NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
635870 | 6ith | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 11.472 6.235 -9.314 2 HA MET 1 HA MET 1 10.830 4.785 -7.683 3 HB2 MET 1 HB2 MET 1 9.604 5.717 -5.704 4 HB3 MET 1 HB3 MET 1 11.113 6.537 -6.080 5 HG2 MET 1 HG2 MET 1 9.061 7.865 -7.492 6 HG3 MET 1 HG3 MET 1 8.496 7.619 -5.841 7 HE1 MET 1 HE1 MET 1 11.142 10.203 -7.869 8 HE2 MET 1 HE2 MET 1 9.417 9.847 -7.947 9 HE3 MET 1 HE3 MET 1 9.999 11.176 -6.943 10 H GLU 2 H GLU 2 9.264 3.265 -7.585 11 HA GLU 2 HA GLU 2 6.680 3.945 -8.819 12 HB2 GLU 2 HB2 GLU 2 8.486 1.647 -9.054 13 HB3 GLU 2 HB3 GLU 2 6.804 1.200 -8.809 14 HG2 GLU 2 HG2 GLU 2 6.226 2.722 -10.718 15 HG3 GLU 2 HG3 GLU 2 7.955 2.872 -11.023 16 H GLN 3 H GLN 3 8.225 2.374 -6.088 17 HA GLN 3 HA GLN 3 5.765 1.448 -4.933 18 HB2 GLN 3 HB2 GLN 3 8.567 1.103 -4.447 19 HB3 GLN 3 HB3 GLN 3 7.784 1.593 -2.951 20 HG2 GLN 3 HG2 GLN 3 7.235 -0.532 -2.668 21 HG3 GLN 3 HG3 GLN 3 6.090 -0.328 -3.993 22 HE21 GLN 3 HE21 GLN 3 6.209 -2.100 -5.179 23 HE22 GLN 3 HE22 GLN 3 7.660 -2.825 -5.773 24 H SER 4 H SER 4 5.258 2.089 -2.603 25 HA SER 4 HA SER 4 5.196 5.022 -2.485 26 HB2 SER 4 HB2 SER 4 3.409 4.327 -0.613 27 HB3 SER 4 HB3 SER 4 2.988 4.440 -2.321 28 HG SER 4 HG SER 4 2.759 2.342 -0.783 29 H THR 5 H THR 5 7.494 3.425 -1.651 30 HA THR 5 HA THR 5 7.604 3.171 1.156 31 HB THR 5 HB THR 5 9.915 3.654 -0.733 32 HG1 THR 5 HG1 THR 5 8.495 1.313 0.005 33 HG21 THR 5 HG21 THR 5 9.856 3.518 2.057 34 HG22 THR 5 HG22 THR 5 11.274 3.388 1.017 35 HG23 THR 5 HG23 THR 5 10.420 1.933 1.529 36 H GLU 6 H GLU 6 8.548 5.796 -1.030 37 HA GLU 6 HA GLU 6 9.711 7.481 0.881 38 HB2 GLU 6 HB2 GLU 6 8.376 8.012 -1.763 39 HB3 GLU 6 HB3 GLU 6 9.024 9.319 -0.783 40 HG2 GLU 6 HG2 GLU 6 10.641 6.962 -1.715 41 HG3 GLU 6 HG3 GLU 6 10.546 8.498 -2.574 42 H VAL 7 H VAL 7 6.383 7.429 -0.384 43 HA VAL 7 HA VAL 7 5.419 9.505 1.270 44 HB VAL 7 HB VAL 7 3.155 8.598 0.726 45 HG11 VAL 7 HG11 VAL 7 5.042 9.817 -0.946 46 HG12 VAL 7 HG12 VAL 7 4.238 8.597 -1.936 47 HG13 VAL 7 HG13 VAL 7 3.287 9.836 -1.115 48 HG21 VAL 7 HG21 VAL 7 3.578 6.256 0.612 49 HG22 VAL 7 HG22 VAL 7 3.088 6.779 -1.000 50 HG23 VAL 7 HG23 VAL 7 4.789 6.475 -0.651 51 H LEU 8 H LEU 8 5.418 5.981 1.620 52 HA LEU 8 HA LEU 8 3.890 5.861 3.978 53 HB2 LEU 8 HB2 LEU 8 5.852 4.040 2.654 54 HB3 LEU 8 HB3 LEU 8 5.266 3.662 4.272 55 HG LEU 8 HG LEU 8 3.367 4.143 1.998 56 HD11 LEU 8 HD11 LEU 8 5.007 1.728 2.585 57 HD12 LEU 8 HD12 LEU 8 4.503 2.402 1.036 58 HD13 LEU 8 HD13 LEU 8 3.344 1.522 2.033 59 HD21 LEU 8 HD21 LEU 8 3.051 3.716 4.730 60 HD22 LEU 8 HD22 LEU 8 2.670 2.164 3.983 61 HD23 LEU 8 HD23 LEU 8 1.802 3.618 3.489 62 H ALA 9 H ALA 9 7.391 6.057 3.455 63 HA ALA 9 HA ALA 9 8.165 5.861 6.150 64 HB1 ALA 9 HB1 ALA 9 10.291 6.834 5.422 65 HB2 ALA 9 HB2 ALA 9 9.741 5.572 4.319 66 HB3 ALA 9 HB3 ALA 9 9.559 7.270 3.877 67 H ALA 10 H ALA 10 7.411 8.675 4.129 68 HA ALA 10 HA ALA 10 8.065 10.652 6.019 69 HB1 ALA 10 HB1 ALA 10 5.927 11.588 4.412 70 HB2 ALA 10 HB2 ALA 10 7.650 11.932 4.257 71 HB3 ALA 10 HB3 ALA 10 6.946 10.556 3.408 72 H VAL 11 H VAL 11 4.981 9.050 5.284 73 HA VAL 11 HA VAL 11 3.392 10.490 7.095 74 HB VAL 11 HB VAL 11 3.031 7.646 6.141 75 HG11 VAL 11 HG11 VAL 11 0.538 8.608 6.579 76 HG12 VAL 11 HG12 VAL 11 1.449 7.642 7.742 77 HG13 VAL 11 HG13 VAL 11 1.433 9.401 7.874 78 HG21 VAL 11 HG21 VAL 11 1.266 9.550 4.939 79 HG22 VAL 11 HG22 VAL 11 2.935 10.077 4.722 80 HG23 VAL 11 HG23 VAL 11 2.436 8.478 4.169 81 H ILE 12 H ILE 12 5.199 7.464 7.475 82 HA ILE 12 HA ILE 12 4.342 6.856 10.079 83 HB ILE 12 HB ILE 12 6.953 6.173 8.725 84 HG12 ILE 12 HG12 ILE 12 4.712 4.245 9.165 85 HG13 ILE 12 HG13 ILE 12 4.578 5.406 7.849 86 HG21 ILE 12 HG21 ILE 12 5.911 5.595 11.407 87 HG22 ILE 12 HG22 ILE 12 6.521 4.194 10.527 88 HG23 ILE 12 HG23 ILE 12 7.568 5.585 10.805 89 HD11 ILE 12 HD11 ILE 12 7.102 4.401 7.509 90 HD12 ILE 12 HD12 ILE 12 6.188 2.998 8.062 91 HD13 ILE 12 HD13 ILE 12 5.657 3.890 6.636 92 H ALA 13 H ALA 13 7.216 8.614 8.943 93 HA ALA 13 HA ALA 13 8.331 9.133 11.461 94 HB1 ALA 13 HB1 ALA 13 8.559 10.918 9.046 95 HB2 ALA 13 HB2 ALA 13 9.706 10.746 10.375 96 HB3 ALA 13 HB3 ALA 13 9.463 9.416 9.243 97 H GLY 14 H GLY 14 5.985 10.955 9.532 98 HA2 GLY 14 HA2 GLY 14 5.879 13.227 11.215 99 HA3 GLY 14 HA3 GLY 14 4.649 12.749 10.055 100 H GLY 15 H GLY 15 4.089 10.185 11.215 101 HA2 GLY 15 HA2 GLY 15 2.162 10.988 13.148 102 HA3 GLY 15 HA3 GLY 15 2.536 9.335 12.683 103 H VAL 16 H VAL 16 5.213 9.190 13.394 104 HA VAL 16 HA VAL 16 5.013 8.679 16.171 105 HB VAL 16 HB VAL 16 6.506 7.356 14.807 106 HG11 VAL 16 HG11 VAL 16 8.179 9.835 14.432 107 HG12 VAL 16 HG12 VAL 16 8.474 8.234 13.752 108 HG13 VAL 16 HG13 VAL 16 7.085 9.180 13.215 109 HG21 VAL 16 HG21 VAL 16 8.505 7.416 16.192 110 HG22 VAL 16 HG22 VAL 16 8.079 9.028 16.767 111 HG23 VAL 16 HG23 VAL 16 7.063 7.647 17.181 112 H ILE 17 H ILE 17 6.619 11.231 14.309 113 HA ILE 17 HA ILE 17 7.837 12.518 16.505 114 HB ILE 17 HB ILE 17 7.040 13.566 13.792 115 HG12 ILE 17 HG12 ILE 17 8.821 11.822 13.902 116 HG13 ILE 17 HG13 ILE 17 9.392 13.363 13.270 117 HG21 ILE 17 HG21 ILE 17 7.133 15.556 14.909 118 HG22 ILE 17 HG22 ILE 17 8.245 14.944 16.132 119 HG23 ILE 17 HG23 ILE 17 8.841 15.352 14.523 120 HD11 ILE 17 HD11 ILE 17 10.498 11.865 15.336 121 HD12 ILE 17 HD12 ILE 17 10.931 13.505 14.851 122 HD13 ILE 17 HD13 ILE 17 9.735 13.247 16.121 123 H GLY 18 H GLY 18 4.752 13.089 14.836 124 HA2 GLY 18 HA2 GLY 18 3.981 15.345 16.343 125 HA3 GLY 18 HA3 GLY 18 2.895 14.291 15.449 126 H PHE 19 H PHE 19 3.328 11.891 16.807 127 HA PHE 19 HA PHE 19 1.586 12.198 19.002 128 HB2 PHE 19 HB2 PHE 19 2.976 9.999 17.660 129 HB3 PHE 19 HB3 PHE 19 2.777 9.740 19.390 130 HD1 PHE 19 HD1 PHE 19 0.760 10.967 16.498 131 HD2 PHE 19 HD2 PHE 19 0.888 8.632 20.054 132 HE1 PHE 19 HE1 PHE 19 -1.568 10.267 16.118 133 HE2 PHE 19 HE2 PHE 19 -1.439 7.928 19.679 134 HZ PHE 19 HZ PHE 19 -2.670 8.744 17.709 135 H LEU 20 H LEU 20 5.085 11.713 18.798 136 HA LEU 20 HA LEU 20 5.554 11.471 21.567 137 HB2 LEU 20 HB2 LEU 20 7.092 11.576 19.170 138 HB3 LEU 20 HB3 LEU 20 7.796 12.691 20.339 139 HG LEU 20 HG LEU 20 7.831 10.759 21.971 140 HD11 LEU 20 HD11 LEU 20 7.784 8.509 20.985 141 HD12 LEU 20 HD12 LEU 20 7.254 9.204 19.454 142 HD13 LEU 20 HD13 LEU 20 6.221 9.318 20.878 143 HD21 LEU 20 HD21 LEU 20 9.976 10.668 21.416 144 HD22 LEU 20 HD22 LEU 20 9.595 11.490 19.903 145 HD23 LEU 20 HD23 LEU 20 9.598 9.727 19.972 146 H PHE 21 H PHE 21 5.441 14.255 19.405 147 HA PHE 21 HA PHE 21 6.362 16.157 21.294 148 HB2 PHE 21 HB2 PHE 21 5.596 16.159 18.574 149 HB3 PHE 21 HB3 PHE 21 4.579 17.348 19.381 150 HD1 PHE 21 HD1 PHE 21 5.382 19.482 19.726 151 HD2 PHE 21 HD2 PHE 21 8.139 16.305 19.077 152 HE1 PHE 21 HE1 PHE 21 7.232 21.104 19.669 153 HE2 PHE 21 HE2 PHE 21 9.993 17.921 19.021 154 HZ PHE 21 HZ PHE 21 9.542 20.323 19.318 155 H ALA 22 H ALA 22 3.134 15.086 20.315 156 HA ALA 22 HA ALA 22 1.661 16.928 21.846 157 HB1 ALA 22 HB1 ALA 22 -0.003 14.802 21.745 158 HB2 ALA 22 HB2 ALA 22 0.228 15.942 20.418 159 HB3 ALA 22 HB3 ALA 22 1.105 14.412 20.428 160 H ILE 23 H ILE 23 2.816 13.658 22.590 161 HA ILE 23 HA ILE 23 1.624 13.486 25.146 162 HB ILE 23 HB ILE 23 4.072 12.063 24.095 163 HG12 ILE 23 HG12 ILE 23 1.323 10.884 24.340 164 HG13 ILE 23 HG13 ILE 23 1.752 11.838 22.925 165 HG21 ILE 23 HG21 ILE 23 2.746 12.036 26.681 166 HG22 ILE 23 HG22 ILE 23 2.853 10.434 25.952 167 HG23 ILE 23 HG23 ILE 23 4.315 11.387 26.207 168 HD11 ILE 23 HD11 ILE 23 2.990 9.270 23.863 169 HD12 ILE 23 HD12 ILE 23 2.109 9.575 22.366 170 HD13 ILE 23 HD13 ILE 23 3.704 10.287 22.613 171 H PHE 24 H PHE 24 4.741 14.685 24.028 172 HA PHE 24 HA PHE 24 5.907 15.005 26.590 173 HB2 PHE 24 HB2 PHE 24 6.893 15.117 24.094 174 HB3 PHE 24 HB3 PHE 24 6.716 16.842 24.402 175 HD1 PHE 24 HD1 PHE 24 8.366 13.748 25.522 176 HD2 PHE 24 HD2 PHE 24 8.162 17.983 25.899 177 HE1 PHE 24 HE1 PHE 24 10.486 13.736 26.771 178 HE2 PHE 24 HE2 PHE 24 10.282 17.977 27.147 179 HZ PHE 24 HZ PHE 24 11.447 15.852 27.584 180 H LEU 25 H LEU 25 4.023 17.139 24.504 181 HA LEU 25 HA LEU 25 4.327 19.474 26.073 182 HB2 LEU 25 HB2 LEU 25 2.939 18.683 23.703 183 HB3 LEU 25 HB3 LEU 25 1.833 19.564 24.755 184 HG LEU 25 HG LEU 25 4.277 21.014 24.626 185 HD11 LEU 25 HD11 LEU 25 3.131 20.523 21.892 186 HD12 LEU 25 HD12 LEU 25 4.546 19.664 22.501 187 HD13 LEU 25 HD13 LEU 25 4.587 21.418 22.327 188 HD21 LEU 25 HD21 LEU 25 2.759 22.701 23.553 189 HD22 LEU 25 HD22 LEU 25 2.201 22.069 25.103 190 HD23 LEU 25 HD23 LEU 25 1.485 21.482 23.601 191 H ILE 26 H ILE 26 1.854 16.942 25.985 192 HA ILE 26 HA ILE 26 0.115 18.113 27.872 193 HB ILE 26 HB ILE 26 0.499 15.226 27.085 194 HG12 ILE 26 HG12 ILE 26 -0.320 16.789 25.329 195 HG13 ILE 26 HG13 ILE 26 -1.498 15.553 25.754 196 HG21 ILE 26 HG21 ILE 26 -0.607 14.782 28.989 197 HG22 ILE 26 HG22 ILE 26 -1.153 16.448 29.179 198 HG23 ILE 26 HG23 ILE 26 -2.016 15.356 28.096 199 HD11 ILE 26 HD11 ILE 26 -1.934 18.272 25.620 200 HD12 ILE 26 HD12 ILE 26 -2.993 17.072 26.363 201 HD13 ILE 26 HD13 ILE 26 -1.819 17.944 27.348 202 H LEU 27 H LEU 27 2.724 15.732 28.218 203 HA LEU 27 HA LEU 27 2.409 15.278 30.974 204 HB2 LEU 27 HB2 LEU 27 4.345 14.651 28.909 205 HB3 LEU 27 HB3 LEU 27 5.118 14.977 30.459 206 HG LEU 27 HG LEU 27 3.772 13.221 31.502 207 HD11 LEU 27 HD11 LEU 27 2.279 13.444 29.049 208 HD12 LEU 27 HD12 LEU 27 1.849 12.639 30.558 209 HD13 LEU 27 HD13 LEU 27 2.780 11.777 29.334 210 HD21 LEU 27 HD21 LEU 27 5.956 12.661 30.562 211 HD22 LEU 27 HD22 LEU 27 5.202 12.305 29.008 212 HD23 LEU 27 HD23 LEU 27 4.832 11.310 30.418 213 H LEU 28 H LEU 28 4.342 17.636 29.184 214 HA LEU 28 HA LEU 28 5.708 18.707 31.410 215 HB2 LEU 28 HB2 LEU 28 6.152 18.986 28.880 216 HB3 LEU 28 HB3 LEU 28 4.996 20.312 28.983 217 HG LEU 28 HG LEU 28 7.074 20.507 31.004 218 HD11 LEU 28 HD11 LEU 28 8.519 19.445 29.444 219 HD12 LEU 28 HD12 LEU 28 8.839 21.177 29.355 220 HD13 LEU 28 HD13 LEU 28 7.874 20.393 28.104 221 HD21 LEU 28 HD21 LEU 28 6.202 22.325 28.760 222 HD22 LEU 28 HD22 LEU 28 7.213 22.778 30.132 223 HD23 LEU 28 HD23 LEU 28 5.533 22.307 30.392 224 H LEU 29 H LEU 29 2.662 19.564 29.837 225 HA LEU 29 HA LEU 29 2.161 21.909 31.326 226 HB2 LEU 29 HB2 LEU 29 0.784 20.271 29.397 227 HB3 LEU 29 HB3 LEU 29 -0.315 20.775 30.680 228 HG LEU 29 HG LEU 29 1.390 22.748 29.186 229 HD11 LEU 29 HD11 LEU 29 0.233 22.004 27.374 230 HD12 LEU 29 HD12 LEU 29 -0.960 23.125 28.029 231 HD13 LEU 29 HD13 LEU 29 -1.112 21.396 28.339 232 HD21 LEU 29 HD21 LEU 29 -0.079 24.364 30.041 233 HD22 LEU 29 HD22 LEU 29 0.240 23.282 31.397 234 HD23 LEU 29 HD23 LEU 29 -1.277 23.156 30.505 235 H VAL 30 H VAL 30 1.028 18.563 31.753 236 HA VAL 30 HA VAL 30 -0.464 19.056 34.099 237 HB VAL 30 HB VAL 30 -0.772 17.040 32.717 238 HG11 VAL 30 HG11 VAL 30 0.809 15.171 32.920 239 HG12 VAL 30 HG12 VAL 30 1.552 16.584 32.169 240 HG13 VAL 30 HG13 VAL 30 1.892 16.200 33.856 241 HG21 VAL 30 HG21 VAL 30 -1.024 15.446 34.556 242 HG22 VAL 30 HG22 VAL 30 0.002 16.454 35.575 243 HG23 VAL 30 HG23 VAL 30 -1.561 17.058 35.027 244 H TYR 31 H TYR 31 2.911 18.311 33.532 245 HA TYR 31 HA TYR 31 3.552 17.708 36.244 246 HB2 TYR 31 HB2 TYR 31 4.945 16.911 34.394 247 HB3 TYR 31 HB3 TYR 31 5.339 18.570 33.959 248 HD1 TYR 31 HD1 TYR 31 5.243 16.871 37.282 249 HD2 TYR 31 HD2 TYR 31 7.604 18.860 34.354 250 HE1 TYR 31 HE1 TYR 31 7.174 16.805 38.803 251 HE2 TYR 31 HE2 TYR 31 9.542 18.799 35.867 252 HH TYR 31 HH TYR 31 9.481 18.470 38.920 253 H ARG 32 H ARG 32 3.848 20.608 34.227 254 HA ARG 32 HA ARG 32 5.126 22.227 36.139 255 HB2 ARG 32 HB2 ARG 32 4.680 22.583 33.574 256 HB3 ARG 32 HB3 ARG 32 3.224 23.390 34.142 257 HG2 ARG 32 HG2 ARG 32 4.951 24.648 35.693 258 HG3 ARG 32 HG3 ARG 32 6.068 24.192 34.404 259 HD2 ARG 32 HD2 ARG 32 3.459 25.408 33.654 260 HD3 ARG 32 HD3 ARG 32 4.706 26.456 34.328 261 HE ARG 32 HE ARG 32 5.986 25.046 32.375 262 HH11 ARG 32 HH11 ARG 32 3.155 27.069 32.493 263 HH12 ARG 32 HH12 ARG 32 3.320 27.619 30.859 264 HH21 ARG 32 HH21 ARG 32 6.213 25.763 30.221 265 HH22 ARG 32 HH22 ARG 32 5.059 26.875 29.567 266 H MET 33 H MET 33 1.710 21.655 35.434 267 HA MET 33 HA MET 33 0.674 23.612 37.185 268 HB2 MET 33 HB2 MET 33 -0.354 21.529 35.490 269 HB3 MET 33 HB3 MET 33 -1.174 21.484 37.045 270 HG2 MET 33 HG2 MET 33 -0.885 24.163 35.902 271 HG3 MET 33 HG3 MET 33 -1.879 23.059 34.954 272 HE1 MET 33 HE1 MET 33 -4.709 23.365 35.568 273 HE2 MET 33 HE2 MET 33 -4.731 24.892 36.450 274 HE3 MET 33 HE3 MET 33 -3.614 24.668 35.103 275 H ARG 34 H ARG 34 2.021 20.488 37.719 276 HA ARG 34 HA ARG 34 0.783 19.658 40.048 277 HB2 ARG 34 HB2 ARG 34 2.620 18.509 38.645 278 HB3 ARG 34 HB3 ARG 34 3.752 19.400 39.653 279 HG2 ARG 34 HG2 ARG 34 3.654 17.682 41.055 280 HG3 ARG 34 HG3 ARG 34 2.035 18.246 41.478 281 HD2 ARG 34 HD2 ARG 34 1.653 16.816 39.141 282 HD3 ARG 34 HD3 ARG 34 2.862 15.877 40.015 283 HE ARG 34 HE ARG 34 0.914 16.466 41.861 284 HH11 ARG 34 HH11 ARG 34 1.060 14.825 38.794 285 HH12 ARG 34 HH12 ARG 34 -0.240 13.741 39.164 286 HH21 ARG 34 HH21 ARG 34 -0.798 15.044 42.361 287 HH22 ARG 34 HH22 ARG 34 -1.297 13.867 41.193 288 H LYS 35 H LYS 35 3.172 22.166 39.570 289 HA LYS 35 HA LYS 35 4.078 22.536 42.168 290 HB2 LYS 35 HB2 LYS 35 4.760 24.715 41.498 291 HB3 LYS 35 HB3 LYS 35 4.909 23.685 40.080 292 HG2 LYS 35 HG2 LYS 35 2.622 24.536 39.397 293 HG3 LYS 35 HG3 LYS 35 2.810 25.749 40.665 294 HD2 LYS 35 HD2 LYS 35 4.824 25.326 38.465 295 HD3 LYS 35 HD3 LYS 35 3.494 26.481 38.353 296 HE2 LYS 35 HE2 LYS 35 4.511 27.951 39.705 297 HE3 LYS 35 HE3 LYS 35 5.035 26.697 40.827 298 HZ1 LYS 35 HZ1 LYS 35 6.665 28.084 39.191 299 HZ2 LYS 35 HZ2 LYS 35 6.420 26.668 38.300 300 HZ3 LYS 35 HZ3 LYS 35 7.037 26.581 39.872 Start of MODEL 2 1 H1 MET 1 H MET 1 0.269 -1.061 2.070 2 HA MET 1 HA MET 1 0.243 -2.115 -0.473 3 HB2 MET 1 HB2 MET 1 -1.164 0.041 -0.819 4 HB3 MET 1 HB3 MET 1 0.385 0.871 -0.749 5 HG2 MET 1 HG2 MET 1 0.394 0.543 -2.959 6 HG3 MET 1 HG3 MET 1 0.945 -1.076 -2.533 7 HE1 MET 1 HE1 MET 1 -0.497 -3.106 -2.326 8 HE2 MET 1 HE2 MET 1 -1.760 -3.399 -3.522 9 HE3 MET 1 HE3 MET 1 -0.130 -2.973 -4.046 10 H GLU 2 H GLU 2 2.297 -2.467 -1.137 11 HA GLU 2 HA GLU 2 4.429 -1.598 0.577 12 HB2 GLU 2 HB2 GLU 2 4.163 -3.874 -0.625 13 HB3 GLU 2 HB3 GLU 2 4.812 -3.041 -2.031 14 HG2 GLU 2 HG2 GLU 2 6.242 -3.003 0.599 15 HG3 GLU 2 HG3 GLU 2 6.427 -4.341 -0.533 16 H GLN 3 H GLN 3 3.282 -0.818 -2.646 17 HA GLN 3 HA GLN 3 5.491 0.598 -3.596 18 HB2 GLN 3 HB2 GLN 3 2.907 0.049 -4.489 19 HB3 GLN 3 HB3 GLN 3 2.977 1.805 -4.405 20 HG2 GLN 3 HG2 GLN 3 5.278 1.401 -5.650 21 HG3 GLN 3 HG3 GLN 3 4.457 -0.076 -6.151 22 HE21 GLN 3 HE21 GLN 3 5.000 3.099 -6.895 23 HE22 GLN 3 HE22 GLN 3 3.686 3.359 -7.986 24 H SER 4 H SER 4 5.442 3.029 -4.021 25 HA SER 4 HA SER 4 5.686 5.127 -3.176 26 HB2 SER 4 HB2 SER 4 3.353 4.791 -1.350 27 HB3 SER 4 HB3 SER 4 3.761 6.134 -2.417 28 HG SER 4 HG SER 4 2.195 5.230 -3.543 29 H THR 5 H THR 5 7.233 3.202 -1.937 30 HA THR 5 HA THR 5 7.121 2.965 0.808 31 HB THR 5 HB THR 5 9.842 3.281 0.291 32 HG1 THR 5 HG1 THR 5 9.730 3.383 -1.877 33 HG21 THR 5 HG21 THR 5 8.330 0.713 -0.125 34 HG22 THR 5 HG22 THR 5 8.534 1.434 1.471 35 HG23 THR 5 HG23 THR 5 9.947 0.939 0.540 36 H GLU 6 H GLU 6 8.474 5.610 -1.117 37 HA GLU 6 HA GLU 6 9.635 7.077 0.956 38 HB2 GLU 6 HB2 GLU 6 9.999 7.547 -1.437 39 HB3 GLU 6 HB3 GLU 6 8.345 8.127 -1.569 40 HG2 GLU 6 HG2 GLU 6 9.386 9.605 0.514 41 HG3 GLU 6 HG3 GLU 6 10.723 9.486 -0.628 42 H VAL 7 H VAL 7 6.354 7.246 -0.393 43 HA VAL 7 HA VAL 7 5.423 9.350 1.217 44 HB VAL 7 HB VAL 7 3.821 7.071 0.046 45 HG11 VAL 7 HG11 VAL 7 3.072 9.227 1.744 46 HG12 VAL 7 HG12 VAL 7 2.374 9.503 0.147 47 HG13 VAL 7 HG13 VAL 7 2.048 7.997 1.006 48 HG21 VAL 7 HG21 VAL 7 4.741 9.694 -1.090 49 HG22 VAL 7 HG22 VAL 7 4.929 8.075 -1.764 50 HG23 VAL 7 HG23 VAL 7 3.339 8.838 -1.733 51 H LEU 8 H LEU 8 5.306 5.835 1.676 52 HA LEU 8 HA LEU 8 3.816 5.839 4.056 53 HB2 LEU 8 HB2 LEU 8 5.306 3.943 2.478 54 HB3 LEU 8 HB3 LEU 8 5.576 3.670 4.198 55 HG LEU 8 HG LEU 8 3.766 2.277 3.322 56 HD11 LEU 8 HD11 LEU 8 3.179 4.380 5.362 57 HD12 LEU 8 HD12 LEU 8 3.486 2.657 5.582 58 HD13 LEU 8 HD13 LEU 8 1.944 3.200 4.921 59 HD21 LEU 8 HD21 LEU 8 2.284 4.853 2.817 60 HD22 LEU 8 HD22 LEU 8 1.716 3.212 2.507 61 HD23 LEU 8 HD23 LEU 8 3.044 3.880 1.557 62 H ALA 9 H ALA 9 7.312 5.936 3.485 63 HA ALA 9 HA ALA 9 8.130 5.779 6.165 64 HB1 ALA 9 HB1 ALA 9 9.543 5.564 4.053 65 HB2 ALA 9 HB2 ALA 9 9.615 7.326 4.064 66 HB3 ALA 9 HB3 ALA 9 10.262 6.409 5.424 67 H ALA 10 H ALA 10 7.369 8.573 4.119 68 HA ALA 10 HA ALA 10 8.081 10.567 5.971 69 HB1 ALA 10 HB1 ALA 10 7.610 11.875 4.245 70 HB2 ALA 10 HB2 ALA 10 7.000 10.468 3.373 71 HB3 ALA 10 HB3 ALA 10 5.902 11.447 4.346 72 H VAL 11 H VAL 11 4.966 8.996 5.304 73 HA VAL 11 HA VAL 11 3.423 10.480 7.119 74 HB VAL 11 HB VAL 11 3.005 7.622 6.232 75 HG11 VAL 11 HG11 VAL 11 0.550 8.396 6.661 76 HG12 VAL 11 HG12 VAL 11 1.551 7.847 8.007 77 HG13 VAL 11 HG13 VAL 11 1.313 9.573 7.730 78 HG21 VAL 11 HG21 VAL 11 2.477 8.424 4.231 79 HG22 VAL 11 HG22 VAL 11 1.261 9.473 4.959 80 HG23 VAL 11 HG23 VAL 11 2.917 10.046 4.764 81 H ILE 12 H ILE 12 5.203 7.441 7.515 82 HA ILE 12 HA ILE 12 4.377 6.878 10.140 83 HB ILE 12 HB ILE 12 6.964 6.147 8.764 84 HG12 ILE 12 HG12 ILE 12 4.708 4.247 9.241 85 HG13 ILE 12 HG13 ILE 12 4.564 5.403 7.921 86 HG21 ILE 12 HG21 ILE 12 6.984 4.288 10.466 87 HG22 ILE 12 HG22 ILE 12 7.327 5.900 11.091 88 HG23 ILE 12 HG23 ILE 12 5.736 5.181 