 -12.034 0.401 -1.264 506 2HB LEU 60 2HB LEU 60 -12.665 1.417 0.018 507 HG LEU 60 HG LEU 60 -10.382 2.251 -1.838 508 1HD1 LEU 60 1HD1 LEU 60 -12.049 3.607 -3.031 509 2HD1 LEU 60 2HD1 LEU 60 -12.477 1.887 -3.100 510 3HD1 LEU 60 3HD1 LEU 60 -13.338 2.968 -1.987 511 1HD2 LEU 60 1HD2 LEU 60 -10.359 3.541 0.250 512 2HD2 LEU 60 2HD2 LEU 60 -10.958 4.553 -1.065 513 3HD2 LEU 60 3HD2 LEU 60 -12.103 3.865 0.100 514 H ASN 61 H ASN 61 -11.788 -1.573 -0.092 515 HA ASN 61 HA ASN 61 -13.010 -1.830 2.555 516 1HB ASN 61 1HB ASN 61 -13.658 -3.459 0.080 517 2HB ASN 61 2HB ASN 61 -14.621 -3.144 1.519 518 1HD2 ASN 61 1HD2 ASN 61 -13.829 -2.034 -1.672 519 2HD2 ASN 61 2HD2 ASN 61 -14.967 -0.707 -1.640 520 H GLY 62 H GLY 62 -11.636 -4.225 0.171 521 1HA GLY 62 1HA GLY 62 -10.014 -5.847 0.668 522 2HA GLY 62 2HA GLY 62 -10.272 -5.603 2.385 523 H ALA 63 H ALA 63 -12.107 -6.690 -0.494 524 HA ALA 63 HA ALA 63 -13.490 -8.422 -0.862 525 1HB ALA 63 1HB ALA 63 -11.309 -9.445 -1.086 526 2HB ALA 63 2HB ALA 63 -11.253 -9.812 0.653 527 3HB ALA 63 3HB ALA 63 -12.439 -10.618 -0.388 Start of MODEL 16 1 1H MET 0 H MET 0 -10.591 -6.203 8.040 2 HA MET 0 HA MET 0 -8.690 -5.856 10.176 3 1HB MET 0 1HB MET 0 -6.715 -6.239 8.764 4 2HB MET 0 2HB MET 0 -7.616 -7.719 9.050 5 1HG MET 0 1HG MET 0 -7.823 -6.080 6.502 6 2HG MET 0 2HG MET 0 -6.691 -7.402 6.730 7 1HE MET 0 1HE MET 0 -7.578 -8.303 4.424 8 2HE MET 0 2HE MET 0 -9.174 -9.055 4.201 9 3HE MET 0 3HE MET 0 -9.033 -7.294 4.234 10 H LEU 1 H LEU 1 -7.214 -3.977 9.576 11 HA LEU 1 HA LEU 1 -8.877 -1.866 8.386 12 1HB LEU 1 1HB LEU 1 -6.152 -1.414 9.574 13 2HB LEU 1 2HB LEU 1 -7.510 -0.333 9.431 14 HG LEU 1 HG LEU 1 -8.746 -1.689 11.187 15 1HD1 LEU 1 1HD1 LEU 1 -7.071 -2.869 12.797 16 2HD1 LEU 1 2HD1 LEU 1 -7.602 -3.787 11.417 17 3HD1 LEU 1 3HD1 LEU 1 -5.997 -3.006 11.399 18 1HD2 LEU 1 1HD2 LEU 1 -6.103 -0.505 12.078 19 2HD2 LEU 1 2HD2 LEU 1 -7.524 0.472 11.624 20 3HD2 LEU 1 3HD2 LEU 1 -7.590 -0.604 13.023 21 H MET 2 H MET 2 -7.478 -0.140 7.191 22 HA MET 2 HA MET 2 -6.560 -1.378 4.736 23 1HB MET 2 1HB MET 2 -6.842 1.442 5.777 24 2HB MET 2 2HB MET 2 -5.606 1.183 4.551 25 1HG MET 2 1HG MET 2 -7.282 0.022 3.122 26 2HG MET 2 2HG MET 2 -8.525 0.356 4.329 27 1HE MET 2 1HE MET 2 -5.726 2.376 2.244 28 2HE MET 2 2HE MET 2 -6.758 1.368 1.195 29 3HE MET 2 3HE MET 2 -6.858 3.139 1.106 30 H GLY 3 H GLY 3 -4.778 0.465 7.285 31 1HA GLY 3 1HA GLY 3 -2.210 0.226 6.325 32 2HA GLY 3 2HA GLY 3 -2.603 0.209 8.047 33 H GLU 4 H GLU 4 -3.625 -2.119 8.679 34 HA GLU 4 HA GLU 4 -1.592 -4.060 8.545 35 1HB GLU 4 1HB GLU 4 -4.534 -4.045 9.298 36 2HB GLU 4 2HB GLU 4 -3.736 -5.601 9.115 37 1HG GLU 4 1HG GLU 4 -3.741 -4.820 11.450 38 2HG GLU 4 2HG GLU 4 -2.132 -5.138 10.802 39 H ARG 5 H ARG 5 -4.512 -3.722 6.483 40 HA ARG 5 HA ARG 5 -4.191 -6.183 5.071 41 1HB ARG 5 1HB ARG 5 -6.261 -5.029 5.160 42 2HB ARG 5 2HB ARG 5 -5.578 -3.537 4.487 43 1HG ARG 5 1HG ARG 5 -5.312 -4.472 2.353 44 2HG ARG 5 2HG ARG 5 -5.578 -6.115 3.004 45 1HD ARG 5 1HD ARG 5 -7.470 -5.183 1.677 46 2HD ARG 5 2HD ARG 5 -7.871 -5.783 3.291 47 HE ARG 5 HE ARG 5 -7.903 -3.009 2.321 48 1HH1 ARG 5 2HH2 ARG 5 -8.547 -5.151 5.079 49 2HH1 ARG 5 1HH2 ARG 5 -9.532 -3.997 5.900 50 1HH2 ARG 5 2HH1 ARG 5 -9.222 -1.607 3.272 51 2HH2 ARG 5 1HH1 ARG 5 -9.975 -1.850 4.790 52 H ILE 6 H ILE 6 -3.064 -2.878 4.366 53 HA ILE 6 HA ILE 6 -1.751 -3.450 1.902 54 HB ILE 6 HB ILE 6 -1.461 -1.281 4.024 55 1HG1 ILE 6 1HG1 ILE 6 -2.477 -1.056 1.159 56 2HG1 ILE 6 2HG1 ILE 6 -3.541 -1.461 2.505 57 1HG2 ILE 6 1HG2 ILE 6 -0.012 -1.430 1.352 58 2HG2 ILE 6 2HG2 ILE 6 -0.083 0.017 2.399 59 3HG2 ILE 6 3HG2 ILE 6 0.691 -1.437 2.995 60 1HD1 ILE 6 1HD1 ILE 6 -2.909 0.685 3.628 61 2HD1 ILE 6 2HD1 ILE 6 -1.995 1.127 2.165 62 3HD1 ILE 6 3HD1 ILE 6 -3.744 0.885 2.073 63 H ARG 7 H ARG 7 -0.555 -3.372 5.320 64 HA ARG 7 HA ARG 7 2.157 -3.966 4.710 65 1HB ARG 7 1HB ARG 7 1.086 -3.126 6.885 66 2HB ARG 7 2HB ARG 7 0.626 -4.781 7.225 67 1HG ARG 7 1HG ARG 7 3.481 -3.857 6.729 68 2HG ARG 7 2HG ARG 7 2.724 -3.855 8.323 69 1HD ARG 7 1HD ARG 7 2.305 -6.402 7.799 70 2HD ARG 7 2HD ARG 7 3.606 -6.186 6.628 71 HE ARG 7 HE ARG 7 3.860 -6.618 9.368 72 1HH1 ARG 7 2HH2 ARG 7 5.194 -3.918 7.404 73 2HH1 ARG 7 1HH2 ARG 7 6.705 -4.003 8.250 74 1HH2 ARG 7 2HH1 ARG 7 5.871 -6.636 10.355 75 2HH2 ARG 7 1HH1 ARG 7 7.093 -5.490 9.939 76 H ALA 8 H ALA 8 -0.578 -6.116 5.520 77 HA ALA 8 HA ALA 8 0.924 -8.511 5.540 78 1HB ALA 8 1HB ALA 8 -1.281 -8.272 6.602 79 2HB ALA 8 2HB ALA 8 -2.051 -8.113 4.998 80 3HB ALA 8 3HB ALA 8 -1.260 -9.631 5.477 81 H ARG 9 H ARG 9 -0.993 -6.974 2.861 82 HA ARG 9 HA ARG 9 -0.367 -9.130 1.050 83 1HB ARG 9 1HB ARG 9 -2.303 -7.846 0.660 84 2HB ARG 9 2HB ARG 9 -1.404 -6.328 0.593 85 1HG ARG 9 1HG ARG 9 -2.117 -6.988 -1.617 86 2HG ARG 9 2HG ARG 9 -0.372 -7.024 -1.509 87 1HD ARG 9 1HD ARG 9 -0.594 -9.585 -1.164 88 2HD ARG 9 2HD ARG 9 -2.269 -9.380 -1.703 89 HE ARG 9 HE ARG 9 -0.522 -7.974 -3.463 90 1HH1 ARG 9 2HH2 ARG 9 -1.230 -11.465 -2.785 91 2HH1 ARG 9 1HH2 ARG 9 -0.481 -11.980 -4.237 92 1HH2 ARG 9 2HH1 ARG 9 0.474 -8.723 -5.235 93 2HH2 ARG 9 1HH1 ARG 9 0.492 -10.405 -5.699 94 H ARG 10 H ARG 10 1.359 -5.999 1.714 95 HA ARG 10 HA ARG 10 3.325 -6.286 -0.289 96 1HB ARG 10 1HB ARG 10 2.966 -4.387 1.291 97 2HB ARG 10 2HB ARG 10 3.674 -5.305 2.592 98 1HG ARG 10 1HG ARG 10 5.810 -5.326 1.689 99 2HG ARG 10 2HG ARG 10 5.270 -4.936 0.056 100 1HD ARG 10 1HD ARG 10 6.518 -3.157 1.456 101 2HD ARG 10 2HD ARG 10 5.178 -2.669 0.467 102 HE ARG 10 HE ARG 10 5.341 -2.690 3.356 103 1HH1 ARG 10 2HH2 ARG 10 3.260 -2.037 0.602 104 2HH1 ARG 10 1HH2 ARG 10 1.977 -1.370 1.572 105 1HH2 ARG 10 2HH1 ARG 10 3.700 -1.833 4.609 106 2HH2 ARG 10 1HH1 ARG 10 2.282 -1.168 3.923 107 H ILE 11 H ILE 11 3.369 -7.472 3.036 108 HA ILE 11 HA ILE 11 5.701 -9.112 2.764 109 HB ILE 11 HB ILE 11 3.301 -9.212 4.602 110 1HG1 ILE 11 1HG1 ILE 11 4.723 -7.273 4.957 111 2HG1 ILE 11 2HG1 ILE 11 4.971 -8.381 6.292 112 1HG2 ILE 11 1HG2 ILE 11 5.737 -11.018 4.767 113 2HG2 ILE 11 2HG2 ILE 11 4.607 -10.728 6.111 114 3HG2 ILE 11 3HG2 ILE 11 4.031 -11.486 4.632 115 1HD1 ILE 11 1HD1 ILE 11 7.103 -9.169 5.080 116 2HD1 ILE 11 2HD1 ILE 11 6.864 -7.805 3.972 117 3HD1 ILE 11 3HD1 ILE 11 7.116 -7.508 5.693 118 H GLN 12 H GLN 12 2.324 -9.915 2.021 119 HA GLN 12 HA GLN 12 2.880 -12.597 1.294 120 1HB GLN 12 1HB GLN 12 0.581 -11.139 1.415 121 2HB GLN 12 2HB GLN 12 0.839 -11.116 -0.320 122 1HG GLN 12 1HG GLN 12 1.168 -13.740 0.025 123 2HG GLN 12 2HG GLN 12 0.306 -13.447 1.535 124 1HE2 GLN 12 1HE2 GLN 12 -1.957 -13.667 1.325 125 2HE2 GLN 12 2HE2 GLN 12 -2.825 -13.454 -0.182 126 H LEU 13 H LEU 13 3.529 -9.653 -0.498 127 HA LEU 13 HA LEU 13 4.397 -11.141 -2.896 128 1HB LEU 13 1HB LEU 13 3.309 -8.895 -3.038 129 2HB LEU 13 2HB LEU 13 4.698 -8.203 -2.207 130 HG LEU 13 HG LEU 13 6.171 -8.777 -4.083 131 1HD1 LEU 13 1HD1 LEU 13 5.229 -10.857 -4.919 132 2HD1 LEU 13 2HD1 LEU 13 3.696 -10.049 -5.331 133 3HD1 LEU 13 3HD1 LEU 13 5.192 -9.673 -6.218 134 1HD2 LEU 13 1HD2 LEU 13 3.580 -7.484 -5.053 135 2HD2 LEU 13 2HD2 LEU 13 4.886 -6.652 -4.181 136 3HD2 LEU 13 3HD2 LEU 13 5.185 -7.325 -5.792 137 H GLY 14 H GLY 14 5.631 -10.196 0.147 138 1HA GLY 14 1HA GLY 14 7.462 -10.919 1.230 139 2HA GLY 14 2HA GLY 14 7.911 -11.835 -0.192 140 H LEU 15 H LEU 15 7.501 -8.244 -0.186 141 HA LEU 15 HA LEU 15 10.360 -7.825 -0.250 142 1HB LEU 15 1HB LEU 15 10.234 -6.824 -2.205 143 2HB LEU 15 2HB LEU 15 8.897 -7.899 -2.481 144 HG LEU 15 HG LEU 15 8.590 -5.066 -1.410 145 1HD1 LEU 15 1HD1 LEU 15 8.285 -6.082 -4.275 146 2HD1 LEU 15 2HD1 LEU 15 7.963 -4.418 -3.733 147 3HD1 LEU 15 3HD1 LEU 15 9.611 -5.061 -3.726 148 1HD2 LEU 15 1HD2 LEU 15 6.641 -6.996 -2.652 149 2HD2 LEU 15 2HD2 LEU 15 6.680 -6.500 -0.957 150 3HD2 LEU 15 3HD2 LEU 15 6.268 -5.316 -2.207 151 H ASN 16 H ASN 16 10.829 -5.549 0.117 152 HA ASN 16 HA ASN 16 9.662 -4.857 2.746 153 1HB ASN 16 1HB ASN 16 11.882 -3.496 1.155 154 2HB ASN 16 2HB ASN 16 11.401 -3.027 2.753 155 1HD2 ASN 16 1HD2 ASN 16 12.940 -5.669 0.920 156 2HD2 ASN 16 2HD2 ASN 16 13.914 -6.151 2.292 157 H GLN 17 H GLN 17 9.242 -2.477 3.283 158 HA GLN 17 HA GLN 17 7.369 -1.156 1.648 159 1HB GLN 17 1HB GLN 17 9.401 -0.036 3.627 160 2HB GLN 17 2HB GLN 17 8.057 0.871 2.907 161 1HG GLN 17 1HG GLN 17 6.473 -0.780 3.943 162 2HG GLN 17 2HG GLN 17 7.843 -1.505 4.782 163 1HE2 GLN 17 1HE2 GLN 17 5.905 -0.601 6.296 164 2HE2 GLN 17 2HE2 GLN 17 6.448 0.871 7.164 165 H ALA 18 H ALA 18 10.941 -0.505 1.872 166 HA ALA 18 HA ALA 18 10.802 1.679 0.133 167 1HB ALA 18 1HB ALA 18 12.682 1.148 1.731 168 2HB ALA 18 2HB ALA 18 13.223 -0.101 0.579 169 3HB ALA 18 3HB ALA 18 13.199 1.608 0.105 170 H GLU 19 H GLU 19 11.595 -1.759 -0.562 171 HA GLU 19 HA GLU 19 11.992 -1.442 -3.322 172 1HB GLU 19 1HB GLU 19 10.683 -3.806 -1.874 173 2HB GLU 19 2HB GLU 19 11.496 -3.848 -3.440 174 1HG GLU 19 1HG GLU 19 13.629 -3.210 -2.246 175 2HG GLU 19 2HG GLU 19 12.792 -3.329 -0.728 176 H LEU 20 H LEU 20 8.928 -2.160 -1.591 177 HA LEU 20 HA LEU 20 7.297 -2.235 -3.933 178 1HB LEU 20 1HB LEU 20 6.536 -2.875 -1.590 179 2HB LEU 20 2HB LEU 20 6.517 -1.161 -1.185 180 HG LEU 20 HG LEU 20 4.911 -0.887 -3.244 181 1HD1 LEU 20 1HD1 LEU 20 5.272 -3.230 -4.113 182 2HD1 LEU 20 2HD1 LEU 20 4.575 -3.867 -2.622 183 3HD1 LEU 20 3HD1 LEU 20 3.560 -2.914 -3.725 184 1HD2 LEU 20 1HD2 LEU 20 4.259 -0.801 -0.775 185 2HD2 LEU 20 2HD2 LEU 20 2.994 -1.149 -1.967 186 3HD2 LEU 20 3HD2 LEU 20 3.669 -2.480 -1.018 187 H ALA 21 H ALA 21 8.082 0.409 -1.746 188 HA ALA 21 HA ALA 21 6.775 2.535 -2.925 189 1HB ALA 21 1HB ALA 21 8.300 3.966 -1.732 190 2HB ALA 21 2HB ALA 21 8.042 2.543 -0.710 191 3HB ALA 21 3HB ALA 21 9.532 2.718 -1.622 192 H GLN 22 H GLN 22 10.162 1.497 -3.583 193 HA GLN 22 HA GLN 22 10.853 3.478 -5.417 194 1HB GLN 22 1HB GLN 22 12.368 1.861 -4.267 195 2HB GLN 22 2HB GLN 22 11.691 0.549 -5.194 196 1HG GLN 22 1HG GLN 22 13.874 1.224 -6.070 197 2HG GLN 22 2HG GLN 22 12.619 1.492 -7.266 198 1HE2 GLN 22 1HE2 GLN 22 12.650 3.501 -8.246 199 2HE2 GLN 22 2HE2 GLN 22 13.437 4.938 -7.553 200 H LYS 23 H LYS 23 9.499 0.161 -5.990 201 HA LYS 23 HA LYS 23 9.417 0.457 -8.785 202 1HB LYS 23 1HB LYS 23 8.872 -1.682 -8.707 203 2HB LYS 23 2HB LYS 23 9.132 -1.602 -6.990 204 1HG LYS 23 1HG LYS 23 6.638 -1.149 -6.713 205 2HG LYS 23 2HG LYS 23 6.471 -1.399 -8.460 206 1HD LYS 23 1HD LYS 23 7.477 -3.659 -8.173 207 2HD LYS 23 2HD LYS 23 7.512 -3.407 -6.416 208 1HE LYS 23 1HE LYS 23 5.129 -3.292 -6.255 209 2HE LYS 23 2HE LYS 23 4.920 -2.985 -7.963 210 1HZ LYS 23 1HZ LYS 23 6.041 -5.553 -6.982 211 2HZ LYS 23 2HZ LYS 23 4.421 -5.328 -7.247 212 3HZ LYS 23 3HZ LYS 23 5.489 -5.220 -8.477 213 H VAL 24 H VAL 24 6.932 1.463 -6.247 214 HA VAL 24 HA VAL 24 4.957 1.850 -8.304 215 HB VAL 24 HB VAL 24 5.077 3.074 -5.555 216 1HG1 VAL 24 1HG1 VAL 24 2.577 2.854 -5.761 217 2HG1 VAL 24 2HG1 VAL 24 3.212 3.668 -7.208 218 3HG1 VAL 24 3HG1 VAL 24 2.794 1.944 -7.274 219 1HG2 VAL 24 1HG2 VAL 24 4.983 1.175 -4.474 220 2HG2 VAL 24 2HG2 VAL 24 3.436 0.823 -5.188 221 3HG2 VAL 24 3HG2 VAL 24 4.894 0.206 -5.970 222 H GLY 25 H GLY 25 7.441 3.811 -6.593 223 1HA GLY 25 1HA GLY 25 8.479 5.697 -7.587 224 2HA GLY 25 2HA GLY 25 6.977 6.075 -8.445 225 H VAL 26 H VAL 26 6.953 5.128 -5.070 226 HA VAL 26 HA VAL 26 6.458 7.877 -4.194 227 HB VAL 26 HB VAL 26 5.129 6.921 -2.515 228 1HG1 VAL 26 1HG1 VAL 26 3.211 6.292 -3.763 229 2HG1 VAL 26 2HG1 VAL 26 4.119 7.422 -4.772 230 3HG1 VAL 26 3HG1 VAL 26 4.173 5.679 -5.117 231 1HG2 VAL 26 1HG2 VAL 26 4.378 4.590 -2.412 232 2HG2 VAL 26 2HG2 VAL 26 5.550 4.167 -3.679 233 3HG2 VAL 26 3HG2 VAL 26 6.108 4.739 -2.089 234 H ASP 27 H ASP 27 7.162 8.012 -1.694 235 HA ASP 27 HA ASP 27 9.914 7.094 -1.451 236 1HB ASP 27 1HB ASP 27 9.168 8.217 0.951 237 2HB ASP 27 2HB ASP 27 10.007 9.029 -0.359 238 H GLN 28 H GLN 28 10.537 5.893 0.583 239 HA GLN 28 HA GLN 28 8.879 3.604 1.198 240 1HB GLN 28 1HB GLN 28 11.399 3.791 1.704 241 2HB GLN 28 2HB GLN 28 10.927 4.818 3.081 242 1HG GLN 28 1HG GLN 28 9.254 2.856 3.647 243 2HG GLN 28 2HG GLN 28 10.241 1.925 2.545 244 1HE2 GLN 28 1HE2 GLN 28 10.199 3.718 5.624 245 2HE2 GLN 28 2HE2 GLN 28 11.576 2.884 6.316 246 H GLN 29 H GLN 29 9.384 6.842 2.592 247 HA GLN 29 HA GLN 29 7.863 6.691 4.869 248 1HB GLN 29 1HB GLN 29 9.356 8.591 3.918 249 2HB GLN 29 2HB GLN 29 7.907 9.171 3.121 250 1HG GLN 29 1HG GLN 29 6.771 9.277 5.366 251 2HG GLN 29 2HG GLN 29 8.267 8.706 6.122 252 1HE2 GLN 29 1HE2 GLN 29 6.831 11.361 4.255 253 2HE2 GLN 29 2HE2 GLN 29 8.021 12.586 4.679 254 H ALA 30 H ALA 30 6.705 7.310 1.507 255 HA ALA 30 HA ALA 30 3.989 7.702 2.200 256 1HB ALA 30 1HB ALA 30 4.916 8.335 -0.004 257 2HB ALA 30 2HB ALA 30 5.145 6.606 -0.369 258 3HB ALA 30 3HB ALA 30 3.517 7.272 -0.170 259 H ILE 31 H ILE 31 5.792 4.657 1.860 260 HA ILE 31 HA ILE 31 3.336 3.050 1.975 261 HB ILE 31 HB ILE 31 6.262 2.289 2.486 262 1HG1 ILE 31 1HG1 ILE 31 6.218 3.060 0.270 263 2HG1 ILE 31 2HG1 ILE 31 6.256 1.307 0.255 264 1HG2 ILE 31 1HG2 ILE 31 4.733 0.677 3.422 265 2HG2 ILE 31 2HG2 ILE 31 3.750 0.682 1.948 266 3HG2 ILE 31 3HG2 ILE 31 5.401 0.004 1.923 267 1HD1 ILE 31 1HD1 ILE 31 4.819 2.079 -1.525 268 2HD1 ILE 31 2HD1 ILE 31 3.798 1.326 -0.289 269 3HD1 ILE 31 3HD1 ILE 31 3.884 3.097 -0.415 270 H GLU 32 H GLU 32 5.953 4.120 4.184 271 HA GLU 32 HA GLU 32 5.205 2.731 6.494 272 1HB GLU 32 1HB GLU 32 7.346 4.052 6.001 273 2HB GLU 32 2HB GLU 32 6.425 5.520 6.281 274 1HG GLU 32 1HG GLU 32 7.448 5.223 8.306 275 2HG GLU 32 2HG GLU 32 5.871 4.511 8.626 276 H GLN 33 H GLN 33 4.317 6.001 5.425 277 HA GLN 33 HA GLN 33 2.587 6.610 7.602 278 1HB GLN 33 1HB GLN 33 2.067 8.576 6.387 279 2HB GLN 33 2HB GLN 33 3.697 8.190 5.884 280 1HG GLN 33 1HG GLN 33 2.676 7.003 3.908 281 2HG GLN 33 2HG GLN 33 1.108 7.651 4.383 282 1HE2 GLN 33 1HE2 GLN 33 1.359 8.392 2.055 283 2HE2 GLN 33 2HE2 GLN 33 2.167 9.900 1.742 284 H LEU 34 H LEU 34 2.036 4.829 4.530 285 HA LEU 34 HA LEU 34 -0.812 4.899 4.811 286 1HB LEU 34 1HB LEU 34 1.201 3.768 2.981 287 2HB LEU 34 2HB LEU 34 -0.106 2.660 3.226 288 HG LEU 34 HG LEU 34 -0.421 5.596 2.508 289 1HD1 LEU 34 1HD1 LEU 34 -0.900 4.736 0.197 290 2HD1 LEU 34 2HD1 LEU 34 0.676 4.120 0.741 291 3HD1 LEU 34 3HD1 LEU 34 -0.749 3.069 0.775 292 1HD2 LEU 34 1HD2 LEU 34 -2.525 3.387 2.436 293 2HD2 LEU 34 2HD2 LEU 34 -2.501 4.766 3.538 294 3HD2 LEU 34 3HD2 LEU 34 -2.736 5.034 1.811 295 H GLU 35 H GLU 35 1.784 2.693 5.898 296 HA GLU 35 HA GLU 35 0.014 0.605 6.881 297 1HB GLU 35 1HB GLU 35 2.820 1.446 7.729 298 2HB GLU 35 2HB GLU 35 1.907 0.121 8.460 299 1HG GLU 35 1HG GLU 35 1.785 -0.994 6.227 300 2HG GLU 35 2HG GLU 35 2.822 0.271 5.580 301 H ASN 36 H ASN 36 1.420 3.647 8.351 302 HA ASN 36 HA ASN 36 0.172 2.922 10.829 303 1HB ASN 36 1HB ASN 36 1.356 4.596 11.821 304 2HB ASN 36 2HB ASN 36 2.422 3.911 10.613 305 1HD2 ASN 36 1HD2 ASN 36 3.779 5.562 10.250 306 2HD2 ASN 36 2HD2 ASN 36 3.335 7.137 9.647 307 H GLY 37 H GLY 37 -1.179 4.199 8.128 308 1HA GLY 37 1HA GLY 37 -3.348 4.869 7.801 309 2HA GLY 37 2HA GLY 37 -3.578 5.066 9.536 310 H LYS 38 H LYS 38 -0.763 6.694 8.208 311 HA LYS 38 HA LYS 38 -1.915 9.269 8.845 312 1HB LYS 38 1HB LYS 38 0.708 8.148 8.067 313 2HB LYS 38 2HB LYS 38 0.400 9.674 7.315 314 1HG LYS 38 1HG LYS 38 0.105 9.320 10.317 315 2HG LYS 38 2HG LYS 38 1.660 9.604 9.543 316 1HD LYS 38 1HD LYS 38 0.970 11.709 10.215 317 2HD LYS 38 2HD LYS 38 0.699 11.712 8.489 318 1HE LYS 38 1HE LYS 38 -1.626 10.888 10.203 319 2HE LYS 38 2HE LYS 38 -1.077 12.548 10.420 320 1HZ LYS 38 1HZ LYS 38 -1.862 11.445 7.787 321 2HZ LYS 38 2HZ LYS 38 -2.813 12.325 8.764 322 3HZ LYS 38 3HZ LYS 38 -1.460 13.013 8.139 323 H ALA 39 H ALA 39 -1.077 7.512 5.648 324 HA ALA 39 HA ALA 39 -2.845 9.499 4.330 325 1HB ALA 39 1HB ALA 39 -2.143 8.074 2.327 326 2HB ALA 39 2HB ALA 39 -0.841 9.054 3.059 327 3HB ALA 39 3HB ALA 39 -0.958 7.324 3.416 328 H LYS 40 H LYS 40 -4.622 8.466 3.159 329 HA LYS 40 HA LYS 40 -5.375 5.748 4.121 330 1HB LYS 40 1HB LYS 40 -6.499 7.659 5.377 331 2HB LYS 40 2HB LYS 40 -7.341 8.068 3.890 332 1HG LYS 40 1HG LYS 40 -7.465 5.355 5.295 333 2HG LYS 40 2HG LYS 40 -8.564 6.703 5.570 334 1HD LYS 40 1HD LYS 40 -9.228 6.611 3.146 335 2HD LYS 40 2HD LYS 40 -8.291 5.113 2.996 336 1HE LYS 40 1HE LYS 40 -9.646 4.085 4.815 337 2HE LYS 40 2HE LYS 40 -10.526 5.603 5.023 338 1HZ LYS 40 1HZ LYS 40 -10.671 3.813 2.685 339 2HZ LYS 40 2HZ LYS 40 -11.839 4.138 3.769 340 3HZ LYS 40 3HZ LYS 40 -11.394 5.314 2.751 341 H ARG 41 H ARG 41 -6.627 8.378 1.737 342 HA ARG 41 HA ARG 41 -6.284 6.470 -0.362 343 1HB ARG 41 1HB ARG 41 -8.149 8.032 -1.113 344 2HB ARG 41 2HB ARG 41 -8.640 6.804 0.044 345 1HG ARG 41 1HG ARG 41 -8.787 8.512 1.764 346 2HG ARG 41 2HG ARG 41 -7.942 9.694 0.769 347 1HD ARG 41 1HD ARG 41 -10.670 8.542 0.150 348 2HD ARG 41 2HD ARG 41 -10.390 10.105 0.922 349 HE ARG 41 HE ARG 41 -9.021 10.609 -1.203 350 1HH1 ARG 41 2HH2 ARG 41 -12.049 8.698 -1.185 351 2HH1 ARG 41 1HH2 ARG 41 -12.513 9.191 -2.778 352 1HH2 ARG 41 2HH1 ARG 41 -9.649 11.189 -3.393 353 2HH2 ARG 41 1HH1 ARG 41 -11.156 10.635 -4.000 354 HA PRO 42 HA PRO 42 -3.683 10.236 -1.077 355 1HB PRO 42 1HB PRO 42 -1.309 9.062 -1.626 356 2HB PRO 42 2HB PRO 42 -1.875 9.294 0.053 357 1HG PRO 42 1HG PRO 42 -1.976 6.775 -1.624 358 2HG PRO 42 2HG PRO 42 -1.527 6.959 0.103 359 1HD PRO 42 1HD PRO 42 -4.046 6.203 -0.841 360 2HD PRO 42 2HD PRO 42 -3.795 6.935 0.748 361 H ARG 43 H ARG 43 -2.524 10.759 -3.204 362 HA ARG 43 HA ARG 43 -4.210 10.247 -5.348 363 1HB ARG 43 1HB ARG 43 -2.463 11.045 -6.877 364 2HB ARG 43 2HB ARG 43 -2.689 12.094 -5.483 365 1HG ARG 43 1HG ARG 43 -0.626 11.420 -4.495 366 2HG ARG 43 2HG ARG 43 -0.402 10.071 -5.589 367 1HD ARG 43 1HD ARG 43 -0.518 12.888 -6.676 368 2HD ARG 43 2HD ARG 43 0.958 12.222 -5.993 369 HE ARG 43 HE ARG 43 1.058 10.520 -7.635 370 1HH1 ARG 43 2HH2 ARG 43 -1.516 12.891 -8.420 371 2HH1 ARG 43 1HH2 ARG 43 -1.379 12.633 -10.119 372 1HH2 ARG 43 2HH1 ARG 43 1.244 10.221 -9.841 373 2HH2 ARG 43 1HH1 ARG 43 0.217 11.056 -10.948 374 H PHE 44 H PHE 44 -1.305 8.457 -4.495 375 HA PHE 44 HA PHE 44 -1.299 6.924 -6.926 376 1HB PHE 44 1HB PHE 44 0.813 6.133 -6.078 377 2HB PHE 44 2HB PHE 44 0.704 7.856 -5.799 378 HD1 PHE 44 1HD PHE 44 0.769 4.565 -4.274 379 HD2 PHE 44 2HD PHE 44 0.610 8.777 -3.473 380 HE1 PHE 44 1HE PHE 44 1.202 4.133 -1.847 381 HE2 PHE 44 2HE PHE 44 1.052 8.338 -1.076 382 HZ PHE 44 HZ PHE 44 1.273 5.994 -0.248 383 H LEU 45 H LEU 45 -3.481 6.430 -4.443 384 HA LEU 45 HA LEU 45 -3.027 3.917 -3.458 385 1HB LEU 45 1HB LEU 45 -4.782 5.591 -2.793 386 2HB LEU 45 2HB LEU 45 -5.655 5.214 -4.276 387 HG LEU 45 HG LEU 45 -5.786 2.856 -3.532 388 1HD1 LEU 45 1HD1 LEU 45 -5.504 2.365 -1.086 389 2HD1 LEU 45 2HD1 LEU 45 -3.968 2.733 -1.872 390 3HD1 LEU 45 3HD1 LEU 45 -4.773 3.961 -0.865 391 1HD2 LEU 45 1HD2 LEU 45 -7.614 3.247 -1.876 392 2HD2 LEU 45 2HD2 LEU 45 -7.050 4.916 -1.675 393 3HD2 LEU 45 3HD2 LEU 45 -7.689 4.380 -3.235 394 HA PRO 46 HA PRO 46 -4.993 1.746 -7.207 395 1HB PRO 46 1HB PRO 46 -4.894 2.922 -9.691 396 2HB PRO 46 2HB PRO 46 -6.303 3.024 -8.606 397 1HG PRO 46 1HG PRO 46 -4.078 5.052 -8.954 398 2HG PRO 46 2HG PRO 46 -5.850 5.339 -8.917 399 1HD PRO 46 1HD PRO 46 -4.346 5.739 -6.733 400 2HD PRO 46 2HD PRO 46 -5.948 4.969 -6.577 401 H GLU 47 H GLU 47 -2.133 3.816 -7.562 402 HA GLU 47 HA GLU 47 -0.743 2.040 -9.392 403 1HB GLU 47 1HB GLU 47 0.209 4.319 -7.565 404 2HB GLU 47 2HB GLU 47 1.164 3.498 -8.763 405 1HG GLU 47 1HG GLU 47 -0.348 4.315 -10.552 406 2HG GLU 47 2HG GLU 47 -1.355 5.124 -9.340 407 H LEU 48 H LEU 48 -0.770 2.796 -5.901 408 HA LEU 48 HA LEU 48 1.224 0.922 -5.114 409 1HB LEU 48 1HB LEU 48 0.461 2.633 -3.590 410 2HB LEU 48 2HB LEU 48 -1.154 1.953 -3.506 411 HG LEU 48 HG LEU 48 1.017 -0.017 -2.901 412 1HD1 LEU 48 1HD1 LEU 48 1.598 0.781 -0.712 413 2HD1 LEU 48 2HD1 LEU 48 2.071 1.975 -1.935 414 3HD1 LEU 48 3HD1 LEU 48 0.620 2.238 -0.934 415 1HD2 LEU 48 1HD2 LEU 48 -0.428 -0.487 -0.933 416 2HD2 LEU 48 2HD2 LEU 48 -1.457 0.893 -1.368 417 3HD2 LEU 48 3HD2 LEU 48 -1.329 -0.512 -2.455 418 H ALA 49 H ALA 49 -2.339 0.654 -5.285 419 HA ALA 49 HA ALA 49 -2.355 -2.172 -4.505 420 1HB ALA 49 1HB ALA 49 -4.405 -0.741 -6.293 421 2HB ALA 49 2HB ALA 49 -4.663 -2.170 -5.273 422 3HB ALA 49 3HB ALA 49 -4.382 -0.592 -4.527 423 H ARG 50 H ARG 50 -2.119 -0.635 -7.794 424 HA ARG 50 HA ARG 50 -2.095 -3.088 -9.230 425 1HB ARG 50 1HB ARG 50 -0.909 -0.357 -9.801 426 2HB ARG 50 2HB ARG 50 -0.453 -1.744 -10.768 427 1HG ARG 50 1HG ARG 50 -3.088 -2.133 -10.955 428 2HG ARG 50 2HG ARG 50 -3.162 -0.421 -10.536 429 1HD ARG 50 1HD ARG 50 -3.222 -0.688 -12.940 430 2HD ARG 50 2HD ARG 50 -1.685 0.081 -12.488 431 HE ARG 50 HE ARG 50 -1.120 -2.599 -12.453 432 1HH1 ARG 50 2HH2 ARG 50 -2.171 -0.427 -15.059 433 2HH1 ARG 50 1HH2 ARG 50 -1.888 -1.609 -16.312 434 1HH2 ARG 50 2HH1 ARG 50 -0.505 -3.936 -13.976 435 2HH2 ARG 50 1HH1 ARG 50 -0.502 -3.542 -15.673 436 H ALA 51 H ALA 51 0.654 -1.233 -7.900 437 HA ALA 51 HA ALA 51 2.706 -3.055 -8.478 438 1HB ALA 51 1HB ALA 51 3.224 -0.807 -7.847 439 2HB ALA 51 2HB ALA 51 2.298 -0.926 -6.344 440 3HB ALA 51 3HB ALA 51 3.807 -1.796 -6.489 441 H LEU 52 H LEU 52 0.639 -2.826 -5.589 442 HA LEU 52 HA LEU 52 1.761 -4.923 -4.062 443 1HB LEU 52 1HB LEU 52 -0.524 -3.126 -4.013 444 2HB LEU 52 2HB LEU 52 -1.109 -4.526 -3.613 445 HG LEU 52 HG LEU 52 0.810 -2.650 -2.252 446 1HD1 LEU 52 1HD1 LEU 52 -1.246 -4.564 -1.109 447 2HD1 LEU 52 2HD1 LEU 52 -0.440 -3.244 -0.230 448 3HD1 LEU 52 3HD1 LEU 52 -1.530 -2.880 -1.586 449 1HD2 LEU 52 1HD2 LEU 52 2.410 -4.390 -2.090 450 2HD2 LEU 52 2HD2 LEU 52 1.601 -4.307 -0.528 451 3HD2 LEU 52 3HD2 LEU 52 1.197 -5.598 -1.679 452 H GLY 53 H GLY 53 -0.660 -4.880 -6.640 453 1HA GLY 53 1HA GLY 53 -1.194 -6.669 -8.049 454 2HA GLY 53 2HA GLY 53 -0.495 -7.815 -6.911 455 H VAL 54 H VAL 54 -2.947 -5.229 -6.247 456 HA VAL 54 HA VAL 54 -5.116 -7.163 -6.185 457 HB VAL 54 HB VAL 54 -5.930 -6.547 -3.955 458 1HG1 VAL 54 1HG1 VAL 54 -3.083 -7.533 -3.715 459 2HG1 VAL 54 2HG1 VAL 54 -4.429 -7.795 -2.579 460 3HG1 VAL 54 3HG1 VAL 54 -4.483 -8.518 -4.197 461 1HG2 VAL 54 1HG2 VAL 54 -3.569 -4.705 -3.883 462 2HG2 VAL 54 2HG2 VAL 54 -5.263 -4.464 -3.390 463 3HG2 VAL 54 3HG2 VAL 54 -4.173 -5.437 -2.391 464 H ALA 55 H ALA 55 -7.223 -5.815 -5.713 465 HA ALA 55 HA ALA 55 -7.262 -3.469 -7.475 466 1HB ALA 55 1HB ALA 55 -9.386 -4.856 -5.764 467 2HB ALA 55 2HB ALA 55 -9.714 -3.568 -6.941 468 3HB ALA 55 3HB ALA 55 -9.085 -5.124 -7.479 469 H VAL 56 H VAL 56 -8.213 -1.328 -6.760 470 HA VAL 56 HA VAL 56 -7.478 -0.347 -4.136 471 HB VAL 56 HB VAL 56 -9.338 0.730 -6.320 472 1HG1 VAL 56 1HG1 VAL 56 -8.260 1.968 -3.780 473 2HG1 VAL 56 2HG1 VAL 56 -8.989 2.903 -5.116 474 3HG1 VAL 56 3HG1 VAL 56 -9.960 1.719 -4.234 475 1HG2 VAL 56 1HG2 VAL 56 -7.014 0.620 -7.096 476 2HG2 VAL 56 2HG2 VAL 56 -7.471 2.294 -6.767 477 3HG2 VAL 56 3HG2 VAL 56 -6.463 1.409 -5.596 478 H ASP 57 H ASP 57 -10.321 -1.722 -5.808 479 HA ASP 57 HA ASP 57 -12.177 -1.571 -3.713 480 1HB ASP 57 1HB ASP 57 -12.512 -2.468 -6.097 481 2HB ASP 57 2HB ASP 57 -11.732 -3.962 -5.573 482 H TRP 58 H TRP 58 -9.636 -4.081 -4.136 483 HA TRP 58 HA TRP 58 -10.475 -5.492 -1.754 484 1HB TRP 58 1HB TRP 58 -9.022 -6.483 -3.547 485 2HB TRP 58 2HB TRP 58 -7.745 -5.369 -3.017 486 HD1 TRP 58 HD TRP 58 -9.803 -8.254 -1.768 487 HE1 TRP 58 1HE TRP 58 -8.597 -9.536 0.087 488 HE3 TRP 58 3HE TRP 58 -5.956 -5.083 -1.176 489 HZ2 TRP 58 2HZ TRP 58 -6.097 -9.219 1.590 490 HZ3 TRP 58 3HZ TRP 58 -4.048 -5.630 0.384 491 HH2 TRP 58 HH TRP 58 -4.146 -7.698 1.767 492 H LEU 59 H LEU 59 -8.089 -2.902 -2.482 493 HA LEU 59 HA LEU 59 -7.024 -2.773 0.149 494 1HB LEU 59 1HB LEU 59 -7.157 -0.921 -2.190 495 2HB LEU 59 2HB LEU 59 -6.766 -0.225 -0.651 496 HG LEU 59 HG LEU 59 -5.227 -2.241 -2.312 497 1HD1 LEU 59 1HD1 LEU 59 -3.475 -0.629 -2.079 498 2HD1 LEU 59 2HD1 LEU 59 -4.943 0.276 -2.461 499 3HD1 LEU 59 3HD1 LEU 59 -4.337 0.244 -0.790 500 1HD2 LEU 59 1HD2 LEU 59 -4.830 -1.784 0.669 501 2HD2 LEU 59 2HD2 LEU 59 -5.021 -3.334 -0.169 502 3HD2 LEU 59 3HD2 LEU 59 -3.552 -2.412 -0.408 503 H LEU 60 H LEU 60 -9.949 -1.180 -1.191 504 HA LEU 60 HA LEU 60 -10.418 0.219 1.323 505 1HB LEU 60 1HB LEU 60 -12.006 -0.309 -1.214 506 2HB LEU 60 2HB LEU 60 -12.726 0.522 0.154 507 HG LEU 60 HG LEU 60 -10.091 1.437 -1.106 508 1HD1 LEU 60 1HD1 LEU 60 -11.338 3.072 -2.377 509 2HD1 LEU 60 2HD1 LEU 60 -11.894 1.445 -2.794 510 3HD1 LEU 60 3HD1 LEU 60 -12.875 2.452 -1.708 511 1HD2 LEU 60 1HD2 LEU 60 -12.123 2.844 0.680 512 2HD2 LEU 60 2HD2 LEU 60 -10.481 2.343 1.142 513 3HD2 LEU 60 3HD2 LEU 60 -10.706 3.621 -0.067 514 H ASN 61 H ASN 61 -12.101 -2.497 -0.291 515 HA ASN 61 HA ASN 61 -13.771 -2.894 2.044 516 1HB ASN 61 1HB ASN 61 -13.510 -4.518 -0.526 517 2HB ASN 61 2HB ASN 61 -14.779 -4.703 0.674 518 1HD2 ASN 61 1HD2 ASN 61 -13.694 -2.826 -2.062 519 2HD2 ASN 61 2HD2 ASN 61 -14.956 -1.612 -1.996 520 H GLY 62 H GLY 62 -10.861 -4.572 0.724 521 1HA GLY 62 1HA GLY 62 -9.663 -6.326 1.507 522 2HA GLY 62 2HA GLY 62 -10.347 -5.974 3.103 523 H ALA 63 H ALA 63 -11.986 -6.936 0.105 524 HA ALA 63 HA ALA 63 -13.665 -8.340 -0.287 525 1HB ALA 63 1HB ALA 63 -13.196 -10.731 0.071 526 2HB ALA 63 2HB ALA 63 -11.786 -9.869 -0.590 527 3HB ALA 63 3HB ALA 63 -11.825 -10.304 1.125 Start of MODEL 17 1 1H MET 0 H MET 0 -10.414 -4.334 10.563 2 HA MET 0 HA MET 0 -7.654 -4.073 11.523 3 1HB MET 0 1HB MET 0 -7.729 -6.316 10.693 4 2HB MET 0 2HB MET 0 -8.566 -5.776 9.201 5 1HG MET 0 1HG MET 0 -6.520 -4.656 8.478 6 2HG MET 0 2HG MET 0 -5.724 -5.191 9.962 7 1HE MET 0 1HE MET 0 -6.916 -5.988 6.407 8 2HE MET 0 2HE MET 0 -6.800 -7.757 6.289 9 3HE MET 0 3HE MET 0 -8.070 -7.018 7.287 10 H LEU 1 H LEU 1 -6.459 -2.918 10.109 11 HA LEU 1 HA LEU 1 -8.050 -0.944 8.439 12 1HB LEU 1 1HB LEU 1 -5.293 -0.331 9.478 13 2HB LEU 1 2HB LEU 1 -6.401 0.726 8.684 14 HG LEU 1 HG LEU 1 -6.523 -0.185 11.544 15 1HD1 LEU 1 1HD1 LEU 1 -6.750 2.514 10.107 16 2HD1 LEU 1 2HD1 LEU 1 -6.706 2.276 11.861 17 3HD1 LEU 1 3HD1 LEU 1 -5.287 1.873 10.877 18 1HD2 LEU 1 1HD2 LEU 1 -8.831 1.004 9.929 19 2HD2 LEU 1 2HD2 LEU 1 -8.828 -0.535 10.819 20 3HD2 LEU 1 3HD2 LEU 1 -8.727 0.975 11.702 21 H MET 2 H MET 2 -6.722 0.141 6.864 22 HA MET 2 HA MET 2 -5.729 -1.629 4.756 23 1HB MET 2 1HB MET 2 -6.008 1.361 5.220 24 2HB MET 2 2HB MET 2 -4.778 0.864 4.086 25 1HG MET 2 1HG MET 2 -6.342 -0.136 2.629 26 2HG MET 2 2HG MET 2 -7.539 -0.330 3.903 27 1HE MET 2 1HE MET 2 -6.743 3.615 1.651 28 2HE MET 2 2HE MET 2 -5.601 3.061 2.895 29 3HE MET 2 3HE MET 2 -5.845 2.103 1.409 30 H GLY 3 H GLY 3 -4.126 0.766 6.960 31 1HA GLY 3 1HA GLY 3 -1.518 0.345 6.329 32 2HA GLY 3 2HA GLY 3 -2.068 0.554 8.003 33 H GLU 4 H GLU 4 -3.260 -1.823 8.628 34 HA GLU 4 HA GLU 4 -1.143 -3.732 8.915 35 1HB GLU 4 1HB GLU 4 -4.168 -3.964 9.093 36 2HB GLU 4 2HB GLU 4 -3.077 -5.268 9.564 37 1HG GLU 4 1HG GLU 4 -2.220 -3.996 11.411 38 2HG GLU 4 2HG GLU 4 -3.020 -2.514 10.854 39 H ARG 5 H ARG 5 -3.984 -3.643 6.753 40 HA ARG 5 HA ARG 5 -3.577 -6.056 5.389 41 1HB ARG 5 1HB ARG 5 -5.441 -5.422 4.423 42 2HB ARG 5 2HB ARG 5 -5.425 -3.988 5.351 43 1HG ARG 5 1HG ARG 5 -4.406 -2.745 3.431 44 2HG ARG 5 2HG ARG 5 -4.360 -4.216 2.523 45 1HD ARG 5 1HD ARG 5 -6.872 -2.880 3.599 46 2HD ARG 5 2HD ARG 5 -6.307 -2.807 1.926 47 HE ARG 5 HE ARG 5 -6.556 -5.168 1.791 48 1HH1 ARG 5 2HH2 ARG 5 -8.651 -3.590 4.154 49 2HH1 ARG 5 1HH2 ARG 5 -9.232 -5.038 4.896 50 1HH2 ARG 5 2HH1 ARG 5 -7.531 -7.156 2.559 51 2HH2 ARG 5 1HH1 ARG 5 -8.648 -7.131 3.873 52 H ILE 6 H ILE 6 -2.209 -2.897 4.726 53 HA ILE 6 HA ILE 6 -0.861 -3.491 2.269 54 HB ILE 6 HB ILE 6 -0.749 -1.358 4.407 55 1HG1 ILE 6 1HG1 ILE 6 -1.313 -1.233 1.393 56 2HG1 ILE 6 2HG1 ILE 6 -2.560 -1.548 2.593 57 1HG2 ILE 6 1HG2 ILE 6 1.177 -1.444 2.054 58 2HG2 ILE 6 2HG2 ILE 6 0.895 -0.039 3.120 59 3HG2 ILE 6 3HG2 ILE 6 1.583 -1.499 3.790 60 1HD1 ILE 6 1HD1 ILE 6 -0.958 0.996 2.308 61 2HD1 ILE 6 2HD1 ILE 6 -2.688 0.756 2.012 62 3HD1 ILE 6 3HD1 ILE 6 -2.058 0.656 3.672 63 H ARG 7 H ARG 7 0.207 -3.416 5.751 64 HA ARG 7 HA ARG 7 2.829 -4.330 5.118 65 1HB ARG 7 1HB ARG 7 2.033 -3.447 7.371 66 2HB ARG 7 2HB ARG 7 1.330 -5.025 7.676 67 1HG ARG 7 1HG ARG 7 3.632 -6.053 7.245 68 2HG ARG 7 2HG ARG 7 4.242 -4.433 6.965 69 1HD ARG 7 1HD ARG 7 4.902 -4.618 9.115 70 2HD ARG 7 2HD ARG 7 3.280 -4.028 9.455 71 HE ARG 7 HE ARG 7 4.366 -6.796 9.702 72 1HH1 ARG 7 2HH2 ARG 7 1.563 -4.662 10.226 73 2HH1 ARG 7 1HH2 ARG 7 0.652 -5.862 11.076 74 1HH2 ARG 7 2HH1 ARG 7 3.245 -8.297 10.819 75 2HH2 ARG 7 1HH1 ARG 7 1.642 -8.041 11.454 76 H ALA 8 H ALA 8 -0.150 -6.130 5.881 77 HA ALA 8 HA ALA 8 0.901 -8.711 5.939 78 1HB ALA 8 1HB ALA 8 -1.453 -8.151 6.609 79 2HB ALA 8 2HB ALA 8 -1.883 -7.934 4.915 80 3HB ALA 8 3HB ALA 8 -1.376 -9.523 5.498 81 H ARG 9 H ARG 9 -0.712 -7.133 3.140 82 HA ARG 9 HA ARG 9 -0.052 -9.309 1.404 83 1HB ARG 9 1HB ARG 9 -2.026 -8.056 1.017 84 2HB ARG 9 2HB ARG 9 -1.140 -6.523 0.968 85 1HG ARG 9 1HG ARG 9 -1.830 -7.109 -1.254 86 2HG ARG 9 2HG ARG 9 -0.084 -7.143 -1.076 87 1HD ARG 9 1HD ARG 9 -0.361 -9.711 -0.783 88 2HD ARG 9 2HD ARG 9 -1.956 -9.465 -1.509 89 HE ARG 9 HE ARG 9 -0.315 -8.107 -3.239 90 1HH1 ARG 9 2HH2 ARG 9 -0.010 -11.445 -1.899 91 2HH1 ARG 9 1HH2 ARG 9 1.113 -11.917 -3.127 92 1HH2 ARG 9 2HH1 ARG 9 0.874 -8.912 -4.963 93 2HH2 ARG 9 1HH1 ARG 9 1.470 -10.548 -4.993 94 H ARG 10 H ARG 10 1.653 -6.161 2.014 95 HA ARG 10 HA ARG 10 3.647 -6.409 0.034 96 1HB ARG 10 1HB ARG 10 3.372 -4.492 1.654 97 2HB ARG 10 2HB ARG 10 3.953 -5.494 2.938 98 1HG ARG 10 1HG ARG 10 6.129 -5.478 2.255 99 2HG ARG 10 2HG ARG 10 5.746 -5.312 0.533 100 1HD ARG 10 1HD ARG 10 6.793 -3.232 1.676 101 2HD ARG 10 2HD ARG 10 5.394 -3.030 0.678 102 HE ARG 10 HE ARG 10 4.263 -2.212 2.408 103 1HH1 ARG 10 2HH2 ARG 10 6.867 -4.224 3.867 104 2HH1 ARG 10 1HH2 ARG 10 6.382 -3.861 5.474 105 1HH2 ARG 10 2HH1 ARG 10 3.625 -1.785 4.494 106 2HH2 ARG 10 1HH1 ARG 10 4.556 -2.381 5.810 107 H ILE 11 H ILE 11 3.728 -7.591 3.378 108 HA ILE 11 HA ILE 11 6.162 -9.072 3.053 109 HB ILE 11 HB ILE 11 3.932 -9.231 5.100 110 1HG1 ILE 11 1HG1 ILE 11 5.075 -7.065 5.176 111 2HG1 ILE 11 2HG1 ILE 11 5.572 -8.008 6.563 112 1HG2 ILE 11 1HG2 ILE 11 5.618 -10.358 6.594 113 2HG2 ILE 11 2HG2 ILE 11 5.037 -11.346 5.250 114 3HG2 ILE 11 3HG2 ILE 11 6.646 -10.597 5.164 115 1HD1 ILE 11 1HD1 ILE 11 7.182 -7.432 4.034 116 2HD1 ILE 11 2HD1 ILE 11 7.487 -6.854 5.674 117 3HD1 ILE 11 3HD1 ILE 11 7.712 -8.567 5.290 118 H GLN 12 H GLN 12 2.774 -10.071 2.647 119 HA GLN 12 HA GLN 12 3.280 -12.779 