11.334 89 HD11 ILE 12 HD11 ILE 12 6.623 3.251 8.282 90 HD12 ILE 12 HD12 ILE 12 5.437 3.430 6.988 91 HD13 ILE 12 HD13 ILE 12 6.792 4.552 7.104 92 H ALA 13 H ALA 13 7.249 8.592 8.934 93 HA ALA 13 HA ALA 13 8.413 9.131 11.426 94 HB1 ALA 13 HB1 ALA 13 8.850 11.239 9.476 95 HB2 ALA 13 HB2 ALA 13 9.997 10.113 10.203 96 HB3 ALA 13 HB3 ALA 13 9.059 9.627 8.790 97 H GLY 14 H GLY 14 6.080 10.981 9.500 98 HA2 GLY 14 HA2 GLY 14 6.016 13.265 11.158 99 HA3 GLY 14 HA3 GLY 14 4.758 12.781 10.031 100 H GLY 15 H GLY 15 4.156 10.259 11.215 101 HA2 GLY 15 HA2 GLY 15 2.302 11.113 13.194 102 HA3 GLY 15 HA3 GLY 15 2.627 9.449 12.731 103 H VAL 16 H VAL 16 5.362 9.338 13.367 104 HA VAL 16 HA VAL 16 5.224 8.763 16.132 105 HB VAL 16 HB VAL 16 7.691 9.049 14.410 106 HG11 VAL 16 HG11 VAL 16 7.235 7.704 17.070 107 HG12 VAL 16 HG12 VAL 16 8.686 7.502 16.086 108 HG13 VAL 16 HG13 VAL 16 8.276 9.089 16.738 109 HG21 VAL 16 HG21 VAL 16 7.043 7.199 13.368 110 HG22 VAL 16 HG22 VAL 16 7.057 6.344 14.910 111 HG23 VAL 16 HG23 VAL 16 5.579 7.126 14.349 112 H ILE 17 H ILE 17 6.806 11.373 14.316 113 HA ILE 17 HA ILE 17 7.974 12.650 16.540 114 HB ILE 17 HB ILE 17 7.126 13.857 13.904 115 HG12 ILE 17 HG12 ILE 17 9.918 13.062 14.684 116 HG13 ILE 17 HG13 ILE 17 8.811 11.886 13.983 117 HG21 ILE 17 HG21 ILE 17 9.268 15.298 14.785 118 HG22 ILE 17 HG22 ILE 17 7.582 15.784 14.951 119 HG23 ILE 17 HG23 ILE 17 8.401 14.976 16.287 120 HD11 ILE 17 HD11 ILE 17 9.519 12.574 12.002 121 HD12 ILE 17 HD12 ILE 17 8.645 14.078 12.298 122 HD13 ILE 17 HD13 ILE 17 10.356 13.957 12.707 123 H GLY 18 H GLY 18 4.889 13.189 14.861 124 HA2 GLY 18 HA2 GLY 18 4.069 15.414 16.385 125 HA3 GLY 18 HA3 GLY 18 3.006 14.345 15.482 126 H PHE 19 H PHE 19 3.488 11.944 16.823 127 HA PHE 19 HA PHE 19 1.734 12.197 19.016 128 HB2 PHE 19 HB2 PHE 19 3.251 10.023 17.724 129 HB3 PHE 19 HB3 PHE 19 2.887 9.765 19.427 130 HD1 PHE 19 HD1 PHE 19 1.795 8.953 16.329 131 HD2 PHE 19 HD2 PHE 19 0.306 10.667 19.929 132 HE1 PHE 19 HE1 PHE 19 -0.480 8.234 15.727 133 HE2 PHE 19 HE2 PHE 19 -1.970 9.950 19.334 134 HZ PHE 19 HZ PHE 19 -2.366 8.731 17.230 135 H LEU 20 H LEU 20 5.244 11.792 18.818 136 HA LEU 20 HA LEU 20 5.711 11.541 21.587 137 HB2 LEU 20 HB2 LEU 20 7.251 11.689 19.197 138 HB3 LEU 20 HB3 LEU 20 7.925 12.824 20.365 139 HG LEU 20 HG LEU 20 7.365 10.069 21.313 140 HD11 LEU 20 HD11 LEU 20 9.942 9.885 20.364 141 HD12 LEU 20 HD12 LEU 20 9.074 10.654 19.035 142 HD13 LEU 20 HD13 LEU 20 8.520 9.104 19.670 143 HD21 LEU 20 HD21 LEU 20 8.408 12.147 22.539 144 HD22 LEU 20 HD22 LEU 20 9.883 11.602 21.740 145 HD23 LEU 20 HD23 LEU 20 9.020 10.519 22.832 146 H PHE 21 H PHE 21 5.538 14.338 19.446 147 HA PHE 21 HA PHE 21 6.409 16.245 21.354 148 HB2 PHE 21 HB2 PHE 21 5.905 16.299 18.664 149 HB3 PHE 21 HB3 PHE 21 4.539 17.209 19.300 150 HD1 PHE 21 HD1 PHE 21 8.233 16.987 19.790 151 HD2 PHE 21 HD2 PHE 21 4.794 19.477 19.482 152 HE1 PHE 21 HE1 PHE 21 9.662 18.980 19.991 153 HE2 PHE 21 HE2 PHE 21 6.218 21.473 19.680 154 HZ PHE 21 HZ PHE 21 8.655 21.227 19.934 155 H ALA 22 H ALA 22 3.211 15.108 20.352 156 HA ALA 22 HA ALA 22 1.690 16.905 21.890 157 HB1 ALA 22 HB1 ALA 22 0.076 14.741 21.765 158 HB2 ALA 22 HB2 ALA 22 0.285 15.897 20.449 159 HB3 ALA 22 HB3 ALA 22 1.198 14.388 20.450 160 H ILE 23 H ILE 23 2.926 13.661 22.616 161 HA ILE 23 HA ILE 23 1.724 13.442 25.166 162 HB ILE 23 HB ILE 23 4.206 12.081 24.114 163 HG12 ILE 23 HG12 ILE 23 1.483 10.838 24.341 164 HG13 ILE 23 HG13 ILE 23 1.895 11.813 22.935 165 HG21 ILE 23 HG21 ILE 23 2.829 11.975 26.686 166 HG22 ILE 23 HG22 ILE 23 3.066 10.395 25.941 167 HG23 ILE 23 HG23 ILE 23 4.451 11.443 26.244 168 HD11 ILE 23 HD11 ILE 23 2.843 9.138 23.736 169 HD12 ILE 23 HD12 ILE 23 2.514 9.800 22.134 170 HD13 ILE 23 HD13 ILE 23 4.017 10.203 22.963 171 H PHE 24 H PHE 24 4.822 14.711 24.069 172 HA PHE 24 HA PHE 24 5.968 15.040 26.638 173 HB2 PHE 24 HB2 PHE 24 7.027 15.132 24.217 174 HB3 PHE 24 HB3 PHE 24 6.703 16.854 24.380 175 HD1 PHE 24 HD1 PHE 24 8.492 18.102 25.058 176 HD2 PHE 24 HD2 PHE 24 8.081 14.131 26.534 177 HE1 PHE 24 HE1 PHE 24 10.570 18.370 26.349 178 HE2 PHE 24 HE2 PHE 24 10.158 14.393 27.828 179 HZ PHE 24 HZ PHE 24 11.405 16.515 27.737 180 H LEU 25 H LEU 25 4.060 17.154 24.551 181 HA LEU 25 HA LEU 25 4.305 19.480 26.148 182 HB2 LEU 25 HB2 LEU 25 2.827 18.634 23.797 183 HB3 LEU 25 HB3 LEU 25 1.869 19.682 24.842 184 HG LEU 25 HG LEU 25 3.517 21.439 24.661 185 HD11 LEU 25 HD11 LEU 25 5.118 19.304 23.330 186 HD12 LEU 25 HD12 LEU 25 5.605 20.488 24.542 187 HD13 LEU 25 HD13 LEU 25 5.363 20.989 22.869 188 HD21 LEU 25 HD21 LEU 25 3.246 20.553 21.834 189 HD22 LEU 25 HD22 LEU 25 2.947 22.133 22.559 190 HD23 LEU 25 HD23 LEU 25 1.779 20.828 22.774 191 H ILE 26 H ILE 26 1.892 16.894 26.008 192 HA ILE 26 HA ILE 26 0.092 18.013 27.868 193 HB ILE 26 HB ILE 26 0.561 15.106 27.194 194 HG12 ILE 26 HG12 ILE 26 -1.748 16.725 26.202 195 HG13 ILE 26 HG13 ILE 26 -0.184 16.914 25.416 196 HG21 ILE 26 HG21 ILE 26 -1.459 16.495 28.885 197 HG22 ILE 26 HG22 ILE 26 -1.953 15.084 27.951 198 HG23 ILE 26 HG23 ILE 26 -0.652 14.947 29.134 199 HD11 ILE 26 HD11 ILE 26 -1.093 15.281 24.123 200 HD12 ILE 26 HD12 ILE 26 -0.294 14.285 25.341 201 HD13 ILE 26 HD13 ILE 26 -2.027 14.592 25.450 202 H LEU 27 H LEU 27 2.762 15.706 28.258 203 HA LEU 27 HA LEU 27 2.413 15.247 31.010 204 HB2 LEU 27 HB2 LEU 27 4.714 14.968 29.121 205 HB3 LEU 27 HB3 LEU 27 4.955 14.724 30.850 206 HG LEU 27 HG LEU 27 2.959 13.176 29.206 207 HD11 LEU 27 HD11 LEU 27 4.740 11.333 29.593 208 HD12 LEU 27 HD12 LEU 27 5.854 12.689 29.769 209 HD13 LEU 27 HD13 LEU 27 4.952 12.478 28.268 210 HD21 LEU 27 HD21 LEU 27 3.279 11.597 31.194 211 HD22 LEU 27 HD22 LEU 27 2.325 13.058 31.454 212 HD23 LEU 27 HD23 LEU 27 3.996 12.984 32.015 213 H LEU 28 H LEU 28 4.347 17.631 29.250 214 HA LEU 28 HA LEU 28 5.648 18.744 31.484 215 HB2 LEU 28 HB2 LEU 28 5.379 19.309 28.675 216 HB3 LEU 28 HB3 LEU 28 5.289 20.798 29.614 217 HG LEU 28 HG LEU 28 7.526 18.874 30.098 218 HD11 LEU 28 HD11 LEU 28 8.856 19.922 28.384 219 HD12 LEU 28 HD12 LEU 28 7.508 20.961 27.924 220 HD13 LEU 28 HD13 LEU 28 7.411 19.221 27.656 221 HD21 LEU 28 HD21 LEU 28 7.269 20.726 31.629 222 HD22 LEU 28 HD22 LEU 28 7.227 21.870 30.287 223 HD23 LEU 28 HD23 LEU 28 8.706 20.972 30.636 224 H LEU 29 H LEU 29 2.610 19.573 29.866 225 HA LEU 29 HA LEU 29 2.037 21.872 31.396 226 HB2 LEU 29 HB2 LEU 29 0.968 20.925 29.203 227 HB3 LEU 29 HB3 LEU 29 -0.127 20.117 30.323 228 HG LEU 29 HG LEU 29 0.293 23.102 30.249 229 HD11 LEU 29 HD11 LEU 29 -1.288 21.354 28.532 230 HD12 LEU 29 HD12 LEU 29 -0.841 23.047 28.327 231 HD13 LEU 29 HD13 LEU 29 -2.237 22.617 29.316 232 HD21 LEU 29 HD21 LEU 29 -2.040 22.885 31.374 233 HD22 LEU 29 HD22 LEU 29 -0.582 22.623 32.331 234 HD23 LEU 29 HD23 LEU 29 -1.510 21.243 31.741 235 H VAL 30 H VAL 30 1.115 18.471 31.787 236 HA VAL 30 HA VAL 30 -0.559 18.806 34.018 237 HB VAL 30 HB VAL 30 1.117 16.406 33.269 238 HG11 VAL 30 HG11 VAL 30 -0.871 16.898 35.404 239 HG12 VAL 30 HG12 VAL 30 -0.986 15.361 34.545 240 HG13 VAL 30 HG13 VAL 30 0.510 15.803 35.369 241 HG21 VAL 30 HG21 VAL 30 -0.955 17.563 31.863 242 HG22 VAL 30 HG22 VAL 30 -0.395 15.898 31.706 243 HG23 VAL 30 HG23 VAL 30 -1.745 16.277 32.776 244 H TYR 31 H TYR 31 2.911 18.102 33.792 245 HA TYR 31 HA TYR 31 3.337 17.892 36.584 246 HB2 TYR 31 HB2 TYR 31 4.937 17.808 34.173 247 HB3 TYR 31 HB3 TYR 31 5.751 18.726 35.435 248 HD1 TYR 31 HD1 TYR 31 5.620 17.536 37.841 249 HD2 TYR 31 HD2 TYR 31 5.358 15.546 34.090 250 HE1 TYR 31 HE1 TYR 31 6.337 15.440 38.910 251 HE2 TYR 31 HE2 TYR 31 6.074 13.444 35.148 252 HH TYR 31 HH TYR 31 6.998 12.547 37.018 253 H ARG 32 H ARG 32 3.605 20.564 34.288 254 HA ARG 32 HA ARG 32 4.772 22.449 35.998 255 HB2 ARG 32 HB2 ARG 32 4.620 22.794 33.588 256 HB3 ARG 32 HB3 ARG 32 2.866 22.874 33.690 257 HG2 ARG 32 HG2 ARG 32 3.697 25.093 33.484 258 HG3 ARG 32 HG3 ARG 32 3.110 24.886 35.136 259 HD2 ARG 32 HD2 ARG 32 5.130 25.944 35.484 260 HD3 ARG 32 HD3 ARG 32 5.580 24.247 35.644 261 HE ARG 32 HE ARG 32 6.924 24.496 33.821 262 HH11 ARG 32 HH11 ARG 32 4.539 27.031 33.793 263 HH12 ARG 32 HH12 ARG 32 5.223 27.838 32.421 264 HH21 ARG 32 HH21 ARG 32 7.835 25.549 32.015 265 HH22 ARG 32 HH22 ARG 32 7.097 26.994 31.410 266 H MET 33 H MET 33 1.389 21.587 35.454 267 HA MET 33 HA MET 33 0.255 23.647 37.013 268 HB2 MET 33 HB2 MET 33 -0.734 21.685 35.389 269 HB3 MET 33 HB3 MET 33 -1.199 21.089 36.977 270 HG2 MET 33 HG2 MET 33 -1.777 23.893 36.749 271 HG3 MET 33 HG3 MET 33 -2.506 22.998 35.418 272 HE1 MET 33 HE1 MET 33 -3.546 20.837 35.702 273 HE2 MET 33 HE2 MET 33 -4.413 20.239 37.116 274 HE3 MET 33 HE3 MET 33 -5.136 21.489 36.103 275 H ARG 34 H ARG 34 1.841 20.708 37.850 276 HA ARG 34 HA ARG 34 0.682 20.307 40.407 277 HB2 ARG 34 HB2 ARG 34 2.340 18.848 38.831 278 HB3 ARG 34 HB3 ARG 34 3.484 19.461 40.018 279 HG2 ARG 34 HG2 ARG 34 1.452 18.614 41.614 280 HG3 ARG 34 HG3 ARG 34 1.382 17.447 40.291 281 HD2 ARG 34 HD2 ARG 34 2.944 16.383 41.528 282 HD3 ARG 34 HD3 ARG 34 4.033 17.501 40.708 283 HE ARG 34 HE ARG 34 4.453 18.470 42.726 284 HH11 ARG 34 HH11 ARG 34 1.416 16.779 42.923 285 HH12 ARG 34 HH12 ARG 34 1.207 17.083 44.616 286 HH21 ARG 34 HH21 ARG 34 4.190 18.877 44.954 287 HH22 ARG 34 HH22 ARG 34 2.785 18.277 45.770 288 H LYS 35 H LYS 35 3.317 22.276 39.221 289 HA LYS 35 HA LYS 35 4.512 22.862 41.717 290 HB2 LYS 35 HB2 LYS 35 5.075 23.425 39.071 291 HB3 LYS 35 HB3 LYS 35 4.678 25.004 39.734 292 HG2 LYS 35 HG2 LYS 35 6.878 25.009 40.221 293 HG3 LYS 35 HG3 LYS 35 6.323 24.141 41.654 294 HD2 LYS 35 HD2 LYS 35 7.188 22.159 40.955 295 HD3 LYS 35 HD3 LYS 35 6.909 22.516 39.249 296 HE2 LYS 35 HE2 LYS 35 8.914 24.189 40.631 297 HE3 LYS 35 HE3 LYS 35 9.345 22.497 40.388 298 HZ1 LYS 35 HZ1 LYS 35 8.716 22.849 37.997 299 HZ2 LYS 35 HZ2 LYS 35 10.109 23.661 38.507 300 HZ3 LYS 35 HZ3 LYS 35 8.656 24.508 38.324 Start of MODEL 3 1 H1 MET 1 H MET 1 -0.248 2.857 3.942 2 HA MET 1 HA MET 1 -1.644 2.507 1.397 3 HB2 MET 1 HB2 MET 1 0.421 4.519 1.964 4 HB3 MET 1 HB3 MET 1 0.741 3.540 0.539 5 HG2 MET 1 HG2 MET 1 -1.833 4.148 0.100 6 HG3 MET 1 HG3 MET 1 -1.341 5.565 1.025 7 HE1 MET 1 HE1 MET 1 -0.749 7.723 -1.580 8 HE2 MET 1 HE2 MET 1 -0.992 7.359 0.129 9 HE3 MET 1 HE3 MET 1 0.640 7.593 -0.501 10 H GLU 2 H GLU 2 -0.231 1.351 -0.216 11 HA GLU 2 HA GLU 2 1.452 -0.612 1.197 12 HB2 GLU 2 HB2 GLU 2 -0.175 -0.955 -1.328 13 HB3 GLU 2 HB3 GLU 2 0.860 -2.186 -0.619 14 HG2 GLU 2 HG2 GLU 2 -0.972 -1.195 1.349 15 HG3 GLU 2 HG3 GLU 2 -1.845 -1.705 -0.095 16 H GLN 3 H GLN 3 1.162 1.446 -1.630 17 HA GLN 3 HA GLN 3 3.857 0.684 -2.496 18 HB2 GLN 3 HB2 GLN 3 1.525 1.216 -3.919 19 HB3 GLN 3 HB3 GLN 3 2.511 2.652 -4.158 20 HG2 GLN 3 HG2 GLN 3 3.081 1.268 -5.933 21 HG3 GLN 3 HG3 GLN 3 4.391 1.040 -4.775 22 HE21 GLN 3 HE21 GLN 3 4.570 -0.907 -3.677 23 HE22 GLN 3 HE22 GLN 3 3.729 -2.330 -4.179 24 H SER 4 H SER 4 4.731 2.910 -3.758 25 HA SER 4 HA SER 4 5.968 4.781 -3.349 26 HB2 SER 4 HB2 SER 4 3.759 5.807 -1.598 27 HB3 SER 4 HB3 SER 4 4.740 6.675 -2.779 28 HG SER 4 HG SER 4 2.512 5.021 -3.180 29 H THR 5 H THR 5 7.343 3.323 -2.011 30 HA THR 5 HA THR 5 7.213 3.034 0.728 31 HB THR 5 HB THR 5 9.867 3.538 -0.576 32 HG1 THR 5 HG1 THR 5 8.088 1.376 -1.048 33 HG21 THR 5 HG21 THR 5 10.646 1.858 0.911 34 HG22 THR 5 HG22 THR 5 9.005 1.347 1.304 35 HG23 THR 5 HG23 THR 5 9.598 2.912 1.860 36 H GLU 6 H GLU 6 8.560 5.725 -1.137 37 HA GLU 6 HA GLU 6 9.692 7.162 0.972 38 HB2 GLU 6 HB2 GLU 6 9.504 7.523 -1.723 39 HB3 GLU 6 HB3 GLU 6 8.421 8.778 -1.138 40 HG2 GLU 6 HG2 GLU 6 10.093 10.034 -0.352 41 HG3 GLU 6 HG3 GLU 6 10.977 8.645 0.276 42 H VAL 7 H VAL 7 6.421 7.331 -0.402 43 HA VAL 7 HA VAL 7 5.460 9.398 1.238 44 HB VAL 7 HB VAL 7 3.884 7.126 0.020 45 HG11 VAL 7 HG11 VAL 7 3.138 9.462 1.597 46 HG12 VAL 7 HG12 VAL 7 2.281 9.354 0.058 47 HG13 VAL 7 HG13 VAL 7 2.209 8.015 1.205 48 HG21 VAL 7 HG21 VAL 7 5.297 8.468 -1.567 49 HG22 VAL 7 HG22 VAL 7 3.565 8.500 -1.897 50 HG23 VAL 7 HG23 VAL 7 4.339 9.878 -1.115 51 H LEU 8 H LEU 8 5.368 5.874 1.635 52 HA LEU 8 HA LEU 8 3.860 5.824 4.003 53 HB2 LEU 8 HB2 LEU 8 5.536 3.965 2.486 54 HB3 LEU 8 HB3 LEU 8 5.495 3.642 4.219 55 HG LEU 8 HG LEU 8 3.069 3.823 2.433 56 HD11 LEU 8 HD11 LEU 8 3.233 1.642 2.003 57 HD12 LEU 8 HD12 LEU 8 3.686 1.259 3.663 58 HD13 LEU 8 HD13 LEU 8 4.915 1.787 2.514 59 HD21 LEU 8 HD21 LEU 8 3.426 3.095 5.334 60 HD22 LEU 8 HD22 LEU 8 1.957 2.775 4.412 61 HD23 LEU 8 HD23 LEU 8 2.495 4.436 4.667 62 H ALA 9 H ALA 9 7.360 5.955 3.465 63 HA ALA 9 HA ALA 9 8.156 5.762 6.148 64 HB1 ALA 9 HB1 ALA 9 10.267 6.818 5.377 65 HB2 ALA 9 HB2 ALA 9 9.753 5.456 4.380 66 HB3 ALA 9 HB3 ALA 9 9.506 7.107 3.812 67 H ALA 10 H ALA 10 7.388 8.584 4.144 68 HA ALA 10 HA ALA 10 8.064 10.550 6.041 69 HB1 ALA 10 HB1 ALA 10 7.434 11.998 4.456 70 HB2 ALA 10 HB2 ALA 10 7.244 10.572 3.435 71 HB3 ALA 10 HB3 ALA 10 5.847 11.251 4.271 72 H VAL 11 H VAL 11 5.003 8.903 5.345 73 HA VAL 11 HA VAL 11 3.397 10.361 7.133 74 HB VAL 11 HB VAL 11 3.070 7.500 6.218 75 HG11 VAL 11 HG11 VAL 11 1.662 7.727 8.072 76 HG12 VAL 11 HG12 VAL 11 1.240 9.391 7.662 77 HG13 VAL 11 HG13 VAL 11 0.616 8.056 6.692 78 HG21 VAL 11 HG21 VAL 11 1.287 9.413 5.020 79 HG22 VAL 11 HG22 VAL 11 2.966 9.880 4.749 80 HG23 VAL 11 HG23 VAL 11 2.402 8.286 4.247 81 H ILE 12 H ILE 12 5.233 7.356 7.551 82 HA ILE 12 HA ILE 12 4.393 6.799 10.177 83 HB ILE 12 HB ILE 12 6.932 6.050 8.730 84 HG12 ILE 12 HG12 ILE 12 4.789 5.147 7.841 85 HG13 ILE 12 HG13 ILE 12 5.867 3.893 8.445 86 HG21 ILE 12 HG21 ILE 12 6.987 4.240 10.569 87 HG22 ILE 12 HG22 ILE 12 7.575 5.857 10.952 88 HG23 ILE 12 HG23 ILE 12 5.968 5.356 11.478 89 HD11 ILE 12 HD11 ILE 12 4.099 4.801 10.521 90 HD12 ILE 12 HD12 ILE 12 3.195 4.280 9.099 91 HD13 ILE 12 HD13 ILE 12 4.336 3.180 9.871 92 H ALA 13 H ALA 13 7.261 8.517 8.965 93 HA ALA 13 HA ALA 13 8.418 9.075 11.456 94 HB1 ALA 13 HB1 ALA 13 9.549 10.963 10.210 95 HB2 ALA 13 HB2 ALA 13 9.761 9.349 9.531 96 HB3 ALA 13 HB3 ALA 13 8.613 10.470 8.799 97 H GLY 14 H GLY 14 6.084 10.906 9.512 98 HA2 GLY 14 HA2 GLY 14 6.009 13.199 11.158 99 HA3 GLY 14 HA3 GLY 14 4.756 12.706 10.028 100 H GLY 15 H GLY 15 4.156 10.189 11.223 101 HA2 GLY 15 HA2 GLY 15 2.292 11.048 13.190 102 HA3 GLY 15 HA3 GLY 15 2.624 9.382 12.737 103 H VAL 16 H VAL 16 5.356 9.282 13.385 104 HA VAL 16 HA VAL 16 5.209 8.724 16.153 105 HB VAL 16 HB VAL 16 7.691 9.013 14.455 106 HG11 VAL 16 HG11 VAL 16 8.669 8.810 16.469 107 HG12 VAL 16 HG12 VAL 16 7.200 8.202 17.234 108 HG13 VAL 16 HG13 VAL 16 8.232 7.109 16.311 109 HG21 VAL 16 HG21 VAL 16 5.580 7.128 14.288 110 HG22 VAL 16 HG22 VAL 16 7.108 7.143 13.408 111 HG23 VAL 16 HG23 VAL 16 6.989 6.303 14.954 112 H ILE 17 H ILE 17 6.791 11.327 14.328 113 HA ILE 17 HA ILE 17 7.947 12.619 16.549 114 HB ILE 17 HB ILE 17 7.107 13.809 13.903 115 HG12 ILE 17 HG12 ILE 17 9.899 13.027 14.697 116 HG13 ILE 17 HG13 ILE 17 8.798 11.842 14.002 117 HG21 ILE 17 HG21 ILE 17 8.810 14.859 16.142 118 HG22 ILE 17 HG22 ILE 17 8.939 15.472 14.495 119 HG23 ILE 17 HG23 ILE 17 7.416 15.616 15.372 120 HD11 ILE 17 HD11 ILE 17 10.012 14.260 12.748 121 HD12 ILE 17 HD12 ILE 17 9.957 12.596 12.163 122 HD13 ILE 17 HD13 ILE 17 8.504 13.594 12.121 123 H GLY 18 H GLY 18 4.868 13.141 14.855 124 HA2 GLY 18 HA2 GLY 18 4.035 15.372 16.362 125 HA3 GLY 18 HA3 GLY 18 2.979 14.295 15.462 126 H PHE 19 H PHE 19 3.462 11.904 16.820 127 HA PHE 19 HA PHE 19 1.700 12.167 19.005 128 HB2 PHE 19 HB2 PHE 19 3.206 9.993 17.714 129 HB3 PHE 19 HB3 PHE 19 2.885 9.740 19.426 130 HD1 PHE 19 HD1 PHE 19 0.915 8.727 20.028 131 HD2 PHE 19 HD2 PHE 19 1.121 10.802 16.317 132 HE1 PHE 19 HE1 PHE 19 -1.369 7.986 19.490 133 HE2 PHE 19 HE2 PHE 19 -1.163 10.066 15.774 134 HZ PHE 19 HZ PHE 19 -2.411 8.657 17.362 135 H LEU 20 H LEU 20 5.211 11.762 18.825 136 HA LEU 20 HA LEU 20 5.669 11.533 21.596 137 HB2 LEU 20 HB2 LEU 20 7.415 12.436 19.321 138 HB3 LEU 20 HB3 LEU 20 8.002 12.307 20.978 139 HG LEU 20 HG LEU 20 6.870 10.000 19.401 140 HD11 LEU 20 HD11 LEU 20 9.667 9.785 19.927 141 HD12 LEU 20 HD12 LEU 20 9.350 11.293 19.070 142 HD13 LEU 20 HD13 LEU 20 8.820 9.759 18.380 143 HD21 LEU 20 HD21 LEU 20 7.909 8.650 21.157 144 HD22 LEU 20 HD22 LEU 20 6.698 9.749 21.818 145 HD23 LEU 20 HD23 LEU 20 8.414 10.121 21.990 146 H PHE 21 H PHE 21 5.488 14.316 19.438 147 HA PHE 21 HA PHE 21 6.350 16.238 21.335 148 HB2 PHE 21 HB2 PHE 21 5.784 16.256 18.632 149 HB3 PHE 21 HB3 PHE 21 4.489 17.236 19.311 150 HD1 PHE 21 HD1 PHE 21 7.425 17.571 17.732 151 HD2 PHE 21 HD2 PHE 21 5.622 18.752 21.402 152 HE1 PHE 21 HE1 PHE 21 8.956 19.492 17.862 153 HE2 PHE 21 HE2 PHE 21 7.149 20.676 21.537 154 HZ PHE 21 HZ PHE 21 8.819 21.049 19.766 155 H ALA 22 H ALA 22 3.159 15.075 20.344 156 HA ALA 22 HA ALA 22 1.625 16.876 21.861 157 HB1 ALA 22 HB1 ALA 22 0.226 15.840 20.436 158 HB2 ALA 22 HB2 ALA 22 1.153 14.339 20.451 159 HB3 ALA 22 HB3 ALA 22 0.031 14.696 21.763 160 H ILE 23 H ILE 23 2.865 13.640 22.624 161 HA ILE 23 HA ILE 23 1.675 13.459 25.183 162 HB ILE 23 HB ILE 23 4.110 12.068 24.064 163 HG12 ILE 23 HG12 ILE 23 1.952 11.616 22.916 164 HG13 ILE 23 HG13 ILE 23 2.614 10.191 23.711 165 HG21 ILE 23 HG21 ILE 23 3.314 10.412 25.989 166 HG22 ILE 23 HG22 ILE 23 4.490 11.695 26.271 167 HG23 ILE 23 HG23 ILE 23 2.801 11.934 26.718 168 HD11 ILE 23 HD11 ILE 23 1.066 10.505 25.565 169 HD12 ILE 23 HD12 ILE 23 0.407 11.937 24.774 170 HD13 ILE 23 HD13 ILE 23 0.214 10.351 24.029 171 H PHE 24 H PHE 24 4.760 14.722 24.051 172 HA