2.108 120 1HB GLN 12 1HB GLN 12 1.041 -11.500 2.328 121 2HB GLN 12 2HB GLN 12 1.193 -11.144 0.611 122 1HG GLN 12 1HG GLN 12 1.594 -14.003 1.230 123 2HG GLN 12 2HG GLN 12 0.082 -13.406 1.876 124 1HE2 GLN 12 1HE2 GLN 12 -1.481 -12.500 0.394 125 2HE2 GLN 12 2HE2 GLN 12 -1.500 -13.009 -1.272 126 H LEU 13 H LEU 13 3.570 -10.021 -0.061 127 HA LEU 13 HA LEU 13 4.485 -11.570 -2.381 128 1HB LEU 13 1HB LEU 13 3.296 -9.483 -2.695 129 2HB LEU 13 2HB LEU 13 4.428 -8.614 -1.678 130 HG LEU 13 HG LEU 13 6.217 -8.909 -3.343 131 1HD1 LEU 13 1HD1 LEU 13 5.521 -10.949 -4.477 132 2HD1 LEU 13 2HD1 LEU 13 4.043 -10.167 -5.083 133 3HD1 LEU 13 3HD1 LEU 13 5.658 -9.631 -5.637 134 1HD2 LEU 13 1HD2 LEU 13 4.701 -6.924 -3.350 135 2HD2 LEU 13 2HD2 LEU 13 5.360 -7.311 -4.948 136 3HD2 LEU 13 3HD2 LEU 13 3.682 -7.743 -4.559 137 H GLY 14 H GLY 14 5.865 -10.441 0.566 138 1HA GLY 14 1HA GLY 14 7.914 -10.680 1.515 139 2HA GLY 14 2HA GLY 14 8.504 -11.494 0.074 140 H LEU 15 H LEU 15 7.000 -8.302 -0.181 141 HA LEU 15 HA LEU 15 9.588 -7.252 -1.230 142 1HB LEU 15 1HB LEU 15 6.659 -6.493 -1.362 143 2HB LEU 15 2HB LEU 15 7.787 -5.159 -1.245 144 HG LEU 15 HG LEU 15 7.537 -7.144 -3.471 145 1HD1 LEU 15 1HD1 LEU 15 7.081 -5.252 -4.787 146 2HD1 LEU 15 2HD1 LEU 15 6.159 -5.004 -3.300 147 3HD1 LEU 15 3HD1 LEU 15 7.689 -4.124 -3.559 148 1HD2 LEU 15 1HD2 LEU 15 9.982 -5.520 -2.839 149 2HD2 LEU 15 2HD2 LEU 15 9.841 -7.169 -3.451 150 3HD2 LEU 15 3HD2 LEU 15 9.508 -5.816 -4.528 151 H ASN 16 H ASN 16 10.268 -5.091 -0.413 152 HA ASN 16 HA ASN 16 9.813 -4.767 2.534 153 1HB ASN 16 1HB ASN 16 11.912 -3.457 0.774 154 2HB ASN 16 2HB ASN 16 11.732 -3.232 2.491 155 1HD2 ASN 16 1HD2 ASN 16 14.160 -4.224 1.226 156 2HD2 ASN 16 2HD2 ASN 16 14.391 -5.757 2.077 157 H GLN 17 H GLN 17 9.590 -2.395 3.241 158 HA GLN 17 HA GLN 17 7.399 -1.122 2.007 159 1HB GLN 17 1HB GLN 17 9.635 -0.039 3.755 160 2HB GLN 17 2HB GLN 17 8.200 0.889 3.312 161 1HG GLN 17 1HG GLN 17 6.771 -0.647 4.529 162 2HG GLN 17 2HG GLN 17 8.155 -1.692 4.913 163 1HE2 GLN 17 1HE2 GLN 17 6.966 -1.020 7.114 164 2HE2 GLN 17 2HE2 GLN 17 7.743 0.358 7.922 165 H ALA 18 H ALA 18 10.916 -0.253 1.780 166 HA ALA 18 HA ALA 18 10.442 1.950 0.109 167 1HB ALA 18 1HB ALA 18 12.859 1.890 -0.302 168 2HB ALA 18 2HB ALA 18 12.523 1.617 1.417 169 3HB ALA 18 3HB ALA 18 12.945 0.245 0.365 170 H GLU 19 H GLU 19 10.977 -1.530 -0.720 171 HA GLU 19 HA GLU 19 11.309 -1.139 -3.492 172 1HB GLU 19 1HB GLU 19 10.216 -3.435 -1.813 173 2HB GLU 19 2HB GLU 19 10.821 -3.581 -3.458 174 1HG GLU 19 1HG GLU 19 12.536 -2.475 -1.164 175 2HG GLU 19 2HG GLU 19 12.341 -4.140 -1.418 176 H LEU 20 H LEU 20 8.417 -1.966 -1.490 177 HA LEU 20 HA LEU 20 6.503 -2.012 -3.619 178 1HB LEU 20 1HB LEU 20 6.012 -2.841 -1.361 179 2HB LEU 20 2HB LEU 20 6.201 -1.211 -0.693 180 HG LEU 20 HG LEU 20 4.223 -0.449 -2.063 181 1HD1 LEU 20 1HD1 LEU 20 4.190 -2.031 -3.857 182 2HD1 LEU 20 2HD1 LEU 20 4.127 -3.411 -2.731 183 3HD1 LEU 20 3HD1 LEU 20 2.725 -2.328 -2.918 184 1HD2 LEU 20 1HD2 LEU 20 3.492 -2.822 -0.313 185 2HD2 LEU 20 2HD2 LEU 20 3.921 -1.194 0.294 186 3HD2 LEU 20 3HD2 LEU 20 2.495 -1.421 -0.718 187 H ALA 21 H ALA 21 7.923 0.553 -1.696 188 HA ALA 21 HA ALA 21 6.343 2.648 -2.714 189 1HB ALA 21 1HB ALA 21 7.878 4.111 -1.616 190 2HB ALA 21 2HB ALA 21 7.869 2.666 -0.615 191 3HB ALA 21 3HB ALA 21 9.208 2.983 -1.714 192 H GLN 22 H GLN 22 9.647 1.637 -3.675 193 HA GLN 22 HA GLN 22 10.163 3.773 -5.329 194 1HB GLN 22 1HB GLN 22 11.749 1.896 -4.435 195 2HB GLN 22 2HB GLN 22 11.229 0.948 -5.821 196 1HG GLN 22 1HG GLN 22 13.183 1.931 -6.588 197 2HG GLN 22 2HG GLN 22 12.002 3.080 -7.212 198 1HE2 GLN 22 1HE2 GLN 22 11.762 5.232 -5.961 199 2HE2 GLN 22 2HE2 GLN 22 13.077 5.690 -4.923 200 H LYS 23 H LYS 23 8.839 0.516 -6.199 201 HA LYS 23 HA LYS 23 8.804 1.223 -8.961 202 1HB LYS 23 1HB LYS 23 8.757 -0.910 -9.241 203 2HB LYS 23 2HB LYS 23 9.096 -1.083 -7.570 204 1HG LYS 23 1HG LYS 23 6.258 -1.161 -8.695 205 2HG LYS 23 2HG LYS 23 7.312 -2.555 -8.516 206 1HD LYS 23 1HD LYS 23 7.472 -2.141 -6.062 207 2HD LYS 23 2HD LYS 23 6.444 -0.732 -6.231 208 1HE LYS 23 1HE LYS 23 5.120 -2.688 -5.474 209 2HE LYS 23 2HE LYS 23 4.597 -2.103 -7.029 210 1HZ LYS 23 1HZ LYS 23 6.520 -4.348 -6.720 211 2HZ LYS 23 2HZ LYS 23 4.873 -4.571 -6.965 212 3HZ LYS 23 3HZ LYS 23 5.822 -3.871 -8.095 213 H VAL 24 H VAL 24 6.526 1.835 -6.392 214 HA VAL 24 HA VAL 24 4.299 2.209 -8.300 215 HB VAL 24 HB VAL 24 4.623 2.851 -5.337 216 1HG1 VAL 24 1HG1 VAL 24 2.124 2.900 -7.058 217 2HG1 VAL 24 2HG1 VAL 24 2.216 3.158 -5.300 218 3HG1 VAL 24 3HG1 VAL 24 2.944 4.327 -6.402 219 1HG2 VAL 24 1HG2 VAL 24 3.194 0.898 -5.003 220 2HG2 VAL 24 2HG2 VAL 24 2.954 0.731 -6.773 221 3HG2 VAL 24 3HG2 VAL 24 4.512 0.370 -6.041 222 H GLY 25 H GLY 25 6.909 3.983 -6.697 223 1HA GLY 25 1HA GLY 25 7.845 5.828 -8.031 224 2HA GLY 25 2HA GLY 25 6.210 6.474 -8.174 225 H VAL 26 H VAL 26 6.550 5.094 -5.048 226 HA VAL 26 HA VAL 26 6.492 7.839 -4.023 227 HB VAL 26 HB VAL 26 4.943 7.002 -2.451 228 1HG1 VAL 26 1HG1 VAL 26 4.315 5.809 -5.204 229 2HG1 VAL 26 2HG1 VAL 26 3.172 6.061 -3.925 230 3HG1 VAL 26 3HG1 VAL 26 3.977 7.469 -4.665 231 1HG2 VAL 26 1HG2 VAL 26 5.223 4.198 -3.499 232 2HG2 VAL 26 2HG2 VAL 26 5.818 4.783 -1.909 233 3HG2 VAL 26 3HG2 VAL 26 4.100 4.771 -2.260 234 H ASP 27 H ASP 27 7.028 7.853 -1.487 235 HA ASP 27 HA ASP 27 9.815 7.039 -1.219 236 1HB ASP 27 1HB ASP 27 9.011 8.163 1.162 237 2HB ASP 27 2HB ASP 27 9.766 9.030 -0.153 238 H GLN 28 H GLN 28 10.517 5.672 0.553 239 HA GLN 28 HA GLN 28 8.965 3.504 1.373 240 1HB GLN 28 1HB GLN 28 11.455 3.772 1.779 241 2HB GLN 28 2HB GLN 28 11.073 4.894 3.095 242 1HG GLN 28 1HG GLN 28 9.579 2.928 4.029 243 2HG GLN 28 2HG GLN 28 10.449 1.937 2.878 244 1HE2 GLN 28 1HE2 GLN 28 10.548 3.599 5.947 245 2HE2 GLN 28 2HE2 GLN 28 12.132 2.985 6.396 246 H GLN 29 H GLN 29 9.314 6.698 2.940 247 HA GLN 29 HA GLN 29 7.768 6.186 5.199 248 1HB GLN 29 1HB GLN 29 9.172 8.191 4.856 249 2HB GLN 29 2HB GLN 29 7.962 8.879 3.760 250 1HG GLN 29 1HG GLN 29 6.515 9.355 5.507 251 2HG GLN 29 2HG GLN 29 6.958 7.924 6.428 252 1HE2 GLN 29 1HE2 GLN 29 8.424 8.083 8.070 253 2HE2 GLN 29 2HE2 GLN 29 9.096 9.612 8.613 254 H ALA 30 H ALA 30 6.627 7.102 1.859 255 HA ALA 30 HA ALA 30 3.954 7.492 2.573 256 1HB ALA 30 1HB ALA 30 3.364 6.879 0.268 257 2HB ALA 30 2HB ALA 30 4.749 7.968 0.288 258 3HB ALA 30 3HB ALA 30 4.982 6.225 0.007 259 H ILE 31 H ILE 31 5.680 4.393 2.103 260 HA ILE 31 HA ILE 31 3.231 2.831 2.328 261 HB ILE 31 HB ILE 31 6.171 2.017 2.540 262 1HG1 ILE 31 1HG1 ILE 31 6.021 2.893 0.426 263 2HG1 ILE 31 2HG1 ILE 31 5.838 1.168 0.212 264 1HG2 ILE 31 1HG2 ILE 31 3.652 0.359 2.099 265 2HG2 ILE 31 2HG2 ILE 31 5.330 -0.233 1.942 266 3HG2 ILE 31 3HG2 ILE 31 4.730 0.314 3.512 267 1HD1 ILE 31 1HD1 ILE 31 3.320 1.582 0.026 268 2HD1 ILE 31 2HD1 ILE 31 3.694 3.321 -0.032 269 3HD1 ILE 31 3HD1 ILE 31 4.319 2.247 -1.289 270 H GLU 32 H GLU 32 5.864 3.872 4.522 271 HA GLU 32 HA GLU 32 4.996 2.233 6.733 272 1HB GLU 32 1HB GLU 32 7.293 3.022 6.331 273 2HB GLU 32 2HB GLU 32 6.794 4.689 6.576 274 1HG GLU 32 1HG GLU 32 6.648 4.487 8.835 275 2HG GLU 32 2HG GLU 32 6.035 2.842 8.780 276 H GLN 33 H GLN 33 4.378 5.625 5.812 277 HA GLN 33 HA GLN 33 2.892 6.192 8.210 278 1HB GLN 33 1HB GLN 33 2.469 8.256 7.287 279 2HB GLN 33 2HB GLN 33 3.933 7.827 6.433 280 1HG GLN 33 1HG GLN 33 2.506 6.960 4.553 281 2HG GLN 33 2HG GLN 33 1.076 7.594 5.377 282 1HE2 GLN 33 1HE2 GLN 33 2.143 8.354 2.731 283 2HE2 GLN 33 2HE2 GLN 33 2.740 9.988 2.824 284 H LEU 34 H LEU 34 2.127 4.680 5.017 285 HA LEU 34 HA LEU 34 -0.678 4.741 5.380 286 1HB LEU 34 1HB LEU 34 1.312 3.465 3.586 287 2HB LEU 34 2HB LEU 34 -0.056 2.442 3.894 288 HG LEU 34 HG LEU 34 -0.308 5.356 3.147 289 1HD1 LEU 34 1HD1 LEU 34 -0.774 4.644 0.828 290 2HD1 LEU 34 2HD1 LEU 34 0.860 4.145 1.322 291 3HD1 LEU 34 3HD1 LEU 34 -0.448 2.952 1.254 292 1HD2 LEU 34 1HD2 LEU 34 -2.373 3.154 2.761 293 2HD2 LEU 34 2HD2 LEU 34 -2.366 4.270 4.136 294 3HD2 LEU 34 3HD2 LEU 34 -2.570 4.911 2.508 295 H GLU 35 H GLU 35 1.953 2.497 6.315 296 HA GLU 35 HA GLU 35 0.457 0.343 7.407 297 1HB GLU 35 1HB GLU 35 3.162 1.443 8.195 298 2HB GLU 35 2HB GLU 35 2.341 0.223 9.131 299 1HG GLU 35 1HG GLU 35 2.337 -1.274 7.130 300 2HG GLU 35 2HG GLU 35 3.326 -0.120 6.283 301 H ASN 36 H ASN 36 1.534 3.435 9.030 302 HA ASN 36 HA ASN 36 0.014 2.672 11.383 303 1HB ASN 36 1HB ASN 36 0.989 4.404 12.458 304 2HB ASN 36 2HB ASN 36 2.237 3.784 11.402 305 1HD2 ASN 36 1HD2 ASN 36 3.484 5.344 10.635 306 2HD2 ASN 36 2HD2 ASN 36 3.058 7.008 10.384 307 H GLY 37 H GLY 37 -1.181 3.692 8.531 308 1HA GLY 37 1HA GLY 37 -3.352 4.298 8.063 309 2HA GLY 37 2HA GLY 37 -3.653 4.592 9.778 310 H LYS 38 H LYS 38 -0.864 6.236 8.519 311 HA LYS 38 HA LYS 38 -2.067 8.807 9.006 312 1HB LYS 38 1HB LYS 38 0.599 7.714 8.552 313 2HB LYS 38 2HB LYS 38 0.379 9.113 7.527 314 1HG LYS 38 1HG LYS 38 0.005 9.026 10.536 315 2HG LYS 38 2HG LYS 38 1.418 9.612 9.672 316 1HD LYS 38 1HD LYS 38 -0.449 11.172 8.454 317 2HD LYS 38 2HD LYS 38 -1.324 10.850 9.948 318 1HE LYS 38 1HE LYS 38 -0.133 12.932 10.151 319 2HE LYS 38 2HE LYS 38 0.619 11.766 11.242 320 1HZ LYS 38 1HZ LYS 38 2.190 13.119 9.854 321 2HZ LYS 38 2HZ LYS 38 2.421 11.503 9.711 322 3HZ LYS 38 3HZ LYS 38 1.637 12.328 8.526 323 H ALA 39 H ALA 39 -2.096 6.822 6.073 324 HA ALA 39 HA ALA 39 -3.161 9.204 4.629 325 1HB ALA 39 1HB ALA 39 -2.228 8.172 2.595 326 2HB ALA 39 2HB ALA 39 -0.894 8.382 3.767 327 3HB ALA 39 3HB ALA 39 -1.661 6.809 3.560 328 H LYS 40 H LYS 40 -4.926 8.710 3.316 329 HA LYS 40 HA LYS 40 -6.099 5.975 3.580 330 1HB LYS 40 1HB LYS 40 -7.250 7.792 4.933 331 2HB LYS 40 2HB LYS 40 -7.756 8.514 3.413 332 1HG LYS 40 1HG LYS 40 -8.412 5.690 4.399 333 2HG LYS 40 2HG LYS 40 -9.459 7.106 4.461 334 1HD LYS 40 1HD LYS 40 -9.185 7.176 1.866 335 2HD LYS 40 2HD LYS 40 -8.546 5.539 2.020 336 1HE LYS 40 1HE LYS 40 -10.905 5.499 1.425 337 2HE LYS 40 2HE LYS 40 -10.646 4.758 3.008 338 1HZ LYS 40 1HZ LYS 40 -11.538 7.552 2.638 339 2HZ LYS 40 2HZ LYS 40 -12.573 6.293 2.877 340 3HZ LYS 40 3HZ LYS 40 -11.496 6.701 4.046 341 H ARG 41 H ARG 41 -6.718 8.935 1.523 342 HA ARG 41 HA ARG 41 -6.347 7.131 -0.841 343 1HB ARG 41 1HB ARG 41 -8.570 7.880 -0.886 344 2HB ARG 41 2HB ARG 41 -8.129 9.540 -0.462 345 1HG ARG 41 1HG ARG 41 -7.084 9.877 -2.668 346 2HG ARG 41 2HG ARG 41 -7.354 8.164 -3.029 347 1HD ARG 41 1HD ARG 41 -9.889 8.751 -2.589 348 2HD ARG 41 2HD ARG 41 -9.340 10.427 -2.832 349 HE ARG 41 HE ARG 41 -8.417 8.487 -4.777 350 1HH1 ARG 41 2HH2 ARG 41 -10.907 10.931 -4.066 351 2HH1 ARG 41 1HH2 ARG 41 -11.436 11.137 -5.682 352 1HH2 ARG 41 2HH1 ARG 41 -9.223 8.659 -7.026 353 2HH2 ARG 41 1HH1 ARG 41 -10.474 9.803 -7.377 354 HA PRO 42 HA PRO 42 -2.902 10.097 -1.362 355 1HB PRO 42 1HB PRO 42 -1.051 8.370 -2.220 356 2HB PRO 42 2HB PRO 42 -1.431 8.501 -0.477 357 1HG PRO 42 1HG PRO 42 -2.414 6.416 -2.454 358 2HG PRO 42 2HG PRO 42 -1.808 6.169 -0.783 359 1HD PRO 42 1HD PRO 42 -4.478 6.340 -1.426 360 2HD PRO 42 2HD PRO 42 -3.818 6.792 0.156 361 H ARG 43 H ARG 43 -1.743 10.463 -3.518 362 HA ARG 43 HA ARG 43 -3.482 10.308 -5.781 363 1HB ARG 43 1HB ARG 43 -1.804 11.400 -6.948 364 2HB ARG 43 2HB ARG 43 -1.504 11.916 -5.300 365 1HG ARG 43 1HG ARG 43 0.286 9.999 -5.242 366 2HG ARG 43 2HG ARG 43 0.032 9.908 -6.988 367 1HD ARG 43 1HD ARG 43 1.829 11.327 -6.883 368 2HD ARG 43 2HD ARG 43 0.505 12.501 -6.929 369 HE ARG 43 HE ARG 43 1.042 11.821 -4.221 370 1HH1 ARG 43 2HH2 ARG 43 2.624 13.521 -6.925 371 2HH1 ARG 43 1HH2 ARG 43 3.546 14.571 -5.903 372 1HH2 ARG 43 2HH1 ARG 43 2.574 12.953 -2.874 373 2HH2 ARG 43 1HH1 ARG 43 3.634 14.120 -3.579 374 H PHE 44 H PHE 44 -0.870 8.259 -4.595 375 HA PHE 44 HA PHE 44 -0.565 6.809 -7.002 376 1HB PHE 44 1HB PHE 44 1.110 5.581 -5.680 377 2HB PHE 44 2HB PHE 44 1.281 7.318 -5.622 378 HD1 PHE 44 1HD PHE 44 1.567 8.403 -3.522 379 HD2 PHE 44 2HD PHE 44 -0.111 4.433 -3.673 380 HE1 PHE 44 1HE PHE 44 1.787 8.212 -1.070 381 HE2 PHE 44 2HE PHE 44 0.153 4.227 -1.234 382 HZ PHE 44 HZ PHE 44 1.078 6.108 0.096 383 H LEU 45 H LEU 45 -3.181 6.419 -5.043 384 HA LEU 45 HA LEU 45 -3.102 3.877 -4.012 385 1HB LEU 45 1HB LEU 45 -4.668 5.727 -3.457 386 2HB LEU 45 2HB LEU 45 -5.389 5.643 -5.038 387 HG LEU 45 HG LEU 45 -6.129 3.282 -4.474 388 1HD1 LEU 45 1HD1 LEU 45 -5.535 4.196 -1.621 389 2HD1 LEU 45 2HD1 LEU 45 -6.239 2.648 -2.118 390 3HD1 LEU 45 3HD1 LEU 45 -4.543 3.029 -2.497 391 1HD2 LEU 45 1HD2 LEU 45 -8.054 4.101 -3.102 392 2HD2 LEU 45 2HD2 LEU 45 -7.164 5.601 -2.765 393 3HD2 LEU 45 3HD2 LEU 45 -7.673 5.219 -4.425 394 HA PRO 46 HA PRO 46 -5.026 1.621 -7.553 395 1HB PRO 46 1HB PRO 46 -5.257 2.636 -10.103 396 2HB PRO 46 2HB PRO 46 -6.517 2.778 -8.847 397 1HG PRO 46 1HG PRO 46 -4.479 4.816 -9.663 398 2HG PRO 46 2HG PRO 46 -6.215 5.046 -9.302 399 1HD PRO 46 1HD PRO 46 -4.226 5.599 -7.495 400 2HD PRO 46 2HD PRO 46 -5.856 5.019 -7.020 401 H GLU 47 H GLU 47 -2.123 3.652 -8.109 402 HA GLU 47 HA GLU 47 -0.912 1.767 -9.957 403 1HB GLU 47 1HB GLU 47 0.220 4.047 -8.266 404 2HB GLU 47 2HB GLU 47 1.128 3.015 -9.336 405 1HG GLU 47 1HG GLU 47 0.802 4.761 -10.748 406 2HG GLU 47 2HG GLU 47 -0.615 3.797 -11.175 407 H LEU 48 H LEU 48 -0.818 2.571 -6.453 408 HA LEU 48 HA LEU 48 1.082 0.588 -5.713 409 1HB LEU 48 1HB LEU 48 0.403 2.464 -4.262 410 2HB LEU 48 2HB LEU 48 -1.187 1.744 -4.048 411 HG LEU 48 HG LEU 48 0.881 -0.252 -3.458 412 1HD1 LEU 48 1HD1 LEU 48 2.340 1.686 -3.001 413 2HD1 LEU 48 2HD1 LEU 48 1.152 2.293 -1.832 414 3HD1 LEU 48 3HD1 LEU 48 1.963 0.739 -1.558 415 1HD2 LEU 48 1HD2 LEU 48 -1.404 -0.333 -2.587 416 2HD2 LEU 48 2HD2 LEU 48 -0.232 -0.340 -1.267 417 3HD2 LEU 48 3HD2 LEU 48 -1.129 1.151 -1.645 418 H ALA 49 H ALA 49 -2.486 0.548 -5.776 419 HA ALA 49 HA ALA 49 -2.610 -2.199 -4.976 420 1HB ALA 49 1HB ALA 49 -4.936 -2.137 -5.642 421 2HB ALA 49 2HB ALA 49 -4.579 -0.463 -5.215 422 3HB ALA 49 3HB ALA 49 -4.626 -0.935 -6.913 423 H ARG 50 H ARG 50 -2.496 -0.924 -8.336 424 HA ARG 50 HA ARG 50 -2.644 -3.439 -9.613 425 1HB ARG 50 1HB ARG 50 -2.896 -1.237 -10.709 426 2HB ARG 50 2HB ARG 50 -1.183 -0.890 -10.430 427 1HG ARG 50 1HG ARG 50 -0.725 -3.026 -11.848 428 2HG ARG 50 2HG ARG 50 -2.451 -2.969 -12.248 429 1HD ARG 50 1HD ARG 50 -1.241 -1.866 -13.992 430 2HD ARG 50 2HD ARG 50 -2.095 -0.613 -13.101 431 HE ARG 50 HE ARG 50 0.798 -1.339 -12.807 432 1HH1 ARG 50 2HH2 ARG 50 -1.603 1.308 -13.195 433 2HH1 ARG 50 1HH2 ARG 50 -0.376 2.525 -12.964 434 1HH2 ARG 50 2HH1 ARG 50 2.319 0.392 -12.435 435 2HH2 ARG 50 1HH1 ARG 50 1.752 2.023 -12.663 436 H ALA 51 H ALA 51 0.262 -1.548 -8.593 437 HA ALA 51 HA ALA 51 2.049 -3.566 -9.498 438 1HB ALA 51 1HB ALA 51 3.773 -2.137 -8.754 439 2HB ALA 51 2HB ALA 51 2.508 -1.054 -9.305 440 3HB ALA 51 3HB ALA 51 2.716 -1.335 -7.563 441 H LEU 52 H LEU 52 0.306 -3.169 -6.389 442 HA LEU 52 HA LEU 52 1.955 -5.202 -5.124 443 1HB LEU 52 1HB LEU 52 0.737 -3.395 -3.898 444 2HB LEU 52 2HB LEU 52 -0.795 -4.193 -4.291 445 HG LEU 52 HG LEU 52 -0.257 -6.039 -2.917 446 1HD1 LEU 52 1HD1 LEU 52 2.616 -5.044 -2.742 447 2HD1 LEU 52 2HD1 LEU 52 1.956 -6.307 -1.692 448 3HD1 LEU 52 3HD1 LEU 52 2.048 -6.586 -3.414 449 1HD2 LEU 52 1HD2 LEU 52 -0.894 -4.145 -1.563 450 2HD2 LEU 52 2HD2 LEU 52 0.393 -4.960 -0.683 451 3HD2 LEU 52 3HD2 LEU 52 0.751 -3.482 -1.587 452 H GLY 53 H GLY 53 -0.876 -5.131 -7.206 453 1HA GLY 53 1HA GLY 53 -1.504 -6.996 -8.518 454 2HA GLY 53 2HA GLY 53 -0.793 -8.088 -7.318 455 H VAL 54 H VAL 54 -3.022 -5.389 -6.463 456 HA VAL 54 HA VAL 54 -5.208 -7.331 -6.037 457 HB VAL 54 HB VAL 54 -5.621 -6.573 -3.771 458 1HG1 VAL 54 1HG1 VAL 54 -3.930 -8.434 -4.060 459 2HG1 VAL 54 2HG1 VAL 54 -2.640 -7.219 -3.884 460 3HG1 VAL 54 3HG1 VAL 54 -3.784 -7.520 -2.556 461 1HG2 VAL 54 1HG2 VAL 54 -5.008 -4.336 -3.718 462 2HG2 VAL 54 2HG2 VAL 54 -3.859 -5.149 -2.629 463 3HG2 VAL 54 3HG2 VAL 54 -3.333 -4.671 -4.254 464 H ALA 55 H ALA 55 -7.282 -6.080 -5.508 465 HA ALA 55 HA ALA 55 -7.545 -3.966 -7.497 466 1HB ALA 55 1HB ALA 55 -9.948 -4.106 -6.866 467 2HB ALA 55 2HB ALA 55 -9.262 -5.699 -7.203 468 3HB ALA 55 3HB ALA 55 -9.529 -5.180 -5.522 469 H VAL 56 H VAL 56 -8.507 -1.835 -7.059 470 HA VAL 56 HA VAL 56 -7.820 -0.418 -4.636 471 HB VAL 56 HB VAL 56 -9.859 0.126 -6.858 472 1HG1 VAL 56 1HG1 VAL 56 -9.631 2.495 -6.172 473 2HG1 VAL 56 2HG1 VAL 56 -10.288 1.499 -4.872 474 3HG1 VAL 56 3HG1 VAL 56 -8.584 1.997 -4.815 475 1HG2 VAL 56 1HG2 VAL 56 -6.986 1.109 -6.569 476 2HG2 VAL 56 2HG2 VAL 56 -7.565 -0.050 -7.786 477 3HG2 VAL 56 3HG2 VAL 56 -8.154 1.613 -7.818 478 H ASP 57 H ASP 57 -10.719 -2.273 -5.818 479 HA ASP 57 HA ASP 57 -12.341 -1.685 -3.572 480 1HB ASP 57 1HB ASP 57 -12.958 -2.964 -5.733 481 2HB ASP 57 2HB ASP 57 -12.164 -4.368 -5.030 482 H TRP 58 H TRP 58 -9.751 -4.102 -3.930 483 HA TRP 58 HA TRP 58 -10.298 -5.291 -1.342 484 1HB TRP 58 1HB TRP 58 -8.974 -6.450 -3.131 485 2HB TRP 58 2HB TRP 58 -7.765 -5.166 -2.953 486 HD1 TRP 58 HD TRP 58 -9.179 -8.119 -1.141 487 HE1 TRP 58 1HE TRP 58 -7.621 -8.883 0.762 488 HE3 TRP 58 3HE TRP 58 -5.779 -4.408 -1.505 489 HZ2 TRP 58 2HZ TRP 58 -5.112 -7.903 1.946 490 HZ3 TRP 58 3HZ TRP 58 -3.651 -4.473 -0.155 491 HH2 TRP 58 HH TRP 58 -3.381 -6.209 1.598 492 H LEU 59 H LEU 59 -8.127 -2.716 -2.595 493 HA LEU 59 HA LEU 59 -6.846 -2.195 -0.113 494 1HB LEU 59 1HB LEU 59 -7.219 -0.700 -2.661 495 2HB LEU 59 2HB LEU 59 -6.914 0.256 -1.253 496 HG LEU 59 HG LEU 59 -5.160 -1.939 -2.365 497 1HD1 LEU 59 1HD1 LEU 59 -4.413 0.943 -1.834 498 2HD1 LEU 59 2HD1 LEU 59 -3.658 -0.195 -2.960 499 3HD1 LEU 59 3HD1 LEU 59 -5.244 0.493 -3.332 500 1HD2 LEU 59 1HD2 LEU 59 -3.472 -1.069 -0.554 501 2HD2 LEU 59 2HD2 LEU 59 -4.892 -0.406 0.259 502 3HD2 LEU 59 3HD2 LEU 59 -4.744 -2.158 0.000 503 H LEU 60 H LEU 60 -9.851 -0.748 -1.475 504 HA LEU 60 HA LEU 60 -10.120 1.002 0.822 505 1HB LEU 60 1HB LEU 60 -11.868 0.231 -1.550 506 2HB LEU 60 2HB LEU 60 -12.453 1.283 -0.283 507 HG LEU 60 HG LEU 60 -9.977 1.800 -2.000 508 1HD1 LEU 60 1HD1 LEU 60 -12.744 3.073 -2.121 509 2HD1 LEU 60 2HD1 LEU 60 -11.340 3.507 -3.130 510 3HD1 LEU 60 3HD1 LEU 60 -12.083 1.907 -3.282 511 1HD2 LEU 60 1HD2 LEU 60 -10.169 4.153 -1.108 512 2HD2 LEU 60 2HD2 LEU 60 -11.344 3.544 0.084 513 3HD2 LEU 60 3HD2 LEU 60 -9.663 2.967 0.090 514 H ASN 61 H ASN 61 -11.923 -1.799 -0.416 515 HA ASN 61 HA ASN 61 -13.583 -1.794 2.002 516 1HB ASN 61 1HB ASN 61 -14.030 -3.249 -0.624 517 2HB ASN 61 2HB ASN 61 -15.195 -2.912 0.639 518 1HD2 ASN 61 1HD2 ASN 61 -14.248 -1.845 -2.413 519 2HD2 ASN 61 2HD2 ASN 61 -14.648 -0.169 -2.309 520 H GLY 62 H GLY 62 -11.024 -3.831 0.512 521 1HA GLY 62 1HA GLY 62 -9.875 -5.281 1.832 522 2HA GLY 62 2HA GLY 62 -11.171 -5.334 3.014 523 H ALA 63 H ALA 63 -12.109 -5.870 -0.256 524 HA ALA 63 HA ALA 63 -13.285 -7.542 -1.140 525 1HB ALA 63 1HB ALA 63 -12.360 -9.855 -1.114 526 2HB ALA 63 2HB ALA 63 -11.261 -8.620 -1.743 527 3HB ALA 63 3HB ALA 63 -11.032 -9.266 -0.095 Start of MODEL 18 1 1H MET 0 H MET 0 -10.455 -4.831 7.582 2 HA MET 0 HA MET 0 -9.066 -4.468 9.975 3 1HB MET 0 1HB MET 0 -6.823 -4.997 9.269 4 2HB MET 0 2HB MET 0 -7.807 -6.445 9.155 5 1HG MET 0 1HG MET 0 -7.033 -4.661 6.833 6 2HG MET 0 2HG MET 0 -6.177 -6.118 7.296 7 1HE MET 0 1HE MET 0 -8.530 -8.241 7.914 8 2HE MET 0 2HE MET 0 -8.635 -8.994 6.310 9 3HE MET 0 3HE MET 0 -7.050 -8.568 6.995 10 H LEU 1 H LEU 1 -7.380 -2.673 9.576 11 HA LEU 1 HA LEU 1 -8.623 -0.654 7.875 12 1HB LEU 1 1HB LEU 1 -5.928 -0.028 8.942 13 2HB LEU 1 2HB LEU 1 -7.373 0.930 8.861 14 HG LEU 1 HG LEU 1 -6.936 0.803 11.095 15 1HD1 LEU 1 1HD1 LEU 1 -9.320 0.070 10.516 16 2HD1 LEU 1 2HD1 LEU 1 -8.833 -1.552 11.033 17 3HD1 LEU 1 3HD1 LEU 1 -8.737 -0.190 12.161 18 1HD2 LEU 1 1HD2 LEU 1 -6.253 -2.143 10.814 19 2HD2 LEU 1 2HD2 LEU 1 -5.158 -0.798 11.110 20 3HD2 LEU 1 3HD2 LEU 1 -6.342 -1.260 12.343 21 H MET 2 H MET 2 -7.276 0.631 6.351 22 HA MET 2 HA MET 2 -6.166 -0.865 4.247 23 1HB MET 2 1HB MET 2 -6.104 2.057 5.045 24 2HB MET 2 2HB MET 2 -4.899 1.514 3.894 25 1HG MET 2 1HG MET 2 -6.608 2.145 2.481 26 2HG MET 2 2HG MET 2 -6.799 0.410 2.603 27 1HE MET 2 1HE MET 2 -9.510 3.683 4.452 28 2HE MET 2 2HE MET 2 -7.781 3.554 4.817 29 3HE MET 2 3HE MET 2 -8.312 3.921 3.162 30 H GLY 3 H GLY 3 -4.421 1.020 6.753 31 1HA GLY 3 1HA GLY 3 -1.872 0.544 5.867 32 2HA GLY 3 2HA GLY 3 -2.275 0.782 7.577 33 H GLU 4 H GLU 4 -3.384 -1.441 8.483 34 HA GLU 4 HA GLU 4 -1.358 -3.362 8.502 35 1HB GLU 4 1HB GLU 4 -3.897 -3.001 9.778 36 2HB GLU 4 2HB GLU 4 -3.952 -4.609 9.069 37 1HG GLU 4 1HG GLU 4 -1.905 -3.517 11.034 38 2HG GLU 4 2HG GLU 4 -3.116 -4.766 11.320 39 H ARG 5 H ARG 5 -4.274 -3.243 6.475 40 HA ARG 5 HA ARG 5 -4.076 -5.764 5.196 41 1HB ARG 5 1HB ARG 5 -6.069 -4.579 4.885 42 2HB ARG 5 2HB ARG 5 -5.270 -3.049 4.609 43 1HG ARG 5 1HG ARG 5 -4.477 -3.873 2.396 44 2HG ARG 5 2HG ARG 5 -5.492 -5.313 2.689 45 1HD ARG 5 1HD ARG 5 -6.333 -2.425 2.397 46 2HD ARG 5 2HD ARG 5 -6.556 -3.778 1.263 47 HE ARG 5 HE ARG 5 -8.110 -4.727 2.465 48 1HH1 ARG 5 2HH2 ARG 5 -8.227 -1.384 3.078 49 2HH1 ARG 5 1HH2 ARG 5 -9.187 -1.400 4.515 50 1HH2 ARG 5 2HH1 ARG 5 -9.255 -4.952 4.617 51 2HH2 ARG 5 1HH1 ARG 5 -9.802 -3.492 5.378 52 H ILE 6 H ILE 6 -2.588 -2.607 4.345 53 HA ILE 6 HA ILE 6 -1.246 -3.584 2.002 54 HB ILE 6 HB ILE 6 -0.810 -1.153 3.781 55 1HG1 ILE 6 1HG1 ILE 6 -1.801 -1.237 0.906 56 2HG1 ILE 6 2HG1 ILE 6 -2.926 -1.499 2.231 57 1HG2 ILE 6 1HG2 ILE 6 0.637 -0.222 1.988 58 2HG2 ILE 6 2HG2 ILE 6 1.344 -1.671 2.675 59 3HG2 ILE 6 3HG2 ILE 6 0.540 -1.762 1.102 60 1HD1 ILE 6 1HD1 ILE 6 -3.013 0.818 1.581 61 2HD1 ILE 6 2HD1 ILE 6 -2.305 0.704 3.206 62 3HD1 ILE 6 3HD1 ILE 6 -1.264 0.996 1.794 63 H ARG 7 H ARG 7 -0.186 -3.092 5.422 64 HA ARG 7 HA ARG 7 2.468 -3.851 5.057 65 1HB ARG 7 1HB ARG 7 1.169 -2.803 7.066 66 2HB ARG 7 2HB ARG 7 0.841 -4.439 7.573 67 1HG ARG 7 1HG ARG 7 3.711 -3.952 6.994 68 2HG ARG 7 2HG ARG 7 3.058 -2.808 8.148 69 1HD ARG 7 1HD ARG 7 3.974 -4.516 9.428 70 2HD ARG 7 2HD ARG 7 2.233 -4.772 9.527 71 HE ARG 7 HE ARG 7 4.267 -6.303 8.016 72 1HH1 ARG 7 2HH2 ARG 7 0.808 -6.208 9.159 73 2HH1 ARG 7 1HH2 ARG 7 0.626 -7.906 8.980 74 1HH2 ARG 7 2HH1 ARG 7 3.945 -8.564 8.048 75 2HH2 ARG 7 1HH1 ARG 7 2.356 -9.243 8.139 76 H ALA 8 H ALA 8 -0.310 -5.920 5.948 77 HA ALA 8 HA ALA 8 1.117 -8.383 6.024 78 1HB ALA 8 1HB ALA 8 -1.114 -9.416 5.812 79 2HB ALA 8 2HB ALA 8 -1.143 -8.073 6.972 80 3HB ALA 8 3HB ALA 8 -1.812 -7.849 5.340 81 H ARG 9 H ARG 9 -0.747 -6.867 3.325 82 HA ARG 9 HA ARG 9 -0.212 -9.008 1.513 83 1HB ARG 9 1HB ARG 9 -2.119 -7.600 1.287 84 2HB ARG 9 2HB ARG 9 -1.114 -6.148 1.111 85 1HG ARG 9 1HG ARG 9 -2.068 -6.772 -1.020 86 2HG ARG 9 2HG ARG 9 -0.319 -6.930 -1.043 87 1HD ARG 9 1HD ARG 9 -0.602 -9.406 -0.726 88 2HD ARG 9 2HD ARG 9 -2.353 -9.163 -0.906 89 HE ARG 9 HE ARG 9 -0.839 -7.930 -3.058 90 1HH1 ARG 9 2HH2 ARG 9 -2.017 -11.157 -1.974 91 2HH1 ARG 9 1HH2 ARG 9 -1.868 -11.817 -3.567 92 1HH2 ARG 9 2HH1 ARG 9 -0.756 -8.870 -5.070 93 2HH2 ARG 9 1HH1 ARG 9 -1.582 -10.388 -5.401 94 H ARG 10 H ARG 10 1.652 -5.989 2.171 95 HA ARG 10 HA ARG 10 3.577 -6.328 0.206 96 1HB ARG 10 1HB ARG 10 3.326 -4.525 2.281 97 2HB ARG 10 2HB ARG 10 4.443 -5.639 3.012 98 1HG ARG 10 1HG ARG 10 5.997 -5.403 1.202 99 2HG ARG 10 2HG ARG 10 4.851 -4.541 0.196 100 1HD ARG 10 1HD ARG 10 6.750 -3.208 1.373 101 2HD ARG 10 2HD ARG 10 5.140 -2.549 1.298 102 HE ARG 10 HE ARG 10 4.836 -2.605 3.401 103 1HH1 ARG 10 2HH2 ARG 10 7.352 -5.185 2.955 104 2HH1 ARG 10 1HH2 ARG 10 7.476 -5.422 4.657 105 1HH2 ARG 10 2HH1 ARG 10 5.053 -2.990 5.522 106 2HH2 ARG 10 1HH1 ARG 10 5.904 -4.376 6.134 107 H ILE 11 H ILE 11 3.559 -7.840 3.496 108 HA ILE 11 HA ILE 11 5.913 -9.412 3.037 109 HB ILE 11 HB ILE 11 3.599 -9.911 4.948 110 1HG1 ILE 11 1HG1 ILE 11 4.531 -7.773 5.494 111 2HG1 ILE 11 2HG1 ILE 11 5.147 -8.921 6.654 112 1HG2 ILE 11 1HG2 ILE 11 6.416 -11.079 4.938 113 2HG2 ILE 11 2HG2 ILE 11 5.258 -11.219 6.281 114 3HG2 ILE 11 3HG2 ILE 11 4.892 -11.956 4.724 115 1HD1 ILE 11 1HD1 ILE 11 6.874 -7.365 6.014 116 2HD1 ILE 11 2HD1 ILE 11 7.321 -8.978 5.438 117 3HD1 ILE 11 3HD1 ILE 11 6.682 -7.751 4.306 118 H GLN 12 H GLN 12 2.493 -10.032 2.346 119 HA GLN 12 HA GLN 12 2.785 -12.664 1.418 120 1HB GLN 12 1HB GLN 12 0.737 -11.009 1.794 121 2HB GLN 12 2HB GLN 12 0.950 -10.660 0.082 122 1HG GLN 12 1HG GLN 12 0.538 -13.039 -0.447 123 2HG GLN 12 2HG GLN 12 0.251 -13.348 1.278 124 1HE2 GLN 12 1HE2 GLN 12 -1.616 -13.582 -1.015 125 2HE2 GLN 12 2HE2 GLN 12 -3.029 -12.621 -0.593 126 H LEU 13 H LEU 13 3.795 -9.746 -0.137 127 HA LEU 13 HA LEU 13 4.629 -11.260 -2.575 128 1HB LEU 13 1HB LEU 13 3.399 -9.186 -2.894 129 2HB LEU 13 2HB LEU 13 4.582 -8.297 -1.951 130 HG LEU 13 HG LEU 13 6.271 -8.552 -3.683 131 1HD1 LEU 13 1HD1 LEU 13 5.764 -9.656 -5.862 132 2HD1 LEU 13 2HD1 LEU 13 5.942 -10.782 -4.523 133 3HD1 LEU 13 3HD1 LEU 13 4.323 -10.384 -5.126 134 1HD2 LEU 13 1HD2 LEU 13 3.532 -7.863 -4.841 135 2HD2 LEU 13 2HD2 LEU 13 4.616 -6.752 -3.988 136 3HD2 LEU 13 3HD2 LEU 13 5.087 -7.412 -5.565 137 H GLY 14 H GLY 14 5.738 -10.385 0.486 138 1HA GLY 14 1HA GLY 14 7.692 -10.706 1.582 139 2HA GLY 14 2HA GLY 14 8.216 -11.680 0.212 140 H LEU 15 H LEU 15 7.411 -8.163 0.075 141 HA LEU 15 HA LEU 15 10.226 -7.525 -0.321 142 1HB LEU 15 1HB LEU 15 9.787 -6.461 -2.185 143 2HB LEU 15 2HB LEU 15 8.511 -7.625 -2.348 144 HG LEU 15 HG LEU 15 8.119 -4.863 -1.106 145 1HD1 LEU 15 1HD1 LEU 15 8.888 -4.680 -3.551 146 2HD1 LEU 15 2HD1 LEU 15 7.562 -5.749 -3.977 147 3HD1 LEU 15 3HD1 LEU 15 7.216 -4.144 -3.309 148 1HD2 LEU 15 1HD2 LEU 15 6.201 -6.816 -2.341 149 2HD2 LEU 15 2HD2 LEU 15 6.383 -6.520 -0.623 150 3HD2 LEU 15 3HD2 LEU 15 5.767 -5.235 -1.690 151 H ASN 16 H ASN 16 10.603 -5.189 0.040 152 HA ASN 16 HA ASN 16 9.616 -4.620 2.813 153 1HB ASN 16 1HB ASN 16 11.869 -3.322 1.267 154 2HB ASN 16 2HB ASN 16 11.457 -2.975 2.915 155 1HD2 ASN 16 1HD2 ASN 16 13.901 -4.157 1.684 156 2HD2 ASN 16 2HD2 ASN 16 14.236 -5.603 2.621 157 H GLN 17 H GLN 17 9.231 -2.331 3.439 158 HA GLN 17 HA GLN 17 7.313 -0.934 1.980 159 1HB GLN 17 1HB GLN 17 9.406 0.075 3.948 160 2HB GLN 17 2HB GLN 17 8.034 1.036 3.385 161 1HG GLN 17 1HG GLN 17 6.459 -0.618 4.316 162 2HG GLN 17 2HG GLN 17 7.800 -1.614 4.875 163 1HE2 GLN 17 1HE2 GLN 17 5.873 -0.743 6.593 164 2HE2 GLN 17 2HE2 GLN 17 6.621 0.330 7.791 165 H ALA 18 H ALA 18 10.860 -0.343 2.027 166 HA ALA 18 HA ALA 18 10.888 1.814 0.239 167 1HB ALA 18 1HB ALA 18 12.711 1.122 1.789 168 2HB ALA 18 2HB ALA 18 13.014 -0.299 0.792 169 3HB ALA 18 3HB ALA 18 13.283 1.327 0.122 170 H GLU 19 H GLU 19 10.945 -1.706 -0.411 171 HA GLU 19 HA GLU 19 11.529 -1.387 -3.241 172 1HB GLU 19 1HB GLU 19 10.207 -3.743 -1.817 173 2HB GLU 19 2HB GLU 19 10.872 -3.709 -3.451 174 1HG GLU 19 1HG GLU 19 13.051 -2.950 -1.921 175 2HG GLU 19 2HG GLU 19 12.222 -4.089 -0.850 176 H LEU 20 H LEU 20 8.580 -1.994 -1.317 177 HA LEU 20 HA LEU 20 6.717 -1.985 -3.458 178 1HB LEU 20 1HB LEU 20 6.197 -2.718 -1.113 179 2HB LEU 20 2HB LEU 20 6.291 -1.040 -0.584 180 HG LEU 20 HG LEU 20 4.370 -0.478 -2.134 181 1HD1 LEU 20 1HD1 LEU 20 4.370 -3.500 -2.517 182 2HD1 LEU 20 2HD1 LEU 20 3.026 -2.424 -2.974 183 3HD1 LEU 20 3HD1 LEU 20 4.585 -2.238 -3.770 184 1HD2 LEU 20 1HD2 LEU 20 3.860 -1.045 0.234 185 2HD2 LEU 20 2HD2 LEU 20 2.570 -1.536 -0.857 186 3HD2 LEU 20 3HD2 LEU 20 3.653 -2.750 -0.234 187 H ALA 21 H ALA 21 8.064 0.622 -1.532 188 HA ALA 21 HA ALA 21 6.641 2.732 -2.697 189 1HB ALA 21 1HB ALA 21 7.949 3.062 -0.661 190 2HB ALA 21 2HB ALA 21 9.467 2.785 -1.539 191 3HB ALA 21 3HB ALA 21 8.483 4.194 -1.910 192 H GLN 22 H GLN 22 9.964 1.674 -3.534 193 HA GLN 22 HA GLN 22 10.441 3.621 -5.481 194 1HB GLN 22 1HB GLN 22 12.242 2.273 -4.556 195 2HB GLN 22 2HB GLN 22 11.534 0.781 -5.197 196 1HG GLN 22 1HG GLN 22 11.931 1.563 -7.520 197 2HG GLN 22 2HG GLN 22 12.549 3.093 -6.900 198 1HE2 GLN 22 1HE2 GLN 22 14.741 3.071 -7.296 199 2HE2 GLN 22 2HE2 GLN 22 15.810 1.700 -7.038 200 H LYS 23 H LYS 23 9.173 0.282 -5.902 201 HA LYS 23 HA LYS 23 9.037 0.393 -8.719 202 1HB LYS 23 1HB LYS 23 8.576 -1.793 -8.445 203 2HB LYS 23 2HB LYS 23 9.165 -1.527 -6.818 204 1HG LYS 23 1HG LYS 23 6.752 -0.998 -6.201 205 2HG LYS 23 2HG LYS 23 6.280 -1.607 -7.812 206 1HD LYS 23 1HD LYS 23 7.519 -3.744 -7.096 207 2HD LYS 23 2HD LYS 23 7.544 -3.060 -5.455 208 1HE LYS 23 1HE LYS 23 5.279 -3.486 -5.165 209 2HE LYS 23 2HE LYS 23 4.930 -2.609 -6.609 210 1HZ LYS 23 1HZ LYS 23 4.300 -5.002 -6.847 211 2HZ LYS 23 2HZ LYS 23 5.469 -4.589 -7.930 212 3HZ LYS 23 3HZ LYS 23 5.883 -5.435 -6.615 213 H VAL 24 H VAL 24 6.899 1.759 -6.319 214 HA VAL 24 HA VAL 24 4.675 1.960 -8.282 215 HB VAL 24 HB VAL 24 4.838 2.525 -5.293 216 1HG1 VAL 24 1HG1 VAL 24 2.414 2.203 -7.088 217 2HG1 VAL 24 2HG1 VAL 24 2.412 2.421 -5.314 218 3HG1 VAL 24 3HG1 VAL 24 2.967 3.734 -6.370 219 1HG2 VAL 24 1HG2 VAL 24 4.957 0.011 -6.036 220 2HG2 VAL 24 2HG2 VAL 24 3.617 0.422 -4.989 221 3HG2 VAL 24 3HG2 VAL 24 3.379 0.244 -6.749 222 H GLY 25 H GLY 25 7.313 3.710 -6.898 223 1HA GLY 25 1HA GLY 25 8.206 5.644 -7.919 224 2HA GLY 25 2HA GLY 25 6.585 6.160 -8.405 225 H VAL 26 H VAL 26 6.313 5.034 -5.230 226 HA VAL 26 HA VAL 26 6.000 7.801 -4.333 227 HB VAL 26 HB VAL 26 4.653 6.839 -2.604 228 1HG1 VAL 26 1HG1 VAL 26 3.535 7.012 -4.790 229 2HG1 VAL 26 2HG1 VAL 26 4.093 5.389 -5.247 230 3HG1 VAL 26 3HG1 VAL 26 2.975 5.567 -3.918 231 1HG2 VAL 26 1HG2 VAL 26 4.247 4.489 -2.262 232 2HG2 VAL 26 2HG2 VAL 26 5.343 4.064 -3.588 233 3HG2 VAL 26 3HG2 VAL 26 5.977 4.791 -2.084 234 H ASP 27 H ASP 27 6.628 8.049 -1.780 235 HA ASP 27 HA ASP 27 9.479 7.523 -1.620 236 1HB ASP 27 1HB ASP 27 8.650 8.471 0.826 237 2HB ASP 27 2HB ASP 27 9.275 9.471 -0.468 238 H GLN 28 H GLN 28 10.438 6.244 0.059 239 HA GLN 28 HA GLN 28 9.197 3.836 0.904 240 1HB GLN 28 1HB GLN 28 11.585 4.213 0.907 241 2HB GLN 28 2HB GLN 28 11.457 5.441 2.162 242 1HG GLN 28 1HG GLN 28 10.433 2.607 2.638 243 2HG GLN 28 2HG GLN 28 12.157 2.988 2.735 244 1HE2 GLN 28 1HE2 GLN 28 9.362 2.802 4.716 245 2HE2 GLN 28 2HE2 GLN 28 10.058 3.693 6.018 246 H GLN 29 H GLN 29 9.395 7.051 2.435 247 HA GLN 29 HA GLN 29 7.980 6.398 4.724 248 1HB GLN 29 1HB GLN 29 9.136 8.725 3.958 249 2HB GLN 29 2HB GLN 29 7.431 9.140 3.690 250 1HG GLN 29 1HG GLN 29 7.285 7.838 6.132 251 2HG GLN 29 2HG GLN 29 8.903 8.503 6.233 252 1HE2 GLN 29 1HE2 GLN 29 9.083 10.857 6.322 253 2HE2 GLN 29 2HE2 GLN 29 7.750 11.578 7.231 254 H ALA 30 H ALA 30 6.661 7.193 1.462 255 HA ALA 30 HA ALA 30 4.006 7.583 2.281 256 1HB ALA 30 1HB ALA 30 4.899 6.338 -0.338 257 2HB ALA 30 2HB ALA 30 3.367 7.150 0.000 258 3HB ALA 30 3HB ALA 30 4.850 8.091 -0.033 259 H ILE 31 H ILE 31 5.768 4.489 1.745 260 HA ILE 31 HA ILE 31 3.306 2.956 2.119 261 HB ILE 31 HB ILE 31 6.211 2.085 2.286 262 1HG1 ILE 31 1HG1 ILE 31 5.901 2.916 0.091 263 2HG1 ILE 31 2HG1 ILE 31 5.844 1.174 0.013 264 1HG2 ILE 31 1HG2 ILE 31 5.252 -0.187 1.877 265 2HG2 ILE 31 2HG2 ILE 31 4.718 0.512 3.403 266 3HG2 ILE 31 3HG2 ILE 31 3.617 0.495 2.031 267 1HD1 ILE 31 1HD1 ILE 31 3.313 1.333 -0.150 268 2HD1 ILE 31 2HD1 ILE 31 3.491 3.101 -0.222 269 3HD1 ILE 31 3HD1 ILE 31 4.191 2.091 -1.493 270 H GLU 32 H GLU 32 6.073 4.001 4.160 271 HA GLU 32 HA GLU 32 5.332 2.560 6.494 272 1HB GLU 32 1HB GLU 32 7.520 3.466 6.096 273 2HB GLU 32 2HB GLU 32 6.914 5.114 6.020 274 1HG GLU 32 1HG GLU 32 6.891 5.402 8.246 275 2HG GLU 32 2HG GLU 32 6.228 3.804 8.547 276 H GLN 33 H GLN 33 4.390 5.829 5.387 277 HA GLN 33 HA GLN 33 2.870 6.432 7.737 278 1HB GLN 33 1HB GLN 33 2.096 8.354 6.671 279 2HB GLN 33 2HB GLN 33 3.721 8.136 6.018 280 1HG GLN 33 1HG GLN 33 2.707 7.036 4.039 281 2HG GLN 33 2HG GLN 33 1.096 7.390 4.648 282 1HE2 GLN 33 1HE2 GLN 33 1.848 10.220 5.592 283 2HE2 GLN 33 2HE2 GLN 33 1.878 11.077 4.071 284 H LEU 34 H LEU 34 2.109 4.741 4.636 285 HA LEU 34 HA LEU 34 -0.717 4.770 4.982 286 1HB LEU 34 1HB LEU 34 1.358 3.478 3.252 287 2HB LEU 34 2HB LEU 34 -0.042 2.481 3.508 288 HG LEU 34 HG LEU 34 -0.211 5.369 2.646 289 1HD1 LEU 34 1HD1 LEU 34 -0.253 2.851 0.900 290 2HD1 LEU 34 2HD1 LEU 34 -0.472 4.525 0.340 291 3HD1 LEU 34 3HD1 LEU 34 1.082 4.004 0.997 292 1HD2 LEU 34 1HD2 LEU 34 -2.447 4.850 1.872 293 2HD2 LEU 34 2HD2 LEU 34 -2.264 3.139 2.279 294 3HD2 LEU 34 3HD2 LEU 34 -2.338 4.351 3.561 295 H GLU 35 H GLU 35 1.844 2.444 5.728 296 HA GLU 35 HA GLU 35 0.126 0.393 6.669 297 1HB GLU 35 1HB GLU 35 3.087 0.888 7.012 298 2HB GLU 35 2HB GLU 35 2.255 -0.549 7.652 299 1HG GLU 35 1HG GLU 35 1.340 -1.052 5.405 300 2HG GLU 35 2HG GLU 35 2.139 0.346 4.727 301 H ASN 36 H ASN 36 1.552 3.171 8.393 302 HA ASN 36 HA ASN 36 0.286 2.248 10.889 303 1HB ASN 36 1HB ASN 36 1.832 3.331 11.973 304 2HB ASN 36 2HB ASN 36 2.707 3.416 10.451 305 1HD2 ASN 36 1HD2 ASN 36 2.712 5.300 9.252 306 2HD2 ASN 36 2HD2 ASN 36 2.507 6.856 10.080 307 H GLY 37 H GLY 37 -0.967 3.430 8.219 308 1HA GLY 37 1HA GLY 37 -3.093 4.017 7.876 309 2HA GLY 37 2HA GLY 37 -3.326 4.173 9.619 310 H LYS 38 H LYS 38 -0.774 6.106 8.252 311 HA LYS 38 HA LYS 38 -2.245 8.531 8.976 312 1HB LYS 38 1HB LYS 38 0.545 7.732 8.642 313 2HB LYS 38 2HB LYS 38 0.230 9.219 7.761 314 1HG LYS 38 1HG LYS 38 -0.724 8.839 10.624 315 2HG LYS 38 2HG LYS 38 0.934 9.331 10.278 316 1HD LYS 38 1HD LYS 38 0.325 11.379 9.342 317 2HD LYS 38 2HD LYS 38 -1.340 10.887 9.021 318 1HE LYS 38 1HE LYS 38 -1.878 10.913 11.407 319 2HE LYS 38 2HE LYS 38 -0.176 11.172 11.813 320 1HZ LYS 38 1HZ LYS 38 -0.789 13.325 11.830 321 2HZ LYS 38 2HZ LYS 38 -0.666 13.251 10.207 322 3HZ LYS 38 3HZ LYS 38 -2.132 13.100 10.927 323 H ALA 39 H ALA 39 -1.431 6.924 5.804 324 HA ALA 39 HA ALA 39 -2.820 9.197 4.498 325 1HB ALA 39 1HB ALA 39 -0.857 8.227 3.357 326 2HB ALA 39 2HB ALA 39 -1.701 6.665 3.340 327 3HB ALA 39 3HB ALA 39 -2.366 8.035 2.436 328 H LYS 40 H LYS 40 -5.021 9.107 4.537 329 HA LYS 40 HA LYS 40 -6.466 6.604 5.040 330 1HB LYS 40 1HB LYS 40 -7.138 8.924 5.808 331 2HB LYS 40 2HB LYS 40 -7.570 9.311 4.155 332 1HG LYS 40 1HG LYS 40 -8.793 7.122 5.889 333 2HG LYS 40 2HG LYS 40 -9.451 8.719 5.570 334 1HD LYS 40 1HD LYS 40 -9.368 7.946 3.024 335 2HD LYS 40 2HD LYS 40 -9.341 6.318 3.760 336 1HE LYS 40 1HE LYS 40 -11.314 7.243 5.230 337 2HE LYS 40 2HE LYS 40 -11.397 8.545 4.055 338 1HZ LYS 40 1HZ LYS 40 -11.941 5.691 3.634 339 2HZ LYS 40 2HZ LYS 40 -12.915 7.005 3.392 340 3HZ LYS 40 3HZ LYS 40 -11.697 6.709 2.344 341 H ARG 41 H ARG 41 -6.433 8.964 2.263 342 HA ARG 41 HA ARG 41 -6.472 6.655 0.402 343 1HB ARG 41 1HB ARG 41 -8.575 7.679 0.234 344 2HB ARG 41 2HB ARG 41 -7.922 9.313 0.271 345 1HG ARG 41 1HG ARG 41 -6.945 9.129 -1.922 346 2HG ARG 41 2HG ARG 41 -7.316 7.399 -1.970 347 1HD ARG 41 1HD ARG 41 -9.809 8.597 -1.436 348 2HD ARG 41 2HD ARG 41 -9.037 9.730 -2.564 349 HE ARG 41 HE ARG 41 -8.507 7.316 -3.672 350 1HH1 ARG 41 2HH2 ARG 41 -11.589 8.874 -2.755 351 2HH1 ARG 41 1HH2 ARG 41 -12.466 8.020 -3.984 352 1HH2 ARG 41 2HH1 ARG 41 -9.756 6.084 -5.077 353 2HH2 ARG 41 1HH1 ARG 41 -11.498 6.158 -5.051 354 HA PRO 42 HA PRO 42 -2.585 8.969 -0.383 355 1HB PRO 42 1HB PRO 42 -1.334 7.059 -1.857 356 2HB PRO 42 2HB PRO 42 -1.414 6.981 -0.065 357 1HG PRO 42 1HG PRO 42 -3.117 5.564 -2.118 358 2HG PRO 42 2HG PRO 42 -2.391 4.866 -0.652 359 1HD PRO 42 1HD PRO 42 -5.001 5.719 -0.777 360 2HD PRO 42 2HD PRO 42 -4.056 5.802 0.737 361 H ARG 43 H ARG 43 -1.773 9.900 -2.432 362 HA ARG 43 HA ARG 43 -3.785 10.199 -4.495 363 1HB ARG 43 1HB ARG 43 -2.199 11.654 -5.609 364 2HB ARG 43 2HB ARG 43 -2.224 11.994 -3.890 365 1HG ARG 43 1HG ARG 43 0.019 12.108 -4.283 366 2HG ARG 43 2HG ARG 43 -0.104 10.427 -3.798 367 1HD ARG 43 1HD ARG 43 -0.209 9.878 -6.338 368 2HD ARG 43 2HD ARG 43 0.196 11.579 -6.602 369 HE ARG 43 HE ARG 43 2.041 10.341 -4.756 370 1HH1 ARG 43 2HH2 ARG 43 1.430 10.538 -8.295 371 2HH1 ARG 43 1HH2 ARG 43 3.092 10.247 -8.661 372 1HH2 ARG 43 2HH1 ARG 43 4.029 9.685 -5.299 373 2HH2 ARG 43 1HH1 ARG 43 4.573 9.606 -6.961 374 H PHE 44 H PHE 44 -1.695 7.657 -3.994 375 HA PHE 44 HA PHE 44 -1.366 7.044 -6.877 376 1HB PHE 44 1HB PHE 44 0.710 5.910 -6.078 377 2HB PHE 44 2HB PHE 44 0.687 7.642 -5.840 378 HD1 PHE 44 1HD PHE 44 1.102 8.571 -3.656 379 HD2 PHE 44 2HD PHE 44 0.154 4.428 -4.099 380 HE1 PHE 44 1HE PHE 44 1.615 8.204 -1.257 381 HE2 PHE 44 2HE PHE 44 0.731 4.025 -1.703 382 HZ PHE 44 HZ PHE 44 1.409 5.938 -0.267 383 H LEU 45 H LEU 45 -3.718 6.173 -4.932 384 HA LEU 45 HA LEU 45 -3.160 3.669 -3.928 385 1HB LEU 45 1HB LEU 45 -4.985 5.345 -3.315 386 2HB LEU 45 2HB LEU 45 -5.827 4.833 -4.774 387 HG LEU 45 HG LEU 45 -5.980 2.590 -3.950 388 1HD1 LEU 45 1HD1 LEU 45 -5.536 2.039 -1.566 389 2HD1 LEU 45 2HD1 LEU 45 -4.040 2.455 -2.414 390 3HD1 LEU 45 3HD1 LEU 45 -4.807 3.624 -1.326 391 1HD2 LEU 45 1HD2 LEU 45 -7.023 4.668 -1.960 392 2HD2 LEU 45 2HD2 LEU 45 -7.800 4.215 -3.491 393 3HD2 LEU 45 3HD2 LEU 45 -7.682 3.035 -2.178 394 HA PRO 46 HA PRO 46 -4.974 1.470 -7.715 395 1HB PRO 46 1HB PRO 46 -4.839 2.656 -10.206 396 2HB PRO 46 2HB PRO 46 -6.279 2.683 -9.149 397 1HG PRO 46 1HG PRO 46 -4.172 4.813 -9.481 398 2HG PRO 46 2HG PRO 46 -5.951 4.994 -9.417 399 1HD PRO 46 1HD PRO 46 -4.377 5.479 -7.273 400 2HD PRO 46 2HD PRO 46 -5.981 4.718 -7.081 401 H GLU 47 H GLU 47 -2.134 3.622 -8.040 402 HA GLU 47 HA GLU 47 -0.709 1.812 -9.822 403 1HB GLU 47 1HB GLU 47 0.135 4.207 -8.106 404 2HB GLU 47 2HB GLU 47 1.212 3.256 -9.092 405 1HG GLU 47 1HG GLU 47 0.719 5.104 -10.433 406 2HG GLU 47 2HG GLU 47 -0.249 3.802 -11.112 407 H LEU 48 H LEU 48 -0.897 2.580 -6.362 408 HA LEU 48 HA LEU 48 1.049 0.721 -5.409 409 1HB LEU 48 1HB LEU 48 0.032 2.435 -3.951 410 2HB LEU 48 2HB LEU 48 -1.535 1.647 -4.069 411 HG LEU 48 HG LEU 48 -0.419 -0.419 -2.998 412 1HD1 LEU 48 1HD1 LEU 48 1.824 1.635 -2.689 413 2HD1 LEU 48 2HD1 LEU 48 1.658 0.226 -1.646 414 3HD1 LEU 48 3HD1 LEU 48 1.918 -0.001 -3.382 415 1HD2 LEU 48 1HD2 LEU 48 -0.528 0.506 -0.739 416 2HD2 LEU 48 2HD2 LEU 48 -0.467 2.158 -1.392 417 3HD2 LEU 48 3HD2 LEU 48 -1.857 1.116 -1.733 418 H ALA 49 H ALA 49 -2.477 0.435 -5.808 419 HA ALA 49 HA ALA 49 -2.590 -2.318 -4.908 420 1HB ALA 49 1HB ALA 49 -4.576 -0.616 -5.283 421 2HB ALA 49 2HB ALA 49 -4.494 -1.071 -6.979 422 3HB ALA 49 3HB ALA 49 -4.859 -2.299 -5.750 423 H ARG 50 H ARG 50 -2.213 -0.990 -8.247 424 HA ARG 50 HA ARG 50 -2.283 -3.455 -9.634 425 1HB ARG 50 1HB ARG 50 -0.935 -0.751 -10.011 426 2HB ARG 50 2HB ARG 50 -0.455 -2.045 -11.067 427 1HG ARG 50 1HG ARG 50 -3.394 -1.347 -10.709 428 2HG ARG 50 2HG ARG 50 -2.351 -0.416 -11.785 429 1HD ARG 50 1HD ARG 50 -2.736 -3.427 -12.020 430 2HD ARG 50 2HD ARG 50 -3.646 -2.225 -12.941 431 HE ARG 50 HE ARG 50 -1.616 -1.439 -13.969 432 1HH1 ARG 50 2HH2 ARG 50 -1.186 -4.654 -12.458 433 2HH1 ARG 50 1HH2 ARG 50 0.442 -4.806 -13.029 434 1HH2 ARG 50 2HH1 ARG 50 0.411 -1.615 -14.635 435 2HH2 ARG 50 1HH1 ARG 50 1.396 -3.017 -14.353 436 H ALA 51 H ALA 51 0.558 -1.728 -8.284 437 HA ALA 51 HA ALA 51 2.269 -3.890 -8.988 438 1HB ALA 51 1HB ALA 51 2.755 -1.322 -8.480 439 2HB ALA 51 2HB ALA 51 3.052 -1.942 -6.843 440 3HB ALA 51 3HB ALA 51 3.977 -2.549 -8.257 441 H LEU 52 H LEU 52 0.464 -3.121 -6.004 442 HA LEU 52 HA LEU 52 1.527 -5.212 -4.383 443 1HB LEU 52 1HB LEU 52 -0.539 -3.207 -4.235 444 2HB LEU 52 2HB LEU 52 -1.301 -4.591 -3.888 445 HG LEU 52 HG LEU 52 0.838 -2.957 -2.511 446 1HD1 LEU 52 1HD1 LEU 52 -1.396 -4.618 -1.350 447 2HD1 LEU 52 2HD1 LEU 52 -0.364 -3.481 -0.449 448 3HD1 LEU 52 3HD1 LEU 52 -1.428 -2.888 -1.737 449 1HD2 LEU 52 1HD2 LEU 52 1.467 -4.851 -0.850 450 2HD2 LEU 52 2HD2 LEU 52 1.084 -5.938 -2.213 451 3HD2 LEU 52 3HD2 LEU 52 2.326 -4.713 -2.380 452 H GLY 53 H GLY 53 -0.899 -5.156 -6.914 453 1HA GLY 53 1HA GLY 53 -1.123 -7.002 -8.374 454 2HA GLY 53 2HA GLY 53 -0.798 -8.127 -7.058 455 H VAL 54 H VAL 54 -3.039 -5.400 -6.611 456 HA VAL 54 HA VAL 54 -5.350 -7.249 -6.513 457 HB VAL 54 HB VAL 54 -5.897 -6.513 -4.273 458 1HG1 VAL 54 1HG1 VAL 54 -4.272 -8.429 -4.480 459 2HG1 VAL 54 2HG1 VAL 54 -2.958 -7.266 -4.175 460 3HG1 VAL 54 3HG1 VAL 54 -4.200 -7.542 -2.942 461 1HG2 VAL 54 1HG2 VAL 54 -5.201 -4.307 -4.057 462 2HG2 VAL 54 2HG2 VAL 54 -4.034 -5.164 -3.029 463 3HG2 VAL 54 3HG2 VAL 54 -3.553 -4.634 -4.632 464 H ALA 55 H ALA 55 -7.386 -5.825 -5.936 465 HA ALA 55 HA ALA 55 -7.474 -3.503 -7.733 466 1HB ALA 55 1HB ALA 55 -9.601 -4.861 -6.009 467 2HB ALA 55 2HB ALA 55 -9.901 -3.581 -7.206 468 3HB ALA 55 3HB ALA 55 -9.294 -5.156 -7.735 469 H VAL 56 H VAL 56 -8.244 -1.414 -7.060 470 HA VAL 56 HA VAL 56 -7.537 -0.337 -4.485 471 HB VAL 56 HB VAL 56 -9.316 0.584 -6.785 472 1HG1 VAL 56 1HG1 VAL 56 -9.173 2.860 -5.726 473 2HG1 VAL 56 2HG1 VAL 56 -10.191 1.712 -4.852 474 3HG1 VAL 56 3HG1 VAL 56 -8.559 2.063 -4.251 475 1HG2 VAL 56 1HG2 VAL 56 -6.931 0.479 -7.312 476 2HG2 VAL 56 2HG2 VAL 56 -7.439 2.164 -7.164 477 3HG2 VAL 56 3HG2 VAL 56 -6.532 1.390 -5.842 478 H ASP 57 H ASP 57 -10.573 -1.715 -5.900 479 HA ASP 57 HA ASP 57 -12.205 -1.261 -3.668 480 1HB ASP 57 1HB ASP 57 -12.849 -2.357 -5.925 481 2HB ASP 57 2HB ASP 57 -12.206 -3.854 -5.250 482 H TRP 58 H TRP 58 -9.861 -3.956 -4.137 483 HA TRP 58 HA TRP 58 -10.545 -5.235 -1.628 484 1HB TRP 58 1HB TRP 58 -9.383 -6.494 -3.342 485 2HB TRP 58 2HB TRP 58 -8.093 -5.294 -3.370 486 HD1 TRP 58 HD TRP 58 -9.231 -8.284 -1.474 487 HE1 TRP 58 1HE TRP 58 -7.459 -9.045 0.236 488 HE3 TRP 58 3HE TRP 58 -6.087 -4.400 -1.982 489 HZ2 TRP 58 2HZ TRP 58 -5.062 -7.782 1.480 490 HZ3 TRP 58 3HZ TRP 58 -3.940 -4.293 -0.712 491 HH2 TRP 58 HH TRP 58 -3.506 -5.913 1.097 492 H LEU 59 H LEU 59 -8.207 -2.708 -2.667 493 HA LEU 59 HA LEU 59 -6.934 -2.563 -0.127 494 1HB LEU 59 1HB LEU 59 -7.012 -0.836 -2.558 495 2HB LEU 59 2HB LEU 59 -6.593 -0.050 -1.064 496 HG LEU 59 HG LEU 59 -5.141 -2.436 -2.248 497 1HD1 LEU 59 1HD1 LEU 59 -3.438 -0.980 -2.920 498 2HD1 LEU 59 2HD1 LEU 59 -4.903 -0.030 -3.276 499 3HD1 LEU 59 3HD1 LEU 59 -3.965 0.304 -1.824 500 1HD2 LEU 59 1HD2 LEU 59 -3.405 -1.935 -0.518 501 2HD2 LEU 59 2HD2 LEU 59 -4.497 -0.736 0.220 502 3HD2 LEU 59 3HD2 LEU 59 -4.905 -2.452 0.236 503 H LEU 60 H LEU 60 -9.800 -0.846 -1.335 504 HA LEU 60 HA LEU 60 -9.977 0.673 1.171 505 1HB LEU 60 1HB LEU 60 -11.774 0.285 -1.259 506 2HB LEU 60 2HB LEU 60 -12.276 1.234 0.133 507 HG LEU 60 HG LEU 60 -9.727 1.782 -1.480 508 1HD1 LEU 60 1HD1 LEU 60 -12.430 3.144 -1.634 509 2HD1 LEU 60 2HD1 LEU 60 -10.961 3.632 -2.518 510 3HD1 LEU 60 3HD1 LEU 60 -11.725 2.076 -2.871 511 1HD2 LEU 60 1HD2 LEU 60 -9.849 4.039 -0.395 512 2HD2 LEU 60 2HD2 LEU 60 -11.187 3.450 0.623 513 3HD2 LEU 60 3HD2 LEU 60 -9.563 2.749 0.767 514 H ASN 61 H ASN 61 -11.987 -1.828 -0.386 515 HA ASN 61 HA ASN 61 -13.571 -2.087 2.013 516 1HB ASN 61 1HB ASN 61 -13.860 -3.438 -0.689 517 2HB ASN 61 2HB ASN 61 -15.024 -3.490 0.625 518 1HD2 ASN 61 1HD2 ASN 61 -14.255 -1.756 -2.249 519 2HD2 ASN 61 2HD2 ASN 61 -14.976 -0.239 -1.822 520 H GLY 62 H GLY 62 -11.103 -4.178 0.375 521 1HA GLY 62 1HA GLY 62 -9.765 -5.501 1.735 522 2HA GLY 62 2HA GLY 62 -11.053 -5.681 2.897 523 H ALA 63 H ALA 63 -12.223 -6.300 -0.235 524 HA ALA 63 HA ALA 63 -13.330 -8.082 -0.952 525 1HB ALA 63 1HB ALA 63 -11.280 -9.013 -1.769 526 2HB ALA 63 2HB ALA 63 -10.872 -9.684 -0.163 527 3HB ALA 63 3HB ALA 63 -12.260 -10.299 -1.066 Start of MODEL 19 1 1H MET 0 H MET 0 -9.701 -6.442 8.226 2 HA MET 0 HA MET 0 -7.867 -5.854 10.473 3 1HB MET 0 1HB MET 0 -5.979 -6.043 9.015 4 2HB MET 0 2HB MET 0 -6.921 -7.514 8.915 5 1HG MET 0 1HG MET 0 -8.018 -6.163 6.831 6 2HG MET 0 2HG MET 0 -6.433 -5.404 6.853 7 1HE MET 0 1HE MET 0 -4.624 -7.976 7.826 8 2HE MET 0 2HE MET 0 -4.147 -8.673 6.264 9 3HE MET 0 3HE MET 0 -4.095 -6.920 6.507 10 H LEU 1 H LEU 1 -6.556 -3.823 10.004 11 HA LEU 1 HA LEU 1 -8.261 -1.780 8.629 12 1HB LEU 1 1HB LEU 1 -6.075 -0.353 9.626 13 2HB LEU 1 2HB LEU 1 -7.729 -0.366 10.156 14 HG LEU 1 HG LEU 1 -7.127 -2.188 11.812 15 1HD1 LEU 1 1HD1 LEU 1 -4.724 -2.348 12.427 16 2HD1 LEU 1 2HD1 LEU 1 -4.985 -2.941 10.796 17 3HD1 LEU 1 3HD1 LEU 1 -4.286 -1.328 11.041 18 1HD2 LEU 1 1HD2 LEU 1 -7.433 0.154 12.459 19 2HD2 LEU 1 2HD2 LEU 1 -6.133 -0.591 13.392 20 3HD2 LEU 1 3HD2 LEU 1 -5.737 0.508 12.053 21 H MET 2 H MET 2 -6.989 -0.094 7.370 22 HA MET 2 HA MET 2 -5.992 -1.244 5.043 23 1HB MET 2 1HB MET 2 -6.006 1.519 6.229 24 2HB MET 2 2HB MET 2 -4.796 1.267 4.986 25 1HG MET 2 1HG MET 2 -6.358 0.828 3.319 26 2HG MET 2 2HG MET 2 -7.654 0.464 4.455 27 1HE MET 2 1HE MET 2 -9.026 3.730 2.692 28 2HE MET 2 2HE MET 2 -7.966 2.569 1.863 29 3HE MET 2 3HE MET 2 -9.251 1.991 2.954 30 H GLY 3 H GLY 3 -4.120 0.354 7.694 31 1HA GLY 3 1HA GLY 3 -1.579 0.011 6.632 32 2HA GLY 3 2HA GLY 3 -1.933 0.053 8.373 33 H GLU 4 H GLU 4 -3.439 -2.376 8.571 34 HA GLU 4 HA GLU 4 -1.397 -4.398 8.509 35 1HB GLU 4 1HB GLU 4 -4.317 -4.243 9.171 36 2HB GLU 4 2HB GLU 4 -3.771 -5.802 8.593 37 1HG GLU 4 1HG GLU 4 -2.321 -4.399 10.847 38 2HG GLU 4 2HG GLU 4 -3.739 -5.421 11.114 39 H ARG 5 H ARG 5 -4.138 -3.622 6.303 40 HA ARG 5 HA ARG 5 -3.818 -5.862 4.596 41 1HB ARG 5 1HB ARG 5 -5.057 -3.148 4.333 42 2HB ARG 5 2HB ARG 5 -4.439 -3.821 2.827 43 1HG ARG 5 1HG ARG 5 -5.732 -5.976 3.567 44 2HG ARG 5 2HG ARG 5 -6.610 -4.861 4.634 45 1HD ARG 5 1HD ARG 5 -6.307 -4.076 1.747 46 2HD ARG 5 2HD ARG 5 -7.315 -5.467 2.096 47 HE ARG 5 HE ARG 5 -8.908 -4.118 2.750 48 1HH1 ARG 5 2HH2 ARG 5 -6.147 -2.042 2.720 49 2HH1 ARG 5 1HH2 ARG 5 -7.211 -0.645 2.622 50 1HH2 ARG 5 2HH1 ARG 5 -10.170 -2.458 3.291 51 2HH2 ARG 5 1HH1 ARG 5 -9.514 -0.882 3.038 52 H ILE 6 H ILE 6 -2.145 -2.682 4.416 53 HA ILE 6 HA ILE 6 -0.565 -3.498 2.132 54 HB ILE 6 HB ILE 6 -0.225 -1.232 4.136 55 1HG1 ILE 6 1HG1 ILE 6 -0.527 0.120 1.944 56 2HG1 ILE 6 2HG1 ILE 6 -1.000 -1.380 1.163 57 1HG2 ILE 6 1HG2 ILE 6 2.034 -1.901 3.339 58 2HG2 ILE 6 2HG2 ILE 6 1.484 -1.797 1.658 59 3HG2 ILE 6 3HG2 ILE 6 1.570 -0.345 2.686 60 1HD1 ILE 6 1HD1 ILE 6 -3.001 -1.490 2.617 61 2HD1 ILE 6 2HD1 ILE 6 -2.435 -0.027 