PHE 24 HA PHE 24 5.930 15.073 26.607 173 HB2 PHE 24 HB2 PHE 24 7.066 15.084 24.291 174 HB3 PHE 24 HB3 PHE 24 6.577 16.773 24.209 175 HD1 PHE 24 HD1 PHE 24 8.240 14.452 26.614 176 HD2 PHE 24 HD2 PHE 24 8.119 18.332 24.867 177 HE1 PHE 24 HE1 PHE 24 10.243 15.088 27.895 178 HE2 PHE 24 HE2 PHE 24 10.122 18.973 26.144 179 HZ PHE 24 HZ PHE 24 11.187 17.350 27.660 180 H LEU 25 H LEU 25 3.988 17.160 24.525 181 HA LEU 25 HA LEU 25 4.245 19.503 26.094 182 HB2 LEU 25 HB2 LEU 25 3.197 18.916 23.651 183 HB3 LEU 25 HB3 LEU 25 1.738 19.171 24.606 184 HG LEU 25 HG LEU 25 3.872 21.234 24.757 185 HD11 LEU 25 HD11 LEU 25 3.626 20.616 22.334 186 HD12 LEU 25 HD12 LEU 25 3.240 22.290 22.731 187 HD13 LEU 25 HD13 LEU 25 1.943 21.129 22.451 188 HD21 LEU 25 HD21 LEU 25 1.018 21.866 24.357 189 HD22 LEU 25 HD22 LEU 25 2.194 22.567 25.469 190 HD23 LEU 25 HD23 LEU 25 1.428 21.024 25.852 191 H ILE 26 H ILE 26 1.829 16.915 26.006 192 HA ILE 26 HA ILE 26 0.063 18.047 27.891 193 HB ILE 26 HB ILE 26 0.516 15.169 27.107 194 HG12 ILE 26 HG12 ILE 26 -0.342 16.711 25.351 195 HG13 ILE 26 HG13 ILE 26 -1.489 15.446 25.777 196 HG21 ILE 26 HG21 ILE 26 -0.427 15.113 29.290 197 HG22 ILE 26 HG22 ILE 26 -1.580 16.385 28.891 198 HG23 ILE 26 HG23 ILE 26 -1.735 14.791 28.152 199 HD11 ILE 26 HD11 ILE 26 -2.603 17.578 25.498 200 HD12 ILE 26 HD12 ILE 26 -2.712 17.034 27.172 201 HD13 ILE 26 HD13 ILE 26 -1.566 18.299 26.728 202 H LEU 27 H LEU 27 2.731 15.733 28.241 203 HA LEU 27 HA LEU 27 2.424 15.274 30.998 204 HB2 LEU 27 HB2 LEU 27 4.045 14.310 29.017 205 HB3 LEU 27 HB3 LEU 27 5.178 15.226 30.008 206 HG LEU 27 HG LEU 27 3.647 13.657 31.780 207 HD11 LEU 27 HD11 LEU 27 4.794 11.941 29.595 208 HD12 LEU 27 HD12 LEU 27 3.083 12.359 29.688 209 HD13 LEU 27 HD13 LEU 27 3.839 11.442 30.991 210 HD21 LEU 27 HD21 LEU 27 5.952 12.427 31.861 211 HD22 LEU 27 HD22 LEU 27 5.815 14.098 32.410 212 HD23 LEU 27 HD23 LEU 27 6.467 13.746 30.809 213 H LEU 28 H LEU 28 4.334 17.657 29.209 214 HA LEU 28 HA LEU 28 5.669 18.768 31.424 215 HB2 LEU 28 HB2 LEU 28 5.116 19.586 28.633 216 HB3 LEU 28 HB3 LEU 28 5.576 20.858 29.762 217 HG LEU 28 HG LEU 28 7.248 18.388 29.420 218 HD11 LEU 28 HD11 LEU 28 7.139 19.200 27.211 219 HD12 LEU 28 HD12 LEU 28 8.641 19.836 27.881 220 HD13 LEU 28 HD13 LEU 28 7.227 20.880 27.740 221 HD21 LEU 28 HD21 LEU 28 8.709 19.418 30.762 222 HD22 LEU 28 HD22 LEU 28 7.356 20.458 31.210 223 HD23 LEU 28 HD23 LEU 28 8.490 20.974 29.960 224 H LEU 29 H LEU 29 2.611 19.602 29.848 225 HA LEU 29 HA LEU 29 2.062 21.903 31.384 226 HB2 LEU 29 HB2 LEU 29 0.948 20.846 29.212 227 HB3 LEU 29 HB3 LEU 29 -0.177 20.215 30.412 228 HG LEU 29 HG LEU 29 -0.133 22.821 31.117 229 HD11 LEU 29 HD11 LEU 29 1.387 23.319 29.201 230 HD12 LEU 29 HD12 LEU 29 -0.125 24.226 29.190 231 HD13 LEU 29 HD13 LEU 29 0.082 22.845 28.114 232 HD21 LEU 29 HD21 LEU 29 -1.891 21.828 28.892 233 HD22 LEU 29 HD22 LEU 29 -2.287 22.961 30.185 234 HD23 LEU 29 HD23 LEU 29 -2.052 21.250 30.550 235 H VAL 30 H VAL 30 1.140 18.504 31.789 236 HA VAL 30 HA VAL 30 -0.503 18.843 34.043 237 HB VAL 30 HB VAL 30 1.157 16.439 33.271 238 HG11 VAL 30 HG11 VAL 30 -0.560 16.971 35.543 239 HG12 VAL 30 HG12 VAL 30 -1.114 15.583 34.605 240 HG13 VAL 30 HG13 VAL 30 0.530 15.618 35.245 241 HG21 VAL 30 HG21 VAL 30 -0.379 15.933 31.732 242 HG22 VAL 30 HG22 VAL 30 -1.713 16.316 32.821 243 HG23 VAL 30 HG23 VAL 30 -0.935 17.599 31.895 244 H TYR 31 H TYR 31 2.962 18.131 33.769 245 HA TYR 31 HA TYR 31 3.464 17.865 36.526 246 HB2 TYR 31 HB2 TYR 31 5.026 17.084 34.792 247 HB3 TYR 31 HB3 TYR 31 5.351 18.752 34.332 248 HD1 TYR 31 HD1 TYR 31 7.052 19.957 35.390 249 HD2 TYR 31 HD2 TYR 31 5.605 16.384 37.190 250 HE1 TYR 31 HE1 TYR 31 8.865 20.066 37.049 251 HE2 TYR 31 HE2 TYR 31 7.413 16.483 38.855 252 HH TYR 31 HH TYR 31 9.103 19.070 39.583 253 H ARG 32 H ARG 32 3.926 20.645 34.347 254 HA ARG 32 HA ARG 32 4.850 22.457 36.254 255 HB2 ARG 32 HB2 ARG 32 4.242 22.528 33.540 256 HB3 ARG 32 HB3 ARG 32 3.152 23.710 34.252 257 HG2 ARG 32 HG2 ARG 32 5.483 24.355 35.475 258 HG3 ARG 32 HG3 ARG 32 6.060 23.790 33.906 259 HD2 ARG 32 HD2 ARG 32 5.652 26.180 33.841 260 HD3 ARG 32 HD3 ARG 32 4.510 25.337 32.796 261 HE ARG 32 HE ARG 32 2.799 26.052 34.141 262 HH11 ARG 32 HH11 ARG 32 5.829 26.519 35.789 263 HH12 ARG 32 HH12 ARG 32 5.131 27.424 37.092 264 HH21 ARG 32 HH21 ARG 32 1.867 27.241 35.850 265 HH22 ARG 32 HH22 ARG 32 2.877 27.833 37.126 266 H MET 33 H MET 33 1.551 21.642 35.278 267 HA MET 33 HA MET 33 0.208 23.634 36.718 268 HB2 MET 33 HB2 MET 33 -0.660 21.897 34.970 269 HB3 MET 33 HB3 MET 33 -0.953 20.891 36.382 270 HG2 MET 33 HG2 MET 33 -2.865 21.934 36.731 271 HG3 MET 33 HG3 MET 33 -2.002 23.457 36.931 272 HE1 MET 33 HE1 MET 33 -3.714 25.468 34.509 273 HE2 MET 33 HE2 MET 33 -4.664 24.551 35.678 274 HE3 MET 33 HE3 MET 33 -3.073 25.170 36.125 275 H ARG 34 H ARG 34 1.798 20.765 37.764 276 HA ARG 34 HA ARG 34 0.397 20.412 40.218 277 HB2 ARG 34 HB2 ARG 34 2.169 18.902 38.814 278 HB3 ARG 34 HB3 ARG 34 3.206 19.519 40.094 279 HG2 ARG 34 HG2 ARG 34 1.447 18.704 41.722 280 HG3 ARG 34 HG3 ARG 34 0.727 17.849 40.357 281 HD2 ARG 34 HD2 ARG 34 2.170 16.188 40.647 282 HD3 ARG 34 HD3 ARG 34 3.503 17.301 40.338 283 HE ARG 34 HE ARG 34 3.965 17.294 42.574 284 HH11 ARG 34 HH11 ARG 34 0.724 16.118 42.093 285 HH12 ARG 34 HH12 ARG 34 0.498 15.678 43.754 286 HH21 ARG 34 HH21 ARG 34 3.679 16.719 44.763 287 HH22 ARG 34 HH22 ARG 34 2.179 16.022 45.271 288 H LYS 35 H LYS 35 3.148 22.318 39.206 289 HA LYS 35 HA LYS 35 4.223 22.935 41.722 290 HB2 LYS 35 HB2 LYS 35 4.521 23.860 38.995 291 HB3 LYS 35 HB3 LYS 35 4.584 25.207 40.123 292 HG2 LYS 35 HG2 LYS 35 6.184 22.855 40.871 293 HG3 LYS 35 HG3 LYS 35 6.714 23.718 39.425 294 HD2 LYS 35 HD2 LYS 35 6.061 25.623 41.445 295 HD3 LYS 35 HD3 LYS 35 7.137 24.407 42.139 296 HE2 LYS 35 HE2 LYS 35 7.637 25.963 39.602 297 HE3 LYS 35 HE3 LYS 35 8.379 26.288 41.168 298 HZ1 LYS 35 HZ1 LYS 35 9.300 24.577 39.208 299 HZ2 LYS 35 HZ2 LYS 35 8.735 23.573 40.446 300 HZ3 LYS 35 HZ3 LYS 35 9.905 24.749 40.779 Start of MODEL 4 1 H1 MET 1 H MET 1 -4.129 0.658 0.950 2 HA MET 1 HA MET 1 -2.806 2.357 -1.061 3 HB2 MET 1 HB2 MET 1 -3.739 2.930 1.736 4 HB3 MET 1 HB3 MET 1 -2.475 3.902 0.995 5 HG2 MET 1 HG2 MET 1 -3.895 4.883 -0.482 6 HG3 MET 1 HG3 MET 1 -4.970 3.488 -0.545 7 HE1 MET 1 HE1 MET 1 -4.345 7.009 1.363 8 HE2 MET 1 HE2 MET 1 -4.790 6.437 2.970 9 HE3 MET 1 HE3 MET 1 -3.423 5.712 2.123 10 H GLU 2 H GLU 2 -1.461 0.204 -0.985 11 HA GLU 2 HA GLU 2 0.675 0.557 1.015 12 HB2 GLU 2 HB2 GLU 2 -0.713 -1.612 1.032 13 HB3 GLU 2 HB3 GLU 2 0.141 -2.015 -0.450 14 HG2 GLU 2 HG2 GLU 2 2.245 -1.428 1.053 15 HG3 GLU 2 HG3 GLU 2 1.129 -1.889 2.337 16 H GLN 3 H GLN 3 1.361 2.199 -0.660 17 HA GLN 3 HA GLN 3 3.363 0.968 -2.359 18 HB2 GLN 3 HB2 GLN 3 1.044 2.548 -3.416 19 HB3 GLN 3 HB3 GLN 3 2.592 2.590 -4.249 20 HG2 GLN 3 HG2 GLN 3 2.318 -0.053 -4.005 21 HG3 GLN 3 HG3 GLN 3 0.617 0.408 -4.018 22 HE21 GLN 3 HE21 GLN 3 -0.320 0.710 -5.916 23 HE22 GLN 3 HE22 GLN 3 0.497 0.893 -7.427 24 H SER 4 H SER 4 4.504 2.920 -3.621 25 HA SER 4 HA SER 4 5.965 4.648 -3.357 26 HB2 SER 4 HB2 SER 4 3.918 6.059 -1.674 27 HB3 SER 4 HB3 SER 4 5.006 6.724 -2.893 28 HG SER 4 HG SER 4 3.725 5.913 -4.485 29 H THR 5 H THR 5 7.337 3.343 -2.011 30 HA THR 5 HA THR 5 7.213 3.050 0.728 31 HB THR 5 HB THR 5 9.668 2.789 0.701 32 HG1 THR 5 HG1 THR 5 10.425 4.248 -0.740 33 HG21 THR 5 HG21 THR 5 9.744 0.870 -0.702 34 HG22 THR 5 HG22 THR 5 8.474 1.504 -1.749 35 HG23 THR 5 HG23 THR 5 8.089 0.992 -0.107 36 H GLU 6 H GLU 6 8.551 5.747 -1.136 37 HA GLU 6 HA GLU 6 9.685 7.183 0.973 38 HB2 GLU 6 HB2 GLU 6 9.318 7.566 -1.765 39 HB3 GLU 6 HB3 GLU 6 8.478 8.918 -1.018 40 HG2 GLU 6 HG2 GLU 6 10.482 9.896 -1.038 41 HG3 GLU 6 HG3 GLU 6 10.797 8.905 0.385 42 H VAL 7 H VAL 7 6.411 7.348 -0.394 43 HA VAL 7 HA VAL 7 5.449 9.410 1.251 44 HB VAL 7 HB VAL 7 3.861 7.137 0.051 45 HG11 VAL 7 HG11 VAL 7 2.370 9.505 0.093 46 HG12 VAL 7 HG12 VAL 7 2.126 8.066 1.085 47 HG13 VAL 7 HG13 VAL 7 3.128 9.390 1.681 48 HG21 VAL 7 HG21 VAL 7 5.262 8.390 -1.583 49 HG22 VAL 7 HG22 VAL 7 3.528 8.532 -1.873 50 HG23 VAL 7 HG23 VAL 7 4.408 9.862 -1.119 51 H LEU 8 H LEU 8 5.365 5.886 1.643 52 HA LEU 8 HA LEU 8 3.861 5.829 4.014 53 HB2 LEU 8 HB2 LEU 8 4.923 3.963 2.330 54 HB3 LEU 8 HB3 LEU 8 5.928 3.766 3.765 55 HG LEU 8 HG LEU 8 3.617 3.637 4.995 56 HD11 LEU 8 HD11 LEU 8 2.561 4.133 2.625 57 HD12 LEU 8 HD12 LEU 8 1.770 3.069 3.788 58 HD13 LEU 8 HD13 LEU 8 2.708 2.383 2.461 59 HD21 LEU 8 HD21 LEU 8 4.275 1.537 5.290 60 HD22 LEU 8 HD22 LEU 8 5.465 1.777 4.011 61 HD23 LEU 8 HD23 LEU 8 3.872 1.125 3.623 62 H ALA 9 H ALA 9 7.361 5.968 3.469 63 HA ALA 9 HA ALA 9 8.162 5.773 6.151 64 HB1 ALA 9 HB1 ALA 9 9.581 5.628 4.023 65 HB2 ALA 9 HB2 ALA 9 9.656 7.389 4.112 66 HB3 ALA 9 HB3 ALA 9 10.292 6.411 5.435 67 H ALA 10 H ALA 10 7.385 8.596 4.152 68 HA ALA 10 HA ALA 10 8.061 10.562 6.050 69 HB1 ALA 10 HB1 ALA 10 5.856 10.996 4.083 70 HB2 ALA 10 HB2 ALA 10 7.134 12.097 4.601 71 HB3 ALA 10 HB3 ALA 10 7.509 10.761 3.512 72 H VAL 11 H VAL 11 5.004 8.905 5.360 73 HA VAL 11 HA VAL 11 3.397 10.359 7.151 74 HB VAL 11 HB VAL 11 3.070 7.495 6.245 75 HG11 VAL 11 HG11 VAL 11 1.314 9.372 7.764 76 HG12 VAL 11 HG12 VAL 11 0.589 8.186 6.677 77 HG13 VAL 11 HG13 VAL 11 1.605 7.651 8.017 78 HG21 VAL 11 HG21 VAL 11 1.320 9.459 5.038 79 HG22 VAL 11 HG22 VAL 11 3.018 9.824 4.730 80 HG23 VAL 11 HG23 VAL 11 2.357 8.254 4.274 81 H ILE 12 H ILE 12 5.239 7.358 7.563 82 HA ILE 12 HA ILE 12 4.406 6.797 10.189 83 HB ILE 12 HB ILE 12 6.944 6.054 8.737 84 HG12 ILE 12 HG12 ILE 12 4.802 5.148 7.849 85 HG13 ILE 12 HG13 ILE 12 5.882 3.896 8.451 86 HG21 ILE 12 HG21 ILE 12 7.686 5.729 10.863 87 HG22 ILE 12 HG22 ILE 12 6.062 5.526 11.518 88 HG23 ILE 12 HG23 ILE 12 6.829 4.204 10.638 89 HD11 ILE 12 HD11 ILE 12 4.316 3.160 9.821 90 HD12 ILE 12 HD12 ILE 12 4.156 4.756 10.557 91 HD13 ILE 12 HD13 ILE 12 3.202 4.341 9.132 92 H ALA 13 H ALA 13 7.267 8.521 8.974 93 HA ALA 13 HA ALA 13 8.428 9.080 11.463 94 HB1 ALA 13 HB1 ALA 13 9.809 9.383 9.604 95 HB2 ALA 13 HB2 ALA 13 8.629 10.400 8.777 96 HB3 ALA 13 HB3 ALA 13 9.498 11.021 10.180 97 H GLY 14 H GLY 14 6.087 10.907 9.526 98 HA2 GLY 14 HA2 GLY 14 6.010 13.199 11.173 99 HA3 GLY 14 HA3 GLY 14 4.756 12.704 10.046 100 H GLY 15 H GLY 15 4.163 10.185 11.239 101 HA2 GLY 15 HA2 GLY 15 2.301 11.038 13.210 102 HA3 GLY 15 HA3 GLY 15 2.636 9.374 12.755 103 H VAL 16 H VAL 16 5.369 9.278 13.398 104 HA VAL 16 HA VAL 16 5.228 8.717 16.166 105 HB VAL 16 HB VAL 16 7.698 9.006 14.450 106 HG11 VAL 16 HG11 VAL 16 8.464 9.001 16.645 107 HG12 VAL 16 HG12 VAL 16 7.206 7.888 17.186 108 HG13 VAL 16 HG13 VAL 16 8.539 7.299 16.192 109 HG21 VAL 16 HG21 VAL 16 5.601 7.134 14.278 110 HG22 VAL 16 HG22 VAL 16 7.160 7.094 13.455 111 HG23 VAL 16 HG23 VAL 16 6.968 6.299 15.017 112 H ILE 17 H ILE 17 6.802 11.325 14.341 113 HA ILE 17 HA ILE 17 7.959 12.617 16.561 114 HB ILE 17 HB ILE 17 7.112 13.808 13.918 115 HG12 ILE 17 HG12 ILE 17 9.906 13.030 14.708 116 HG13 ILE 17 HG13 ILE 17 8.806 11.845 14.011 117 HG21 ILE 17 HG21 ILE 17 9.057 15.408 14.585 118 HG22 ILE 17 HG22 ILE 17 7.441 15.664 15.242 119 HG23 ILE 17 HG23 ILE 17 8.677 14.877 16.223 120 HD11 ILE 17 HD11 ILE 17 10.048 12.647 12.210 121 HD12 ILE 17 HD12 ILE 17 8.511 13.506 12.101 122 HD13 ILE 17 HD13 ILE 17 9.932 14.319 12.757 123 H GLY 18 H GLY 18 4.876 13.135 14.873 124 HA2 GLY 18 HA2 GLY 18 4.041 15.363 16.383 125 HA3 GLY 18 HA3 GLY 18 2.985 14.284 15.484 126 H PHE 19 H PHE 19 3.475 11.893 16.839 127 HA PHE 19 HA PHE 19 1.717 12.150 19.027 128 HB2 PHE 19 HB2 PHE 19 3.271 9.970 17.773 129 HB3 PHE 19 HB3 PHE 19 2.847 9.726 19.464 130 HD1 PHE 19 HD1 PHE 19 1.159 8.153 19.491 131 HD2 PHE 19 HD2 PHE 19 0.956 11.370 16.712 132 HE1 PHE 19 HE1 PHE 19 -1.095 7.427 18.821 133 HE2 PHE 19 HE2 PHE 19 -1.298 10.651 16.038 134 HZ PHE 19 HZ PHE 19 -2.327 8.677 17.093 135 H LEU 20 H LEU 20 5.228 11.752 18.840 136 HA LEU 20 HA LEU 20 5.692 11.521 21.610 137 HB2 LEU 20 HB2 LEU 20 7.256 11.816 19.197 138 HB3 LEU 20 HB3 LEU 20 7.941 12.753 20.523 139 HG LEU 20 HG LEU 20 8.087 10.731 21.886 140 HD11 LEU 20 HD11 LEU 20 6.275 9.711 19.941 141 HD12 LEU 20 HD12 LEU 20 6.827 8.965 21.441 142 HD13 LEU 20 HD13 LEU 20 7.727 8.709 19.946 143 HD21 LEU 20 HD21 LEU 20 9.906 9.699 20.737 144 HD22 LEU 20 HD22 LEU 20 9.929 11.417 20.340 145 HD23 LEU 20 HD23 LEU 20 9.306 10.250 19.173 146 H PHE 21 H PHE 21 5.499 14.306 19.456 147 HA PHE 21 HA PHE 21 6.362 16.228 21.354 148 HB2 PHE 21 HB2 PHE 21 5.493 16.210 18.627 149 HB3 PHE 21 HB3 PHE 21 4.605 17.458 19.495 150 HD1 PHE 21 HD1 PHE 21 5.530 19.551 19.558 151 HD2 PHE 21 HD2 PHE 21 8.098 16.174 19.214 152 HE1 PHE 21 HE1 PHE 21 7.475 21.050 19.392 153 HE2 PHE 21 HE2 PHE 21 10.046 17.667 19.049 154 HZ PHE 21 HZ PHE 21 9.736 20.109 19.139 155 H ALA 22 H ALA 22 3.173 15.058 20.366 156 HA ALA 22 HA ALA 22 1.636 16.855 21.886 157 HB1 ALA 22 HB1 ALA 22 1.168 14.320 20.472 158 HB2 ALA 22 HB2 ALA 22 0.046 14.671 21.787 159 HB3 ALA 22 HB3 ALA 22 0.238 15.818 20.461 160 H ILE 23 H ILE 23 2.891 13.625 22.645 161 HA ILE 23 HA ILE 23 1.701 13.435 25.203 162 HB ILE 23 HB ILE 23 4.138 12.053 24.079 163 HG12 ILE 23 HG12 ILE 23 1.978 11.595 22.937 164 HG13 ILE 23 HG13 ILE 23 2.647 10.172 23.728 165 HG21 ILE 23 HG21 ILE 23 2.668 11.668 26.670 166 HG22 ILE 23 HG22 ILE 23 3.648 10.395 25.944 167 HG23 ILE 23 HG23 ILE 23 4.394 11.923 26.413 168 HD11 ILE 23 HD11 ILE 23 0.251 10.316 24.059 169 HD12 ILE 23 HD12 ILE 23 1.104 10.490 25.593 170 HD13 ILE 23 HD13 ILE 23 0.433 11.910 24.791 171 H PHE 24 H PHE 24 4.787 14.698 24.073 172 HA PHE 24 HA PHE 24 5.953 15.055 26.631 173 HB2 PHE 24 HB2 PHE 24 7.240 15.012 24.503 174 HB3 PHE 24 HB3 PHE 24 6.541 16.571 24.081 175 HD1 PHE 24 HD1 PHE 24 8.574 14.884 26.693 176 HD2 PHE 24 HD2 PHE 24 7.588 18.533 24.736 177 HE1 PHE 24 HE1 PHE 24 10.393 16.018 27.900 178 HE2 PHE 24 HE2 PHE 24 9.406 19.673 25.939 179 HZ PHE 24 HZ PHE 24 10.812 18.416 27.522 180 H LEU 25 H LEU 25 4.026 17.145 24.537 181 HA LEU 25 HA LEU 25 4.276 19.486 26.110 182 HB2 LEU 25 HB2 LEU 25 2.402 18.573 23.970 183 HB3 LEU 25 HB3 LEU 25 2.047 20.043 24.875 184 HG LEU 25 HG LEU 25 4.657 19.651 23.436 185 HD11 LEU 25 HD11 LEU 25 1.989 20.361 22.351 186 HD12 LEU 25 HD12 LEU 25 3.335 19.514 21.590 187 HD13 LEU 25 HD13 LEU 25 3.386 21.267 21.769 188 HD21 LEU 25 HD21 LEU 25 4.548 21.413 25.130 189 HD22 LEU 25 HD22 LEU 25 3.144 22.108 24.318 190 HD23 LEU 25 HD23 LEU 25 4.711 22.085 23.508 191 H ILE 26 H ILE 26 1.866 16.895 26.008 192 HA ILE 26 HA ILE 26 0.076 18.027 27.870 193 HB ILE 26 HB ILE 26 0.544 15.115 27.219 194 HG12 ILE 26 HG12 ILE 26 -1.770 16.724 26.222 195 HG13 ILE 26 HG13 ILE 26 -0.210 16.905 25.427 196 HG21 ILE 26 HG21 ILE 26 -1.962 15.089 27.988 197 HG22 ILE 26 HG22 ILE 26 -0.657 14.979 29.168 198 HG23 ILE 26 HG23 ILE 26 -1.475 16.518 28.901 199 HD11 ILE 26 HD11 ILE 26 -1.844 14.399 25.702 200 HD12 ILE 26 HD12 ILE 26 -1.460 15.286 24.226 201 HD13 ILE 26 HD13 ILE 26 -0.188 14.432 25.098 202 H LEU 27 H LEU 27 2.748 15.722 28.263 203 HA LEU 27 HA LEU 27 2.417 15.289 31.021 204 HB2 LEU 27 HB2 LEU 27 4.392 14.694 28.981 205 HB3 LEU 27 HB3 LEU 27 5.135 15.045 30.540 206 HG LEU 27 HG LEU 27 4.725 12.625 30.102 207 HD11 LEU 27 HD11 LEU 27 3.140 13.674 32.436 208 HD12 LEU 27 HD12 LEU 27 4.902 13.647 32.383 209 HD13 LEU 27 HD13 LEU 27 3.994 12.137 32.311 210 HD21 LEU 27 HD21 LEU 27 1.905 12.743 30.786 211 HD22 LEU 27 HD22 LEU 27 2.727 11.819 29.528 212 HD23 LEU 27 HD23 LEU 27 2.253 13.492 29.227 213 H LEU 28 H LEU 28 4.307 17.674 29.223 214 HA LEU 28 HA LEU 28 5.627 18.802 31.448 215 HB2 LEU 28 HB2 LEU 28 6.073 19.067 28.911 216 HB3 LEU 28 HB3 LEU 28 4.896 20.375 29.007 217 HG LEU 28 HG LEU 28 7.218 20.391 30.878 218 HD11 LEU 28 HD11 LEU 28 8.703 21.303 29.318 219 HD12 LEU 28 HD12 LEU 28 7.439 21.523 28.108 220 HD13 LEU 28 HD13 LEU 28 8.011 19.902 28.502 221 HD21 LEU 28 HD21 LEU 28 6.959 22.871 30.344 222 HD22 LEU 28 HD22 LEU 28 5.667 22.106 31.269 223 HD23 LEU 28 HD23 LEU 28 5.451 22.422 29.547 224 H LEU 29 H LEU 29 2.570 19.561 29.847 225 HA LEU 29 HA LEU 29 1.999 21.909 31.306 226 HB2 LEU 29 HB2 LEU 29 0.762 20.350 29.300 227 HB3 LEU 29 HB3 LEU 29 -0.404 20.530 30.608 228 HG LEU 29 HG LEU 29 0.969 22.984 29.661 229 HD11 LEU 29 HD11 LEU 29 0.510 22.111 27.532 230 HD12 LEU 29 HD12 LEU 29 -0.846 23.179 27.891 231 HD13 LEU 29 HD13 LEU 29 -1.034 21.432 28.049 232 HD21 LEU 29 HD21 LEU 29 -0.575 23.237 31.440 233 HD22 LEU 29 HD22 LEU 29 -1.788 22.252 30.621 234 HD23 LEU 29 HD23 LEU 29 -1.375 23.848 29.992 235 H VAL 30 H VAL 30 0.950 18.540 31.765 236 HA VAL 30 HA VAL 30 -0.567 19.021 34.096 237 HB VAL 30 HB VAL 30 -0.820 16.983 32.739 238 HG11 VAL 30 HG11 VAL 30 1.866 16.226 33.887 239 HG12 VAL 30 HG12 VAL 30 0.810 15.158 32.959 240 HG13 VAL 30 HG13 VAL 30 1.515 16.584 32.196 241 HG21 VAL 30 HG21 VAL 30 -1.670 15.943 34.519 242 HG22 VAL 30 HG22 VAL 30 -0.074 15.693 35.227 243 HG23 VAL 30 HG23 VAL 30 -0.931 17.210 35.498 244 H TYR 31 H TYR 31 2.829 18.357 33.557 245 HA TYR 31 HA TYR 31 3.450 17.832 36.299 246 HB2 TYR 31 HB2 TYR 31 4.842 16.970 34.461 247 HB3 TYR 31 HB3 TYR 31 5.272 18.616 34.013 248 HD1 TYR 31 HD1 TYR 31 5.298 16.459 37.072 249 HD2 TYR 31 HD2 TYR 31 7.324 19.374 34.727 250 HE1 TYR 31 HE1 TYR 31 7.202 16.379 38.627 251 HE2 TYR 31 HE2 TYR 31 9.234 19.301 36.275 252 HH TYR 31 HH TYR 31 10.149 18.247 38.021 253 H ARG 32 H ARG 32 3.571 