3.481 62 3HD1 ILE 6 3HD1 ILE 6 -2.901 0.058 1.776 63 H ARG 7 H ARG 7 0.252 -3.306 5.678 64 HA ARG 7 HA ARG 7 2.879 -4.226 5.334 65 1HB ARG 7 1HB ARG 7 1.778 -3.198 7.392 66 2HB ARG 7 2HB ARG 7 1.146 -4.782 7.791 67 1HG ARG 7 1HG ARG 7 4.109 -4.679 7.263 68 2HG ARG 7 2HG ARG 7 3.552 -3.697 8.603 69 1HD ARG 7 1HD ARG 7 4.177 -5.730 9.565 70 2HD ARG 7 2HD ARG 7 2.416 -5.720 9.584 71 HE ARG 7 HE ARG 7 3.255 -7.050 7.232 72 1HH1 ARG 7 2HH2 ARG 7 3.735 -7.498 10.730 73 2HH1 ARG 7 1HH2 ARG 7 3.690 -9.217 10.675 74 1HH2 ARG 7 2HH1 ARG 7 3.006 -9.406 7.192 75 2HH2 ARG 7 1HH1 ARG 7 3.187 -10.292 8.671 76 H ALA 8 H ALA 8 -0.073 -6.113 5.885 77 HA ALA 8 HA ALA 8 1.096 -8.701 6.110 78 1HB ALA 8 1HB ALA 8 -1.646 -7.859 5.050 79 2HB ALA 8 2HB ALA 8 -1.160 -9.509 5.467 80 3HB ALA 8 3HB ALA 8 -1.240 -8.261 6.733 81 H ARG 9 H ARG 9 -0.431 -7.065 3.270 82 HA ARG 9 HA ARG 9 0.100 -9.195 1.503 83 1HB ARG 9 1HB ARG 9 -1.548 -7.218 1.378 84 2HB ARG 9 2HB ARG 9 -0.210 -6.278 0.746 85 1HG ARG 9 1HG ARG 9 -2.002 -8.249 -0.562 86 2HG ARG 9 2HG ARG 9 -1.242 -6.853 -1.173 87 1HD ARG 9 1HD ARG 9 0.913 -8.303 -1.332 88 2HD ARG 9 2HD ARG 9 -0.125 -9.672 -0.901 89 HE ARG 9 HE ARG 9 -0.554 -7.791 -3.170 90 1HH1 ARG 9 2HH2 ARG 9 -0.858 -11.193 -2.011 91 2HH1 ARG 9 1HH2 ARG 9 -1.014 -11.815 -3.609 92 1HH2 ARG 9 2HH1 ARG 9 -0.591 -8.699 -5.203 93 2HH2 ARG 9 1HH1 ARG 9 -1.050 -10.380 -5.450 94 H ARG 10 H ARG 10 1.989 -6.179 2.156 95 HA ARG 10 HA ARG 10 3.989 -6.605 0.188 96 1HB ARG 10 1HB ARG 10 3.649 -4.634 2.151 97 2HB ARG 10 2HB ARG 10 4.845 -5.637 2.899 98 1HG ARG 10 1HG ARG 10 6.347 -5.399 0.998 99 2HG ARG 10 2HG ARG 10 5.119 -4.600 0.037 100 1HD ARG 10 1HD ARG 10 7.007 -3.192 1.256 101 2HD ARG 10 2HD ARG 10 5.373 -2.585 1.100 102 HE ARG 10 HE ARG 10 5.045 -2.601 3.284 103 1HH1 ARG 10 2HH2 ARG 10 7.709 -5.067 2.910 104 2HH1 ARG 10 1HH2 ARG 10 7.943 -5.069 4.623 105 1HH2 ARG 10 2HH1 ARG 10 5.240 -2.961 5.319 106 2HH2 ARG 10 1HH1 ARG 10 6.435 -3.978 6.039 107 H ILE 11 H ILE 11 3.865 -7.841 3.563 108 HA ILE 11 HA ILE 11 6.376 -9.219 3.310 109 HB ILE 11 HB ILE 11 4.034 -9.247 5.245 110 1HG1 ILE 11 1HG1 ILE 11 5.470 -7.268 5.372 111 2HG1 ILE 11 2HG1 ILE 11 5.649 -8.236 6.826 112 1HG2 ILE 11 1HG2 ILE 11 5.369 -10.599 6.857 113 2HG2 ILE 11 2HG2 ILE 11 4.768 -11.494 5.464 114 3HG2 ILE 11 3HG2 ILE 11 6.474 -11.020 5.542 115 1HD1 ILE 11 1HD1 ILE 11 7.806 -9.164 5.866 116 2HD1 ILE 11 2HD1 ILE 11 7.623 -8.024 4.512 117 3HD1 ILE 11 3HD1 ILE 11 7.814 -7.418 6.156 118 H GLN 12 H GLN 12 3.016 -10.179 2.761 119 HA GLN 12 HA GLN 12 3.496 -12.865 2.047 120 1HB GLN 12 1HB GLN 12 1.324 -11.530 2.371 121 2HB GLN 12 2HB GLN 12 1.483 -11.034 0.710 122 1HG GLN 12 1HG GLN 12 1.733 -13.966 0.972 123 2HG GLN 12 2HG GLN 12 0.220 -13.349 1.672 124 1HE2 GLN 12 1HE2 GLN 12 2.068 -13.717 -1.340 125 2HE2 GLN 12 2HE2 GLN 12 0.943 -12.884 -2.392 126 H LEU 13 H LEU 13 4.038 -9.939 0.173 127 HA LEU 13 HA LEU 13 4.941 -11.447 -2.207 128 1HB LEU 13 1HB LEU 13 5.814 -8.638 -1.542 129 2HB LEU 13 2HB LEU 13 5.829 -9.419 -3.114 130 HG LEU 13 HG LEU 13 3.612 -8.274 -1.520 131 1HD1 LEU 13 1HD1 LEU 13 4.485 -7.862 -4.395 132 2HD1 LEU 13 2HD1 LEU 13 3.037 -7.131 -3.706 133 3HD1 LEU 13 3HD1 LEU 13 4.619 -6.712 -3.043 134 1HD2 LEU 13 1HD2 LEU 13 3.330 -10.221 -3.889 135 2HD2 LEU 13 2HD2 LEU 13 2.582 -10.390 -2.284 136 3HD2 LEU 13 3HD2 LEU 13 2.021 -9.152 -3.408 137 H GLY 14 H GLY 14 6.236 -10.513 0.804 138 1HA GLY 14 1HA GLY 14 8.138 -11.261 1.833 139 2HA GLY 14 2HA GLY 14 8.883 -11.676 0.309 140 H LEU 15 H LEU 15 7.649 -8.438 -0.059 141 HA LEU 15 HA LEU 15 10.506 -7.759 0.083 142 1HB LEU 15 1HB LEU 15 10.350 -6.761 -1.811 143 2HB LEU 15 2HB LEU 15 9.053 -7.886 -2.084 144 HG LEU 15 HG LEU 15 8.557 -5.103 -0.981 145 1HD1 LEU 15 1HD1 LEU 15 9.796 -4.818 -3.130 146 2HD1 LEU 15 2HD1 LEU 15 8.756 -6.015 -3.898 147 3HD1 LEU 15 3HD1 LEU 15 8.088 -4.445 -3.408 148 1HD2 LEU 15 1HD2 LEU 15 6.856 -6.953 -2.622 149 2HD2 LEU 15 2HD2 LEU 15 6.729 -6.699 -0.862 150 3HD2 LEU 15 3HD2 LEU 15 6.369 -5.372 -1.977 151 H ASN 16 H ASN 16 11.026 -5.413 0.354 152 HA ASN 16 HA ASN 16 9.849 -4.595 2.959 153 1HB ASN 16 1HB ASN 16 11.737 -3.085 3.216 154 2HB ASN 16 2HB ASN 16 12.214 -4.725 3.013 155 1HD2 ASN 16 1HD2 ASN 16 13.799 -5.133 1.328 156 2HD2 ASN 16 2HD2 ASN 16 14.243 -3.876 0.195 157 H GLN 17 H GLN 17 9.764 -2.155 3.360 158 HA GLN 17 HA GLN 17 7.691 -1.099 1.737 159 1HB GLN 17 1HB GLN 17 9.618 0.306 3.612 160 2HB GLN 17 2HB GLN 17 8.184 1.052 2.910 161 1HG GLN 17 1HG GLN 17 6.724 -0.520 4.083 162 2HG GLN 17 2HG GLN 17 8.121 -1.373 4.740 163 1HE2 GLN 17 1HE2 GLN 17 6.456 -0.562 6.572 164 2HE2 GLN 17 2HE2 GLN 17 7.066 0.859 7.457 165 H ALA 18 H ALA 18 11.247 -0.365 1.664 166 HA ALA 18 HA ALA 18 10.974 1.872 -0.022 167 1HB ALA 18 1HB ALA 18 13.388 0.060 0.390 168 2HB ALA 18 2HB ALA 18 13.405 1.663 -0.358 169 3HB ALA 18 3HB ALA 18 12.984 1.502 1.357 170 H GLU 19 H GLU 19 11.870 -1.586 -0.777 171 HA GLU 19 HA GLU 19 12.008 -1.158 -3.557 172 1HB GLU 19 1HB GLU 19 11.349 -3.569 -1.811 173 2HB GLU 19 2HB GLU 19 11.613 -3.693 -3.555 174 1HG GLU 19 1HG GLU 19 13.743 -2.236 -2.037 175 2HG GLU 19 2HG GLU 19 13.543 -3.931 -1.675 176 H LEU 20 H LEU 20 9.165 -2.089 -1.520 177 HA LEU 20 HA LEU 20 7.370 -2.401 -3.732 178 1HB LEU 20 1HB LEU 20 6.726 -3.020 -1.392 179 2HB LEU 20 2HB LEU 20 6.738 -1.309 -0.960 180 HG LEU 20 HG LEU 20 4.991 -0.985 -2.869 181 1HD1 LEU 20 1HD1 LEU 20 3.622 -2.904 -3.455 182 2HD1 LEU 20 2HD1 LEU 20 5.298 -3.259 -3.903 183 3HD1 LEU 20 3HD1 LEU 20 4.601 -3.976 -2.439 184 1HD2 LEU 20 1HD2 LEU 20 3.993 -2.626 -0.538 185 2HD2 LEU 20 2HD2 LEU 20 4.486 -0.919 -0.414 186 3HD2 LEU 20 3HD2 LEU 20 3.147 -1.387 -1.471 187 H ALA 21 H ALA 21 8.093 0.448 -1.712 188 HA ALA 21 HA ALA 21 6.518 2.339 -2.939 189 1HB ALA 21 1HB ALA 21 9.327 2.830 -1.843 190 2HB ALA 21 2HB ALA 21 7.996 3.971 -1.997 191 3HB ALA 21 3HB ALA 21 7.896 2.637 -0.840 192 H GLN 22 H GLN 22 9.945 1.617 -3.695 193 HA GLN 22 HA GLN 22 10.247 3.535 -5.711 194 1HB GLN 22 1HB GLN 22 11.979 2.422 -4.338 195 2HB GLN 22 2HB GLN 22 11.752 0.915 -5.232 196 1HG GLN 22 1HG GLN 22 12.773 1.801 -7.164 197 2HG GLN 22 2HG GLN 22 12.444 3.467 -6.700 198 1HE2 GLN 22 1HE2 GLN 22 14.096 4.592 -5.820 199 2HE2 GLN 22 2HE2 GLN 22 15.527 3.950 -5.048 200 H LYS 23 H LYS 23 9.257 0.046 -5.943 201 HA LYS 23 HA LYS 23 9.137 0.266 -8.839 202 1HB LYS 23 1HB LYS 23 9.523 -1.849 -8.646 203 2HB LYS 23 2HB LYS 23 9.210 -1.862 -6.943 204 1HG LYS 23 1HG LYS 23 6.984 -2.220 -8.977 205 2HG LYS 23 2HG LYS 23 7.981 -3.526 -8.351 206 1HD LYS 23 1HD LYS 23 7.291 -3.057 -6.049 207 2HD LYS 23 2HD LYS 23 6.346 -1.666 -6.587 208 1HE LYS 23 1HE LYS 23 4.856 -3.534 -6.222 209 2HE LYS 23 2HE LYS 23 4.872 -3.111 -7.920 210 1HZ LYS 23 1HZ LYS 23 6.205 -5.020 -8.406 211 2HZ LYS 23 2HZ LYS 23 6.551 -5.307 -6.848 212 3HZ LYS 23 3HZ LYS 23 5.016 -5.541 -7.415 213 H VAL 24 H VAL 24 6.850 1.131 -6.304 214 HA VAL 24 HA VAL 24 4.590 1.128 -8.155 215 HB VAL 24 HB VAL 24 4.976 2.678 -5.576 216 1HG1 VAL 24 1HG1 VAL 24 2.499 2.668 -5.525 217 2HG1 VAL 24 2HG1 VAL 24 3.102 3.419 -7.009 218 3HG1 VAL 24 3HG1 VAL 24 2.500 1.756 -7.067 219 1HG2 VAL 24 1HG2 VAL 24 4.713 -0.178 -5.690 220 2HG2 VAL 24 2HG2 VAL 24 4.721 0.908 -4.287 221 3HG2 VAL 24 3HG2 VAL 24 3.208 0.478 -5.053 222 H GLY 25 H GLY 25 6.980 3.439 -6.812 223 1HA GLY 25 1HA GLY 25 7.752 5.241 -8.365 224 2HA GLY 25 2HA GLY 25 6.044 5.564 -8.680 225 H VAL 26 H VAL 26 6.380 4.697 -5.365 226 HA VAL 26 HA VAL 26 6.150 7.516 -4.611 227 HB VAL 26 HB VAL 26 4.712 6.744 -2.906 228 1HG1 VAL 26 1HG1 VAL 26 3.938 5.326 -5.487 229 2HG1 VAL 26 2HG1 VAL 26 2.867 5.771 -4.171 230 3HG1 VAL 26 3HG1 VAL 26 3.671 7.041 -5.107 231 1HG2 VAL 26 1HG2 VAL 26 5.673 4.630 -2.193 232 2HG2 VAL 26 2HG2 VAL 26 3.949 4.512 -2.498 233 3HG2 VAL 26 3HG2 VAL 26 5.087 3.863 -3.694 234 H ASP 27 H ASP 27 6.640 7.688 -2.032 235 HA ASP 27 HA ASP 27 9.442 7.129 -1.669 236 1HB ASP 27 1HB ASP 27 8.486 8.080 0.706 237 2HB ASP 27 2HB ASP 27 9.087 9.076 -0.589 238 H GLN 28 H GLN 28 10.249 5.901 0.207 239 HA GLN 28 HA GLN 28 8.839 3.551 1.050 240 1HB GLN 28 1HB GLN 28 11.324 3.947 1.341 241 2HB GLN 28 2HB GLN 28 10.933 5.104 2.632 242 1HG GLN 28 1HG GLN 28 9.524 3.126 3.660 243 2HG GLN 28 2HG GLN 28 10.412 2.136 2.523 244 1HE2 GLN 28 1HE2 GLN 28 10.633 4.181 5.434 245 2HE2 GLN 28 2HE2 GLN 28 12.134 3.431 5.967 246 H GLN 29 H GLN 29 9.183 6.816 2.435 247 HA GLN 29 HA GLN 29 7.684 6.579 4.732 248 1HB GLN 29 1HB GLN 29 9.113 8.481 4.024 249 2HB GLN 29 2HB GLN 29 7.864 8.997 2.905 250 1HG GLN 29 1HG GLN 29 6.794 8.616 5.632 251 2HG GLN 29 2HG GLN 29 8.192 9.691 5.630 252 1HE2 GLN 29 1HE2 GLN 29 8.161 11.510 3.946 253 2HE2 GLN 29 2HE2 GLN 29 6.629 12.172 3.449 254 H ALA 30 H ALA 30 6.460 7.102 1.383 255 HA ALA 30 HA ALA 30 3.723 7.468 2.123 256 1HB ALA 30 1HB ALA 30 4.960 6.434 -0.452 257 2HB ALA 30 2HB ALA 30 3.258 6.792 -0.221 258 3HB ALA 30 3HB ALA 30 4.433 8.095 -0.079 259 H ILE 31 H ILE 31 5.673 4.489 1.779 260 HA ILE 31 HA ILE 31 3.302 2.776 2.006 261 HB ILE 31 HB ILE 31 6.264 2.123 2.348 262 1HG1 ILE 31 1HG1 ILE 31 6.050 2.962 0.155 263 2HG1 ILE 31 2HG1 ILE 31 6.105 1.215 0.030 264 1HG2 ILE 31 1HG2 ILE 31 3.844 0.336 1.815 265 2HG2 ILE 31 2HG2 ILE 31 5.541 -0.197 1.860 266 3HG2 ILE 31 3HG2 ILE 31 4.761 0.430 3.317 267 1HD1 ILE 31 1HD1 ILE 31 3.701 3.049 -0.349 268 2HD1 ILE 31 2HD1 ILE 31 4.513 2.050 -1.560 269 3HD1 ILE 31 3HD1 ILE 31 3.578 1.278 -0.265 270 H GLU 32 H GLU 32 5.901 4.042 4.142 271 HA GLU 32 HA GLU 32 5.202 2.676 6.510 272 1HB GLU 32 1HB GLU 32 7.283 4.057 5.969 273 2HB GLU 32 2HB GLU 32 6.323 5.497 6.288 274 1HG GLU 32 1HG GLU 32 7.276 5.247 8.339 275 2HG GLU 32 2HG GLU 32 5.826 4.300 8.621 276 H GLN 33 H GLN 33 4.142 5.925 5.371 277 HA GLN 33 HA GLN 33 2.400 6.446 7.545 278 1HB GLN 33 1HB GLN 33 1.545 8.264 6.329 279 2HB GLN 33 2HB GLN 33 3.225 8.124 5.816 280 1HG GLN 33 1HG GLN 33 2.450 6.880 3.819 281 2HG GLN 33 2HG GLN 33 0.777 7.097 4.308 282 1HE2 GLN 33 1HE2 GLN 33 3.700 9.276 3.778 283 2HE2 GLN 33 2HE2 GLN 33 2.828 10.283 2.667 284 H LEU 34 H LEU 34 1.906 4.565 4.507 285 HA LEU 34 HA LEU 34 -0.910 4.276 4.868 286 1HB LEU 34 1HB LEU 34 1.246 3.225 3.126 287 2HB LEU 34 2HB LEU 34 0.033 2.027 3.476 288 HG LEU 34 HG LEU 34 -0.617 4.841 2.519 289 1HD1 LEU 34 1HD1 LEU 34 -0.354 2.246 0.907 290 2HD1 LEU 34 2HD1 LEU 34 -0.922 3.805 0.274 291 3HD1 LEU 34 3HD1 LEU 34 0.757 3.627 0.837 292 1HD2 LEU 34 1HD2 LEU 34 -2.758 3.856 1.795 293 2HD2 LEU 34 2HD2 LEU 34 -2.287 2.292 2.486 294 3HD2 LEU 34 3HD2 LEU 34 -2.550 3.693 3.546 295 H GLU 35 H GLU 35 1.917 2.362 5.833 296 HA GLU 35 HA GLU 35 0.467 0.193 6.996 297 1HB GLU 35 1HB GLU 35 3.346 1.105 7.211 298 2HB GLU 35 2HB GLU 35 2.712 -0.291 8.114 299 1HG GLU 35 1HG GLU 35 1.876 -1.309 6.038 300 2HG GLU 35 2HG GLU 35 2.446 0.054 5.100 301 H ASN 36 H ASN 36 1.472 3.358 8.404 302 HA ASN 36 HA ASN 36 0.413 2.514 10.979 303 1HB ASN 36 1HB ASN 36 1.267 4.421 11.842 304 2HB ASN 36 2HB ASN 36 2.456 3.954 10.652 305 1HD2 ASN 36 1HD2 ASN 36 3.399 5.914 10.273 306 2HD2 ASN 36 2HD2 ASN 36 2.557 7.361 9.757 307 H GLY 37 H GLY 37 -1.000 3.460 8.096 308 1HA GLY 37 1HA GLY 37 -3.301 3.519 7.803 309 2HA GLY 37 2HA GLY 37 -3.534 3.932 9.502 310 H LYS 38 H LYS 38 -1.148 6.015 8.094 311 HA LYS 38 HA LYS 38 -2.857 8.244 8.606 312 1HB LYS 38 1HB LYS 38 -0.037 7.705 7.905 313 2HB LYS 38 2HB LYS 38 -0.612 9.149 7.152 314 1HG LYS 38 1HG LYS 38 -1.239 8.820 10.084 315 2HG LYS 38 2HG LYS 38 0.442 9.028 9.639 316 1HD LYS 38 1HD LYS 38 -0.605 11.172 10.204 317 2HD LYS 38 2HD LYS 38 0.032 11.134 8.549 318 1HE LYS 38 1HE LYS 38 -2.250 10.735 7.677 319 2HE LYS 38 2HE LYS 38 -2.896 10.741 9.326 320 1HZ LYS 38 1HZ LYS 38 -2.290 13.045 9.510 321 2HZ LYS 38 2HZ LYS 38 -1.509 13.045 8.078 322 3HZ LYS 38 3HZ LYS 38 -3.160 12.841 8.133 323 H ALA 39 H ALA 39 -2.077 6.515 5.508 324 HA ALA 39 HA ALA 39 -3.463 8.672 4.037 325 1HB ALA 39 1HB ALA 39 -2.398 6.048 2.996 326 2HB ALA 39 2HB ALA 39 -2.844 7.501 2.081 327 3HB ALA 39 3HB ALA 39 -1.418 7.524 3.124 328 H LYS 40 H LYS 40 -5.638 8.679 4.356 329 HA LYS 40 HA LYS 40 -7.209 6.196 4.523 330 1HB LYS 40 1HB LYS 40 -7.770 8.414 5.632 331 2HB LYS 40 2HB LYS 40 -8.228 9.020 4.051 332 1HG LYS 40 1HG LYS 40 -9.475 6.597 5.446 333 2HG LYS 40 2HG LYS 40 -10.109 8.244 5.501 334 1HD LYS 40 1HD LYS 40 -10.170 8.153 2.946 335 2HD LYS 40 2HD LYS 40 -9.973 6.400 3.095 336 1HE LYS 40 1HE LYS 40 -12.252 8.137 4.149 337 2HE LYS 40 2HE LYS 40 -12.307 7.013 2.790 338 1HZ LYS 40 1HZ LYS 40 -13.232 5.832 4.460 339 2HZ LYS 40 2HZ LYS 40 -11.684 5.280 4.586 340 3HZ LYS 40 3HZ LYS 40 -12.227 6.385 5.649 341 H ARG 41 H ARG 41 -7.038 8.892 1.967 342 HA ARG 41 HA ARG 41 -6.830 6.728 -0.015 343 1HB ARG 41 1HB ARG 41 -8.058 9.093 -1.086 344 2HB ARG 41 2HB ARG 41 -8.542 7.414 -1.226 345 1HG ARG 41 1HG ARG 41 -9.976 7.626 0.681 346 2HG ARG 41 2HG ARG 41 -9.239 9.167 1.165 347 1HD ARG 41 1HD ARG 41 -11.450 9.475 0.213 348 2HD ARG 41 2HD ARG 41 -10.186 10.349 -0.667 349 HE ARG 41 HE ARG 41 -10.330 8.095 -2.135 350 1HH1 ARG 41 2HH2 ARG 41 -13.005 10.208 -1.003 351 2HH1 ARG 41 1HH2 ARG 41 -14.063 9.689 -2.267 352 1HH2 ARG 41 2HH1 ARG 41 -11.567 7.723 -3.891 353 2HH2 ARG 41 1HH1 ARG 41 -13.151 8.416 -4.078 354 HA PRO 42 HA PRO 42 -3.314 9.652 -0.667 355 1HB PRO 42 1HB PRO 42 -1.591 7.860 -1.795 356 2HB PRO 42 2HB PRO 42 -1.777 8.048 -0.028 357 1HG PRO 42 1HG PRO 42 -2.937 5.933 -1.840 358 2HG PRO 42 2HG PRO 42 -2.263 5.746 -0.193 359 1HD PRO 42 1HD PRO 42 -4.981 5.931 -0.762 360 2HD PRO 42 2HD PRO 42 -4.271 6.397 0.803 361 H ARG 43 H ARG 43 -2.395 10.390 -2.758 362 HA ARG 43 HA ARG 43 -4.164 10.304 -4.987 363 1HB ARG 43 1HB ARG 43 -2.500 11.439 -6.239 364 2HB ARG 43 2HB ARG 43 -2.427 12.032 -4.594 365 1HG ARG 43 1HG ARG 43 -0.195 11.901 -4.986 366 2HG ARG 43 2HG ARG 43 -0.429 10.294 -4.350 367 1HD ARG 43 1HD ARG 43 0.941 9.996 -6.249 368 2HD ARG 43 2HD ARG 43 -0.657 9.541 -6.859 369 HE ARG 43 HE ARG 43 -0.225 12.316 -7.269 370 1HH1 ARG 43 2HH2 ARG 43 0.655 9.137 -8.698 371 2HH1 ARG 43 1HH2 ARG 43 1.260 9.809 -10.142 372 1HH2 ARG 43 2HH1 ARG 43 0.671 13.214 -9.182 373 2HH2 ARG 43 1HH1 ARG 43 1.072 12.155 -10.506 374 H PHE 44 H PHE 44 -1.273 8.424 -4.219 375 HA PHE 44 HA PHE 44 -1.209 7.153 -6.765 376 1HB PHE 44 1HB PHE 44 0.807 6.067 -5.824 377 2HB PHE 44 2HB PHE 44 0.824 7.791 -5.549 378 HD1 PHE 44 1HD PHE 44 1.121 8.641 -3.276 379 HD2 PHE 44 2HD PHE 44 0.023 4.530 -3.954 380 HE1 PHE 44 1HE PHE 44 1.386 8.154 -0.863 381 HE2 PHE 44 2HE PHE 44 0.308 4.049 -1.576 382 HZ PHE 44 HZ PHE 44 0.988 5.804 -0.006 383 H LEU 45 H LEU 45 -3.504 6.462 -4.540 384 HA LEU 45 HA LEU 45 -3.140 3.912 -3.725 385 1HB LEU 45 1HB LEU 45 -4.877 5.624 -3.078 386 2HB LEU 45 2HB LEU 45 -5.712 5.295 -4.595 387 HG LEU 45 HG LEU 45 -6.062 3.002 -3.919 388 1HD1 LEU 45 1HD1 LEU 45 -5.686 2.336 -1.505 389 2HD1 LEU 45 2HD1 LEU 45 -4.197 2.518 -2.436 390 3HD1 LEU 45 3HD1 LEU 45 -4.704 3.786 -1.297 391 1HD2 LEU 45 1HD2 LEU 45 -7.759 4.714 -3.362 392 2HD2 LEU 45 2HD2 LEU 45 -7.736 3.455 -2.117 393 3HD2 LEU 45 3HD2 LEU 45 -6.961 5.020 -1.807 394 HA PRO 46 HA PRO 46 -4.935 1.951 -7.639 395 1HB PRO 46 1HB PRO 46 -5.022 3.191 -10.044 396 2HB PRO 46 2HB PRO 46 -6.272 3.472 -8.806 397 1HG PRO 46 1HG PRO 46 -3.866 5.194 -9.427 398 2HG PRO 46 2HG PRO 46 -5.575 5.697 -9.216 399 1HD PRO 46 1HD PRO 46 -3.718 5.821 -7.235 400 2HD PRO 46 2HD PRO 46 -5.433 5.507 -6.883 401 H GLU 47 H GLU 47 -2.049 3.990 -7.803 402 HA GLU 47 HA GLU 47 -0.619 2.342 -9.707 403 1HB GLU 47 1HB GLU 47 0.415 4.279 -7.542 404 2HB GLU 47 2HB GLU 47 1.278 3.699 -8.931 405 1HG GLU 47 1HG GLU 47 -0.166 4.996 -10.427 406 2HG GLU 47 2HG GLU 47 -1.215 5.452 -9.087 407 H LEU 48 H LEU 48 -0.728 2.854 -6.162 408 HA LEU 48 HA LEU 48 1.109 0.762 -5.522 409 1HB LEU 48 1HB LEU 48 0.548 2.487 -3.941 410 2HB LEU 48 2HB LEU 48 -1.114 1.935 -3.801 411 HG LEU 48 HG LEU 48 0.947 -0.194 -3.318 412 1HD1 LEU 48 1HD1 LEU 48 0.715 1.995 -1.254 413 2HD1 LEU 48 2HD1 LEU 48 1.650 0.504 -1.159 414 3HD1 LEU 48 3HD1 LEU 48 2.109 1.753 -2.334 415 1HD2 LEU 48 1HD2 LEU 48 -1.423 -0.583 -2.828 416 2HD2 LEU 48 2HD2 LEU 48 -0.488 -0.628 -1.325 417 3HD2 LEU 48 3HD2 LEU 48 -1.455 0.806 -1.714 418 H ALA 49 H ALA 49 -2.427 0.791 -5.678 419 HA ALA 49 HA ALA 49 -2.682 -1.943 -4.904 420 1HB ALA 49 1HB ALA 49 -4.592 -0.239 -5.075 421 2HB ALA 49 2HB ALA 49 -4.555 -0.461 -6.836 422 3HB ALA 49 3HB ALA 49 -4.967 -1.813 -5.761 423 H ARG 50 H ARG 50 -2.315 -0.608 -8.249 424 HA ARG 50 HA ARG 50 -2.298 -3.177 -9.526 425 1HB ARG 50 1HB ARG 50 -1.281 -0.399 -10.160 426 2HB ARG 50 2HB ARG 50 -0.692 -1.727 -11.130 427 1HG ARG 50 1HG ARG 50 -3.674 -1.618 -10.665 428 2HG ARG 50 2HG ARG 50 -2.982 -0.382 -11.691 429 1HD ARG 50 1HD ARG 50 -2.502 -3.342 -12.141 430 2HD ARG 50 2HD ARG 50 -3.783 -2.406 -12.930 431 HE ARG 50 HE ARG 50 -2.143 -0.961 -13.923 432 1HH1 ARG 50 2HH2 ARG 50 -0.850 -4.168 -12.939 433 2HH1 ARG 50 1HH2 ARG 50 0.764 -3.759 -13.450 434 1HH2 ARG 50 2HH1 ARG 50 -0.144 -0.671 -14.917 435 2HH2 ARG 50 1HH1 ARG 50 1.089 -1.882 -14.886 436 H ALA 51 H ALA 51 0.383 -1.212 -8.172 437 HA ALA 51 HA ALA 51 2.463 -2.977 -8.896 438 1HB ALA 51 1HB ALA 51 2.228 -0.996 -6.587 439 2HB ALA 51 2HB ALA 51 3.743 -1.649 -7.200 440 3HB ALA 51 3HB ALA 51 2.765 -0.616 -8.238 441 H LEU 52 H LEU 52 0.350 -2.919 -6.046 442 HA LEU 52 HA LEU 52 1.691 -5.028 -4.584 443 1HB LEU 52 1HB LEU 52 0.416 -3.040 -3.677 444 2HB LEU 52 2HB LEU 52 -1.053 -3.931 -4.099 445 HG LEU 52 HG LEU 52 -0.202 -5.766 -2.607 446 1HD1 LEU 52 1HD1 LEU 52 1.568 -5.247 -0.923 447 2HD1 LEU 52 2HD1 LEU 52 2.247 -5.308 -2.544 448 3HD1 LEU 52 3HD1 LEU 52 1.935 -3.738 -1.783 449 1HD2 LEU 52 1HD2 LEU 52 -0.678 -4.496 -0.509 450 2HD2 LEU 52 2HD2 LEU 52 -0.417 -2.982 -1.405 451 3HD2 LEU 52 3HD2 LEU 52 -1.774 -4.053 -1.837 452 H GLY 53 H GLY 53 -0.847 -4.867 -7.021 453 1HA GLY 53 1HA GLY 53 -1.617 -6.622 -8.294 454 2HA GLY 53 2HA GLY 53 -0.947 -7.792 -7.163 455 H VAL 54 H VAL 54 -3.166 -5.058 -6.406 456 HA VAL 54 HA VAL 54 -5.421 -6.904 -6.005 457 HB VAL 54 HB VAL 54 -5.913 -6.113 -3.773 458 1HG1 VAL 54 1HG1 VAL 54 -4.162 -7.123 -2.450 459 2HG1 VAL 54 2HG1 VAL 54 -4.333 -8.051 -3.942 460 3HG1 VAL 54 3HG1 VAL 54 -2.974 -6.923 -3.753 461 1HG2 VAL 54 1HG2 VAL 54 -3.502 -4.311 -4.097 462 2HG2 VAL 54 2HG2 VAL 54 -5.188 -3.878 -3.711 463 3HG2 VAL 54 3HG2 VAL 54 -4.188 -4.721 -2.521 464 H ALA 55 H ALA 55 -7.465 -5.483 -5.569 465 HA ALA 55 HA ALA 55 -7.483 -3.263 -7.478 466 1HB ALA 55 1HB ALA 55 -9.913 -3.242 -6.921 467 2HB ALA 55 2HB ALA 55 -9.339 -4.849 -7.354 468 3HB ALA 55 3HB ALA 55 -9.626 -4.448 -5.650 469 H VAL 56 H VAL 56 -8.201 -1.074 -6.934 470 HA VAL 56 HA VAL 56 -7.536 0.063 -4.336 471 HB VAL 56 HB VAL 56 -9.255 0.970 -6.709 472 1HG1 VAL 56 1HG1 VAL 56 -9.048 3.256 -5.698 473 2HG1 VAL 56 2HG1 VAL 56 -10.076 2.143 -4.793 474 3HG1 VAL 56 3HG1 VAL 56 -8.431 2.472 -4.217 475 1HG2 VAL 56 1HG2 VAL 56 -7.347 2.519 -7.104 476 2HG2 VAL 56 2HG2 VAL 56 -6.431 1.671 -5.838 477 3HG2 VAL 56 3HG2 VAL 56 -6.918 0.819 -7.322 478 H ASP 57 H ASP 57 -10.457 -1.385 -5.908 479 HA ASP 57 HA ASP 57 -12.260 -0.874 -3.846 480 1HB ASP 57 1HB ASP 57 -12.663 -1.966 -6.117 481 2HB ASP 57 2HB ASP 57 -12.093 -3.485 -5.422 482 H TRP 58 H TRP 58 -9.842 -3.500 -4.001 483 HA TRP 58 HA TRP 58 -10.649 -4.808 -1.554 484 1HB TRP 58 1HB TRP 58 -9.199 -5.797 -3.369 485 2HB TRP 58 2HB TRP 58 -7.961 -4.642 -2.893 486 HD1 TRP 58 HD TRP 58 -9.616 -7.798 -1.765 487 HE1 TRP 58 1HE TRP 58 -8.127 -9.068 -0.123 488 HE3 TRP 58 3HE TRP 58 -6.015 -4.301 -1.209 489 HZ2 TRP 58 2HZ TRP 58 -5.629 -8.574 1.303 490 HZ3 TRP 58 3HZ TRP 58 -3.997 -4.743 0.212 491 HH2 TRP 58 HH TRP 58 -3.826 -6.873 1.487 492 H LEU 59 H LEU 59 -8.629 -2.041 -2.334 493 HA LEU 59 HA LEU 59 -7.505 -1.882 0.333 494 1HB LEU 59 1HB LEU 59 -7.158 -0.451 -2.301 495 2HB LEU 59 2HB LEU 59 -6.755 0.420 -0.870 496 HG LEU 59 HG LEU 59 -5.537 -2.184 -1.856 497 1HD1 LEU 59 1HD1 LEU 59 -4.191 0.453 -1.207 498 2HD1 LEU 59 2HD1 LEU 59 -3.533 -0.939 -2.094 499 3HD1 LEU 59 3HD1 LEU 59 -4.817 0.045 -2.823 500 1HD2 LEU 59 1HD2 LEU 59 -3.896 -1.956 0.071 501 2HD2 LEU 59 2HD2 LEU 59 -5.018 -0.783 0.803 502 3HD2 LEU 59 3HD2 LEU 59 -5.502 -2.481 0.538 503 H LEU 60 H LEU 60 -10.017 -0.153 -1.435 504 HA LEU 60 HA LEU 60 -10.626 1.688 0.735 505 1HB LEU 60 1HB LEU 60 -12.151 0.613 -1.671 506 2HB LEU 60 2HB LEU 60 -12.884 1.703 -0.513 507 HG LEU 60 HG LEU 60 -10.341 2.327 -2.098 508 1HD1 LEU 60 1HD1 LEU 60 -11.752 3.741 -3.516 509 2HD1 LEU 60 2HD1 LEU 60 -12.301 2.059 -3.575 510 3HD1 LEU 60 3HD1 LEU 60 -13.197 3.242 -2.604 511 1HD2 LEU 60 1HD2 LEU 60 -10.444 3.696 -0.064 512 2HD2 LEU 60 2HD2 LEU 60 -10.789 4.690 -1.477 513 3HD2 LEU 60 3HD2 LEU 60 -12.122 4.155 -0.431 514 H ASN 61 H ASN 61 -12.200 -1.346 -0.466 515 HA ASN 61 HA ASN 61 -13.759 -1.536 1.991 516 1HB ASN 61 1HB ASN 61 -13.786 -3.424 -0.414 517 2HB ASN 61 2HB ASN 61 -14.970 -3.256 0.864 518 1HD2 ASN 61 1HD2 ASN 61 -13.816 -1.955 -2.105 519 2HD2 ASN 61 2HD2 ASN 61 -14.996 -0.689 -2.358 520 H GLY 62 H GLY 62 -11.807 -3.950 0.122 521 1HA GLY 62 1HA GLY 62 -10.257 -5.483 1.302 522 2HA GLY 62 2HA GLY 62 -11.273 -5.273 2.711 523 H ALA 63 H ALA 63 -11.248 -6.542 -0.568 524 HA ALA 63 HA ALA 63 -12.202 -8.375 -1.541 525 1HB ALA 63 1HB ALA 63 -10.663 -9.444 0.107 526 2HB ALA 63 2HB ALA 63 -11.998 -9.524 1.276 527 3HB ALA 63 3HB ALA 63 -12.089 -10.435 -0.243 Start of MODEL 20 1 1H MET 0 H MET 0 -9.844 -6.066 8.708 2 HA MET 0 HA MET 0 -7.944 -5.430 10.794 3 1HB MET 0 1HB MET 0 -5.944 -5.940 9.573 4 2HB MET 0 2HB MET 0 -6.908 -7.395 9.702 5 1HG MET 0 1HG MET 0 -7.817 -6.706 7.330 6 2HG MET 0 2HG MET 0 -6.441 -5.608 7.299 7 1HE MET 0 1HE MET 0 -3.763 -6.736 7.625 8 2HE MET 0 2HE MET 0 -4.413 -7.650 9.002 9 3HE MET 0 3HE MET 0 -3.554 -8.488 7.706 10 H LEU 1 H LEU 1 -6.671 -3.569 10.207 11 HA LEU 1 HA LEU 1 -8.282 -1.608 8.765 12 1HB LEU 1 1HB LEU 1 -5.376 -1.207 9.473 13 2HB LEU 1 2HB LEU 1 -6.572 0.006 9.178 14 HG LEU 1 HG LEU 1 -6.593 -1.769 11.629 15 1HD1 LEU 1 1HD1 LEU 1 -5.888 1.172 11.218 16 2HD1 LEU 1 2HD1 LEU 1 -6.052 0.357 12.785 17 3HD1 LEU 1 3HD1 LEU 1 -4.772 -0.136 11.673 18 1HD2 LEU 1 1HD2 LEU 1 -8.409 0.500 10.705 19 2HD2 LEU 1 2HD2 LEU 1 -8.859 -1.185 11.002 20 3HD2 LEU 1 3HD2 LEU 1 -8.371 -0.174 12.362 21 H MET 2 H MET 2 -7.116 -0.144 7.251 22 HA MET 2 HA MET 2 -6.387 -1.439 4.730 23 1HB MET 2 1HB MET 2 -6.685 1.361 5.816 24 2HB MET 2 2HB MET 2 -5.569 1.178 4.466 25 1HG MET 2 1HG MET 2 -7.200 0.686 2.963 26 2HG MET 2 2HG MET 2 -8.171 -0.195 4.132 27 1HE MET 2 1HE MET 2 -6.867 3.543 4.114 28 2HE MET 2 2HE MET 2 -7.458 3.229 2.465 29 3HE MET 2 3HE MET 2 -8.329 4.364 3.518 30 H GLY 3 H GLY 3 -4.553 0.577 7.150 31 1HA GLY 3 1HA GLY 3 -2.049 0.239 5.989 32 2HA GLY 3 2HA GLY 3 -2.355 0.551 7.700 33 H GLU 4 H GLU 4 -3.652 -1.888 8.399 34 HA GLU 4 HA GLU 4 -1.501 -3.753 8.695 35 1HB GLU 4 1HB GLU 4 -4.523 -4.220 8.831 36 2HB GLU 4 2HB GLU 4 -3.282 -5.357 9.352 37 1HG GLU 4 1HG GLU 4 -2.560 -3.746 11.099 38 2HG GLU 4 2HG GLU 4 -3.901 -2.681 10.635 39 H ARG 5 H ARG 5 -4.408 -3.804 6.547 40 HA ARG 5 HA ARG 5 -3.843 -6.172 5.169 41 1HB ARG 5 1HB ARG 5 -5.967 -5.185 5.155 42 2HB ARG 5 2HB ARG 5 -5.386 -3.623 4.588 43 1HG ARG 5 1HG ARG 5 -5.067 -4.366 2.399 44 2HG ARG 5 2HG ARG 5 -5.202 -6.073 2.881 45 1HD ARG 5 1HD ARG 5 -7.159 -5.146 1.659 46 2HD ARG 5 2HD ARG 5 -7.542 -5.929 3.192 47 HE ARG 5 HE ARG 5 -7.869 -3.133 2.433 48 1HH1 ARG 5 2HH2 ARG 5 -8.014 -5.387 5.180 49 2HH1 ARG 5 1HH2 ARG 5 -8.839 -4.278 6.215 50 1HH2 ARG 5 2HH1 ARG 5 -9.188 -1.806 3.679 51 2HH2 ARG 5 1HH1 ARG 5 -9.569 -2.172 5.310 52 H ILE 6 H ILE 6 -2.702 -2.870 4.546 53 HA ILE 6 HA ILE 6 -1.376 -3.461 2.077 54 HB ILE 6 HB ILE 6 -1.086 -1.289 4.185 55 1HG1 ILE 6 1HG1 ILE 6 -2.047 -1.036 1.296 56 2HG1 ILE 6 2HG1 ILE 6 -3.154 -1.510 2.576 57 1HG2 ILE 6 1HG2 ILE 6 1.057 -1.445 3.183 58 2HG2 ILE 6 2HG2 ILE 6 0.377 -1.544 1.527 59 3HG2 ILE 6 3HG2 ILE 6 0.304 -0.032 2.480 60 1HD1 ILE 6 1HD1 ILE 6 -3.343 0.870 2.175 61 2HD1 ILE 6 2HD1 ILE 6 -2.677 0.598 3.796 62 3HD1 ILE 6 3HD1 ILE 6 -1.608 1.089 2.469 63 H ARG 7 H ARG 7 -0.187 -3.371 5.521 64 HA ARG 7 HA ARG 7 2.492 -4.217 4.876 65 1HB ARG 7 1HB ARG 7 1.658 -3.376 7.167 66 2HB ARG 7 2HB ARG 7 0.968 -4.979 7.409 67 1HG ARG 7 1HG ARG 7 3.384 -5.874 6.878 68 2HG ARG 7 2HG ARG 7 3.894 -4.198 7.037 69 1HD ARG 7 1HD ARG 7 4.331 -5.303 9.097 70 2HD ARG 7 2HD ARG 7 2.977 -4.209 9.386 71 HE ARG 7 HE ARG 7 1.803 -6.658 8.731 72 1HH1 ARG 7 2HH2 ARG 7 3.853 -5.419 11.407 73 2HH1 ARG 7 1HH2 ARG 7 3.339 -6.630 12.495 74 1HH2 ARG 7 2HH1 ARG 7 1.193 -8.258 10.168 75 2HH2 ARG 7 1HH1 ARG 7 1.846 -8.318 11.786 76 H ALA 8 H ALA 8 -0.457 -6.071 5.651 77 HA ALA 8 HA ALA 8 0.599 -8.644 5.627 78 1HB ALA 8 1HB ALA 8 -1.691 -8.076 6.353 79 2HB ALA 8 2HB ALA 8 -2.167 -7.765 4.671 80 3HB ALA 8 3HB ALA 8 -1.676 -9.388 5.150 81 H ARG 9 H ARG 9 -0.872 -6.869 2.857 82 HA ARG 9 HA ARG 9 -0.355 -8.924 0.972 83 1HB ARG 9 1HB ARG 9 -1.826 -6.679 0.919 84 2HB ARG 9 2HB ARG 9 -0.406 -6.035 0.139 85 1HG ARG 9 1HG ARG 9 -2.183 -8.333 -0.806 86 2HG ARG 9 2HG ARG 9 -1.984 -6.747 -1.527 87 1HD ARG 9 1HD ARG 9 0.515 -7.447 -1.873 88 2HD ARG 9 2HD ARG 9 -0.046 -9.069 -1.427 89 HE ARG 9 HE ARG 9 -1.361 -7.543 -3.587 90 1HH1 ARG 9 2HH2 ARG 9 1.061 -9.985 -2.820 91 2HH1 ARG 9 1HH2 ARG 9 0.813 -10.913 -4.266 92 1HH2 ARG 9 2HH1 ARG 9 -1.982 -9.093 -5.411 93 2HH2 ARG 9 1HH1 ARG 9 -1.016 -10.492 -5.627 94 H ARG 10 H ARG 10 1.638 -6.055 1.935 95 HA ARG 10 HA ARG 10 3.748 -6.444 0.106 96 1HB ARG 10 1HB ARG 10 3.307 -4.557 1.716 97 2HB ARG 10 2HB ARG 10 3.968 -5.518 3.010 98 1HG ARG 10 1HG ARG 10 6.096 -5.265 2.419 99 2HG ARG 10 2HG ARG 10 5.786 -5.444 0.687 100 1HD ARG 10 1HD ARG 10 6.718 -3.234 1.296 101 2HD ARG 10 2HD ARG 10 5.162 -3.135 0.485 102 HE ARG 10 HE ARG 10 5.615 -2.873 3.351 103 1HH1 ARG 10 2HH2 ARG 10 3.496 -2.067 0.680 104 2HH1 ARG 10 1HH2 ARG 10 2.209 -1.514 1.710 105 1HH2 ARG 10 2HH1 ARG 10 4.112 -1.953 4.646 106 2HH2 ARG 10 1HH1 ARG 10 2.594 -1.408 4.074 107 H ILE 11 H ILE 11 3.422 -7.705 3.390 108 HA ILE 11 HA ILE 11 5.655 -9.480 3.364 109 HB ILE 11 HB ILE 11 2.955 -9.658 4.796 110 1HG1 ILE 11 1HG1 ILE 11 4.359 -7.731 5.491 111 2HG1 ILE 11 2HG1 ILE 11 3.998 -8.875 6.772 112 1HG2 ILE 11 1HG2 ILE 11 3.670 -11.910 4.832 113 2HG2 ILE 11 2HG2 ILE 11 5.346 -11.472 5.189 114 3HG2 ILE 11 3HG2 ILE 11 4.078 -11.241 6.411 115 1HD1 ILE 11 1HD1 ILE 11 6.324 -9.859 6.432 116 2HD1 ILE 11 2HD1 ILE 11 6.607 -8.558 5.271 117 3HD1 ILE 11 3HD1 ILE 11 6.294 -8.180 6.973 118 H GLN 12 H GLN 12 2.352 -9.981 2.074 119 HA GLN 12 HA GLN 12 2.635 -12.710 1.458 120 1HB GLN 12 1HB GLN 12 0.568 -11.056 1.335 121 2HB GLN 12 2HB GLN 12 1.143 -10.769 -0.309 122 1HG GLN 12 1HG GLN 12 1.007 -13.418 -0.461 123 2HG GLN 12 2HG GLN 12 -0.131 -13.206 0.882 124 1HE2 GLN 12 1HE2 GLN 12 -1.755 -11.089 0.366 125 2HE2 GLN 12 2HE2 GLN 12 -2.302 -11.075 -1.304 126 H LEU 13 H LEU 13 3.706 -9.853 -0.260 127 HA LEU 13 HA LEU 13 4.860 -11.442 -2.451 128 1HB LEU 13 1HB LEU 13 3.598 -9.315 -2.795 129 2HB LEU 13 2HB LEU 13 4.877 -8.453 -1.954 130 HG LEU 13 HG LEU 13 6.454 -8.941 -3.723 131 1HD1 LEU 13 1HD1 LEU 13 5.859 -11.238 -4.359 132 2HD1 LEU 13 2HD1 LEU 13 4.289 -10.688 -4.991 133 3HD1 LEU 13 3HD1 LEU 13 5.820 -10.195 -5.767 134 1HD2 LEU 13 1HD2 LEU 13 3.757 -8.189 -4.951 135 2HD2 LEU 13 2HD2 LEU 13 4.832 -7.072 -4.089 136 3HD2 LEU 13 3HD2 LEU 13 5.359 -7.810 -5.612 137 H GLY 14 H GLY 14 5.694 -10.526 0.654 138 1HA GLY 14 1HA GLY 14 7.478 -10.638 1.967 139 2HA GLY 14 2HA GLY 14 8.096 -11.864 0.880 140 H LEU 15 H LEU 15 7.474 -8.351 0.361 141 HA LEU 15 HA LEU 15 10.363 -7.875 0.030 142 1HB LEU 15 1HB LEU 15 10.145 -7.006 -1.966 143 2HB LEU 15 2HB LEU 15 8.797 -8.094 -2.121 144 HG LEU 15 HG LEU 15 8.445 -5.238 -1.116 145 1HD1 LEU 15 1HD1 LEU 15 8.341 -6.214 -4.004 146 2HD1 LEU 15 2HD1 LEU 15 7.945 -4.563 -3.467 147 3HD1 LEU 15 3HD1 LEU 15 9.607 -5.169 -3.368 148 1HD2 LEU 15 1HD2 LEU 15 6.200 -5.449 -1.854 149 2HD2 LEU 15 2HD2 LEU 15 6.560 -7.011 -2.608 150 3HD2 LEU 15 3HD2 LEU 15 6.594 -6.854 -0.850 151 H ASN 16 H ASN 16 10.902 -5.586 0.175 152 HA ASN 16 HA ASN 16 9.885 -4.833 2.826 153 1HB ASN 16 1HB ASN 16 12.169 -3.510 1.350 154 2HB ASN 16 2HB ASN 16 11.802 -3.431 3.055 155 1HD2 ASN 16 1HD2 ASN 16 14.229 -4.633 1.337 156 2HD2 ASN 16 2HD2 ASN 16 14.349 -6.231 2.036 157 H GLN 17 H GLN 17 9.550 -2.408 3.448 158 HA GLN 17 HA GLN 17 7.688 -1.093 1.882 159 1HB GLN 17 1HB GLN 17 9.799 0.192 3.699 160 2HB GLN 17 2HB GLN 17 8.327 0.970 3.156 161 1HG GLN 17 1HG GLN 17 7.072 -0.888 4.396 162 2HG GLN 17 2HG GLN 17 8.633 -1.317 5.115 163 1HE2 GLN 17 1HE2 GLN 17 6.197 -0.245 6.249 164 2HE2 GLN 17 2HE2 GLN 17 6.637 1.178 7.242 165 H ALA 18 H ALA 18 11.192 -0.422 1.981 166 HA ALA 18 HA ALA 18 11.217 1.710 0.213 167 1HB ALA 18 1HB ALA 18 13.371 -0.415 0.663 168 2HB ALA 18 2HB ALA 18 13.638 1.149 -0.127 169 3HB ALA 18 3HB ALA 18 13.170 1.097 1.580 170 H GLU 19 H GLU 19 11.521 -1.735 -0.490 171 HA GLU 19 HA GLU 19 12.007 -1.476 -3.250 172 1HB GLU 19 1HB GLU 19 10.698 -3.809 -1.754 173 2HB GLU 19 2HB GLU 19 11.526 -3.889 -3.321 174 1HG GLU 19 1HG GLU 19 13.607 -3.114 -2.167 175 2HG GLU 19 2HG GLU 19 12.772 -3.199 -0.633 176 H LEU 20 H LEU 20 8.987 -2.177 -1.459 177 HA LEU 20 HA LEU 20 7.334 -2.377 -3.768 178 1HB LEU 20 1HB LEU 20 6.592 -2.993 -1.431 179 2HB LEU 20 2HB LEU 20 6.581 -1.273 -1.015 180 HG LEU 20 HG LEU 20 4.976 -0.992 -3.078 181 1HD1 LEU 20 1HD1 LEU 20 5.421 -3.344 -3.939 182 2HD1 LEU 20 2HD1 LEU 20 4.601 -3.970 -2.514 183 3HD1 LEU 20 3HD1 LEU 20 3.695 -2.984 -3.690 184 1HD2 LEU 20 1HD2 LEU 20 3.690 -2.586 -0.904 185 2HD2 LEU 20 2HD2 LEU 20 4.300 -0.908 -0.644 186 3HD2 LEU 20 3HD2 LEU 20 3.053 -1.241 -1.858 187 H ALA 21 H ALA 21 8.193 0.325 -1.681 188 HA ALA 21 HA ALA 21 6.755 2.371 -2.834 189 1HB ALA 21 1HB ALA 21 8.096 2.555 -0.733 190 2HB ALA 21 2HB ALA 21 9.569 2.635 -1.691 191 3HB ALA 21 3HB ALA 21 8.346 3.888 -1.867 192 H GLN 22 H GLN 22 10.134 1.407 -3.694 193 HA GLN 22 HA GLN 22 10.339 3.401 -5.706 194 1HB GLN 22 1HB GLN 22 12.050 1.330 -4.644 195 2HB GLN 22 2HB GLN 22 12.016 1.149 -6.388 196 1HG GLN 22 1HG GLN 22 13.808 2.604 -5.927 197 2HG GLN 22 2HG GLN 22 12.529 3.613 -6.604 198 1HE2 GLN 22 1HE2 GLN 22 11.449 5.170 -5.150 199 2HE2 GLN 22 2HE2 GLN 22 12.108 5.516 -3.567 