20.661 34.196 254 HA ARG 32 HA ARG 32 4.953 22.383 35.930 255 HB2 ARG 32 HB2 ARG 32 3.362 22.630 33.486 256 HB3 ARG 32 HB3 ARG 32 3.245 24.037 34.534 257 HG2 ARG 32 HG2 ARG 32 5.958 22.977 34.048 258 HG3 ARG 32 HG3 ARG 32 5.143 23.741 32.682 259 HD2 ARG 32 HD2 ARG 32 5.299 25.795 33.582 260 HD3 ARG 32 HD3 ARG 32 4.932 25.217 35.206 261 HE ARG 32 HE ARG 32 7.170 25.186 35.632 262 HH11 ARG 32 HH11 ARG 32 6.698 25.095 32.184 263 HH12 ARG 32 HH12 ARG 32 8.388 25.210 31.819 264 HH21 ARG 32 HH21 ARG 32 9.397 25.338 35.164 265 HH22 ARG 32 HH22 ARG 32 9.922 25.347 33.515 266 H MET 33 H MET 33 1.531 21.588 35.648 267 HA MET 33 HA MET 33 0.561 23.574 37.403 268 HB2 MET 33 HB2 MET 33 -0.519 21.444 35.882 269 HB3 MET 33 HB3 MET 33 -1.056 21.210 37.540 270 HG2 MET 33 HG2 MET 33 -2.356 23.058 37.531 271 HG3 MET 33 HG3 MET 33 -1.284 23.943 36.448 272 HE1 MET 33 HE1 MET 33 -1.579 22.865 33.253 273 HE2 MET 33 HE2 MET 33 -2.812 24.118 33.396 274 HE3 MET 33 HE3 MET 33 -1.335 24.219 34.356 275 H ARG 34 H ARG 34 2.190 20.590 37.943 276 HA ARG 34 HA ARG 34 1.267 20.126 40.601 277 HB2 ARG 34 HB2 ARG 34 2.848 18.757 38.730 278 HB3 ARG 34 HB3 ARG 34 3.904 19.055 40.104 279 HG2 ARG 34 HG2 ARG 34 2.932 17.453 41.283 280 HG3 ARG 34 HG3 ARG 34 1.330 18.135 40.994 281 HD2 ARG 34 HD2 ARG 34 0.928 16.784 39.198 282 HD3 ARG 34 HD3 ARG 34 2.634 16.672 38.765 283 HE ARG 34 HE ARG 34 2.800 14.803 40.071 284 HH11 ARG 34 HH11 ARG 34 -0.109 16.519 40.915 285 HH12 ARG 34 HH12 ARG 34 -0.694 15.274 41.968 286 HH21 ARG 34 HH21 ARG 34 2.041 13.156 41.455 287 HH22 ARG 34 HH22 ARG 34 0.531 13.362 42.276 288 H LYS 35 H LYS 35 3.872 21.972 39.176 289 HA LYS 35 HA LYS 35 5.460 22.365 41.448 290 HB2 LYS 35 HB2 LYS 35 5.506 23.206 38.806 291 HB3 LYS 35 HB3 LYS 35 5.317 24.702 39.710 292 HG2 LYS 35 HG2 LYS 35 7.364 22.831 40.711 293 HG3 LYS 35 HG3 LYS 35 7.690 23.594 39.153 294 HD2 LYS 35 HD2 LYS 35 6.718 25.628 40.825 295 HD3 LYS 35 HD3 LYS 35 7.865 24.705 41.798 296 HE2 LYS 35 HE2 LYS 35 9.467 24.898 39.850 297 HE3 LYS 35 HE3 LYS 35 8.344 26.066 39.157 298 HZ1 LYS 35 HZ1 LYS 35 9.179 26.506 41.916 299 HZ2 LYS 35 HZ2 LYS 35 8.878 27.627 40.685 300 HZ3 LYS 35 HZ3 LYS 35 10.340 26.777 40.716 Start of MODEL 5 1 H1 MET 1 H MET 1 -0.588 -5.517 -1.978 2 HA MET 1 HA MET 1 1.353 -4.634 -0.095 3 HB2 MET 1 HB2 MET 1 1.560 -5.448 -2.615 4 HB3 MET 1 HB3 MET 1 1.451 -3.722 -2.932 5 HG2 MET 1 HG2 MET 1 3.579 -3.450 -2.412 6 HG3 MET 1 HG3 MET 1 3.319 -4.169 -0.824 7 HE1 MET 1 HE1 MET 1 5.670 -4.273 -3.477 8 HE2 MET 1 HE2 MET 1 6.112 -4.527 -1.789 9 HE3 MET 1 HE3 MET 1 6.465 -5.770 -2.990 10 H GLU 2 H GLU 2 2.310 -2.410 -0.172 11 HA GLU 2 HA GLU 2 0.167 -0.394 -0.359 12 HB2 GLU 2 HB2 GLU 2 2.210 -0.933 1.716 13 HB3 GLU 2 HB3 GLU 2 1.911 0.759 1.344 14 HG2 GLU 2 HG2 GLU 2 -0.299 0.655 2.047 15 HG3 GLU 2 HG3 GLU 2 -0.354 -1.103 1.927 16 H GLN 3 H GLN 3 3.549 -1.123 -0.943 17 HA GLN 3 HA GLN 3 5.154 -0.108 -2.198 18 HB2 GLN 3 HB2 GLN 3 2.908 -0.285 -3.745 19 HB3 GLN 3 HB3 GLN 3 3.270 1.433 -3.847 20 HG2 GLN 3 HG2 GLN 3 5.190 1.107 -5.010 21 HG3 GLN 3 HG3 GLN 3 5.512 -0.454 -4.258 22 HE21 GLN 3 HE21 GLN 3 3.053 1.046 -6.336 23 HE22 GLN 3 HE22 GLN 3 2.920 -0.286 -7.428 24 H SER 4 H SER 4 5.440 2.299 -3.411 25 HA SER 4 HA SER 4 6.102 4.430 -2.951 26 HB2 SER 4 HB2 SER 4 3.708 4.797 -1.188 27 HB3 SER 4 HB3 SER 4 4.399 5.899 -2.380 28 HG SER 4 HG SER 4 3.283 4.955 -3.917 29 H THR 5 H THR 5 7.614 2.933 -1.507 30 HA THR 5 HA THR 5 7.475 2.880 1.246 31 HB THR 5 HB THR 5 10.180 3.347 0.716 32 HG1 THR 5 HG1 THR 5 10.588 2.530 -1.240 33 HG21 THR 5 HG21 THR 5 8.810 0.668 0.562 34 HG22 THR 5 HG22 THR 5 9.040 1.541 2.078 35 HG23 THR 5 HG23 THR 5 10.439 1.026 1.135 36 H GLU 6 H GLU 6 8.693 5.467 -0.843 37 HA GLU 6 HA GLU 6 9.719 7.145 1.140 38 HB2 GLU 6 HB2 GLU 6 8.653 7.601 -1.622 39 HB3 GLU 6 HB3 GLU 6 9.053 8.981 -0.607 40 HG2 GLU 6 HG2 GLU 6 11.319 7.734 -0.293 41 HG3 GLU 6 HG3 GLU 6 10.844 6.907 -1.775 42 H VAL 7 H VAL 7 6.465 7.018 -0.279 43 HA VAL 7 HA VAL 7 5.367 9.167 1.149 44 HB VAL 7 HB VAL 7 3.953 6.697 0.133 45 HG11 VAL 7 HG11 VAL 7 2.052 8.482 -0.011 46 HG12 VAL 7 HG12 VAL 7 2.388 7.668 1.518 47 HG13 VAL 7 HG13 VAL 7 2.993 9.300 1.235 48 HG21 VAL 7 HG21 VAL 7 3.479 7.992 -1.859 49 HG22 VAL 7 HG22 VAL 7 4.346 9.378 -1.196 50 HG23 VAL 7 HG23 VAL 7 5.222 7.903 -1.604 51 H LEU 8 H LEU 8 5.461 5.698 1.889 52 HA LEU 8 HA LEU 8 3.935 5.795 4.243 53 HB2 LEU 8 HB2 LEU 8 5.552 3.880 2.834 54 HB3 LEU 8 HB3 LEU 8 5.851 3.772 4.568 55 HG LEU 8 HG LEU 8 3.223 3.706 4.687 56 HD11 LEU 8 HD11 LEU 8 2.946 4.105 2.262 57 HD12 LEU 8 HD12 LEU 8 2.204 2.601 2.807 58 HD13 LEU 8 HD13 LEU 8 3.743 2.562 1.948 59 HD21 LEU 8 HD21 LEU 8 5.146 1.505 4.041 60 HD22 LEU 8 HD22 LEU 8 3.433 1.161 4.287 61 HD23 LEU 8 HD23 LEU 8 4.378 1.903 5.578 62 H ALA 9 H ALA 9 7.419 6.113 3.701 63 HA ALA 9 HA ALA 9 8.196 6.220 6.402 64 HB1 ALA 9 HB1 ALA 9 10.296 6.984 5.635 65 HB2 ALA 9 HB2 ALA 9 9.687 5.897 4.387 66 HB3 ALA 9 HB3 ALA 9 9.599 7.643 4.155 67 H ALA 10 H ALA 10 7.181 8.737 4.139 68 HA ALA 10 HA ALA 10 7.775 10.951 5.782 69 HB1 ALA 10 HB1 ALA 10 5.863 11.993 4.305 70 HB2 ALA 10 HB2 ALA 10 7.433 11.588 3.610 71 HB3 ALA 10 HB3 ALA 10 6.064 10.499 3.389 72 H VAL 11 H VAL 11 4.728 9.185 5.251 73 HA VAL 11 HA VAL 11 3.212 10.696 7.099 74 HB VAL 11 HB VAL 11 2.105 9.393 5.382 75 HG11 VAL 11 HG11 VAL 11 2.082 6.988 5.362 76 HG12 VAL 11 HG12 VAL 11 3.757 7.541 5.333 77 HG13 VAL 11 HG13 VAL 11 3.056 6.926 6.831 78 HG21 VAL 11 HG21 VAL 11 1.216 9.698 7.878 79 HG22 VAL 11 HG22 VAL 11 0.287 8.857 6.637 80 HG23 VAL 11 HG23 VAL 11 1.230 7.936 7.809 81 H ILE 12 H ILE 12 4.999 7.655 7.378 82 HA ILE 12 HA ILE 12 4.193 7.013 9.999 83 HB ILE 12 HB ILE 12 6.650 6.261 8.427 84 HG12 ILE 12 HG12 ILE 12 4.423 4.455 9.330 85 HG13 ILE 12 HG13 ILE 12 4.253 5.434 7.878 86 HG21 ILE 12 HG21 ILE 12 6.584 4.402 10.363 87 HG22 ILE 12 HG22 ILE 12 7.564 5.864 10.454 88 HG23 ILE 12 HG23 ILE 12 6.001 5.799 11.268 89 HD11 ILE 12 HD11 ILE 12 6.634 4.296 7.392 90 HD12 ILE 12 HD12 ILE 12 5.877 3.035 8.367 91 HD13 ILE 12 HD13 ILE 12 5.092 3.601 6.893 92 H ALA 13 H ALA 13 7.077 8.708 8.792 93 HA ALA 13 HA ALA 13 8.272 9.170 11.289 94 HB1 ALA 13 HB1 ALA 13 9.654 9.468 9.430 95 HB2 ALA 13 HB2 ALA 13 8.503 10.540 8.631 96 HB3 ALA 13 HB3 ALA 13 9.398 11.102 10.042 97 H GLY 14 H GLY 14 5.991 11.119 9.396 98 HA2 GLY 14 HA2 GLY 14 5.990 13.373 11.094 99 HA3 GLY 14 HA3 GLY 14 4.718 12.943 9.961 100 H GLY 15 H GLY 15 4.050 10.418 11.105 101 HA2 GLY 15 HA2 GLY 15 2.222 11.289 13.101 102 HA3 GLY 15 HA3 GLY 15 2.500 9.625 12.608 103 H VAL 16 H VAL 16 5.235 9.435 13.237 104 HA VAL 16 HA VAL 16 5.085 8.808 15.989 105 HB VAL 16 HB VAL 16 7.573 9.085 14.297 106 HG11 VAL 16 HG11 VAL 16 8.166 7.154 16.034 107 HG12 VAL 16 HG12 VAL 16 8.458 8.860 16.379 108 HG13 VAL 16 HG13 VAL 16 7.023 8.062 17.024 109 HG21 VAL 16 HG21 VAL 16 6.950 7.266 13.189 110 HG22 VAL 16 HG22 VAL 16 6.788 6.379 14.704 111 HG23 VAL 16 HG23 VAL 16 5.412 7.269 14.052 112 H ILE 17 H ILE 17 6.741 11.412 14.229 113 HA ILE 17 HA ILE 17 7.923 12.617 16.486 114 HB ILE 17 HB ILE 17 7.160 13.825 13.827 115 HG12 ILE 17 HG12 ILE 17 8.818 11.976 13.758 116 HG13 ILE 17 HG13 ILE 17 9.498 13.519 13.253 117 HG21 ILE 17 HG21 ILE 17 9.023 15.483 14.563 118 HG22 ILE 17 HG22 ILE 17 7.377 15.699 15.156 119 HG23 ILE 17 HG23 ILE 17 8.596 14.954 16.190 120 HD11 ILE 17 HD11 ILE 17 11.055 13.410 14.818 121 HD12 ILE 17 HD12 ILE 17 9.852 13.131 16.078 122 HD13 ILE 17 HD13 ILE 17 10.505 11.771 15.165 123 H GLY 18 H GLY 18 4.871 13.267 14.788 124 HA2 GLY 18 HA2 GLY 18 4.095 15.489 16.337 125 HA3 GLY 18 HA3 GLY 18 3.012 14.460 15.410 126 H PHE 19 H PHE 19 3.420 12.030 16.722 127 HA PHE 19 HA PHE 19 1.656 12.300 18.904 128 HB2 PHE 19 HB2 PHE 19 3.152 10.096 17.619 129 HB3 PHE 19 HB3 PHE 19 2.703 9.834 19.301 130 HD1 PHE 19 HD1 PHE 19 0.865 8.477 19.455 131 HD2 PHE 19 HD2 PHE 19 0.994 11.428 16.390 132 HE1 PHE 19 HE1 PHE 19 -1.403 7.838 18.749 133 HE2 PHE 19 HE2 PHE 19 -1.274 10.794 15.680 134 HZ PHE 19 HZ PHE 19 -2.477 8.998 16.860 135 H LEU 20 H LEU 20 5.155 11.795 18.729 136 HA LEU 20 HA LEU 20 5.593 11.495 21.496 137 HB2 LEU 20 HB2 LEU 20 7.133 11.425 19.191 138 HB3 LEU 20 HB3 LEU 20 7.782 12.788 20.099 139 HG LEU 20 HG LEU 20 9.062 10.824 20.609 140 HD11 LEU 20 HD11 LEU 20 7.307 11.135 23.009 141 HD12 LEU 20 HD12 LEU 20 8.284 12.486 22.436 142 HD13 LEU 20 HD13 LEU 20 9.061 10.978 22.916 143 HD21 LEU 20 HD21 LEU 20 7.189 9.215 22.017 144 HD22 LEU 20 HD22 LEU 20 8.161 8.798 20.606 145 HD23 LEU 20 HD23 LEU 20 6.561 9.511 20.396 146 H PHE 21 H PHE 21 5.502 14.327 19.397 147 HA PHE 21 HA PHE 21 6.412 16.183 21.338 148 HB2 PHE 21 HB2 PHE 21 5.523 16.248 18.606 149 HB3 PHE 21 HB3 PHE 21 4.724 17.529 19.512 150 HD1 PHE 21 HD1 PHE 21 5.799 19.546 19.771 151 HD2 PHE 21 HD2 PHE 21 8.106 16.057 18.984 152 HE1 PHE 21 HE1 PHE 21 7.828 20.929 19.605 153 HE2 PHE 21 HE2 PHE 21 10.138 17.434 18.818 154 HZ PHE 21 HZ PHE 21 10.001 19.873 19.130 155 H ALA 22 H ALA 22 3.194 15.133 20.309 156 HA ALA 22 HA ALA 22 1.704 16.947 21.856 157 HB1 ALA 22 HB1 ALA 22 0.048 14.815 21.706 158 HB2 ALA 22 HB2 ALA 22 0.282 15.982 20.404 159 HB3 ALA 22 HB3 ALA 22 1.166 14.456 20.390 160 H ILE 23 H ILE 23 2.854 13.665 22.558 161 HA ILE 23 HA ILE 23 1.643 13.464 25.106 162 HB ILE 23 HB ILE 23 4.043 12.029 23.969 163 HG12 ILE 23 HG12 ILE 23 1.878 11.660 22.805 164 HG13 ILE 23 HG13 ILE 23 2.497 10.201 23.573 165 HG21 ILE 23 HG21 ILE 23 2.757 11.915 26.624 166 HG22 ILE 23 HG22 ILE 23 3.141 10.368 25.872 167 HG23 ILE 23 HG23 ILE 23 4.416 11.553 26.148 168 HD11 ILE 23 HD11 ILE 23 -0.039 11.314 23.842 169 HD12 ILE 23 HD12 ILE 23 0.651 9.983 24.770 170 HD13 ILE 23 HD13 ILE 23 0.777 11.636 25.371 171 H PHE 24 H PHE 24 4.773 14.653 24.017 172 HA PHE 24 HA PHE 24 5.935 14.923 26.587 173 HB2 PHE 24 HB2 PHE 24 6.932 15.066 24.100 174 HB3 PHE 24 HB3 PHE 24 6.759 16.788 24.426 175 HD1 PHE 24 HD1 PHE 24 8.551 13.733 25.257 176 HD2 PHE 24 HD2 PHE 24 8.047 17.853 26.202 177 HE1 PHE 24 HE1 PHE 24 10.667 13.700 26.513 178 HE2 PHE 24 HE2 PHE 24 10.161 17.827 27.459 179 HZ PHE 24 HZ PHE 24 11.475 15.749 27.615 180 H LEU 25 H LEU 25 4.083 17.113 24.527 181 HA LEU 25 HA LEU 25 4.395 19.412 26.150 182 HB2 LEU 25 HB2 LEU 25 3.124 18.736 23.718 183 HB3 LEU 25 HB3 LEU 25 1.901 19.463 24.759 184 HG LEU 25 HG LEU 25 4.521 20.850 24.394 185 HD11 LEU 25 HD11 LEU 25 3.539 20.130 22.140 186 HD12 LEU 25 HD12 LEU 25 3.913 21.838 22.371 187 HD13 LEU 25 HD13 LEU 25 2.245 21.277 22.489 188 HD21 LEU 25 HD21 LEU 25 2.802 21.606 26.036 189 HD22 LEU 25 HD22 LEU 25 1.709 21.897 24.682 190 HD23 LEU 25 HD23 LEU 25 3.214 22.809 24.813 191 H ILE 26 H ILE 26 1.909 16.897 25.981 192 HA ILE 26 HA ILE 26 0.141 18.044 27.853 193 HB ILE 26 HB ILE 26 0.530 15.133 27.148 194 HG12 ILE 26 HG12 ILE 26 -1.732 16.827 26.170 195 HG13 ILE 26 HG13 ILE 26 -0.163 16.979 25.388 196 HG21 ILE 26 HG21 ILE 26 -2.121 15.650 27.923 197 HG22 ILE 26 HG22 ILE 26 -0.917 14.677 28.766 198 HG23 ILE 26 HG23 ILE 26 -1.089 16.390 29.147 199 HD11 ILE 26 HD11 ILE 26 -0.197 14.543 24.962 200 HD12 ILE 26 HD12 ILE 26 -1.830 14.489 25.628 201 HD13 ILE 26 HD13 ILE 26 -1.503 15.422 24.167 202 H LEU 27 H LEU 27 2.747 15.663 28.218 203 HA LEU 27 HA LEU 27 2.384 15.181 30.964 204 HB2 LEU 27 HB2 LEU 27 4.230 14.445 28.921 205 HB3 LEU 27 HB3 LEU 27 5.139 14.965 30.339 206 HG LEU 27 HG LEU 27 3.638 13.320 31.637 207 HD11 LEU 27 HD11 LEU 27 2.338 11.844 30.548 208 HD12 LEU 27 HD12 LEU 27 3.438 11.723 29.176 209 HD13 LEU 27 HD13 LEU 27 2.322 13.083 29.293 210 HD21 LEU 27 HD21 LEU 27 5.124 11.414 30.967 211 HD22 LEU 27 HD22 LEU 27 5.968 12.904 31.391 212 HD23 LEU 27 HD23 LEU 27 5.772 12.452 29.697 213 H LEU 28 H LEU 28 4.382 17.533 29.232 214 HA LEU 28 HA LEU 28 5.710 18.585 31.480 215 HB2 LEU 28 HB2 LEU 28 5.547 19.123 28.691 216 HB3 LEU 28 HB3 LEU 28 5.328 20.639 29.561 217 HG LEU 28 HG LEU 28 7.478 19.994 30.816 218 HD11 LEU 28 HD11 LEU 28 7.926 18.306 28.370 219 HD12 LEU 28 HD12 LEU 28 7.406 17.633 29.914 220 HD13 LEU 28 HD13 LEU 28 8.955 18.467 29.794 221 HD21 LEU 28 HD21 LEU 28 7.033 21.643 28.789 222 HD22 LEU 28 HD22 LEU 28 8.079 20.495 27.951 223 HD23 LEU 28 HD23 LEU 28 8.658 21.327 29.395 224 H LEU 29 H LEU 29 2.697 19.513 29.870 225 HA LEU 29 HA LEU 29 2.183 21.809 31.425 226 HB2 LEU 29 HB2 LEU 29 0.419 19.976 29.830 227 HB3 LEU 29 HB3 LEU 29 -0.225 21.363 30.705 228 HG LEU 29 HG LEU 29 1.840 21.506 28.509 229 HD11 LEU 29 HD11 LEU 29 -1.025 21.257 28.419 230 HD12 LEU 29 HD12 LEU 29 0.141 21.294 27.098 231 HD13 LEU 29 HD13 LEU 29 -0.509 22.801 27.742 232 HD21 LEU 29 HD21 LEU 29 1.093 23.955 28.600 233 HD22 LEU 29 HD22 LEU 29 2.177 23.377 29.865 234 HD23 LEU 29 HD23 LEU 29 0.454 23.563 30.196 235 H VAL 30 H VAL 30 1.172 18.430 31.777 236 HA VAL 30 HA VAL 30 -0.496 18.783 34.010 237 HB VAL 30 HB VAL 30 1.118 16.348 33.235 238 HG11 VAL 30 HG11 VAL 30 -0.992 16.821 35.295 239 HG12 VAL 30 HG12 VAL 30 -0.882 15.249 34.502 240 HG13 VAL 30 HG13 VAL 30 0.495 15.880 35.405 241 HG21 VAL 30 HG21 VAL 30 -1.014 17.596 31.916 242 HG22 VAL 30 HG22 VAL 30 -0.354 15.989 31.608 243 HG23 VAL 30 HG23 VAL 30 -1.706 16.188 32.723 244 H TYR 31 H TYR 31 2.955 17.990 33.779 245 HA TYR 31 HA TYR 31 3.359 17.761 36.580 246 HB2 TYR 31 HB2 TYR 31 4.827 16.920 34.588 247 HB3 TYR 31 HB3 TYR 31 5.556 18.519 34.684 248 HD1 TYR 31 HD1 TYR 31 4.490 15.929 37.170 249 HD2 TYR 31 HD2 TYR 31 7.571 18.520 35.791 250 HE1 TYR 31 HE1 TYR 31 5.953 15.145 38.985 251 HE2 TYR 31 HE2 TYR 31 9.043 17.742 37.602 252 HH TYR 31 HH TYR 31 9.144 15.469 39.044 253 H ARG 32 H ARG 32 3.726 20.401 34.266 254 HA ARG 32 HA ARG 32 4.968 22.240 35.996 255 HB2 ARG 32 HB2 ARG 32 4.797 22.435 33.497 256 HB3 ARG 32 HB3 ARG 32 3.113 22.895 33.705 257 HG2 ARG 32 HG2 ARG 32 3.874 24.987 33.743 258 HG3 ARG 32 HG3 ARG 32 4.399 24.625 35.388 259 HD2 ARG 32 HD2 ARG 32 6.450 25.164 34.692 260 HD3 ARG 32 HD3 ARG 32 6.442 23.616 33.849 261 HE ARG 32 HE ARG 32 5.226 25.481 32.182 262 HH11 ARG 32 HH11 ARG 32 8.351 24.893 33.600 263 HH12 ARG 32 HH12 ARG 32 9.225 25.643 32.305 264 HH21 ARG 32 HH21 ARG 32 6.365 26.471 30.471 265 HH22 ARG 32 HH22 ARG 32 8.094 26.541 30.526 266 H MET 33 H MET 33 1.564 21.575 35.306 267 HA MET 33 HA MET 33 0.501 23.702 36.832 268 HB2 MET 33 HB2 MET 33 -0.519 21.312 35.476 269 HB3 MET 33 HB3 MET 33 -1.441 21.757 36.906 270 HG2 MET 33 HG2 MET 33 -0.764 23.769 34.794 271 HG3 MET 33 HG3 MET 33 -2.166 22.711 34.651 272 HE1 MET 33 HE1 MET 33 -4.692 23.836 35.767 273 HE2 MET 33 HE2 MET 33 -3.838 22.389 36.302 274 HE3 MET 33 HE3 MET 33 -4.415 23.561 37.487 275 H ARG 34 H ARG 34 1.829 20.645 37.696 276 HA ARG 34 HA ARG 34 0.549 20.041 40.069 277 HB2 ARG 34 HB2 ARG 34 2.376 18.729 38.865 278 HB3 ARG 34 HB3 ARG 34 3.527 19.772 39.690 279 HG2 ARG 34 HG2 ARG 34 2.122 18.983 41.806 280 HG3 ARG 34 HG3 ARG 34 1.831 17.596 40.755 281 HD2 ARG 34 HD2 ARG 34 3.769 16.853 41.630 282 HD3 ARG 34 HD3 ARG 34 4.488 17.911 40.417 283 HE ARG 34 HE ARG 34 5.229 19.271 42.100 284 HH11 ARG 34 HH11 ARG 34 2.760 17.159 43.351 285 HH12 ARG 34 HH12 ARG 34 2.998 17.642 44.998 286 HH21 ARG 34 HH21 ARG 34 5.552 19.914 44.264 287 HH22 ARG 34 HH22 ARG 34 4.586 19.210 45.516 288 H LYS 35 H LYS 35 2.933 22.511 39.401 289 HA LYS 35 HA LYS 35 3.822 23.150 41.935 290 HB2 LYS 35 HB2 LYS 35 4.353 25.327 41.084 291 HB3 LYS 35 HB3 LYS 35 4.607 24.168 39.787 292 HG2 LYS 35 HG2 LYS 35 2.289 24.777 38.973 293 HG3 LYS 35 HG3 LYS 35 2.352 26.123 40.113 294 HD2 LYS 35 HD2 LYS 35 4.472 25.638 38.030 295 HD3 LYS 35 HD3 LYS 35 3.051 26.644 37.739 296 HE2 LYS 35 HE2 LYS 35 4.277 27.390 40.220 297 HE3 LYS 35 HE3 LYS 35 5.487 27.388 38.938 298 HZ1 LYS 35 HZ1 LYS 35 4.545 29.524 38.947 299 HZ2 LYS 35 HZ2 LYS 35 2.964 28.933 39.055 300 HZ3 LYS 35 HZ3 LYS 35 3.843 28.741 37.622 Start of MODEL 6 1 H1 MET 1 H MET 1 9.747 11.299 -8.934 2 HA MET 1 HA MET 1 8.657 10.985 -6.962 3 HB2 MET 1 HB2 MET 1 6.593 12.665 -8.381 4 HB3 MET 1 HB3 MET 1 6.389 12.111 -6.724 5 HG2 MET 1 HG2 MET 1 8.849 13.606 -7.514 6 HG3 MET 1 HG3 MET 1 7.348 14.468 -7.187 7 HE1 MET 1 HE1 MET 1 8.233 15.817 -5.701 8 HE2 MET 1 HE2 MET 1 7.459 15.467 -4.156 9 HE3 MET 1 HE3 MET 1 9.218 15.453 -4.284 10 H GLU 2 H GLU 2 8.675 8.803 -8.445 11 HA GLU 2 HA GLU 2 5.927 7.747 -8.309 12 HB2 GLU 2 HB2 GLU 2 7.217 7.879 -10.583 13 HB3 GLU 2 HB3 GLU 2 8.062 6.464 -9.973 14 HG2 GLU 2 HG2 GLU 2 5.999 5.244 -9.795 15 HG3 GLU 2 HG3 GLU 2 5.074 6.675 -10.245 16 H GLN 3 H GLN 3 6.839 7.613 -5.956 17 HA GLN 3 HA GLN 3 7.694 4.845 -5.586 18 HB2 GLN 3 HB2 GLN 3 9.189 7.265 -4.710 19 HB3 GLN 3 HB3 GLN 3 9.131 5.899 -3.604 20 HG2 GLN 3 HG2 GLN 3 10.308 4.519 -5.036 21 HG3 GLN 3 HG3 GLN 3 9.918 5.490 -6.455 22 HE21 GLN 3 HE21 GLN 3 11.624 5.725 -3.356 23 HE22 GLN 3 HE22 GLN 3 12.932 6.684 -3.952 24 H SER 4 H SER 4 6.538 3.847 -4.065 25 HA SER 4 HA SER 4 4.616 5.396 -2.539 26 HB2 SER 4 HB2 SER 4 3.969 3.288 -3.718 27 HB3 SER 4 HB3 SER 4 5.006 2.395 -2.606 28 HG SER 4 HG SER 4 2.640 2.652 -2.107 29 H THR 5 H THR 5 7.384 3.285 -1.953 30 HA THR 5 HA THR 5 7.261 3.003 0.787 31 HB THR 5 HB THR 5 9.908 3.548 -0.509 32 HG1 THR 5 HG1 THR 5 9.693 1.192 -1.121 33 HG21 THR 5 HG21 THR 5 9.807 2.942 1.874 34 HG22 THR 5 HG22 THR 5 10.631 1.709 0.919 35 HG23 THR 5 HG23 THR 5 8.970 1.450 1.450 36 H GLU 6 H GLU 6 8.563 5.710 -1.088 37 HA GLU 6 HA GLU 6 9.674 7.171 1.016 38 HB2 GLU 6 HB2 GLU 6 9.218 7.554 -1.740 39 HB3 