200 H LYS 23 H LYS 23 9.247 -0.041 -5.988 201 HA LYS 23 HA LYS 23 9.123 0.272 -8.866 202 1HB LYS 23 1HB LYS 23 9.419 -1.844 -8.798 203 2HB LYS 23 2HB LYS 23 9.328 -1.895 -7.074 204 1HG LYS 23 1HG LYS 23 6.860 -2.185 -8.847 205 2HG LYS 23 2HG LYS 23 7.880 -3.525 -8.337 206 1HD LYS 23 1HD LYS 23 7.449 -3.043 -5.973 207 2HD LYS 23 2HD LYS 23 6.522 -1.605 -6.416 208 1HE LYS 23 1HE LYS 23 4.938 -3.313 -5.924 209 2HE LYS 23 2HE LYS 23 4.896 -3.001 -7.648 210 1HZ LYS 23 1HZ LYS 23 4.925 -5.399 -6.930 211 2HZ LYS 23 2HZ LYS 23 5.917 -4.980 -8.124 212 3HZ LYS 23 3HZ LYS 23 6.573 -5.212 -6.647 213 H VAL 24 H VAL 24 6.886 1.071 -6.286 214 HA VAL 24 HA VAL 24 4.598 1.271 -8.109 215 HB VAL 24 HB VAL 24 5.088 2.653 -5.479 216 1HG1 VAL 24 1HG1 VAL 24 2.614 2.803 -5.379 217 2HG1 VAL 24 2HG1 VAL 24 3.235 3.608 -6.819 218 3HG1 VAL 24 3HG1 VAL 24 2.525 2.000 -6.973 219 1HG2 VAL 24 1HG2 VAL 24 4.606 0.906 -4.235 220 2HG2 VAL 24 2HG2 VAL 24 3.185 0.478 -5.166 221 3HG2 VAL 24 3HG2 VAL 24 4.753 -0.142 -5.664 222 H GLY 25 H GLY 25 7.293 3.298 -6.858 223 1HA GLY 25 1HA GLY 25 8.190 5.171 -8.021 224 2HA GLY 25 2HA GLY 25 6.602 5.466 -8.733 225 H VAL 26 H VAL 26 6.649 4.679 -5.318 226 HA VAL 26 HA VAL 26 6.173 7.475 -4.574 227 HB VAL 26 HB VAL 26 4.863 6.576 -2.808 228 1HG1 VAL 26 1HG1 VAL 26 3.711 6.984 -4.939 229 2HG1 VAL 26 2HG1 VAL 26 3.985 5.300 -5.421 230 3HG1 VAL 26 3HG1 VAL 26 2.949 5.659 -4.037 231 1HG2 VAL 26 1HG2 VAL 26 4.193 4.244 -2.554 232 2HG2 VAL 26 2HG2 VAL 26 5.413 3.792 -3.759 233 3HG2 VAL 26 3HG2 VAL 26 5.904 4.513 -2.221 234 H ASP 27 H ASP 27 6.779 7.679 -2.018 235 HA ASP 27 HA ASP 27 9.562 6.944 -1.712 236 1HB ASP 27 1HB ASP 27 8.726 8.084 0.646 237 2HB ASP 27 2HB ASP 27 9.441 8.942 -0.685 238 H GLN 28 H GLN 28 10.330 5.736 0.130 239 HA GLN 28 HA GLN 28 8.857 3.523 1.201 240 1HB GLN 28 1HB GLN 28 11.362 3.881 1.333 241 2HB GLN 28 2HB GLN 28 11.055 5.066 2.616 242 1HG GLN 28 1HG GLN 28 9.657 3.109 3.731 243 2HG GLN 28 2HG GLN 28 10.498 2.088 2.575 244 1HE2 GLN 28 1HE2 GLN 28 10.904 4.382 5.247 245 2HE2 GLN 28 2HE2 GLN 28 12.528 3.884 5.695 246 H GLN 29 H GLN 29 9.310 6.916 2.288 247 HA GLN 29 HA GLN 29 7.973 6.831 4.702 248 1HB GLN 29 1HB GLN 29 9.127 8.833 3.077 249 2HB GLN 29 2HB GLN 29 7.437 9.299 3.147 250 1HG GLN 29 1HG GLN 29 8.579 10.382 4.942 251 2HG GLN 29 2HG GLN 29 7.522 9.152 5.650 252 1HE2 GLN 29 1HE2 GLN 29 8.975 9.206 7.600 253 2HE2 GLN 29 2HE2 GLN 29 10.469 8.293 7.563 254 H ALA 30 H ALA 30 6.571 7.273 1.416 255 HA ALA 30 HA ALA 30 3.870 7.603 2.145 256 1HB ALA 30 1HB ALA 30 4.887 7.846 -0.202 257 2HB ALA 30 2HB ALA 30 4.808 6.078 -0.312 258 3HB ALA 30 3HB ALA 30 3.333 7.018 -0.088 259 H ILE 31 H ILE 31 5.817 4.610 1.825 260 HA ILE 31 HA ILE 31 3.523 2.874 2.158 261 HB ILE 31 HB ILE 31 6.508 2.324 2.554 262 1HG1 ILE 31 1HG1 ILE 31 6.301 2.971 0.343 263 2HG1 ILE 31 2HG1 ILE 31 6.385 1.215 0.370 264 1HG2 ILE 31 1HG2 ILE 31 4.090 0.523 2.321 265 2HG2 ILE 31 2HG2 ILE 31 5.772 -0.049 2.158 266 3HG2 ILE 31 3HG2 ILE 31 5.215 0.638 3.688 267 1HD1 ILE 31 1HD1 ILE 31 3.965 2.952 -0.231 268 2HD1 ILE 31 2HD1 ILE 31 4.811 1.839 -1.317 269 3HD1 ILE 31 3HD1 ILE 31 3.867 1.197 0.047 270 H GLU 32 H GLU 32 5.989 4.248 4.362 271 HA GLU 32 HA GLU 32 5.151 2.851 6.729 272 1HB GLU 32 1HB GLU 32 7.344 4.130 6.407 273 2HB GLU 32 2HB GLU 32 6.416 5.628 6.399 274 1HG GLU 32 1HG GLU 32 7.154 5.517 8.604 275 2HG GLU 32 2HG GLU 32 5.536 4.923 8.738 276 H GLN 33 H GLN 33 4.249 6.097 5.556 277 HA GLN 33 HA GLN 33 2.482 6.469 7.754 278 1HB GLN 33 1HB GLN 33 1.705 8.417 6.633 279 2HB GLN 33 2HB GLN 33 3.432 8.250 6.328 280 1HG GLN 33 1HG GLN 33 2.794 7.130 4.146 281 2HG GLN 33 2HG GLN 33 1.125 7.646 4.441 282 1HE2 GLN 33 1HE2 GLN 33 4.472 8.702 3.953 283 2HE2 GLN 33 2HE2 GLN 33 4.143 10.391 3.616 284 H LEU 34 H LEU 34 2.011 4.875 4.557 285 HA LEU 34 HA LEU 34 -0.810 4.689 4.769 286 1HB LEU 34 1HB LEU 34 1.420 3.525 3.157 287 2HB LEU 34 2HB LEU 34 0.082 2.453 3.351 288 HG LEU 34 HG LEU 34 -0.269 5.340 2.539 289 1HD1 LEU 34 1HD1 LEU 34 -0.449 4.477 0.211 290 2HD1 LEU 34 2HD1 LEU 34 1.150 4.144 0.885 291 3HD1 LEU 34 3HD1 LEU 34 -0.055 2.840 0.773 292 1HD2 LEU 34 1HD2 LEU 34 -2.211 3.107 1.872 293 2HD2 LEU 34 2HD2 LEU 34 -2.333 4.020 3.388 294 3HD2 LEU 34 3HD2 LEU 34 -2.447 4.845 1.834 295 H GLU 35 H GLU 35 1.903 2.688 5.907 296 HA GLU 35 HA GLU 35 0.372 0.413 6.786 297 1HB GLU 35 1HB GLU 35 3.116 1.482 7.544 298 2HB GLU 35 2HB GLU 35 2.347 0.226 8.509 299 1HG GLU 35 1HG GLU 35 2.050 -1.151 6.424 300 2HG GLU 35 2HG GLU 35 2.971 0.071 5.558 301 H ASN 36 H ASN 36 1.241 3.509 8.505 302 HA ASN 36 HA ASN 36 -0.190 2.524 10.850 303 1HB ASN 36 1HB ASN 36 0.415 4.469 11.882 304 2HB ASN 36 2HB ASN 36 1.811 4.035 10.918 305 1HD2 ASN 36 1HD2 ASN 36 2.788 5.916 10.342 306 2HD2 ASN 36 2HD2 ASN 36 1.999 7.320 9.721 307 H GLY 37 H GLY 37 -1.107 3.945 7.858 308 1HA GLY 37 1HA GLY 37 -3.366 3.970 7.183 309 2HA GLY 37 2HA GLY 37 -3.876 4.333 8.829 310 H LYS 38 H LYS 38 -1.183 6.331 8.018 311 HA LYS 38 HA LYS 38 -2.789 8.655 8.373 312 1HB LYS 38 1HB LYS 38 0.087 7.933 8.054 313 2HB LYS 38 2HB LYS 38 -0.297 9.462 7.362 314 1HG LYS 38 1HG LYS 38 -1.439 9.787 9.849 315 2HG LYS 38 2HG LYS 38 -0.137 8.670 10.218 316 1HD LYS 38 1HD LYS 38 0.887 10.706 10.518 317 2HD LYS 38 2HD LYS 38 1.425 10.222 8.908 318 1HE LYS 38 1HE LYS 38 -0.544 11.652 8.008 319 2HE LYS 38 2HE LYS 38 -0.727 12.241 9.668 320 1HZ LYS 38 1HZ LYS 38 1.552 12.619 7.855 321 2HZ LYS 38 2HZ LYS 38 0.660 13.783 8.624 322 3HZ LYS 38 3HZ LYS 38 1.723 12.838 9.452 323 H ALA 39 H ALA 39 -2.111 6.923 5.368 324 HA ALA 39 HA ALA 39 -3.099 9.305 3.874 325 1HB ALA 39 1HB ALA 39 -2.323 8.040 1.921 326 2HB ALA 39 2HB ALA 39 -0.965 8.332 3.044 327 3HB ALA 39 3HB ALA 39 -1.749 6.746 2.988 328 H LYS 40 H LYS 40 -5.320 9.182 4.116 329 HA LYS 40 HA LYS 40 -6.709 6.653 4.438 330 1HB LYS 40 1HB LYS 40 -7.450 8.835 5.392 331 2HB LYS 40 2HB LYS 40 -7.892 9.389 3.788 332 1HG LYS 40 1HG LYS 40 -9.023 6.828 5.014 333 2HG LYS 40 2HG LYS 40 -9.702 8.421 5.349 334 1HD LYS 40 1HD LYS 40 -10.029 8.767 2.883 335 2HD LYS 40 2HD LYS 40 -9.591 7.063 2.622 336 1HE LYS 40 1HE LYS 40 -11.444 6.299 3.989 337 2HE LYS 40 2HE LYS 40 -11.777 7.943 4.540 338 1HZ LYS 40 1HZ LYS 40 -12.365 8.530 2.266 339 2HZ LYS 40 2HZ LYS 40 -12.154 6.981 1.772 340 3HZ LYS 40 3HZ LYS 40 -13.333 7.360 2.873 341 H ARG 41 H ARG 41 -7.043 9.098 1.716 342 HA ARG 41 HA ARG 41 -6.712 6.762 -0.122 343 1HB ARG 41 1HB ARG 41 -8.942 7.579 -0.384 344 2HB ARG 41 2HB ARG 41 -8.411 9.252 -0.361 345 1HG ARG 41 1HG ARG 41 -7.114 8.817 -2.523 346 2HG ARG 41 2HG ARG 41 -7.944 7.267 -2.613 347 1HD ARG 41 1HD ARG 41 -9.306 9.984 -2.429 348 2HD ARG 41 2HD ARG 41 -8.915 9.161 -3.942 349 HE ARG 41 HE ARG 41 -10.586 7.676 -1.994 350 1HH1 ARG 41 2HH2 ARG 41 -10.764 10.066 -4.525 351 2HH1 ARG 41 1HH2 ARG 41 -12.150 9.420 -5.323 352 1HH2 ARG 41 2HH1 ARG 41 -12.523 6.771 -2.952 353 2HH2 ARG 41 1HH1 ARG 41 -13.197 7.497 -4.364 354 HA PRO 42 HA PRO 42 -3.033 9.453 -0.541 355 1HB PRO 42 1HB PRO 42 -1.461 7.603 -1.877 356 2HB PRO 42 2HB PRO 42 -1.551 7.747 -0.106 357 1HG PRO 42 1HG PRO 42 -2.973 5.819 -1.925 358 2HG PRO 42 2HG PRO 42 -2.272 5.502 -0.323 359 1HD PRO 42 1HD PRO 42 -4.944 5.876 -0.698 360 2HD PRO 42 2HD PRO 42 -4.144 6.414 0.796 361 H ARG 43 H ARG 43 -2.248 10.518 -2.357 362 HA ARG 43 HA ARG 43 -3.849 10.817 -4.581 363 1HB ARG 43 1HB ARG 43 -2.157 12.310 -5.374 364 2HB ARG 43 2HB ARG 43 -2.036 12.332 -3.634 365 1HG ARG 43 1HG ARG 43 0.168 12.226 -4.152 366 2HG ARG 43 2HG ARG 43 -0.156 10.500 -4.000 367 1HD ARG 43 1HD ARG 43 -0.504 10.469 -6.527 368 2HD ARG 43 2HD ARG 43 0.017 12.157 -6.563 369 HE ARG 43 HE ARG 43 2.096 11.094 -5.329 370 1HH1 ARG 43 2HH2 ARG 43 0.421 10.080 -8.317 371 2HH1 ARG 43 1HH2 ARG 43 1.750 9.124 -8.901 372 1HH2 ARG 43 2HH1 ARG 43 3.887 9.843 -6.135 373 2HH2 ARG 43 1HH1 ARG 43 3.734 8.971 -7.612 374 H PHE 44 H PHE 44 -1.609 8.254 -4.139 375 HA PHE 44 HA PHE 44 -1.520 7.591 -7.037 376 1HB PHE 44 1HB PHE 44 0.491 6.263 -6.342 377 2HB PHE 44 2HB PHE 44 0.650 7.972 -6.059 378 HD1 PHE 44 1HD PHE 44 -0.399 4.830 -4.251 379 HD2 PHE 44 2HD PHE 44 1.454 8.718 -3.942 380 HE1 PHE 44 1HE PHE 44 0.038 4.423 -1.900 381 HE2 PHE 44 2HE PHE 44 1.951 8.262 -1.570 382 HZ PHE 44 HZ PHE 44 1.215 6.138 -0.509 383 H LEU 45 H LEU 45 -3.677 6.768 -4.654 384 HA LEU 45 HA LEU 45 -3.146 4.292 -3.784 385 1HB LEU 45 1HB LEU 45 -4.941 5.827 -3.045 386 2HB LEU 45 2HB LEU 45 -5.832 5.513 -4.528 387 HG LEU 45 HG LEU 45 -6.106 3.229 -3.941 388 1HD1 LEU 45 1HD1 LEU 45 -4.652 3.785 -1.314 389 2HD1 LEU 45 2HD1 LEU 45 -5.583 2.326 -1.669 390 3HD1 LEU 45 3HD1 LEU 45 -4.129 2.673 -2.599 391 1HD2 LEU 45 1HD2 LEU 45 -7.642 3.538 -1.970 392 2HD2 LEU 45 2HD2 LEU 45 -6.905 5.116 -1.688 393 3HD2 LEU 45 3HD2 LEU 45 -7.805 4.810 -3.192 394 HA PRO 46 HA PRO 46 -5.013 1.787 -7.296 395 1HB PRO 46 1HB PRO 46 -5.068 2.762 -9.861 396 2HB PRO 46 2HB PRO 46 -6.450 2.856 -8.730 397 1HG PRO 46 1HG PRO 46 -4.366 4.968 -9.334 398 2HG PRO 46 2HG PRO 46 -6.145 5.175 -9.243 399 1HD PRO 46 1HD PRO 46 -4.534 5.836 -7.186 400 2HD PRO 46 2HD PRO 46 -6.110 5.056 -6.872 401 H GLU 47 H GLU 47 -2.249 3.985 -7.892 402 HA GLU 47 HA GLU 47 -0.859 2.157 -9.660 403 1HB GLU 47 1HB GLU 47 0.001 4.558 -7.969 404 2HB GLU 47 2HB GLU 47 1.105 3.611 -8.921 405 1HG GLU 47 1HG GLU 47 -1.330 4.930 -10.154 406 2HG GLU 47 2HG GLU 47 0.207 5.776 -9.958 407 H LEU 48 H LEU 48 -0.897 2.998 -6.160 408 HA LEU 48 HA LEU 48 1.116 1.044 -5.502 409 1HB LEU 48 1HB LEU 48 0.551 2.875 -4.009 410 2HB LEU 48 2HB LEU 48 -1.033 2.186 -3.677 411 HG LEU 48 HG LEU 48 1.279 0.293 -3.316 412 1HD1 LEU 48 1HD1 LEU 48 1.014 2.576 -1.357 413 2HD1 LEU 48 2HD1 LEU 48 2.054 1.155 -1.232 414 3HD1 LEU 48 3HD1 LEU 48 2.344 2.345 -2.514 415 1HD2 LEU 48 1HD2 LEU 48 -0.950 -0.372 -2.601 416 2HD2 LEU 48 2HD2 LEU 48 0.093 -0.229 -1.186 417 3HD2 LEU 48 3HD2 LEU 48 -1.085 1.052 -1.542 418 H ALA 49 H ALA 49 -2.431 0.940 -5.454 419 HA ALA 49 HA ALA 49 -2.550 -1.792 -4.533 420 1HB ALA 49 1HB ALA 49 -4.843 -1.834 -5.346 421 2HB ALA 49 2HB ALA 49 -4.553 -0.189 -4.753 422 3HB ALA 49 3HB ALA 49 -4.537 -0.516 -6.494 423 H ARG 50 H ARG 50 -2.531 -0.633 -7.939 424 HA ARG 50 HA ARG 50 -2.506 -3.150 -9.189 425 1HB ARG 50 1HB ARG 50 -2.959 -0.950 -10.190 426 2HB ARG 50 2HB ARG 50 -1.268 -0.480 -9.986 427 1HG ARG 50 1HG ARG 50 -0.587 -2.177 -11.646 428 2HG ARG 50 2HG ARG 50 -2.288 -2.710 -11.794 429 1HD ARG 50 1HD ARG 50 -2.933 -0.367 -12.439 430 2HD ARG 50 2HD ARG 50 -1.254 0.124 -12.287 431 HE ARG 50 HE ARG 50 -0.813 -0.660 -14.333 432 1HH1 ARG 50 2HH2 ARG 50 -3.921 -2.142 -13.331 433 2HH1 ARG 50 1HH2 ARG 50 -4.082 -3.008 -14.840 434 1HH2 ARG 50 2HH1 ARG 50 -1.374 -1.398 -16.435 435 2HH2 ARG 50 1HH1 ARG 50 -2.917 -2.191 -16.689 436 H ALA 51 H ALA 51 0.257 -1.121 -8.072 437 HA ALA 51 HA ALA 51 2.319 -2.868 -8.920 438 1HB ALA 51 1HB ALA 51 2.694 -0.505 -8.414 439 2HB ALA 51 2HB ALA 51 2.236 -0.780 -6.720 440 3HB ALA 51 3HB ALA 51 3.715 -1.491 -7.373 441 H LEU 52 H LEU 52 0.388 -2.740 -5.896 442 HA LEU 52 HA LEU 52 1.950 -4.724 -4.516 443 1HB LEU 52 1HB LEU 52 0.292 -2.948 -3.643 444 2HB LEU 52 2HB LEU 52 -0.992 -4.041 -3.991 445 HG LEU 52 HG LEU 52 -0.319 -5.439 -2.212 446 1HD1 LEU 52 1HD1 LEU 52 2.097 -5.745 -2.578 447 2HD1 LEU 52 2HD1 LEU 52 2.376 -4.056 -2.092 448 3HD1 LEU 52 3HD1 LEU 52 1.807 -5.245 -0.912 449 1HD2 LEU 52 1HD2 LEU 52 -1.195 -3.272 -1.426 450 2HD2 LEU 52 2HD2 LEU 52 -0.029 -3.905 -0.251 451 3HD2 LEU 52 3HD2 LEU 52 0.454 -2.613 -1.360 452 H GLY 53 H GLY 53 -0.905 -4.737 -6.589 453 1HA GLY 53 1HA GLY 53 -1.308 -6.465 -8.189 454 2HA GLY 53 2HA GLY 53 -0.704 -7.669 -7.054 455 H VAL 54 H VAL 54 -3.046 -4.950 -6.446 456 HA VAL 54 HA VAL 54 -5.257 -6.833 -6.276 457 HB VAL 54 HB VAL 54 -5.948 -6.223 -4.027 458 1HG1 VAL 54 1HG1 VAL 54 -4.302 -7.282 -2.639 459 2HG1 VAL 54 2HG1 VAL 54 -4.306 -8.101 -4.201 460 3HG1 VAL 54 3HG1 VAL 54 -3.016 -6.938 -3.810 461 1HG2 VAL 54 1HG2 VAL 54 -4.237 -4.911 -2.574 462 2HG2 VAL 54 2HG2 VAL 54 -3.639 -4.283 -4.112 463 3HG2 VAL 54 3HG2 VAL 54 -5.340 -4.040 -3.644 464 H ALA 55 H ALA 55 -7.315 -5.384 -5.752 465 HA ALA 55 HA ALA 55 -7.204 -2.972 -7.455 466 1HB ALA 55 1HB ALA 55 -9.554 -4.247 -6.002 467 2HB ALA 55 2HB ALA 55 -9.625 -2.992 -7.255 468 3HB ALA 55 3HB ALA 55 -9.075 -4.621 -7.675 469 H VAL 56 H VAL 56 -7.989 -0.896 -6.662 470 HA VAL 56 HA VAL 56 -7.435 -0.051 -3.994 471 HB VAL 56 HB VAL 56 -9.283 0.959 -6.217 472 1HG1 VAL 56 1HG1 VAL 56 -9.263 3.161 -4.981 473 2HG1 VAL 56 2HG1 VAL 56 -10.234 1.884 -4.256 474 3HG1 VAL 56 3HG1 VAL 56 -8.644 2.263 -3.564 475 1HG2 VAL 56 1HG2 VAL 56 -7.073 1.208 -6.928 476 2HG2 VAL 56 2HG2 VAL 56 -7.362 2.780 -6.176 477 3HG2 VAL 56 3HG2 VAL 56 -6.451 1.533 -5.312 478 H ASP 57 H ASP 57 -10.518 -1.384 -5.400 479 HA ASP 57 HA ASP 57 -12.024 -0.995 -3.062 480 1HB ASP 57 1HB ASP 57 -12.827 -1.866 -5.334 481 2HB ASP 57 2HB ASP 57 -12.265 -3.455 -4.843 482 H TRP 58 H TRP 58 -9.785 -3.680 -3.832 483 HA TRP 58 HA TRP 58 -10.380 -5.158 -1.431 484 1HB TRP 58 1HB TRP 58 -9.311 -6.147 -3.374 485 2HB TRP 58 2HB TRP 58 -7.880 -5.139 -3.131 486 HD1 TRP 58 HD TRP 58 -9.602 -8.199 -2.004 487 HE1 TRP 58 1HE TRP 58 -8.190 -9.549 -0.257 488 HE3 TRP 58 3HE TRP 58 -5.935 -4.826 -1.209 489 HZ2 TRP 58 2HZ TRP 58 -5.590 -9.293 0.946 490 HZ3 TRP 58 3HZ TRP 58 -3.927 -5.406 0.194 491 HH2 TRP 58 HH TRP 58 -3.781 -7.635 1.277 492 H LEU 59 H LEU 59 -7.939 -2.670 -2.314 493 HA LEU 59 HA LEU 59 -6.648 -2.682 0.236 494 1HB LEU 59 1HB LEU 59 -6.804 -0.825 -2.105 495 2HB LEU 59 2HB LEU 59 -6.344 -0.131 -0.596 496 HG LEU 59 HG LEU 59 -4.939 -2.280 -2.191 497 1HD1 LEU 59 1HD1 LEU 59 -3.954 0.286 -0.876 498 2HD1 LEU 59 2HD1 LEU 59 -3.093 -0.729 -2.061 499 3HD1 LEU 59 3HD1 LEU 59 -4.536 0.172 -2.546 500 1HD2 LEU 59 1HD2 LEU 59 -4.683 -3.250 0.003 501 2HD2 LEU 59 2HD2 LEU 59 -3.205 -2.363 -0.304 502 3HD2 LEU 59 3HD2 LEU 59 -4.463 -1.657 0.746 503 H LEU 60 H LEU 60 -9.454 -0.831 -0.887 504 HA LEU 60 HA LEU 60 -9.773 0.698 1.503 505 1HB LEU 60 1HB LEU 60 -11.591 -0.179 -0.776 506 2HB LEU 60 2HB LEU 60 -12.198 0.783 0.539 507 HG LEU 60 HG LEU 60 -9.804 1.603 -1.192 508 1HD1 LEU 60 1HD1 LEU 60 -12.703 2.477 -1.444 509 2HD1 LEU 60 2HD1 LEU 60 -11.329 3.089 -2.391 510 3HD1 LEU 60 3HD1 LEU 60 -11.845 1.402 -2.558 511 1HD2 LEU 60 1HD2 LEU 60 -11.483 3.166 0.790 512 2HD2 LEU 60 2HD2 LEU 60 -9.755 2.799 0.913 513 3HD2 LEU 60 3HD2 LEU 60 -10.325 3.903 -0.341 514 H ASN 61 H ASN 61 -11.382 -2.234 0.373 515 HA ASN 61 HA ASN 61 -12.749 -2.509 2.967 516 1HB ASN 61 1HB ASN 61 -13.391 -3.801 0.290 517 2HB ASN 61 2HB ASN 61 -14.435 -3.649 1.700 518 1HD2 ASN 61 1HD2 ASN 61 -14.067 -2.403 -1.282 519 2HD2 ASN 61 2HD2 ASN 61 -14.517 -0.717 -1.028 520 H GLY 62 H GLY 62 -11.055 -4.565 0.573 521 1HA GLY 62 1HA GLY 62 -9.711 -6.419 0.980 522 2HA GLY 62 2HA GLY 62 -10.295 -6.499 2.639 523 H ALA 63 H ALA 63 -11.241 -7.040 -0.736 524 HA ALA 63 HA ALA 63 -13.562 -8.231 -0.774 525 1HB ALA 63 1HB ALA 63 -11.246 -9.608 -2.144 526 2HB ALA 63 2HB ALA 63 -12.941 -9.549 -2.638 527 3HB ALA 63 3HB ALA 63 -11.968 -8.081 -2.705
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