GLU 6 HB3 GLU 6 8.490 8.933 -0.928 40 HG2 GLU 6 HG2 GLU 6 10.672 9.214 0.299 41 HG3 GLU 6 HG3 GLU 6 11.347 8.019 -0.807 42 H VAL 7 H VAL 7 6.400 7.284 -0.355 43 HA VAL 7 HA VAL 7 5.406 9.340 1.279 44 HB VAL 7 HB VAL 7 3.854 7.039 0.085 45 HG11 VAL 7 HG11 VAL 7 2.177 7.944 1.256 46 HG12 VAL 7 HG12 VAL 7 3.095 9.408 1.612 47 HG13 VAL 7 HG13 VAL 7 2.238 9.254 0.078 48 HG21 VAL 7 HG21 VAL 7 3.377 9.065 -1.586 49 HG22 VAL 7 HG22 VAL 7 5.006 9.509 -1.076 50 HG23 VAL 7 HG23 VAL 7 4.712 7.936 -1.818 51 H LEU 8 H LEU 8 5.372 5.816 1.687 52 HA LEU 8 HA LEU 8 3.866 5.749 4.056 53 HB2 LEU 8 HB2 LEU 8 5.332 3.913 2.431 54 HB3 LEU 8 HB3 LEU 8 5.745 3.640 4.123 55 HG LEU 8 HG LEU 8 3.034 3.756 4.258 56 HD11 LEU 8 HD11 LEU 8 2.363 2.148 2.364 57 HD12 LEU 8 HD12 LEU 8 3.793 2.763 1.537 58 HD13 LEU 8 HD13 LEU 8 2.500 3.869 2.000 59 HD21 LEU 8 HD21 LEU 8 3.183 1.571 4.889 60 HD22 LEU 8 HD22 LEU 8 4.892 2.003 4.950 61 HD23 LEU 8 HD23 LEU 8 4.249 1.139 3.552 62 H ALA 9 H ALA 9 7.363 5.934 3.514 63 HA ALA 9 HA ALA 9 8.164 5.763 6.198 64 HB1 ALA 9 HB1 ALA 9 9.501 7.152 3.879 65 HB2 ALA 9 HB2 ALA 9 10.264 6.813 5.433 66 HB3 ALA 9 HB3 ALA 9 9.747 5.483 4.395 67 H ALA 10 H ALA 10 7.350 8.565 4.186 68 HA ALA 10 HA ALA 10 7.996 10.548 6.076 69 HB1 ALA 10 HB1 ALA 10 5.762 11.101 4.228 70 HB2 ALA 10 HB2 ALA 10 7.232 12.024 4.545 71 HB3 ALA 10 HB3 ALA 10 7.287 10.612 3.489 72 H VAL 11 H VAL 11 4.962 8.848 5.389 73 HA VAL 11 HA VAL 11 3.334 10.287 7.173 74 HB VAL 11 HB VAL 11 3.047 7.414 6.280 75 HG11 VAL 11 HG11 VAL 11 0.660 7.734 6.811 76 HG12 VAL 11 HG12 VAL 11 1.693 7.858 8.237 77 HG13 VAL 11 HG13 VAL 11 1.043 9.317 7.488 78 HG21 VAL 11 HG21 VAL 11 2.330 8.153 4.305 79 HG22 VAL 11 HG22 VAL 11 1.272 9.345 5.058 80 HG23 VAL 11 HG23 VAL 11 2.965 9.736 4.755 81 H ILE 12 H ILE 12 5.217 7.313 7.599 82 HA ILE 12 HA ILE 12 4.389 6.751 10.227 83 HB ILE 12 HB ILE 12 6.939 6.038 8.781 84 HG12 ILE 12 HG12 ILE 12 4.810 5.098 7.895 85 HG13 ILE 12 HG13 ILE 12 5.908 3.864 8.502 86 HG21 ILE 12 HG21 ILE 12 6.118 5.601 11.574 87 HG22 ILE 12 HG22 ILE 12 6.747 4.186 10.732 88 HG23 ILE 12 HG23 ILE 12 7.727 5.647 10.855 89 HD11 ILE 12 HD11 ILE 12 3.236 4.175 9.142 90 HD12 ILE 12 HD12 ILE 12 4.408 3.144 9.964 91 HD13 ILE 12 HD13 ILE 12 4.099 4.776 10.558 92 H ALA 13 H ALA 13 7.228 8.510 9.007 93 HA ALA 13 HA ALA 13 8.378 9.095 11.496 94 HB1 ALA 13 HB1 ALA 13 9.749 9.404 9.625 95 HB2 ALA 13 HB2 ALA 13 8.560 10.421 8.809 96 HB3 ALA 13 HB3 ALA 13 9.432 11.037 10.213 97 H GLY 14 H GLY 14 6.014 10.882 9.548 98 HA2 GLY 14 HA2 GLY 14 5.903 13.179 11.186 99 HA3 GLY 14 HA3 GLY 14 4.657 12.662 10.059 100 H GLY 15 H GLY 15 4.098 10.140 11.263 101 HA2 GLY 15 HA2 GLY 15 2.222 10.975 13.229 102 HA3 GLY 15 HA3 GLY 15 2.580 9.314 12.781 103 H VAL 16 H VAL 16 5.314 9.259 13.426 104 HA VAL 16 HA VAL 16 5.178 8.707 16.196 105 HB VAL 16 HB VAL 16 7.642 9.020 14.475 106 HG11 VAL 16 HG11 VAL 16 7.188 8.173 17.270 107 HG12 VAL 16 HG12 VAL 16 8.326 7.209 16.326 108 HG13 VAL 16 HG13 VAL 16 8.592 8.941 16.529 109 HG21 VAL 16 HG21 VAL 16 5.581 7.139 14.278 110 HG22 VAL 16 HG22 VAL 16 7.176 7.061 13.529 111 HG23 VAL 16 HG23 VAL 16 6.903 6.310 15.101 112 H ILE 17 H ILE 17 6.717 11.329 14.362 113 HA ILE 17 HA ILE 17 7.853 12.647 16.579 114 HB ILE 17 HB ILE 17 6.993 13.815 13.929 115 HG12 ILE 17 HG12 ILE 17 9.797 13.078 14.727 116 HG13 ILE 17 HG13 ILE 17 8.714 11.876 14.033 117 HG21 ILE 17 HG21 ILE 17 7.327 15.714 15.140 118 HG22 ILE 17 HG22 ILE 17 8.431 14.933 16.271 119 HG23 ILE 17 HG23 ILE 17 8.994 15.392 14.664 120 HD11 ILE 17 HD11 ILE 17 9.959 12.694 12.236 121 HD12 ILE 17 HD12 ILE 17 8.401 13.512 12.112 122 HD13 ILE 17 HD13 ILE 17 9.796 14.367 12.770 123 H GLY 18 H GLY 18 4.766 13.114 14.884 124 HA2 GLY 18 HA2 GLY 18 3.897 15.337 16.382 125 HA3 GLY 18 HA3 GLY 18 2.858 14.238 15.488 126 H PHE 19 H PHE 19 3.380 11.862 16.856 127 HA PHE 19 HA PHE 19 1.617 12.107 19.042 128 HB2 PHE 19 HB2 PHE 19 2.225 10.039 17.555 129 HB3 PHE 19 HB3 PHE 19 3.474 9.771 18.766 130 HD1 PHE 19 HD1 PHE 19 2.962 8.360 20.494 131 HD2 PHE 19 HD2 PHE 19 -0.174 10.550 18.627 132 HE1 PHE 19 HE1 PHE 19 1.320 7.234 21.939 133 HE2 PHE 19 HE2 PHE 19 -1.821 9.428 20.070 134 HZ PHE 19 HZ PHE 19 -1.075 7.768 21.729 135 H LEU 20 H LEU 20 5.133 11.750 18.857 136 HA LEU 20 HA LEU 20 5.597 11.540 21.629 137 HB2 LEU 20 HB2 LEU 20 7.149 11.153 19.545 138 HB3 LEU 20 HB3 LEU 20 7.582 12.839 19.823 139 HG LEU 20 HG LEU 20 8.206 12.173 22.174 140 HD11 LEU 20 HD11 LEU 20 6.861 9.933 21.796 141 HD12 LEU 20 HD12 LEU 20 8.263 10.002 22.863 142 HD13 LEU 20 HD13 LEU 20 8.432 9.367 21.226 143 HD21 LEU 20 HD21 LEU 20 9.647 11.112 19.762 144 HD22 LEU 20 HD22 LEU 20 10.323 10.986 21.386 145 HD23 LEU 20 HD23 LEU 20 9.980 12.572 20.694 146 H PHE 21 H PHE 21 5.348 14.304 19.460 147 HA PHE 21 HA PHE 21 6.200 16.249 21.345 148 HB2 PHE 21 HB2 PHE 21 5.567 16.228 18.630 149 HB3 PHE 21 HB3 PHE 21 4.349 17.274 19.354 150 HD1 PHE 21 HD1 PHE 21 8.031 16.699 19.388 151 HD2 PHE 21 HD2 PHE 21 4.838 19.501 19.658 152 HE1 PHE 21 HE1 PHE 21 9.658 18.543 19.448 153 HE2 PHE 21 HE2 PHE 21 6.460 21.349 19.717 154 HZ PHE 21 HZ PHE 21 8.874 20.872 19.611 155 H ALA 22 H ALA 22 3.032 15.020 20.371 156 HA ALA 22 HA ALA 22 1.466 16.818 21.864 157 HB1 ALA 22 HB1 ALA 22 1.038 14.261 20.477 158 HB2 ALA 22 HB2 ALA 22 -0.089 14.605 21.790 159 HB3 ALA 22 HB3 ALA 22 0.082 15.744 20.454 160 H ILE 23 H ILE 23 2.708 13.584 22.657 161 HA ILE 23 HA ILE 23 1.543 13.463 25.235 162 HB ILE 23 HB ILE 23 2.307 11.454 24.054 163 HG12 ILE 23 HG12 ILE 23 4.095 11.299 26.367 164 HG13 ILE 23 HG13 ILE 23 2.526 11.998 26.751 165 HG21 ILE 23 HG21 ILE 23 4.690 10.922 23.913 166 HG22 ILE 23 HG22 ILE 23 4.301 12.382 23.004 167 HG23 ILE 23 HG23 ILE 23 5.084 12.506 24.580 168 HD11 ILE 23 HD11 ILE 23 1.552 9.963 25.535 169 HD12 ILE 23 HD12 ILE 23 3.165 9.270 25.709 170 HD13 ILE 23 HD13 ILE 23 2.244 9.731 27.140 171 H PHE 24 H PHE 24 4.595 14.702 24.022 172 HA PHE 24 HA PHE 24 5.825 15.042 26.565 173 HB2 PHE 24 HB2 PHE 24 6.431 15.726 23.773 174 HB3 PHE 24 HB3 PHE 24 7.054 16.883 24.944 175 HD1 PHE 24 HD1 PHE 24 8.057 14.284 23.066 176 HD2 PHE 24 HD2 PHE 24 7.959 15.422 27.166 177 HE1 PHE 24 HE1 PHE 24 9.957 12.788 23.523 178 HE2 PHE 24 HE2 PHE 24 9.859 13.930 27.629 179 HZ PHE 24 HZ PHE 24 10.861 12.610 25.807 180 H LEU 25 H LEU 25 3.879 17.110 24.477 181 HA LEU 25 HA LEU 25 4.226 19.495 25.965 182 HB2 LEU 25 HB2 LEU 25 2.618 18.574 23.725 183 HB3 LEU 25 HB3 LEU 25 1.748 19.703 24.762 184 HG LEU 25 HG LEU 25 4.035 21.068 24.453 185 HD11 LEU 25 HD11 LEU 25 5.214 19.637 23.032 186 HD12 LEU 25 HD12 LEU 25 4.547 20.865 21.957 187 HD13 LEU 25 HD13 LEU 25 3.787 19.277 22.059 188 HD21 LEU 25 HD21 LEU 25 1.753 21.029 22.480 189 HD22 LEU 25 HD22 LEU 25 2.881 22.360 22.740 190 HD23 LEU 25 HD23 LEU 25 1.767 21.883 24.023 191 H ILE 26 H ILE 26 1.695 17.007 25.975 192 HA ILE 26 HA ILE 26 0.064 18.231 27.926 193 HB ILE 26 HB ILE 26 -0.826 16.486 26.503 194 HG12 ILE 26 HG12 ILE 26 -1.929 15.091 28.217 195 HG13 ILE 26 HG13 ILE 26 -0.744 15.625 29.404 196 HG21 ILE 26 HG21 ILE 26 0.952 14.540 27.962 197 HG22 ILE 26 HG22 ILE 26 -0.139 14.197 26.621 198 HG23 ILE 26 HG23 ILE 26 1.297 15.186 26.358 199 HD11 ILE 26 HD11 ILE 26 -3.140 16.740 29.156 200 HD12 ILE 26 HD12 ILE 26 -1.715 17.650 29.659 201 HD13 ILE 26 HD13 ILE 26 -2.263 17.725 27.985 202 H LEU 27 H LEU 27 2.645 15.815 28.161 203 HA LEU 27 HA LEU 27 2.402 15.308 30.916 204 HB2 LEU 27 HB2 LEU 27 4.359 14.789 28.801 205 HB3 LEU 27 HB3 LEU 27 5.063 14.937 30.410 206 HG LEU 27 HG LEU 27 3.744 13.104 31.221 207 HD11 LEU 27 HD11 LEU 27 2.173 11.897 29.822 208 HD12 LEU 27 HD12 LEU 27 2.471 13.013 28.490 209 HD13 LEU 27 HD13 LEU 27 1.694 13.588 29.965 210 HD21 LEU 27 HD21 LEU 27 5.092 11.555 30.339 211 HD22 LEU 27 HD22 LEU 27 5.755 12.874 29.373 212 HD23 LEU 27 HD23 LEU 27 4.496 11.836 28.703 213 H LEU 28 H LEU 28 4.344 17.662 29.120 214 HA LEU 28 HA LEU 28 5.761 18.689 31.327 215 HB2 LEU 28 HB2 LEU 28 6.057 19.016 28.742 216 HB3 LEU 28 HB3 LEU 28 5.025 20.419 29.011 217 HG LEU 28 HG LEU 28 7.387 21.031 28.984 218 HD11 LEU 28 HD11 LEU 28 6.549 21.296 31.837 219 HD12 LEU 28 HD12 LEU 28 5.592 22.056 30.566 220 HD13 LEU 28 HD13 LEU 28 7.290 22.486 30.766 221 HD21 LEU 28 HD21 LEU 28 7.954 18.686 30.069 222 HD22 LEU 28 HD22 LEU 28 7.876 19.628 31.558 223 HD23 LEU 28 HD23 LEU 28 9.006 20.086 30.283 224 H LEU 29 H LEU 29 2.709 19.656 29.815 225 HA LEU 29 HA LEU 29 2.268 21.954 31.385 226 HB2 LEU 29 HB2 LEU 29 0.856 20.430 29.408 227 HB3 LEU 29 HB3 LEU 29 -0.233 20.843 30.731 228 HG LEU 29 HG LEU 29 1.299 23.146 29.907 229 HD11 LEU 29 HD11 LEU 29 0.062 23.358 27.697 230 HD12 LEU 29 HD12 LEU 29 -0.176 21.613 27.787 231 HD13 LEU 29 HD13 LEU 29 1.457 22.279 27.731 232 HD21 LEU 29 HD21 LEU 29 -1.197 23.829 29.408 233 HD22 LEU 29 HD22 LEU 29 -0.606 23.661 31.061 234 HD23 LEU 29 HD23 LEU 29 -1.540 22.359 30.322 235 H VAL 30 H VAL 30 1.235 18.586 31.779 236 HA VAL 30 HA VAL 30 -0.342 18.963 34.074 237 HB VAL 30 HB VAL 30 1.202 16.508 33.227 238 HG11 VAL 30 HG11 VAL 30 0.667 16.187 35.493 239 HG12 VAL 30 HG12 VAL 30 -0.922 16.933 35.310 240 HG13 VAL 30 HG13 VAL 30 -0.602 15.350 34.599 241 HG21 VAL 30 HG21 VAL 30 -1.689 16.517 32.878 242 HG22 VAL 30 HG22 VAL 30 -0.876 17.758 31.924 243 HG23 VAL 30 HG23 VAL 30 -0.414 16.065 31.747 244 H TYR 31 H TYR 31 3.085 18.119 33.710 245 HA TYR 31 HA TYR 31 3.607 17.860 36.482 246 HB2 TYR 31 HB2 TYR 31 5.006 17.007 34.499 247 HB3 TYR 31 HB3 TYR 31 5.670 18.635 34.430 248 HD1 TYR 31 HD1 TYR 31 6.980 19.514 36.353 249 HD2 TYR 31 HD2 TYR 31 5.697 15.462 36.174 250 HE1 TYR 31 HE1 TYR 31 8.618 18.925 38.091 251 HE2 TYR 31 HE2 TYR 31 7.331 14.861 37.912 252 HH TYR 31 HH TYR 31 9.869 16.505 38.695 253 H ARG 32 H ARG 32 3.753 20.558 34.231 254 HA ARG 32 HA ARG 32 5.123 22.382 35.869 255 HB2 ARG 32 HB2 ARG 32 3.653 22.447 33.375 256 HB3 ARG 32 HB3 ARG 32 3.322 23.881 34.338 257 HG2 ARG 32 HG2 ARG 32 5.881 24.037 34.585 258 HG3 ARG 32 HG3 ARG 32 5.923 22.926 33.215 259 HD2 ARG 32 HD2 ARG 32 5.076 24.473 31.759 260 HD3 ARG 32 HD3 ARG 32 4.186 25.329 33.018 261 HE ARG 32 HE ARG 32 6.871 25.714 33.555 262 HH11 ARG 32 HH11 ARG 32 4.643 26.437 30.980 263 HH12 ARG 32 HH12 ARG 32 5.483 27.867 30.479 264 HH21 ARG 32 HH21 ARG 32 7.986 27.595 32.905 265 HH22 ARG 32 HH22 ARG 32 7.385 28.524 31.574 266 H MET 33 H MET 33 1.684 21.623 35.564 267 HA MET 33 HA MET 33 0.714 23.681 37.221 268 HB2 MET 33 HB2 MET 33 -0.363 21.485 35.796 269 HB3 MET 33 HB3 MET 33 -0.916 21.332 37.459 270 HG2 MET 33 HG2 MET 33 -2.546 22.574 36.269 271 HG3 MET 33 HG3 MET 33 -1.702 23.691 37.340 272 HE1 MET 33 HE1 MET 33 -2.354 25.995 35.989 273 HE2 MET 33 HE2 MET 33 -2.573 25.908 34.241 274 HE3 MET 33 HE3 MET 33 -3.479 24.825 35.299 275 H ARG 34 H ARG 34 2.320 20.719 37.929 276 HA ARG 34 HA ARG 34 1.382 20.138 40.483 277 HB2 ARG 34 HB2 ARG 34 3.180 18.980 38.887 278 HB3 ARG 34 HB3 ARG 34 4.293 19.831 39.950 279 HG2 ARG 34 HG2 ARG 34 4.046 17.689 40.871 280 HG3 ARG 34 HG3 ARG 34 3.062 18.751 41.880 281 HD2 ARG 34 HD2 ARG 34 1.055 17.999 40.870 282 HD3 ARG 34 HD3 ARG 34 1.931 17.185 39.575 283 HE ARG 34 HE ARG 34 2.700 16.082 42.041 284 HH11 ARG 34 HH11 ARG 34 -0.042 16.224 39.901 285 HH12 ARG 34 HH12 ARG 34 -0.672 14.688 40.395 286 HH21 ARG 34 HH21 ARG 34 1.880 14.058 42.700 287 HH22 ARG 34 HH22 ARG 34 0.421 13.457 41.988 288 H LYS 35 H LYS 35 3.631 22.584 39.394 289 HA LYS 35 HA LYS 35 4.876 23.272 41.774 290 HB2 LYS 35 HB2 LYS 35 5.388 25.368 40.772 291 HB3 LYS 35 HB3 LYS 35 5.363 24.184 39.471 292 HG2 LYS 35 HG2 LYS 35 2.897 24.948 39.178 293 HG3 LYS 35 HG3 LYS 35 3.427 26.372 40.075 294 HD2 LYS 35 HD2 LYS 35 5.085 25.450 37.782 295 HD3 LYS 35 HD3 LYS 35 3.560 26.269 37.437 296 HE2 LYS 35 HE2 LYS 35 4.253 28.197 38.697 297 HE3 LYS 35 HE3 LYS 35 5.713 27.370 39.238 298 HZ1 LYS 35 HZ1 LYS 35 5.088 28.047 36.415 299 HZ2 LYS 35 HZ2 LYS 35 6.511 27.325 36.977 300 HZ3 LYS 35 HZ3 LYS 35 6.142 28.918 37.412 Start of MODEL 7 1 H1 MET 1 H MET 1 13.718 9.275 -7.074 2 HA MET 1 HA MET 1 12.390 7.242 -7.579 3 HB2 MET 1 HB2 MET 1 12.991 5.178 -6.466 4 HB3 MET 1 HB3 MET 1 14.367 5.763 -7.392 5 HG2 MET 1 HG2 MET 1 15.597 5.557 -5.570 6 HG3 MET 1 HG3 MET 1 14.669 6.873 -4.855 7 HE1 MET 1 HE1 MET 1 14.788 3.232 -5.680 8 HE2 MET 1 HE2 MET 1 14.159 2.389 -4.264 9 HE3 MET 1 HE3 MET 1 13.046 3.062 -5.456 10 H GLU 2 H GLU 2 10.554 6.947 -6.390 11 HA GLU 2 HA GLU 2 10.597 7.859 -3.593 12 HB2 GLU 2 HB2 GLU 2 8.797 8.729 -5.827 13 HB3 GLU 2 HB3 GLU 2 8.202 8.732 -4.172 14 HG2 GLU 2 HG2 GLU 2 9.496 10.481 -3.558 15 HG3 GLU 2 HG3 GLU 2 10.808 10.039 -4.649 16 H GLN 3 H GLN 3 8.033 6.688 -5.759 17 HA GLN 3 HA GLN 3 6.635 4.896 -5.643 18 HB2 GLN 3 HB2 GLN 3 9.143 3.893 -4.952 19 HB3 GLN 3 HB3 GLN 3 8.071 3.294 -3.693 20 HG2 GLN 3 HG2 GLN 3 6.795 2.067 -5.176 21 HG3 GLN 3 HG3 GLN 3 7.304 3.026 -6.565 22 HE21 GLN 3 HE21 GLN 3 7.847 1.145 -7.698 23 HE22 GLN 3 HE22 GLN 3 9.282 0.253 -7.340 24 H SER 4 H SER 4 5.837 3.224 -3.656 25 HA SER 4 HA SER 4 4.314 4.968 -1.996 26 HB2 SER 4 HB2 SER 4 3.415 2.875 -1.017 27 HB3 SER 4 HB3 SER 4 3.372 2.859 -2.780 28 HG SER 4 HG SER 4 5.270 1.594 -2.741 29 H THR 5 H THR 5 7.318 3.312 -1.641 30 HA THR 5 HA THR 5 7.451 3.110 1.160 31 HB THR 5 HB THR 5 9.047 1.924 -0.216 32 HG1 THR 5 HG1 THR 5 9.956 2.311 1.733 33 HG21 THR 5 HG21 THR 5 10.255 4.590 -0.947 34 HG22 THR 5 HG22 THR 5 9.171 3.683 -2.002 35 HG23 THR 5 HG23 THR 5 10.727 2.997 -1.537 36 H GLU 6 H GLU 6 8.385 5.710 -1.055 37 HA GLU 6 HA GLU 6 9.602 7.393 0.827 38 HB2 GLU 6 HB2 GLU 6 8.814 7.535 -1.920 39 HB3 GLU 6 HB3 GLU 6 8.297 9.006 -1.107 40 HG2 GLU 6 HG2 GLU 6 11.087 7.896 -1.258 41 HG3 GLU 6 HG3 GLU 6 10.472 9.359 -2.026 42 H VAL 7 H VAL 7 6.258 7.386 -0.397 43 HA VAL 7 HA VAL 7 5.349 9.475 1.275 44 HB VAL 7 HB VAL 7 4.096 8.901 -0.703 45 HG11 VAL 7 HG11 VAL 7 3.472 6.256 0.606 46 HG12 VAL 7 HG12 VAL 7 2.932 6.808 -0.981 47 HG13 VAL 7 HG13 VAL 7 4.642 6.484 -0.693 48 HG21 VAL 7 HG21 VAL 7 2.207 8.022 1.416 49 HG22 VAL 7 HG22 VAL 7 2.983 9.595 1.599 50 HG23 VAL 7 HG23 VAL 7 2.013 9.252 0.166 51 H LEU 8 H LEU 8 5.287 5.949 1.603 52 HA LEU 8 HA LEU 8 3.774 5.840 3.971 53 HB2 LEU 8 HB2 LEU 8 5.683 3.999 2.605 54 HB3 LEU 8 HB3 LEU 8 5.144 3.621 4.240 55 HG LEU 8 HG LEU 8 3.264 4.058 1.924 56 HD11 LEU 8 HD11 LEU 8 3.133 1.722 1.623 57 HD12 LEU 8 HD12 LEU 8 4.101 1.404 3.062 58 HD13 LEU 8 HD13 LEU 8 4.853 2.114 1.633 59 HD21 LEU 8 HD21 LEU 8 2.857 2.766 4.619 60 HD22 LEU 8 HD22 LEU 8 1.636 3.001 3.368 61 HD23 LEU 8 HD23 LEU 8 2.342 4.396 4.185 62 H ALA 9 H ALA 9 7.276 5.976 3.429 63 HA ALA 9 HA ALA 9 8.059 5.759 6.119 64 HB1 ALA 9 HB1 ALA 9 9.552 7.296 4.008 65 HB2 ALA 9 HB2 ALA 9 10.207 6.460 5.417 66 HB3 ALA 9 HB3 ALA 9 9.526 5.533 4.080 67 H ALA 10 H ALA 10 7.341 8.590 4.111 68 HA ALA 10 HA ALA 10 8.042 10.550 6.003 69 HB1 ALA 10 HB1 ALA 10 7.825 11.459 3.920 70 HB2 ALA 10 HB2 ALA 10 6.396 10.502 3.528 71 HB3 ALA 10 HB3 ALA 10 6.258 11.895 4.601 72 H VAL 11 H VAL 11 4.963 8.932 5.322 73 HA VAL 11 HA VAL 11 3.382 10.418 7.114 74 HB VAL 11 HB VAL 11 3.009 7.572 6.171 75 HG11 VAL 11 HG11 VAL 11 1.606 7.743 8.015 76 HG12 VAL 11 HG12 VAL 11 1.246 9.444 7.708 77 HG13 VAL 11 HG13 VAL 11 0.555 8.194 6.673 78 HG21 VAL 11 HG21 VAL 11 1.248 9.565 5.040 79 HG22 VAL 11 HG22 VAL 11 2.941 9.945 4.721 80 HG23 VAL 11 HG23 VAL 11 2.280 8.385 4.230 81 H ILE 12 H ILE 12 5.165 7.380 7.515 82 HA ILE 12 HA ILE 12 4.322 6.824 10.139 83 HB ILE 12 HB ILE 12 6.843 6.043 8.679 84 HG12 ILE 12 HG12 ILE 12 4.678 5.169 7.809 85 HG13 ILE 12 HG13 ILE 12 5.747 3.902 8.399 86 HG21 ILE 12 HG21 ILE 12 5.930 5.451 11.453 87 HG22 ILE 12 HG22 ILE 12 6.796 4.210 10.549 88 HG23 ILE 12 HG23 ILE 12 7.553 5.775 10.846 89 HD11 ILE 12 HD11 ILE 12 3.450 3.499 9.064 90 HD12 ILE 12 HD12 ILE 12 4.469 3.794 10.474 91 HD13 ILE 12 HD13 ILE 12 3.398 5.063 9.878 92 H ALA 13 H ALA 13 7.214 8.505 8.933 93 HA ALA 13 HA ALA 13 8.380 9.035 11.426 94 HB1 ALA 13 HB1 ALA 13 8.610 10.343 8.739 95 HB2 ALA 13 HB2 ALA 13 9.475 10.971 10.143 96 HB3 ALA 13 HB3 ALA 13 9.778 9.326 9.583 97 H GLY 14 H GLY 14 6.076 10.909 9.490 98 HA2 GLY 14 HA2 GLY 14 6.036 13.197 11.144 99 HA3 GLY 14 HA3 GLY 14 4.775 12.727 10.013 100 H GLY 15 H GLY 15 4.136 10.215 11.199 101 HA2 GLY 15 HA2 GLY 15 2.287 11.095 13.170 102 HA3 GLY 15 HA3 GLY 15 2.593 9.427 12.711 103 H VAL 16 H VAL 16 5.323 9.282 13.357 104 HA VAL 16 HA VAL 16 5.168 8.715 16.123 105 HB VAL 16 HB VAL 16 7.638 8.960 14.399 106 HG11 VAL 16 HG11 VAL 16 7.156 8.031 17.181 107 HG12 VAL 16 HG12 VAL 16 8.348 7.169 16.207 108 HG13 VAL 16 HG13 VAL 16 8.532 8.898 16.501 109 HG21 VAL 16 HG21 VAL 16 6.971 7.102 13.382 110 HG22 VAL 16 HG22 VAL 16 6.976 6.267 14.936 111 HG23 VAL 16 HG23 VAL 16 5.507 7.059 14.366 112 H ILE 17 H ILE 17 6.790 11.300 14.308 113 HA ILE 17 HA ILE 17 7.967 12.566 16.533 114 HB ILE 17 HB ILE 17 7.143 13.779 13.892 115 HG12 ILE 17 HG12 ILE 17 9.923 12.950 14.682 116 HG13 ILE 17 HG13 ILE 17 8.804 11.786 13.982 117 HG21 ILE 17 HG21 ILE 17 7.657 15.713 14.878 118 HG22 ILE 17 HG22 ILE 17 8.355 14.907 16.281 119 HG23 ILE 17 HG23 ILE 17 9.331 15.161 14.835 120 HD11 ILE 17 HD11 ILE 17 9.993 12.538 12.154 121 HD12 ILE 17 HD12 ILE 17 8.538 13.533 12.102 122 HD13 ILE 17 HD13 ILE 17 10.041 14.201 12.739 123 H GLY 18 H GLY 18 4.895 13.142 14.843 124 HA2 GLY 18 HA2 GLY 18 4.098 15.379 16.360 125 HA3 GLY 18 HA3 GLY 18 3.025 14.322 15.455 126 H PHE 19 H PHE 19 3.471 11.918 16.802 127 HA PHE 19 HA PHE 19 1.713 12.198 18.988 128 HB2 PHE 19 HB2 PHE 19 2.292 10.123 17.477 129 HB3 PHE 19 HB3 PHE 19 3.492 9.806 18.725 130 HD1 PHE 19 HD1 PHE 19 -0.050 10.983 18.773 131 HD2 PHE 19 HD2 PHE 19 2.806 8.134 20.130 132 HE1 PHE 19 HE1 PHE 19 -1.780 9.913 20.157 133 HE2 PHE 19 HE2 PHE 19 1.081 7.059 21.515 134 HZ PHE 19 HZ PHE 19 -1.216 7.947 21.529 135 H LEU 20 H LEU 20 5.218 11.747 18.804 136 HA LEU 20 HA LEU 20 5.672 11.495 21.574 137 HB2 LEU 20 HB2 LEU 20 7.277 11.916 19.161 138 HB3 LEU 20 HB3 LEU 20 7.975 12.614 20.622 139 HG LEU 20 HG LEU 20 7.689 10.308 21.667 140 HD11 LEU 20 HD11 LEU 20 7.167 8.483 20.410 141 HD12 LEU 20 HD12 LEU 20 7.742 9.210 18.910 142 HD13 LEU 20 HD13 LEU 20 6.184 9.690 19.582 143 HD21 LEU 20 HD21 LEU 20 9.622 9.674 19.691 144 HD22 LEU 20 HD22 LEU 20 9.880 10.269 21.331 145 HD23 LEU 20 HD23 LEU 20 9.705 11.409 19.997 146 H PHE 21 H PHE 21 5.542 14.290 19.427 147 HA PHE 21 HA PHE 21 6.432 16.189 21.335 148 HB2 PHE 21 HB2 PHE 21 5.564 16.197 18.605 149 HB3 PHE 21 HB3 PHE 21 4.710 17.465 19.478 150 HD1 PHE 21 HD1 PHE 21 5.672 19.526 19.268 151 HD2 PHE 21 HD2 PHE 21 8.186 16.097 19.467 152 HE1 PHE 21 HE1 PHE 21 7.654 20.974 19.104 153 HE2 PHE 21 HE2 PHE 21 10.172 17.540 19.304 154 HZ PHE 21 HZ PHE 21 9.908 19.982 19.123 155 H ALA 22 H ALA 22 3.223 15.092 20.325 156 HA ALA 22 HA ALA 22 1.719 16.911 21.854 157 HB1 ALA 22 HB1 ALA 22 0.078 14.768 21.727 158 HB2 ALA 22 HB2 ALA 22 0.307 15.918 20.409 159 HB3 ALA 22 HB3 ALA 22 1.200 14.397 20.417 160 H ILE 23 H ILE 23 2.911 13.653 22.590 161 HA ILE 23 HA ILE 23 1.697 13.454 25.136 162 HB ILE 23 HB ILE 23 4.166 12.059 24.095 163 HG12 ILE 23 HG12 ILE 23 1.426 10.853 24.316 164 HG13 ILE 23 HG13 ILE 23 1.855 11.819 22.908 165 HG21 ILE 23 HG21 ILE 23 2.801 11.992 26.667 166 HG22 ILE 23 HG22 ILE 23 2.972 10.401 25.929 167 HG23 ILE 23 HG23 ILE 23 4.398 11.397 26.216 168 HD11 ILE 23 HD11 ILE 23 2.856 10.075 22.000 169 HD12 ILE 23 HD12 ILE 23 3.931 9.935 23.392 170 HD13 ILE 23 HD13 ILE 23 2.380 9.096 23.387 171 H PHE 24 H PHE 24 4.815 14.681 24.048 172 HA PHE 24 HA PHE 24 5.957 15.000 26.620 173 HB2 PHE 24 HB2 PHE 24 6.707 15.523 23.902 174 HB3 PHE 24 HB3 PHE 24 7.049 16.948 24.877 175 HD1 PHE 24 HD1 PHE 24 8.537 14.197 23.585 176 HD2 PHE 24 HD2 PHE 24 8.022 16.123 27.346 177 HE1 PHE 24 HE1 PHE 24 10.595 13.130 24.410 178 HE2 PHE 24 HE2 PHE 24 10.080 15.060 28.176 179 HZ PHE 24 HZ PHE 24 11.370 13.562 26.708 180 H LEU 25 H LEU 25 4.083 17.134 24.523 181 HA LEU 25 HA LEU 25 4.352 19.460 26.116 182 HB2 LEU 25 HB2 LEU 25 2.931 18.649 23.741 183 HB3 LEU 25 HB3 LEU 25 1.903 19.631 24.783 184 HG LEU 25 HG LEU 25 3.017 20.995 23.102 185 HD11 LEU 25 HD11 LEU 25 4.234 21.543 25.799 186 HD12 LEU 25 HD12 LEU 25 2.546 21.866 25.403 187 HD13 LEU 25 HD13 LEU 25 3.832 22.707 24.536 188 HD21 LEU 25 HD21 LEU 25 5.691 20.855 24.208 189 HD22 LEU 25 HD22 LEU 25 5.157 20.770 22.529 190 HD23 LEU 25 HD23 LEU 25 5.176 19.313 23.525 191 H ILE 26 H ILE 26 1.907 16.905 25.973 192 HA ILE 26 HA ILE 26 0.115 18.050 27.825 193 HB ILE 26 HB ILE 26 0.549 15.136 27.158 194 HG12 ILE 26 HG12 ILE 26 -1.736 16.783 26.154 195 HG13 ILE 26 HG13 ILE 26 -0.167 16.950 25.374 196 HG21 ILE 26 HG21 ILE 26 -1.405 16.545 28.888 197 HG22 ILE 26 HG22 ILE 26 -1.998 15.214 27.897 198 HG23 ILE 26 HG23 ILE 26 -0.695 14.939 29.053 199 HD11 ILE 26 HD11 ILE 26 -1.946 14.553 25.520 200 HD12 ILE 26 HD12 ILE 26 -1.261 15.350 24.103 201 HD13 ILE 26 HD13 ILE 26 -0.226 14.397 25.167 202 H LEU 27 H LEU 27 2.754 15.710 28.228 203 HA LEU 27 HA LEU 27 2.390 15.260 30.979 204 HB2 LEU 27 HB2 LEU 27 4.433 14.711 28.966 205 HB3 LEU 27 HB3 LEU 27 5.087 14.945 30.586 206 HG LEU 27 HG LEU 27 3.469 13.174 31.368 207 HD11 LEU 27 HD11 LEU 27 2.465 13.469 28.773 208 HD12 LEU 27 HD12 LEU 27 1.983 12.283 29.985 209 HD13 LEU 27 HD13 LEU 27 3.240 11.885 28.813 210 HD21 LEU 27 HD21 LEU 27 5.734 12.560 31.185 211 HD22 LEU 27 HD22 LEU 27 5.680 12.570 29.422 212 HD23 LEU 27 HD23 LEU 27 4.839 11.308 30.324 213 H LEU 28 H LEU 28 4.360 17.617 29.222 214 HA LEU 28 HA LEU 28 5.668 18.717 31.459 215 HB2 LEU 28 HB2 LEU 28 5.915 19.031 28.808 216 HB3 LEU 28 HB3 LEU 28 5.014 20.497 29.189 217 HG LEU 28 HG LEU 28 7.693 19.702 30.327 218 HD11 LEU 28 HD11 LEU 28 7.900 22.144 29.057 219 HD12 LEU 28 HD12 LEU 28 6.878 21.195 27.978 220 HD13 LEU 28 HD13 LEU 28 8.469 20.592 28.441 221 HD21 LEU 28 HD21 LEU 28 5.857 22.011 30.893 222 HD22 LEU 28 HD22 LEU 28 7.592 22.094 31.197 223 HD23 LEU 28 HD23 LEU 28 6.607 20.894 32.034 224 H LEU 29 H LEU 29 2.646 19.582 29.829 225 HA LEU 29 HA LEU 29 2.097 21.891 31.352 226 HB2 LEU 29 HB2 LEU 29 0.725 20.227 29.408 227 HB3 LEU 29 HB3 LEU 29 -0.367 20.844 30.645 228 HG LEU 29 HG LEU 29 -0.328 22.274 28.661 229 HD11 LEU 29 HD11 LEU 29 0.792 24.314 30.132 230 HD12 LEU 29 HD12 LEU 29 0.316 23.140 31.359 231 HD13 LEU 29 HD13 LEU 29 -0.881 23.762 30.224 232 HD21 LEU 29 HD21 LEU 29 1.622 23.466 27.977 233 HD22 LEU 29 HD22 LEU 29 2.041 21.755 28.048 234 HD23 LEU 29 HD23 LEU 29 2.552 22.843 29.339 235 H VAL 30 H VAL 30 1.131 18.503 31.746 236 HA VAL 30 HA VAL 30 -0.547 18.863 33.971 237 HB VAL 30 HB VAL 30 1.101 16.441 33.232 238 HG11 VAL 30 HG11 VAL 30 -1.059 15.459 34.504 239 HG12 VAL 30 HG12 VAL 30 0.474 15.805 35.307 240 HG13 VAL 30 HG13 VAL 30 -0.846 16.973 35.382 241 HG21 VAL 30 HG21 VAL 30 -1.739 16.287 32.724 242 HG22 VAL 30 HG22 VAL 30 -1.002 17.634 31.855 243 HG23 VAL 30 HG23 VAL 30 -0.384 15.997 31.633 244 H TYR 31 H TYR 31 2.915 18.114 33.758 245 HA TYR 31 HA TYR 31 3.348 17.875 36.538 246 HB2 TYR 31 HB2 TYR 31 4.874 17.546 34.231 247 HB3 TYR 31 HB3 TYR 31 5.662 18.868 35.084 248 HD1 TYR 31 HD1 TYR 31 4.192 15.514 35.857 249 HD2 TYR 31 HD2 TYR 31 7.327 18.300 36.571 250 HE1 TYR 31 HE1 TYR 31 5.287 13.891 37.345 251 HE2 TYR 31 HE2 TYR 31 8.432 16.685 38.060 252 HH TYR 31 HH TYR 31 7.744 14.707 39.464 253 H ARG 32 H ARG 32 3.778 20.594 34.295 254 HA ARG 32 HA ARG 32 4.787 22.426 36.169 255 HB2 ARG 32 HB2 ARG 32 4.868 22.706 33.692 256 HB3 ARG 32 HB3 ARG 32 3.142 23.043 33.710 257 HG2 ARG 32 HG2 ARG 32 3.509 25.022 35.054 258 HG3 ARG 32 HG3 ARG 32 5.235 24.665 35.143 259 HD2 ARG 32 HD2 ARG 32 5.411 26.005 33.358 260 HD3 ARG 32 HD3 ARG 32 4.782 24.630 32.450 261 HE ARG 32 HE ARG 32 2.710 26.278 33.535 262 HH11 ARG 32 HH11 ARG 32 4.957 25.927 30.899 263 HH12 ARG 32 HH12 ARG 32 3.998 26.848 29.788 264 HH21 ARG 32 HH21 ARG 32 1.439 27.492 32.081 265 HH22 ARG 32 HH22 ARG 32 1.998 27.738 30.461 266 H MET 33 H MET 33 1.488 21.627 35.204 267 HA MET 33 HA MET 33 0.209 23.703 36.633 268 HB2 MET 33 HB2 MET 33 -0.646 21.128 35.400 269 HB3 MET 33 HB3 MET 33 -1.738 21.897 36.544 270 HG2 MET 33 HG2 MET 33 -0.627 23.658 34.466 271 HG3 MET 33 HG3 MET 33 -1.716 22.393 33.901 272 HE1 MET 33 HE1 MET 33 -5.128 23.379 34.988 273 HE2 MET 33 HE2 MET 33 -4.207 23.159 33.501 274 HE3 MET 33 HE3 MET 33 -4.058 21.988 34.812 275 H ARG 34 H ARG 34 1.604 20.710 37.608 276 HA ARG 34 HA ARG 34 0.140 20.135 39.914 277 HB2 ARG 34 HB2 ARG 34 2.142 18.891 38.688 278 HB3 ARG 34 HB3 ARG 34 3.089 19.708 39.924 279 HG2 ARG 34 HG2 ARG 34 1.547 18.697 41.629 280 HG3 ARG 34 HG3 ARG 34 0.863 17.729 40.321 281 HD2 ARG 34 HD2 ARG 34 2.667 16.380 40.203 282 HD3 ARG 34 HD3 ARG 34 3.798 17.697 40.512 283 HE ARG 34 HE ARG 34 2.296 17.007 42.836 284 HH11 ARG 34 HH11 ARG 34 5.016 16.070 40.875 285 HH12 ARG 34 HH12 ARG 34 5.844 15.275 42.173 286 HH21 ARG 34 HH21 ARG 34 3.377 15.964 44.553 287 HH22 ARG 34 HH22 ARG 34 4.911 15.214 44.264 288 H LYS 35 H LYS 35 2.660 22.486 39.322 289 HA LYS 35 HA LYS 35 3.468 23.105 41.891 290 HB2 LYS 35 HB2 LYS 35 3.062 24.949 39.531 291 HB3 LYS 35 HB3 LYS 35 3.917 25.399 41.001 292 HG2 LYS 35 HG2 LYS 35 5.703 23.998 40.548 293 HG3 LYS 35 HG3 LYS 35 4.765 22.997 39.437 294 HD2 LYS 35 HD2 LYS 35 4.829 24.643 37.744 295 HD3 LYS 35 HD3 LYS 35 5.395 25.883 38.866 296 HE2 LYS 35 HE2 LYS 35 7.325 25.317 37.716 297 HE3 LYS 35 HE3 LYS 35 7.442 24.333 39.173 298 HZ1 LYS 35 HZ1 LYS 35 6.331 22.536 37.782 299 HZ2 LYS 35 HZ2 LYS 35 7.950 22.885 37.442 300 HZ3 LYS 35 HZ3 LYS 35 6.727 23.481 36.436 Start of MODEL 8 1 H1 MET 1 H MET 1 8.090 12.892 -5.271 2 HA MET 1 HA MET 1 7.309 11.071 -4.079 3 HB2 MET 1 HB2 MET 1 5.065 13.074 -4.179 4 HB3 MET 1 HB3 MET 1 4.953 11.616 -3.201 5 HG2 MET 1 HG2 MET 1 5.716 13.169 -1.688 6 HG3 MET 1 HG3 MET 1 7.208 12.391 -2.212 7 HE1 MET 1 HE1 MET 1 5.301 15.986 -2.145 8 HE2 MET 1 HE2 MET 1 6.196 15.172 -0.862 9 HE3 MET 1 HE3 MET 1 6.891 16.580 -1.666 10 H GLU 2 H GLU 2 7.336 10.126 -6.536 11 HA GLU 2 HA GLU 2 4.658 9.095 -7.145 12 HB2 GLU 2 HB2 GLU 2 7.216 9.167 -8.743 13 HB3 GLU 2 HB3 GLU 2 5.799 8.260 -9.253 14 HG2 GLU 2 HG2 GLU 2 4.539 10.187 -9.600 15 HG3 GLU 2 HG3 GLU 2 5.622 11.181 -8.627 16 H GLN 3 H GLN 3 5.899 8.090 -4.849 17 HA GLN 3 HA GLN 3 6.187 5.283 -5.621 18 HB2 GLN 3 HB2 GLN 3 8.137 6.868 -3.967 19 HB3 GLN 3 HB3 GLN 3 8.005 5.121 -3.806 20 HG2 GLN 3 HG2 GLN 3 8.308 5.167 -6.405 21 HG3 GLN 3 HG3 GLN 3 9.022 6.746 -6.081 22 HE21 GLN 3 HE21 GLN 3 9.212 3.330 -5.242 23 HE22 GLN 3 HE22 GLN 3 10.897 3.329 -4.862 24 H SER 4 H SER 4 6.067 3.834 -3.653 25 HA SER 4 HA SER 4 3.913 4.823 -1.938 26 HB2 SER 4 HB2 SER 4 4.731 2.176 -2.971 27 HB3 SER 4 HB3 SER 4 4.105 2.186 -1.322 28 HG SER 4 HG SER 4 2.179 2.561 -2.074 29 H THR 5 H THR 5 7.111 3.341 -1.758 30 HA THR 5 HA THR 5 7.218 3.071 1.048 31 HB THR 5 HB THR 5 9.545 3.469 -0.842 32 HG1 THR 5 HG1 THR 5 8.556 0.979 0.082 33 HG21 THR 5 HG21 THR 5 10.897 3.108 0.899 34 HG22 THR 5 HG22 THR 5 9.957 1.708 1.418 35 HG23 THR 5 HG23 THR 5 9.491 3.326 1.940 36 H GLU 6 H GLU 6 8.213 5.676 -1.132 37 HA GLU 6 HA GLU 6 9.488 7.304 0.753 38 HB2 GLU 6 HB2 GLU 6 8.268 7.710 -1.922 39 HB3 GLU 6 HB3 GLU 6 8.522 9.148 -0.943 40 HG2 GLU 6 HG2 GLU 6 10.902 7.718 -0.749 41 HG3 GLU 6 HG3 GLU 6 10.419 7.583 -2.439 42 H VAL 7 H VAL 7 6.117 7.373 -0.392 43 HA VAL 7 HA VAL 7 5.276 9.458 1.312 44 HB VAL 7 HB VAL 7 3.953 8.900 -0.620 45 HG11 VAL 7 HG11 VAL 7 3.406 6.241 0.696 46 HG12 VAL 7 HG12 VAL 7 2.748 6.807 -0.841 47 HG13 VAL 7 HG13 VAL 7 4.477 6.496 -0.682 48 HG21 VAL 7 HG21 VAL 7 2.832 9.793 1.433 49 HG22 VAL 7 HG22 VAL 7 1.767 8.912 0.338 50 HG23 VAL 7 HG23 VAL 7 2.347 8.141 1.814 51 H LEU 8 H LEU 8 5.236 5.938 1.657 52 HA LEU 8 HA LEU 8 3.777 5.829 4.060 53 HB2 LEU 8 HB2 LEU 8 5.424 4.016 2.463 54 HB3 LEU 8 HB3 LEU 8 5.450 3.665 4.190 55 HG LEU 8 HG LEU 8 3.763 2.374 2.871 56 HD11 LEU 8 HD11 LEU 8 1.831 3.385 4.508 57 HD12 LEU 8 HD12 LEU 8 3.307 3.937 5.300 58 HD13 LEU 8 HD13 LEU 8 3.063 2.218 4.989 59 HD21 LEU 8 HD21 LEU 8 3.090 4.075 1.294 60 HD22 LEU 8 HD22 LEU 8 2.484 5.092 2.601 61 HD23 LEU 8 HD23 LEU 8 1.692 3.558 2.237 62 H ALA 9 H ALA 9 7.264 5.986 3.433 63 HA ALA 9 HA ALA 9 8.111 5.786 6.106 64 HB1 ALA 9 HB1 ALA 9 9.429 7.100 3.735 65 HB2 ALA 9 HB2 ALA 9 10.218 6.814 5.287 66 HB3 ALA 9 HB3 ALA 9 9.670 5.450 4.312 67 H ALA 10 H ALA 10 7.338 8.603 4.097 68 HA ALA 10 HA ALA 10 8.075 10.579 5.956 69 HB1 ALA 10 HB1 ALA 10 5.860 10.897 3.950 70 HB2 ALA 10 HB2 ALA 10 6.973 12.120 4.565 71 HB3 ALA 10 HB3 ALA 10 7.560 10.860 3.480 72 H VAL 11 H VAL 11 4.952 9.008 5.330 73 HA VAL 11 HA VAL 11 3.441 10.479 7.186 74 HB VAL 11 HB VAL 11 3.009 7.641 6.243 75 HG11 VAL 11 HG11 VAL 11 1.487 7.655 7.901 76 HG12 VAL 11 HG12 VAL 11 1.491 9.415 8.032 77 HG13 VAL 11 HG13 VAL 11 0.545 8.625 6.770 78 HG21 VAL 11 HG21 VAL 11 1.247 9.622 5.125 79 HG22 VAL 11 HG22 VAL 11 2.930 10.041 4.808 80 HG23 VAL 11 HG23 VAL 11 2.302 8.472 4.305 81 H ILE 12 H ILE 12 5.215 7.427 7.512 82 HA ILE 12 HA ILE 12 4.432 6.829 10.140 83 HB ILE 12 HB ILE 12 6.991 6.116 8.704 84 HG12 ILE 12 HG12 ILE 12 4.745 4.214 9.224 85 HG13 ILE 12 HG13 ILE 12 4.580 5.373 7.910 86 HG21 ILE 12 HG21 ILE 12 7.612 5.642 10.842 87 HG22 ILE 12 HG22 ILE 12 5.951 5.433 11.395 88 HG23 ILE 12 HG23 ILE 12 6.741 4.153 10.474 89 HD11 ILE 12 HD11 ILE 12 6.656 3.230 8.228 90 HD12 ILE 12 HD12 ILE 12 5.427 3.383 6.972 91 HD13 ILE 12 HD13 ILE 12 6.773 4.521 7.032 92 H ALA 13 H ALA 13 7.287 8.560 8.916 93 HA ALA 13 HA ALA 13 8.487 9.063 11.399 94 HB1 ALA 13 HB1 ALA 13 9.559 9.335 9.157 95 HB2 ALA 13 HB2 ALA 13 8.655 10.839 8.972 96 HB3 ALA 13 HB3 ALA 13 9.837 10.674 10.271 97 H GLY 14 H GLY 14 6.140 10.951 9.526 98 HA2 GLY 14 HA2 GLY 14 6.098 13.205 11.227 99 HA3 GLY 14 HA3 GLY 14 4.830 12.748 10.098 100 H GLY 15 H GLY 15 4.266 10.188 11.264 101 HA2 GLY 15 HA2 GLY 15 2.409 11.014 13.257 102 HA3 GLY 15 HA3 GLY 15 2.735 9.358 12.768 103 H VAL 16 H VAL 16 5.484 9.266 13.386 104 HA VAL 16 HA VAL 16 5.361 8.638 16.142 105 HB VAL 16 HB VAL 16 7.791 8.952 14.373 106 HG11 VAL 16 HG11 VAL 16 7.425 7.808 17.127 107 HG12 VAL 16 HG12 VAL 16 8.782 7.358 16.092 108 HG13 VAL 16 HG13 VAL 16 8.570 9.037 16.589 109 HG21 VAL 16 HG21 VAL 16 7.386 6.923 13.530 110 HG22 VAL 16 HG22 VAL 16 6.962 6.259 15.108 111 HG23 VAL 16 HG23 VAL 16 5.749 7.116 14.156 112 H ILE 17 H ILE 17 6.982 11.264 14.373 113 HA ILE 17 HA ILE 17 8.092 12.517 16.643 114 HB ILE 17 HB ILE 17 8.921 13.005 14.412 115 HG12 ILE 17 HG12 ILE 17 9.014 15.467 14.570 116 HG13 ILE 17 HG13 ILE 17 7.685 15.437 15.723 117 HG21 ILE 17 HG21 ILE 17 7.699 13.989 12.709 118 HG22 ILE 17 HG22 ILE 17 6.521 12.903 13.445 119 HG23 ILE 17 HG23 ILE 17 6.481 14.627 13.813 120 HD11 ILE 17 HD11 ILE 17 9.983 13.764 16.440 121 HD12 ILE 17 HD12 ILE 17 10.293 15.500 16.399 122 HD13 ILE 17 HD13 ILE 17 9.013 14.856 17.428 123 H GLY 18 H GLY 18 5.055 13.044 14.888 124 HA2 GLY 18 HA2 GLY 18 4.204 15.298 16.355 125 HA3 GLY 18 HA3 GLY 18 3.161 14.215 15.445 126 H PHE 19 H PHE 19 3.600 11.836 16.831 127 HA PHE 19 HA PHE 19 1.806 12.134 18.987 128 HB2 PHE 19 HB2 PHE 19 3.295 9.935 17.723 129 HB3 PHE 19 HB3 PHE 19 2.963 9.694 19.435 130 HD1 PHE 19 HD1 PHE 19 1.785 8.979 16.304 131 HD2 PHE 19 HD2 PHE 19 0.419 10.491 20.041 132 HE1 PHE 19 HE1 PHE 19 -0.503 8.264 15.753 133 HE2 PHE 19 HE2 PHE 19 -1.872 9.777 19.496 134 HZ PHE 19 HZ PHE 19 -2.335 8.661 17.350 135 H LEU 20 H LEU 20 5.315 11.690 18.857 136 HA LEU 20 HA LEU 20 5.729 11.469 21.637 137 HB2 LEU 20 HB2 LEU 20 7.292 11.176 19.460 138 HB3 LEU 20 HB3 LEU 20 7.840 12.753 20.024 139 HG LEU 20 HG LEU 20 8.042 11.445 22.324 140 HD11 LEU 20 HD11 LEU 20 7.243 9.328 21.723 141 HD12 LEU 20 HD12 LEU 20 8.998 9.155 21.741 142 HD13 LEU 20 HD13 LEU 20 8.145 9.320 20.207 143 HD21 LEU 20 HD21 LEU 20 9.790 12.281 20.284 144 HD22 LEU 20 HD22 LEU 20 10.332 10.679 20.787 145 HD23 LEU 20 HD23 LEU 20 10.169 11.970 21.979 146 H PHE 21 H PHE 21 5.623 14.240 19.458 147 HA PHE 21 HA PHE 21 6.481 16.162 21.357 148 HB2 PHE 21 HB2 PHE 21 6.296 16.311 18.750 149 HB3 PHE 21 HB3 PHE 21 4.657 16.861 19.083 150 HD1 PHE 21 HD1 PHE 21 4.235 19.066 19.746 151 HD2 PHE 21 HD2 PHE 21 8.226 17.587 19.739 152 HE1 PHE 21 HE1 PHE 21 5.077 21.346 20.130 153 HE2 PHE 21 HE2 PHE 21 9.074 19.864 20.124 154 HZ PHE 21 HZ PHE 21 7.499 21.747 20.321 155 H ALA 22 H ALA 22 3.289 15.047 20.313 156 HA ALA 22 HA ALA 22 1.760 16.878 21.802 157 HB1 ALA 22 HB1 ALA 22 0.127 14.729 21.676 158 HB2 ALA 22 HB2 ALA 22 0.370 15.866 20.350 159 HB3 ALA 22 HB3 ALA 22 1.267 14.348 20.386 160 H ILE 23 H ILE 23 2.940 13.626 22.589 161 HA ILE 23 HA ILE 23 1.695 13.455 25.121 162 HB ILE 23 HB ILE 23 4.180 12.053 24.129 163 HG12 ILE 23 HG12 ILE 23 1.437 10.848 24.322 164 HG13 ILE 23 HG13 ILE 23 1.890 11.796 22.910 165 HG21 ILE 23 HG21 ILE 23 2.986 10.403 25.957 166 HG22 ILE 23 HG22 ILE 23 4.380 11.436 26.269 167 HG23 ILE 23 HG23 ILE 23 2.759 11.996 26.678 168 HD11 ILE 23 HD11 ILE 23 2.681 9.096 23.702 169 HD12 ILE 23 HD12 ILE 23 2.587 9.835 22.104 170 HD13 ILE 23 HD13 ILE 23 4.002 10.108 23.120 171 H PHE 24 H PHE 24 4.820 14.683 24.060 172 HA PHE 24 HA PHE 24 5.932 15.028 26.643 173 HB2 PHE 24 HB2 PHE 24 7.201 14.985 24.456 174 HB3 PHE 24 HB3 PHE 24 6.620 16.622 24.172 175 HD1 PHE 24 HD1 PHE 24 7.474 18.485 25.441 176 HD2 PHE 24 HD2 PHE 24 8.844 14.523 26.174 177 HE1 PHE 24 HE1 PHE 24 9.365 19.382 26.734 178 HE2 PHE 24 HE2 PHE 24 10.736 15.413 27.470 179 HZ PHE 24 HZ PHE 24 10.999 17.845 27.752 180 H LEU 25 H LEU 25 4.065 17.131 24.510 181 HA LEU 25 HA LEU 25 4.311 19.476 26.076 182 HB2 LEU 25 HB2 LEU 25 3.014 18.676 23.670 183 HB3 LEU 25 HB3 LEU 25 1.838 19.501 24.691 184 HG LEU 25 HG LEU 25 2.816 21.094 23.192 185 HD11 LEU 25 HD11 LEU 25 2.871 21.320 25.983 186 HD12 LEU 25 HD12 LEU 25 2.822 22.624 24.796 187 HD13 LEU 25 HD13 LEU 25 4.372 22.045 25.407 188 HD21 LEU 25 HD21 LEU 25 4.997 19.590 23.101 189 HD22 LEU 25 HD22 LEU 25 5.550 20.759 24.301 190 HD23 LEU 25 HD23 LEU 25 5.031 21.309 22.707 191 H ILE 26 H ILE 26 1.869 16.915 25.943 192 HA ILE 26 HA ILE 26 0.075 18.074 27.786 193 HB ILE 26 HB ILE 26 0.512 15.188 27.020 194 HG12 ILE 26 HG12 ILE 26 -0.291 16.736 25.243 195 HG13 ILE 26 HG13 ILE 26 -1.462 15.485 25.647 196 HG21 ILE 26 HG21 ILE 26 -1.408 16.447 28.925 197 HG22 ILE 26 HG22 ILE 26 -1.917 15.052 27.975 198 HG23 ILE 26 HG23 ILE 26 -0.529 14.923 29.055 199 HD11 ILE 26 HD11 ILE 26 -1.923 18.204 25.503 200 HD12 ILE 26 HD12 ILE 26 -2.989 16.988 26.208 201 HD13 ILE 26 HD13 ILE 26 -1.855 17.867 27.232 202 H LEU 27 H LEU 27 2.708 15.730 28.202 203 HA LEU 27 HA LEU 27 2.336 15.283 30.952 204 HB2 LEU 27 HB2 LEU 27 3.992 14.300 29.007 205 HB3 LEU 27 HB3 LEU 27 5.111 15.200 30.029 206 HG LEU 27 HG LEU 27 5.050 12.859 30.667 207 HD11 LEU 27 HD11 LEU 27 3.571 14.036 32.924 208 HD12 LEU 27 HD12 LEU 27 4.957 14.961 32.349 209 HD13 LEU 27 HD13 LEU 27 5.168 13.291 32.873 210 HD21 LEU 27 HD21 LEU 27 3.185 11.638 30.959 211 HD22 LEU 27 HD22 LEU 27 2.431 12.897 29.980 212 HD23 LEU 27 HD23 LEU 27 2.315 12.959 31.739 213 H LEU 28 H LEU 28 4.310 17.640 29.199 214 HA LEU 28 HA LEU 28 5.608 18.742 31.441 215 HB2 LEU 28 HB2 LEU 28 5.345 19.323 28.624 216 HB3 LEU 28 HB3 LEU 28 5.316 20.802 29.582 217 HG LEU 28 HG LEU 28 7.566 20.270 28.782 218 HD11 LEU 28 HD11 LEU 28 8.428 21.159 30.630 219 HD12 LEU 28 HD12 LEU 28 8.026 19.739 31.595 220 HD13 LEU 28 HD13 LEU 28 6.820 21.000 31.339 221 HD21 LEU 28 HD21 LEU 28 7.185 17.741 30.375 222 HD22 LEU 28 HD22 LEU 28 8.744 18.316 29.785 223 HD23 LEU 28 HD23 LEU 28 7.473 17.882 28.641 224 H LEU 29 H LEU 29 2.595 19.605 29.794 225 HA LEU 29 HA LEU 29 2.039 21.917 31.310 226 HB2 LEU 29 HB2 LEU 29 0.720 20.301 29.320 227 HB3 LEU 29 HB3 LEU 29 -0.414 20.793 30.576 228 HG LEU 29 HG LEU 29 -0.357 22.302 28.602 229 HD11 LEU 29 HD11 LEU 29 -0.893 24.055 29.898 230 HD12 LEU 29 HD12 LEU 29 0.647 24.026 30.757 231 HD13 LEU 29 HD13 LEU 29 -0.643 22.918 31.222 232 HD21 LEU 29 HD21 LEU 29 1.513 23.704 28.173 233 HD22 LEU 29 HD22 LEU 29 2.116 22.048 28.235 234 HD23 LEU 29 HD23 LEU 29 2.358 23.128 29.609 235 H VAL 30 H VAL 30 1.069 18.530 31.705 236 HA VAL 30 HA VAL 30 -0.620 18.894 33.920 237 HB VAL 30 HB VAL 30 1.030 16.470 33.192 238 HG11 VAL 30 HG11 VAL 30 -0.865 17.017 35.364 239 HG12 VAL 30 HG12 VAL 30 -1.182 15.534 34.461 240 HG13 VAL 30 HG13 VAL 30 0.386 15.781 35.231 241 HG21 VAL 30 HG21 VAL 30 -0.488 15.960 31.633 242 HG22 VAL 30 HG22 VAL 30 -1.837 16.399 32.680 243 HG23 VAL 30 HG23 VAL 30 -1.000 17.643 31.752 244 H TYR 31 H TYR 31 2.843 18.142 33.725 245 HA TYR 31 HA TYR 31 3.281 17.876 36.492 246 HB2 TYR 31 HB2 TYR 31 4.803 17.457 34.295 247 HB3 TYR 31 HB3 TYR 31 5.494 18.974 34.861 248 HD1 TYR 31 HD1 TYR 31 5.754 15.509 35.072 249 HD2 TYR 31 HD2 TYR 31 5.958 18.995 37.503 250 HE1 TYR 31 HE1 TYR 31 7.096 14.273 36.722 251 HE2 TYR 31 HE2 TYR 31 7.302 17.770 39.159 252 HH TYR 31 HH TYR 31 8.899 15.075 38.600 253 H ARG 32 H ARG 32 3.753 20.655 34.320 254 HA ARG 32 HA ARG 32 4.648 22.455 36.279 255 HB2 ARG 32 HB2 ARG 32 3.451 22.732 33.555 256 HB3 ARG 32 HB3 ARG 32 3.605 24.166 34.561 257 HG2 ARG 32 HG2 ARG 32 5.997 23.820 34.736 258 HG3 ARG 32 HG3 ARG 32 5.867 22.331 33.798 259 HD2 ARG 32 HD2 ARG 32 6.386 23.694 32.077 260 HD3 ARG 32 HD3 ARG 32 4.659 24.051 32.118 261 HE ARG 32 HE ARG 32 5.847 25.831 33.857 262 HH11 ARG 32 HH11 ARG 32 6.063 25.059 30.469 263 HH12 ARG 32 HH12 ARG 32 6.494 26.669 29.996 264 HH21 ARG 32 HH21 ARG 32 6.414 27.954 33.247 265 HH22 ARG 32 HH22 ARG 32 6.694 28.315 31.578 266 H MET 33 H MET 33 1.409 21.615 35.171 267 HA MET 33 HA MET 33 0.025 23.655 36.544 268 HB2 MET 33 HB2 MET 33 -0.691 21.089 35.239 269 HB3 MET 33 HB3 MET 33 -1.837 21.721 36.413 270 HG2 MET 33 HG2 MET 33 -2.157 23.705 35.177 271 HG3 MET 33 HG3 MET 33 -0.771 23.368 34.142 272 HE1 MET 33 HE1 MET 33 -3.885 24.045 34.137 273 HE2 MET 33 HE2 MET 33 -4.319 23.503 32.515 274 HE3 MET 33 HE3 MET 33 -4.952 22.656 33.927 275 H ARG 34 H ARG 34 1.465 20.710 37.594 276 HA ARG 34 HA ARG 34 -0.092 20.239 39.906 277 HB2 ARG 34 HB2 ARG 34 1.889 18.881 38.632 278 HB3 ARG 34 HB3 ARG 34 2.762 19.502 40.027 279 HG2 ARG 34 HG2 ARG 34 1.968 17.809 41.207 280 HG3 ARG 34 HG3 ARG 34 0.351 18.491 41.027 281 HD2 ARG 34 HD2 ARG 34 -0.046 16.456 40.105 282 HD3 ARG 34 HD3 ARG 34 0.546 17.280 38.663 283 HE ARG 34 HE ARG 34 2.332 15.865 38.664 284 HH11 ARG 34 HH11 ARG 34 0.961 15.919 41.863 285 HH12 ARG 34 HH12 ARG 34 2.008 14.682 42.474 286 HH21 ARG 34 HH21 ARG 34 3.717 14.235 39.457 287 HH22 ARG 34 HH22 ARG 34 3.576 13.725 41.105 288 H LYS 35 H LYS 35 2.631 22.327 39.236 289 HA LYS 35 HA LYS 35 3.375 22.903 41.893 290 HB2 LYS 35 HB2 LYS 35 4.227 23.654 39.340 291 HB3 LYS 35 HB3 LYS 35 3.729 25.158 40.103 292 HG2 LYS 35 HG2 LYS 35 5.200 24.633 42.016 293 HG3 LYS 35 HG3 LYS 35 5.749 23.190 41.159 294 HD2 LYS 35 HD2 LYS 35 6.414 24.740 39.265 295 HD3 LYS 35 HD3 LYS 35 6.139 26.074 40.388 296 HE2 LYS 35 HE2 LYS 35 8.171 25.778 41.231 297 HE3 LYS 35 HE3 LYS 35 7.733 24.140 41.713 298 HZ1 LYS 35 HZ1 LYS 35 8.470 24.593 38.919 299 HZ2 LYS 35 HZ2 LYS 35 8.729 23.238 39.897 300 HZ3 LYS 35 HZ3 LYS 35 9.710 24.606 40.069 Start of MODEL 9 1 H1 MET 1 H MET 1 10.941 13.102 -7.828 2 HA MET 1 HA MET 1 12.036 10.913 -7.198 3 HB2 MET 1 HB2 MET 1 11.964 12.358 -4.695 4 HB3 MET 1 HB3 MET 1 11.178 10.794 -4.532 5 HG2 MET 1 HG2 MET 1 13.300 10.180 -4.049 6 HG3 MET 1 HG3 MET 1 13.347 9.978 -5.799 7 HE1 MET 1 HE1 MET 1 16.757 11.438 -6.029 8 HE2 MET 1 HE2 MET 1 16.204 10.103 -5.018 9 HE3 MET 1 HE3 MET 1 15.540 10.315 -6.639 10 H GLU 2 H GLU 2 10.701 9.202 -7.453 11 HA GLU 2 HA GLU 2 7.866 9.543 -6.751 12 HB2 GLU 2 HB2 GLU 2 8.994 8.569 -9.375 13 HB3 GLU 2 HB3 GLU 2 7.323 8.315 -8.893 14 HG2 GLU 2 HG2 GLU 2 7.533 10.974 -8.514 15 HG3 GLU 2 HG3 GLU 2 8.672 10.747 -9.840 16 H GLN 3 H GLN 3 8.476 8.240 -4.899 17 HA GLN 3 HA GLN 3 8.404 5.384 -5.550 18 HB2 GLN 3 HB2 GLN 3 10.518 6.818 -4.082 19 HB3 GLN 3 HB3 GLN 3 9.929 5.359 -3.295 20 HG2 GLN 3 HG2 GLN 3 10.283 4.601 -5.931 21 HG3 GLN 3 HG3 GLN 3 11.652 5.660 -5.597 22 HE21 GLN 3 HE21 GLN 3 10.646 2.552 -5.534 23 HE22 GLN 3 HE22 GLN 3 11.722 1.914 -4.343 24 H SER 4 H SER 4 7.147 4.160 -4.221 25 HA SER 4 HA SER 4 5.230 5.492 -2.608 26 HB2 SER 4 HB2 SER 4 5.602 2.867 -3.697 27 HB3 SER 4 HB3 SER 4 5.218 2.723 -1.982 28 HG SER 4 HG SER 4 3.733 4.277 -3.836 29 H THR 5 H THR 5 8.089 3.549 -1.887 30 HA THR 5 HA THR 5 7.813 3.197 0.834 31 HB THR 5 HB THR 5 10.408 3.438 0.847 32 HG1 THR 5 HG1 THR 5 10.051 3.174 -1.951 33 HG21 THR 5 HG21 THR 5 9.833 1.246 0.927 34 HG22 THR 5 HG22 THR 5 10.397 1.266 -0.744 35 HG23 THR 5 HG23 THR 5 8.673 1.392 -0.393 36 H GLU 6 H GLU 6 9.052 6.023 -0.902 37 HA GLU 6 HA GLU 6 9.930 7.504 1.297 38 HB2 GLU 6 HB2 GLU 6 8.754 8.495 -1.307 39 HB3 GLU 6 HB3 GLU 6 9.646 9.485 -0.160 40 HG2 GLU 6 HG2 GLU 6 10.968 7.034 -1.165 41 HG3 GLU 6 HG3 GLU 6 10.786 8.386 -2.282 42 H VAL 7 H VAL 7 6.750 7.442 -0.284 43 HA VAL 7 HA VAL 7 5.523 9.394 1.317 44 HB VAL 7 HB VAL 7 4.181 7.022 0.014 45 HG11 VAL 7 HG11 VAL 7 2.329 8.857 -0.149 46 HG12 VAL 7 HG12 VAL 7 2.547 7.949 1.348 47 HG13 VAL 7 HG13 VAL 7 3.203 9.580 1.201 48 HG21 VAL 7 HG21 VAL 7 4.733 7.897 -1.950 49 HG22 VAL 7 HG22 VAL 7 3.853 9.363 -1.522 50 HG23 VAL 7 HG23 VAL 7 5.573 9.228 -1.155 51 H LEU 8 H LEU 8 5.693 5.868 1.665 52 HA LEU 8 HA LEU 8 4.047 5.652 3.928 53 HB2 LEU 8 HB2 LEU 8 5.787 3.957 2.398 54 HB3 LEU 8 HB3 LEU 8 6.022 3.664 4.120 55 HG LEU 8 HG LEU 8 4.408 2.105 3.240 56 HD11 LEU 8 HD11 LEU 8 3.338 2.233 5.174 57 HD12 LEU 8 HD12 LEU 8 2.390 3.599 4.586 58 HD13 LEU 8 HD13 LEU 8 3.937 3.879 5.385 59 HD21 LEU 8 HD21 LEU 8 2.573 2.639 1.971 60 HD22 LEU 8 HD22 LEU 8 3.723 3.853 1.409 61 HD23 LEU 8 HD23 LEU 8 2.486 4.288 2.590 62 H ALA 9 H ALA 9 7.556 6.068 3.629 63 HA ALA 9 HA ALA 9 8.166 5.919 6.368 64 HB1 ALA 9 HB1 ALA 9 10.112 7.541 5.445 65 HB2 ALA 9 HB2 ALA 9 10.103 5.791 5.225 66 HB3 ALA 9 HB3 ALA 9 9.534 6.845 3.931 67 H ALA 10 H ALA 10 7.235 8.636 4.313 68 HA ALA 10 HA ALA 10 7.684 10.671 6.224 69 HB1 ALA 10 HB1 ALA 10 6.629 10.473 3.560 70 HB2 ALA 10 HB2 ALA 10 5.618 11.534 4.542 71 HB3 ALA 10 HB3 ALA 10 7.344 11.860 4.381 72 H VAL 11 H VAL 11 4.867 8.691 5.438 73 HA VAL 11 HA VAL 11 3.022 10.056 7.088 74 HB VAL 11 HB VAL 11 2.988 7.172 6.188 75 HG11 VAL 11 HG11 VAL 11 1.478 7.337 7.989 76 HG12 VAL 11 HG12 VAL 11 0.896 8.917 7.459 77 HG13 VAL 11 HG13 VAL 11 0.491 7.471 6.533 78 HG21 VAL 11 HG21 VAL 11 1.160 9.042 4.906 79 HG22 VAL 11 HG22 VAL 11 2.857 9.440 4.634 80 HG23 VAL 11 HG23 VAL 11 2.243 7.847 4.191 81 H ILE 12 H ILE 12 4.948 7.114 7.627 82 HA ILE 12 HA ILE 12 4.046 6.643 10.256 83 HB ILE 12 HB ILE 12 5.141 4.887 8.999 84 HG12 ILE 12 HG12 ILE 12 7.196 5.226 11.077 85 HG13 ILE 12 HG13 ILE 12 5.545 5.431 11.651 86 HG21 ILE 12 HG21 ILE 12 7.711 6.436 9.252 87 HG22 ILE 12 HG22 ILE 12 7.444 4.925 8.384 88 HG23 ILE 12 HG23 ILE 12 6.714 6.420 7.798 89 HD11 ILE 12 HD11 ILE 12 5.047 3.213 10.522 90 HD12 ILE 12 HD12 ILE 12 6.796 3.019 10.391 91 HD13 ILE 12 HD13 ILE 12 6.042 3.172 11.978 92 H ALA 13 H ALA 13 6.870 8.378 8.997 93 HA ALA 13 HA ALA 13 8.068 8.961 11.470 94 HB1 ALA 13 HB1 ALA 13 8.225 10.739 9.051 95 HB2 ALA 13 HB2 ALA 13 9.439 10.482 10.305 96 HB3 ALA 13 HB3 ALA 13 9.076 9.197 9.153 97 H GLY 14 H GLY 14 5.674 10.734 9.549 98 HA2 GLY 14 HA2 GLY 14 5.595 13.034 11.201 99 HA3 GLY 14 HA3 GLY 14 4.354 12.544 10.057 100 H GLY 15 H GLY 15 3.808 9.992 11.261 101 HA2 GLY 15 HA2 GLY 15 1.888 10.819 13.188 102 HA3 GLY 15 HA3 GLY 15 2.273 9.159 12.757 103 H VAL 16 H VAL 16 4.954 9.050 13.459 104 HA VAL 16 HA VAL 16 4.769 8.600 16.248 105 HB VAL 16 HB VAL 16 6.263 7.258 14.895 106 HG11 VAL 16 HG11 VAL 16 8.235 8.130 13.839 107 HG12 VAL 16 HG12 VAL 16 6.842 9.057 13.278 108 HG13 VAL 16 HG13 VAL 16 7.927 9.739 14.491 109 HG21 VAL 16 HG21 VAL 16 6.795 7.657 17.289 110 HG22 VAL 16 HG22 VAL 16 8.210 7.278 16.306 111 HG23 VAL 16 HG23 VAL 16 7.893 8.944 16.790 112 H ILE 17 H ILE 17 6.326 11.128 14.317 113 HA ILE 17 HA ILE 17 7.567 12.468 16.468 114 HB ILE 17 HB ILE 17 6.684 13.519 13.779 115 HG12 ILE 17 HG12 ILE 17 9.498 12.928 14.659 116 HG13 ILE 17 HG13 ILE 17 8.469 11.654 14.013 117 HG21 ILE 17 HG21 ILE 17 7.859 14.859 16.101 118 HG22 ILE 17 HG22 ILE 17 8.724 15.133 14.590 119 HG23 ILE 17 HG23 ILE 17 7.011 15.533 14.709 120 HD11 ILE 17 HD11 ILE 17 9.381 12.273 12.064 121 HD12 ILE 17 HD12 ILE 17 8.158 13.544 12.118 122 HD13 ILE 17 HD13 ILE 17 9.805 13.881 12.651 123 H GLY 18 H GLY 18 4.449 12.977 14.842 124 HA2 GLY 18 HA2 GLY 18 3.679 15.250 16.323 125 HA3 GLY 18 HA3 GLY 18 2.589 14.171 15.466 126 H PHE 19 H PHE 19 3.066 11.798 16.853 127 HA PHE 19 HA PHE 19 1.359 12.126 19.073 128 HB2 PHE 19 HB2 PHE 19 1.775 10.025 17.635 129 HB3 PHE 19 HB3 PHE 19 3.156 9.742 18.690 130 HD1 PHE 19 HD1 PHE 19 -0.499 10.450 18.868 131 HD2 PHE 19 HD2 PHE 19 2.858 8.478 20.588 132 HE1 PHE 19 HE1 PHE 19 -1.980 9.362 20.504 133 HE2 PHE 19 HE2 PHE 19 1.382 7.386 22.226 134 HZ PHE 19 HZ PHE 19 -1.040 7.827 22.184 135 H LEU 20 H LEU 20 4.858 11.656 18.818 136 HA LEU 20 HA LEU 20 5.373 11.468 21.584 137 HB2 LEU 20 HB2 LEU 20 6.907 10.857 19.662 138 HB3 LEU 20 HB3 LEU 20 7.261 12.578 19.522 139 HG LEU 20 HG LEU 20 7.739 12.021 22.192 140 HD11 LEU 20 HD11 LEU 20 8.250 9.637 20.518 141 HD12 LEU 20 HD12 LEU 20 7.877 9.762 22.237 142 HD13 LEU 20 HD13 LEU 20 9.510 10.099 21.662 143 HD21 LEU 20 HD21 LEU 20 8.997 13.428 20.489 144 HD22 LEU 20 HD22 LEU 20 9.833 11.942 20.037 145 HD23 LEU 20 HD23 LEU 20 9.970 12.566 21.681 146 H PHE 21 H PHE 21 5.165 14.208 19.380 147 HA PHE 21 HA PHE 21 6.123 16.151 21.217 148 HB2 PHE 21 HB2 PHE 21 5.184 16.096 18.509 149 HB3 PHE 21 HB3 PHE 21 4.361 17.390 19.374 150 HD1 PHE 21 HD1 PHE 21 5.325 19.413 18.901 151 HD2 PHE 21 HD2 PHE 21 7.833 16.025 19.490 152 HE1 PHE 21 HE1 PHE 21 7.311 20.843 18.649 153 HE2 PHE 21 HE2 PHE 21 9.823 17.450 19.240 154 HZ PHE 21 HZ PHE 21 9.563 19.863 18.819 155 H ALA 22 H ALA 22 2.893 15.015 20.330 156 HA ALA 22 HA ALA 22 1.424 16.882 21.836 157 HB1 ALA 22 HB1 ALA 22 -0.027 15.842 20.469 158 HB2 ALA 22 HB2 ALA 22 0.876 14.326 20.491 159 HB3 ALA 22 HB3 ALA 22 -0.209 14.726 21.823 160 H ILE 23 H ILE 23 2.564 13.613 22.638 161 HA ILE 23 HA ILE 23 1.458 13.563 25.243 162 HB ILE 23 HB ILE 23 2.123 11.515 24.068 163 HG12 ILE 23 HG12 ILE 23 3.278 10.412 25.972 164 HG13 ILE 23 HG13 ILE 23 3.607 11.998 26.660 165 HG21 ILE 23 HG21 ILE 23 4.131 12.379 22.973 166 HG22 ILE 23 HG22 ILE 23 4.949 12.456 24.532 167 HG23 ILE 23 HG23 ILE 23 4.472 10.896 23.863 168 HD11 ILE 23 HD11 ILE 23 1.345 12.382 27.124 169 HD12 ILE 23 HD12 ILE 23 0.821 11.060 26.080 170 HD13 ILE 23 HD13 ILE 23 1.642 10.711 27.601 171 H PHE 24 H PHE 24 4.532 14.662 23.950 172 HA PHE 24 HA PHE 24 5.852 14.975 26.439 173 HB2 PHE 24 HB2 PHE 24 6.920 14.886 24.129 174 HB3 PHE 24 HB3 PHE 24 6.421 16.563 23.938 175 HD1 PHE 24 HD1 PHE 24 8.328 14.349 26.242 176 HD2 PHE 24 HD2 PHE 24 7.830 18.255 24.627 177 HE1 PHE 24 HE1 PHE 24 10.373 15.083 27.397 178 HE2 PHE 24 HE2 PHE 24 9.875 18.995 25.778 179 HZ PHE 24 HZ PHE 24 11.150 17.408 27.165 180 H LEU 25 H LEU 25 3.915 17.139 24.430 181 HA LEU 25 HA LEU 25 4.356 19.473 25.975 182 HB2 LEU 25 HB2 LEU 25 2.711 18.667 23.721 183 HB3 LEU 25 HB3 LEU 25 1.872 19.784 24.795 184 HG LEU 25 HG LEU 25 4.241 21.061 24.500 185 HD11 LEU 25 HD11 LEU 25 4.645 20.991 21.994 186 HD12 LEU 25 HD12 LEU 25 3.753 19.470 21.999 187 HD13 LEU 25 HD13 LEU 25 5.240 19.623 22.934 188 HD21 LEU 25 HD21 LEU 25 1.720 21.683 24.071 189 HD22 LEU 25 HD22 LEU 25 2.185 21.465 22.384 190 HD23 LEU 25 HD23 LEU 25 3.026 22.649 23.385 191 H ILE 26 H ILE 26 1.807 17.014 25.987 192 HA ILE 26 HA ILE 26 0.174 18.239 27.932 193 HB ILE 26 HB ILE 26 0.449 15.337 27.152 194 HG12 ILE 26 HG12 ILE 26 -0.380 16.910 25.409 195 HG13 ILE 26 HG13 ILE 26 -1.581 15.713 25.882 196 HG21 ILE 26 HG21 ILE 26 -1.224 16.666 29.208 197 HG22 ILE 26 HG22 ILE 26 -1.976 15.406 28.230 198 HG23 ILE 26 HG23 ILE 26 -0.536 15.042 29.181 199 HD11 ILE 26 HD11 ILE 26 -1.855 18.045 27.512 200 HD12 ILE 26 HD12 ILE 26 -1.861 18.495 25.807 201 HD13 ILE 26 HD13 ILE 26 -3.015 17.306 26.409 202 H LEU 27 H LEU 27 2.730 15.790 28.192 203 HA LEU 27 HA LEU 27 2.503 15.356 30.961 204 HB2 LEU 27 HB2 LEU 27 4.384 14.703 28.834 205 HB3 LEU 27 HB3 LEU 27 5.166 14.942 30.395 206 HG LEU 27 HG LEU 27 4.649 12.583 29.958 207 HD11 LEU 27 HD11 LEU 27 4.190 12.177 32.122 208 HD12 LEU 27 HD12 LEU 27 2.752 13.196 32.121 209 HD13 LEU 27 HD13 LEU 27 4.349 13.927 32.276 210 HD21 LEU 27 HD21 LEU 27 1.757 12.960 30.358 211 HD22 LEU 27 HD22 LEU 27 2.625 11.799 29.354 212 HD23 LEU 27 HD23 LEU 27 2.381 13.451 28.783 213 H LEU 28 H LEU 28 4.469 17.626 29.088 214 HA LEU 28 HA LEU 28 5.945 18.671 31.246 215 HB2 LEU 28 HB2 LEU 28 6.138 18.954 28.623 216 HB3 LEU 28 HB3 LEU 28 5.208 20.414 28.952 217 HG LEU 28 HG LEU 28 7.592 20.892 28.816 218 HD11 LEU 28 HD11 LEU 28 7.156 21.211 31.708 219 HD12 LEU 28 HD12 LEU 28 5.873 21.828 30.668 220 HD13 LEU 28 HD13 LEU 28 7.525 22.413 30.472 221 HD21 LEU 28 HD21 LEU 28 9.214 19.924 30.185 222 HD22 LEU 28 HD22 LEU 28 8.211 18.560 29.688 223 HD23 LEU 28 HD23 LEU 28 8.016 19.260 31.296 224 H LEU 29 H LEU 29 2.877 19.662 29.784 225 HA LEU 29 HA LEU 29 2.512 21.994 31.327 226 HB2 LEU 29 HB2 LEU 29 1.204 20.794 29.243 227 HB3 LEU 29 HB3 LEU 29 0.068 20.576 30.573 228 HG LEU 29 HG LEU 29 1.099 23.302 30.356 229 HD11 LEU 29 HD11 LEU 29 -0.683 23.543 28.381 230 HD12 LEU 29 HD12 LEU 29 -0.046 21.945 27.994 231 HD13 LEU 29 HD13 LEU 29 1.044 23.327 28.095 232 HD21 LEU 29 HD21 LEU 29 -0.953 22.148 31.611 233 HD22 LEU 29 HD22 LEU 29 -1.770 22.611 30.118 234 HD23 LEU 29 HD23 LEU 29 -0.973 23.837 31.106 235 H VAL 30 H VAL 30 1.427 18.651 31.786 236 HA VAL 30 HA VAL 30 -0.107 19.085 34.100 237 HB VAL 30 HB VAL 30 1.392 16.594 33.277 238 HG11 VAL 30 HG11 VAL 30 0.876 16.194 35.494 239 HG12 VAL 30 HG12 VAL 30 -0.608 17.148 35.430 240 HG13 VAL 30 HG13 VAL 30 -0.546 15.558 34.668 241 HG21 VAL 30 HG21 VAL 30 -1.511 16.688 32.945 242 HG22 VAL 30 HG22 VAL 30 -0.640 17.840 31.934 243 HG23 VAL 30 HG23 VAL 30 -0.261 16.121 31.839 244 H TYR 31 H TYR 31 3.302 18.188 33.696 245 HA TYR 31 HA TYR 31 3.894 17.907 36.434 246 HB2 TYR 31 HB2 TYR 31 5.377 16.999 34.749 247 HB3 TYR 31 HB3 TYR 31 5.684 18.606 34.099 248 HD1 TYR 31 HD1 TYR 31 7.597 19.720 34.767 249 HD2 TYR 31 HD2 TYR 31 5.992 16.699 37.297 250 HE1 TYR 31 HE1 TYR 31 9.526 19.965 36.274 251 HE2 TYR 31 HE2 TYR 31 7.915 16.937 38.812 252 HH TYR 31 HH TYR 31 10.689 18.200 38.076 253 H ARG 32 H ARG 32 4.252 20.664 34.224 254 HA ARG 32 HA ARG 32 5.422 22.440 36.047 255 HB2 ARG 32 HB2 ARG 32 4.533 22.529 33.382 256 HB3 ARG 32 HB3 ARG 32 3.668 23.814 34.214 257 HG2 ARG 32 HG2 ARG 32 5.874 24.622 35.075 258 HG3 ARG 32 HG3 ARG 32 6.644 23.445 34.009 259 HD2 ARG 32 HD2 ARG 32 5.936 24.541 32.084 260 HD3 ARG 32 HD3 ARG 32 4.652 25.402 32.932 261 HE ARG 32 HE ARG 32 7.187 26.174 33.924 262 HH11 ARG 32 HH11 ARG 32 5.078 26.567 31.183 263 HH12 ARG 32 HH12 ARG 32 5.707 28.123 30.756 264 HH21 ARG 32 HH21 ARG 32 8.025 28.222 33.373 265 HH22 ARG 32 HH22 ARG 32 7.384 29.064 32.002 266 H MET 33 H MET 33 2.031 21.755 35.317 267 HA MET 33 HA MET 33 0.904 23.798 36.888 268 HB2 MET 33 HB2 MET 33 -0.154 22.129 35.140 269 HB3 MET 33 HB3 MET 33 -0.486 21.171 36.577 270 HG2 MET 33 HG2 MET 33 -2.329 22.359 36.847 271 HG3 MET 33 HG3 MET 33 -1.308 23.742 37.234 272 HE1 MET 33 HE1 MET 33 -4.066 24.588 36.212 273 HE2 MET 33 HE2 MET 33 -4.419 24.347 34.501 274 HE3 MET 33 HE3 MET 33 -4.273 22.956 35.577 275 H ARG 34 H ARG 34 2.367 20.796 37.726 276 HA ARG 34 HA ARG 34 1.097 20.366 40.221 277 HB2 ARG 34 HB2 ARG 34 2.813 18.922 38.687 278 HB3 ARG 34 HB3 ARG 34 3.901 19.486 39.949 279 HG2 ARG 34 HG2 ARG 34 3.214 17.708 41.098 280 HG3 ARG 34 HG3 ARG 34 1.732 18.622 41.381 281 HD2 ARG 34 HD2 ARG 34 0.716 16.852 40.450 282 HD3 ARG 34 HD3 ARG 34 1.249 17.560 38.926 283 HE ARG 34 HE ARG 34 2.674 15.798 38.667 284 HH11 ARG 34 HH11 ARG 34 1.766 16.014 42.020 285 HH12 ARG 34 HH12 ARG 34 2.567 14.545 42.467 286 HH21 ARG 34 HH21 ARG 34 3.733 13.861 39.243 287 HH22 ARG 34 HH22 ARG 34 3.686 13.321 40.887 288 H LYS 35 H LYS 35 3.811 22.321 39.201 289 HA LYS 35 HA LYS 35 5.011 22.818 41.672 290 HB2 LYS 35 HB2 LYS 35 4.762 24.803 39.409 291 HB3 LYS 35 HB3 LYS 35 6.013 24.750 40.645 292 HG2 LYS 35 HG2 LYS 35 6.602 22.453 39.706 293 HG3 LYS 35 HG3 LYS 35 5.596 22.896 38.325 294 HD2 LYS 35 HD2 LYS 35 7.386 23.907 37.467 295 HD3 LYS 35 HD3 LYS 35 7.236 25.108 38.752 296 HE2 LYS 35 HE2 LYS 35 8.646 23.643 40.191 297 HE3 LYS 35 HE3 LYS 35 8.886 22.584 38.802 298 HZ1 LYS 35 HZ1 LYS 35 9.603 25.462 38.813 299 HZ2 LYS 35 HZ2 LYS 35 10.001 24.310 37.640 300 HZ3 LYS 35 HZ3 LYS 35 10.696 24.224 39.180 Start of MODEL 10 1 H1 MET 1 H MET 1 1.521 -0.024 -11.702 2 HA MET 1 HA MET 1 3.558 -1.645 -10.402 3 HB2 MET 1 HB2 MET 1 3.424 1.342 -10.852 4 HB3 MET 1 HB3 MET 1 4.810 0.464 -10.218 5 HG2 MET 1 HG2 MET 1 3.953 -0.671 -12.715 6 HG3 MET 1 HG3 MET 1 4.244 1.059 -12.881 7 HE1 MET 1 HE1 MET 1 5.266 -2.297 -12.359 8 HE2 MET 1 HE2 MET 1 6.820 -2.276 -13.192 9 HE3 MET 1 HE3 MET 1 6.764 -2.256 -11.429 10 H GLU 2 H GLU 2 4.206 -1.369 -8.237 11 HA GLU 2 HA GLU 2 2.323 0.081 -6.509 12 HB2 GLU 2 HB2 GLU 2 2.528 -2.728 -6.710 13 HB3 GLU 2 HB3 GLU 2 3.279 -2.283 -5.184 14 HG2 GLU 2 HG2 GLU 2 0.783 -0.883 -5.599 15 HG3 GLU 2 HG3 GLU 2 0.579 -2.633 -5.665 16 H GLN 3 H GLN 3 3.628 1.694 -5.843 17 HA GLN 3 HA GLN 3 5.858 0.992 -4.132 18 HB2 GLN 3 HB2 GLN 3 6.223 2.052 -6.824 19 HB3 GLN 3 HB3 GLN 3 6.979 3.058 -5.596 20 HG2 GLN 3 HG2 GLN 3 8.521 1.491 -5.057 21 HG3 GLN 3 HG3 GLN 3 7.442 0.144 -5.415 22 HE21 GLN 3 HE21 GLN 3 10.224 1.441 -6.318 23 HE22 GLN 3 HE22 GLN 3 10.239 1.054 -8.002 24 H SER 4 H SER 4 5.654 2.167 -2.355 25 HA SER 4 HA SER 4 5.035 4.992 -2.503 26 HB2 SER 4 HB2 SER 4 3.307 3.768 -0.503 27 HB3 SER 4 HB3 SER 4 2.914 4.946 -1.755 28 HG SER 4 HG SER 4 2.446 2.290 -1.707 29 H THR 5 H THR 5 7.294 3.402 -1.673 30 HA THR 5 HA THR 5 7.448 3.161 1.134 31 HB THR 5 HB THR 5 9.987 3.327 0.683 32 HG1 THR 5 HG1 THR 5 10.308 4.134 -1.269 33 HG21 THR 5 HG21 THR 5 8.981 1.195 1.036 34 HG22 THR 5 HG22 THR 5 9.974 1.057 -0.415 35 HG23 THR 5 HG23 THR 5 8.224 1.218 -0.556 36 H GLU 6 H GLU 6 8.362 5.771 -1.081 37 HA GLU 6 HA GLU 6 9.581 7.457 0.792 38 HB2 GLU 6 HB2 GLU 6 9.829 7.872 -1.569 39 HB3 GLU 6 HB3 GLU 6 8.097 8.100 -1.758 40 HG2 GLU 6 HG2 GLU 6 8.126 10.188 -0.795 41 HG3 GLU 6 HG3 GLU 6 9.615 9.874 0.094 42 H VAL 7 H VAL 7 6.220 7.421 -0.383 43 HA VAL 7 HA VAL 7 5.314 9.503 1.297 44 HB VAL 7 HB VAL 7 4.037 8.896 -0.659 45 HG11 VAL 7 HG11 VAL 7 4.605 6.480 -0.618 46 HG12 VAL 7 HG12 VAL 7 3.439 6.267 0.690 47 HG13 VAL 7 HG13 VAL 7 2.893 6.795 -0.902 48 HG21 VAL 7 HG21 VAL 7 2.123 9.508 0.308 49 HG22 VAL 7 HG22 VAL 7 2.023 8.011 1.235 50 HG23 VAL 7 HG23 VAL 7 2.970 9.366 1.849 51 H LEU 8 H LEU 8 5.308 5.980 1.646 52 HA LEU 8 HA LEU 8 3.836 5.863 4.040 53 HB2 LEU 8 HB2 LEU 8 5.809 4.031 2.726 54 HB3 LEU 8 HB3 LEU 8 5.144 3.653 4.314 55 HG LEU 8 HG LEU 8 3.361 4.175 1.955 56 HD11 LEU 8 HD11 LEU 8 5.224 2.161 1.957 57 HD12 LEU 8 HD12 LEU 8 3.709 2.163 1.055 58 HD13 LEU 8 HD13 LEU 8 3.796 1.374 2.630 59 HD21 LEU 8 HD21 LEU 8 1.964 2.522 3.359 60 HD22 LEU 8 HD22 LEU 8 2.112 4.190 3.914 61 HD23 LEU 8 HD23 LEU 8 3.084 2.921 4.662 62 H ALA 9 H ALA 9 7.325 6.050 3.435 63 HA ALA 9 HA ALA 9 8.158 5.855 6.113 64 HB1 ALA 9 HB1 ALA 9 9.709 5.545 4.284 65 HB2 ALA 9 HB2 ALA 9 9.494 7.222 3.780 66 HB3 ALA 9 HB3 ALA 9 10.267 6.857 5.322 67 H ALA 10 H ALA 10 7.372 8.667 4.102 68 HA ALA 10 HA ALA 10 8.077 10.647 5.968 69 HB1 ALA 10 HB1 ALA 10 7.048 12.177 4.552 70 HB2 ALA 10 HB2 ALA 10 7.525 10.873 3.464 71 HB3 ALA 10 HB3 ALA 10 5.850 11.007 3.998 72 H VAL 11 H VAL 11 4.974 9.046 5.321 73 HA VAL 11 HA VAL 11 3.437 10.501 7.167 74 HB VAL 11 HB VAL 11 3.038 7.659 6.221 75 HG11 VAL 11 HG11 VAL 11 0.561 8.607 6.726 76 HG12 VAL 11 HG12 VAL 11 1.511 7.670 7.881 77 HG13 VAL 11 HG13 VAL 11 1.481 9.431 7.984 78 HG21 VAL 11 HG21 VAL 11 2.213 8.455 4.303 79 HG22 VAL 11 HG22 VAL 11 1.319 9.738 5.120 80 HG23 VAL 11 HG23 VAL 11 3.022 9.965 4.722 81 H ILE 12 H ILE 12 5.238 7.467 7.503 82 HA ILE 12 HA ILE 12 4.444 6.859 10.126 83 HB ILE 12 HB ILE 12 7.020 6.172 8.708 84 HG12 ILE 12 HG12 ILE 12 4.788 4.248 9.208 85 HG13 ILE 12 HG13 ILE 12 4.620 5.408 7.895 86 HG21 ILE 12 HG21 ILE 12 6.690 4.196 10.500 87 HG22 ILE 12 HG22 ILE 12 7.665 5.634 10.802 88 HG23 ILE 12 HG23 ILE 12 6.011 5.548 11.407 89 HD11 ILE 12 HD11 ILE 12 6.780 4.581 6.984 90 HD12 ILE 12 HD12 ILE 12 6.762 3.326 8.223 91 HD13 ILE 12 HD13 ILE 12 5.489 3.380 7.003 92 H ALA 13 H ALA 13 7.290 8.618 8.922 93 HA ALA 13 HA ALA 13 8.468 9.131 11.413 94 HB1 ALA 13 HB1 ALA 13 10.038 9.860 10.026 95 HB2 ALA 13 HB2 ALA 13 8.890 9.912 8.687 96 HB3 ALA 13 HB3 ALA 13 9.071 11.309 9.748 97 H GLY 14 H GLY 14 6.115 10.998 9.525 98 HA2 GLY 14 HA2 GLY 14 6.041 13.250 11.226 99 HA3 GLY 14 HA3 GLY 14 4.785 12.782 10.089 100 H GLY 15 H GLY 15 4.238 10.216 11.251 101 HA2 GLY 15 HA2 GLY 15 2.360 11.023 13.232 102 HA3 GLY 15 HA3 GLY 15 2.705 9.371 12.744 103 H VAL 16 H VAL 16 5.450 9.303 13.380 104 HA VAL 16 HA VAL 16 5.315 8.674 16.135 105 HB VAL 16 HB VAL 16 7.748 9.005 14.374 106 HG11 VAL 16 HG11 VAL 16 8.537 7.255 16.222 107 HG12 VAL 16 HG12 VAL 16 8.743 8.997 16.416 108 HG13 VAL 16 HG13 VAL 16 7.390 8.175 17.195 109 HG21 VAL 16 HG21 VAL 16 7.607 6.740 13.860 110 HG22 VAL 16 HG22 VAL 16 6.511 6.403 15.200 111 HG23 VAL 16 HG23 VAL 16 5.928 7.275 13.782 112 H ILE 17 H ILE 17 6.924 11.314 14.378 113 HA ILE 17 HA ILE 17 8.007 12.576 16.656 114 HB ILE 17 HB ILE 17 8.849 13.072 14.431 115 HG12 ILE 17 HG12 ILE 17 8.915 15.536 14.588 116 HG13 ILE 17 HG13 ILE 17 7.580 15.491 15.735 117 HG21 ILE 17 HG21 ILE 17 6.404 14.677 13.809 118 HG22 ILE 17 HG22 ILE 17 7.632 14.038 12.717 119 HG23 ILE 17 HG23 ILE 17 6.452 12.951 13.450 120 HD11 ILE 17 HD11 ILE 17 8.911 14.473 17.388 121 HD12 ILE 17 HD12 ILE 17 10.193 14.104 16.234 122 HD13 ILE 17 HD13 ILE 17 9.885 15.775 16.705 123 H GLY 18 H GLY 18 4.978 13.077 14.877 124 HA2 GLY 18 HA2 GLY 18 4.097 15.324 16.335 125 HA3 GLY 18 HA3 GLY 18 3.070 14.230 15.421 126 H PHE 19 H PHE 19 3.520 11.858 16.814 127 HA PHE 19 HA PHE 19 1.712 12.145 18.960 128 HB2 PHE 19 HB2 PHE 19 3.339 9.928 17.825 129 HB3 PHE 19 HB3 PHE 19 2.721 9.720 19.461 130 HD1 PHE 19 HD1 PHE 19 0.868 8.381 19.498 131 HD2 PHE 19 HD2 PHE 19 1.330 11.163 16.310 132 HE1 PHE 19 HE1 PHE 19 -1.312 7.694 18.587 133 HE2 PHE 19 HE2 PHE 19 -0.849 10.481 15.394 134 HZ PHE 19 HZ PHE 19 -2.174 8.745 16.533 135 H LEU 20 H LEU 20 5.224 11.717 18.851 136 HA LEU 20 HA LEU 20 5.623 11.508 21.633 137 HB2 LEU 20 HB2 LEU 20 7.199 11.352 19.379 138 HB3 LEU 20 HB3 LEU 20 7.793 12.803 20.183 139 HG LEU 20 HG LEU 20 8.004 11.330 22.271 140 HD11 LEU 20 HD11 LEU 20 7.838 9.180 20.164 141 HD12 LEU 20 HD12 LEU 20 6.664 9.460 21.449 142 HD13 LEU 20 HD13 LEU 20 8.304 8.950 21.849 143 HD21 LEU 20 HD21 LEU 20 10.001 12.045 21.335 144 HD22 LEU 20 HD22 LEU 20 9.722 11.178 19.824 145 HD23 LEU 20 HD23 LEU 20 10.156 10.288 21.285 146 H PHE 21 H PHE 21 5.473 14.267 19.450 147 HA PHE 21 HA PHE 21 6.326 16.202 21.347 148 HB2 PHE 21 HB2 PHE 21 5.711 16.177 18.614 149 HB3 PHE 21 HB3 PHE 21 4.550 17.287 19.334 150 HD1 PHE 21 HD1 PHE 21 7.312 17.440 17.548 151 HD2 PHE 21 HD2 PHE 21 6.040 18.568 21.450 152 HE1 PHE 21 HE1 PHE 21 9.032 19.198 17.597 153 HE2 PHE 21 HE2 PHE 21 7.758 20.329 21.505 154 HZ PHE 21 HZ PHE 21 9.256 20.646 19.576 155 H ALA 22 H ALA 22 3.155 15.035 20.308 156 HA ALA 22 HA ALA 22 1.595 16.869 21.763 157 HB1 ALA 22 HB1 ALA 22 0.219 15.821 20.327 158 HB2 ALA 22 HB2 ALA 22 1.142 14.318 20.375 159 HB3 ALA 22 HB3 ALA 22 -0.004 14.690 21.662 160 H ILE 23 H ILE 23 2.747 13.611 22.590 161 HA ILE 23 HA ILE 23 1.527 13.521 25.143 162 HB ILE 23 HB ILE 23 2.276 11.493 23.987 163 HG12 ILE 23 HG12 ILE 23 4.000 11.093 26.234 164 HG13 ILE 23 HG13 ILE 23 2.674 12.140 26.726 165 HG21 ILE 23 HG21 ILE 23 4.643 10.914 23.878 166 HG22 ILE 23 HG22 ILE 23 4.310 12.393 22.978 167 HG23 ILE 23 HG23 ILE 23 5.065 12.481 24.569 168 HD11 ILE 23 HD11 ILE 23 2.688 9.297 26.110 169 HD12 ILE 23 HD12 ILE 23 1.554 10.250 27.068 170 HD13 ILE 23 HD13 ILE 23 1.388 10.183 25.314 171 H PHE 24 H PHE 24 4.639 14.680 23.998 172 HA PHE 24 HA PHE 24 5.840 14.995 26.546 173 HB2 PHE 24 HB2 PHE 24 6.468 15.706 23.773 174 HB3 PHE 24 HB3 PHE 24 7.067 16.871 24.949 175 HD1 PHE 24 HD1 PHE 24 8.110 14.275 23.084 176 HD2 PHE 24 HD2 PHE 24 7.974 15.429 27.178 177 HE1 PHE 24 HE1 PHE 24 10.022 12.801 23.559 178 HE2 PHE 24 HE2 PHE 24 9.886 13.957 27.660 179 HZ PHE 24 HZ PHE 24 10.913 12.641 25.849 180 H LEU 25 H LEU 25 3.960 17.144 24.468 181 HA LEU 25 HA LEU 25 4.292 19.472 26.047 182 HB2 LEU 25 HB2 LEU 25 3.008 18.760 23.635 183 HB3 LEU 25 HB3 LEU 25 1.786 19.495 24.672 184 HG LEU 25 HG LEU 25 4.407 20.778 23.903 185 HD11 LEU 25 HD11 LEU 25 3.426 21.283 21.979 186 HD12 LEU 25 HD12 LEU 25 2.255 22.237 22.889 187 HD13 LEU 25 HD13 LEU 25 1.906 20.554 22.497 188 HD21 LEU 25 HD21 LEU 25 2.227 22.448 24.885 189 HD22 LEU 25 HD22 LEU 25 3.936 22.438 25.323 190 HD23 LEU 25 HD23 LEU 25 2.824 21.299 26.083 191 H ILE 26 H ILE 26 1.786 16.972 25.929 192 HA ILE 26 HA ILE 26 0.050 18.155 27.810 193 HB ILE 26 HB ILE 26 0.405 15.264 27.022 194 HG12 ILE 26 HG12 ILE 26 -0.368 16.835 25.254 195 HG13 ILE 26 HG13 ILE 26 -1.571 15.618 25.665 196 HG21 ILE 26 HG21 ILE 26 -1.288 16.523 29.073 197 HG22 ILE 26 HG22 ILE 26 -2.109 15.395 27.996 198 HG23 ILE 26 HG23 ILE 26 -0.715 14.861 28.935 199 HD11 ILE 26 HD11 ILE 26 -3.052 17.177 26.174 200 HD12 ILE 26 HD12 ILE 26 -1.926 17.964 27.281 201 HD13 ILE 26 HD13 ILE 26 -1.913 18.379 25.567 202 H LEU 27 H LEU 27 2.627 15.740 28.164 203 HA LEU 27 HA LEU 27 2.288 15.284 30.917 204 HB2 LEU 27 HB2 LEU 27 4.513 14.886 28.973 205 HB3 LEU 27 HB3 LEU 27 4.839 14.704 30.696 206 HG LEU 27 HG LEU 27 2.625 13.175 29.369 207 HD11 LEU 27 HD11 LEU 27 3.995 11.635 28.473 208 HD12 LEU 27 HD12 LEU 27 5.193 11.798 29.756 209 HD13 LEU 27 HD13 LEU 27 5.151 12.967 28.436 210 HD21 LEU 27 HD21 LEU 27 2.620 13.196 31.781 211 HD22 LEU 27 HD22 LEU 27 4.321 12.732 31.823 212 HD23 LEU 27 HD23 LEU 27 3.112 11.601 31.212 213 H LEU 28 H LEU 28 4.268 17.614 29.144 214 HA LEU 28 HA LEU 28 5.637 18.660 31.380 215 HB2 LEU 28 HB2 LEU 28 5.120 19.554 28.592 216 HB3 LEU 28 HB3 LEU 28 5.714 20.742 29.750 217 HG LEU 28 HG LEU 28 7.136 18.141 29.244 218 HD11 LEU 28 HD11 LEU 28 6.806 19.605 27.168 219 HD12 LEU 28 HD12 LEU 28 8.449 19.117 27.582 220 HD13 LEU 28 HD13 LEU 28 7.890 20.745 27.964 221 HD21 LEU 28 HD21 LEU 28 7.452 20.162 31.140 222 HD22 LEU 28 HD22 LEU 28 8.727 20.438 29.953 223 HD23 LEU 28 HD23 LEU 28 8.592 18.872 30.755 224 H LEU 29 H LEU 29 2.608 19.558 29.799 225 HA LEU 29 HA LEU 29 2.134 21.911 31.284 226 HB2 LEU 29 HB2 LEU 29 0.972 20.797 29.145 227 HB3 LEU 29 HB3 LEU 29 -0.177 20.296 30.383 228 HG LEU 29 HG LEU 29 -0.432 22.702 31.010 229 HD11 LEU 29 HD11 LEU 29 0.309 24.064 28.764 230 HD12 LEU 29 HD12 LEU 29 1.659 22.952 28.985 231 HD13 LEU 29 HD13 LEU 29 1.199 24.048 30.286 232 HD21 LEU 29 HD21 LEU 29 -2.129 21.727 29.670 233 HD22 LEU 29 HD22 LEU 29 -1.122 21.796 28.223 234 HD23 LEU 29 HD23 LEU 29 -1.740 23.285 28.939 235 H VAL 30 H VAL 30 0.957 18.581 31.712 236 HA VAL 30 HA VAL 30 -0.533 19.095 34.054 237 HB VAL 30 HB VAL 30 -0.871 17.083 32.678 238 HG11 VAL 30 HG11 VAL 30 1.440 16.598 32.114 239 HG12 VAL 30 HG12 VAL 30 1.791 16.213 33.800 240 HG13 VAL 30 HG13 VAL 30 0.689 15.194 32.873 241 HG21 VAL 30 HG21 VAL 30 -1.684 15.943 34.434 242 HG22 VAL 30 HG22 VAL 30 -0.109 15.836 35.221 243 HG23 VAL 30 HG23 VAL 30 -1.078 17.300 35.384 244 H TYR 31 H TYR 31 2.833 18.307 33.495 245 HA TYR 31 HA TYR 31 3.498 17.636 36.164 246 HB2 TYR 31 HB2 TYR 31 4.941 18.167 33.659 247 HB3 TYR 31 HB3 TYR 31 5.837 18.595 35.112 248 HD1 TYR 31 HD1 TYR 31 5.627 16.134 32.825 249 HD2 TYR 31 HD2 TYR 31 5.288 16.603 37.040 250 HE1 TYR 31 HE1 TYR 31 6.244 13.773 33.131 251 HE2 TYR 31 HE2 TYR 31 5.906 14.244 37.358 252 HH TYR 31 HH TYR 31 6.911 12.442 36.278 253 H ARG 32 H ARG 32 4.096 20.625 34.309 254 HA ARG 32 HA ARG 32 5.130 22.149 36.388 255 HB2 ARG 32 HB2 ARG 32 4.100 22.627 33.720 256 HB3 ARG 32 HB3 ARG 32 3.678 23.941 34.810 257 HG2 ARG 32 HG2 ARG 32 5.784 24.686 34.923 258 HG3 ARG 32 HG3 ARG 32 6.459 23.059 35.019 259 HD2 ARG 32 HD2 ARG 32 7.252 23.731 32.974 260 HD3 ARG 32 HD3 ARG 32 5.744 22.950 32.500 261 HE ARG 32 HE ARG 32 5.255 25.673 32.978 262 HH11 ARG 32 HH11 ARG 32 6.893 23.600 30.710 263 HH12 ARG 32 HH12 ARG 32 6.710 24.694 29.379 264 HH21 ARG 32 HH21 ARG 32 5.009 27.121 31.233 265 HH22 ARG 32 HH22 ARG 32 5.640 26.697 29.678 266 H MET 33 H MET 33 1.770 21.640 35.414 267 HA MET 33 HA MET 33 0.598 23.514 37.153 268 HB2 MET 33 HB2 MET 33 -0.296 21.339 35.437 269 HB3 MET 33 HB3 MET 33 -1.261 21.464 36.902 270 HG2 MET 33 HG2 MET 33 -2.410 22.847 35.492 271 HG3 MET 33 HG3 MET 33 -1.343 23.994 36.298 272 HE1 MET 33 HE1 MET 33 -1.235 25.711 35.125 273 HE2 MET 33 HE2 MET 33 0.007 25.924 33.892 274 HE3 MET 33 HE3 MET 33 -1.685 25.758 33.420 275 H ARG 34 H ARG 34 1.967 20.405 37.714 276 HA ARG 34 HA ARG 34 0.566 19.806 40.126 277 HB2 ARG 34 HB2 ARG 34 2.279 18.429 38.441 278 HB3 ARG 34 HB3 ARG 34 3.231 18.638 39.905 279 HG2 ARG 34 HG2 ARG 34 2.161 16.603 40.221 280 HG3 ARG 34 HG3 ARG 34 1.172 17.740 41.139 281 HD2 ARG 34 HD2 ARG 34 -0.040 17.882 38.736 282 HD3 ARG 34 HD3 ARG 34 0.545 16.219 38.691 283 HE ARG 34 HE ARG 34 -0.768 16.804 41.148 284 HH11 ARG 34 HH11 ARG 34 -1.330 16.032 37.800 285 HH12 ARG 34 HH12 ARG 34 -2.882 15.321 38.089 286 HH21 ARG 34 HH21 ARG 34 -2.811 15.869 41.542 287 HH22 ARG 34 HH22 ARG 34 -3.724 15.229 40.218 288 H LYS 35 H LYS 35 3.474 21.574 39.324 289 HA LYS 35 HA LYS 35 4.706 21.689 41.818 290 HB2 LYS 35 HB2 LYS 35 5.347 22.655 39.415 291 HB3 LYS 35 HB3 LYS 35 4.714 24.137 40.122 292 HG2 LYS 35 HG2 LYS 35 6.999 24.218 40.555 293 HG3 LYS 35 HG3 LYS 35 6.292 23.666 42.076 294 HD2 LYS 35 HD2 LYS 35 7.429 21.750 41.995 295 HD3 LYS 35 HD3 LYS 35 6.910 21.442 40.336 296 HE2 LYS 35 HE2 LYS 35 9.124 21.659 39.924 297 HE3 LYS 35 HE3 LYS 35 8.710 23.372 39.880 298 HZ1 LYS 35 HZ1 LYS 35 9.171 22.876 42.516 299 HZ2 LYS 35 HZ2 LYS 35 10.254 23.609 41.444 300 HZ3 LYS 35 HZ3 LYS 35 10.353 21.947 41.741 Start of MODEL 11 1 H1 MET 1 H MET 1 13.912 6.825 -5.422 2 HA MET 1 HA MET 1 13.712 9.758 -5.626 3 HB2 MET 1 HB2 MET 1 15.509 8.730 -7.006 4 HB3 MET 1 HB3 MET 1 14.285 7.790 -7.849 5 HG2 MET 1 HG2 MET 1 14.377 9.477 -9.319 6 HG3 MET 1 HG3 MET 1 13.282 10.259 -8.181 7 HE1 MET 1 HE1 MET 1 17.446 10.858 -9.370 8 HE2 MET 1 HE2 MET 1 16.011 10.272 -10.211 9 HE3 MET 1 HE3 MET 1 16.349 12.002 -10.144 10 H GLU 2 H GLU 2 11.533 9.828 -5.002 11 HA GLU 2 HA GLU 2 9.279 9.824 -5.307 12 HB2 GLU 2 HB2 GLU 2 10.251 10.681 -7.610 13 HB3 GLU 2 HB3 GLU 2 9.604 9.156 -8.200 14 HG2 GLU 2 HG2 GLU 2 7.656 10.483 -6.569 15 HG3 GLU 2 HG3 GLU 2 8.241 11.570 -7.827 16 H GLN 3 H GLN 3 9.090 7.878 -4.075 17 HA GLN 3 HA GLN 3 7.976 5.692 -5.645 18 HB2 GLN 3 HB2 GLN 3 10.566 5.550 -4.499 19 HB3 GLN 3 HB3 GLN 3 9.516 4.518 -3.537 20 HG2 GLN 3 HG2 GLN 3 8.912 4.000 -6.237 21 HG3 GLN 3 HG3 GLN 3 10.669 4.031 -6.098 22 HE21 GLN 3 HE21 GLN 3 11.557 2.757 -4.242 23 HE22 GLN 3 HE22 GLN 3 10.821 1.230 -3.910 24 H SER 4 H SER 4 6.707 4.192 -4.348 25 HA SER 4 HA SER 4 4.970 5.463 -2.591 26 HB2 SER 4 HB2 SER 4 5.543 2.497 -2.810 27 HB3 SER 4 HB3 SER 4 4.117 3.214 -2.060 28 HG SER 4 HG SER 4 4.880 3.287 -4.786 29 H THR 5 H THR 5 7.808 3.470 -1.920 30 HA THR 5 HA THR 5 7.580 3.135 0.807 31 HB THR 5 HB THR 5 10.245 3.494 0.630 32 HG1 THR 5 HG1 THR 5 10.623 2.606 -1.642 33 HG21 THR 5 HG21 THR 5 8.491 1.203 -0.170 34 HG22 THR 5 HG22 THR 5 9.504 1.389 1.262 35 HG23 THR 5 HG23 THR 5 10.243 1.064 -0.306 36 H GLU 6 H GLU 6 8.843 5.927 -0.967 37 HA GLU 6 HA GLU 6 9.796 7.398 1.206 38 HB2 GLU 6 HB2 GLU 6 10.176 7.916 -1.218 39 HB3 GLU 6 HB3 GLU 6 8.531 8.532 -1.292 40 HG2 GLU 6 HG2 GLU 6 9.704 9.829 0.881 41 HG3 GLU 6 HG3 GLU 6 10.931 9.823 -0.384 42 H VAL 7 H VAL 7 6.584 7.396 -0.310 43 HA VAL 7 HA VAL 7 5.430 9.380 1.307 44 HB VAL 7 HB VAL 7 4.044 7.033 0.004 45 HG11 VAL 7 HG11 VAL 7 2.107 8.665 -0.019 46 HG12 VAL 7 HG12 VAL 7 2.545 7.995 1.554 47 HG13 VAL 7 HG13 VAL 7 3.035 9.634 1.126 48 HG21 VAL 7 HG21 VAL 7 4.824 9.744 -1.033 49 HG22 VAL 7 HG22 VAL 7 5.199 8.161 -1.714 50 HG23 VAL 7 HG23 VAL 7 3.548 8.779 -1.775 51 H LEU 8 H LEU 8 5.534 5.853 1.668 52 HA LEU 8 HA LEU 8 3.929 5.681 3.964 53 HB2 LEU 8 HB2 LEU 8 5.202 3.903 2.321 54 HB3 LEU 8 HB3 LEU 8 6.122 3.748 3.817 55 HG LEU 8 HG LEU 8 3.126 3.498 3.747 56 HD11 LEU 8 HD11 LEU 8 4.326 1.868 2.203 57 HD12 LEU 8 HD12 LEU 8 3.279 1.178 3.443 58 HD13 LEU 8 HD13 LEU 8 5.029 1.176 3.665 59 HD21 LEU 8 HD21 LEU 8 4.971 2.155 5.668 60 HD22 LEU 8 HD22 LEU 8 3.302 2.680 5.888 61 HD23 LEU 8 HD23 LEU 8 4.606 3.868 5.874 62 H ALA 9 H ALA 9 7.439 6.023 3.594 63 HA ALA 9 HA ALA 9 8.101 5.872 6.320 64 HB1 ALA 9 HB1 ALA 9 9.762 5.645 4.551 65 HB2 ALA 9 HB2 ALA 9 9.536 7.338 4.109 66 HB3 ALA 9 HB3 ALA 9 10.215 6.921 5.681 67 H ALA 10 H ALA 10 7.187 8.599 4.271 68 HA ALA 10 HA ALA 10 7.716 10.633 6.164 69 HB1 ALA 10 HB1 ALA 10 6.219 10.444 3.610 70 HB2 ALA 10 HB2 ALA 10 5.872 11.815 4.665 71 HB3 ALA 10 HB3 ALA 10 7.516 11.540 4.087 72 H VAL 11 H VAL 11 4.845 8.706 5.444 73 HA VAL 11 HA VAL 11 3.061 10.119 7.123 74 HB VAL 11 HB VAL 11 2.946 7.231 6.242 75 HG11 VAL 11 HG11 VAL 11 0.460 7.601 6.620 76 HG12 VAL 11 HG12 VAL 11 1.466 7.443 8.061 77 HG13 VAL 11 HG13 VAL 11 0.921 9.036 7.535 78 HG21 VAL 11 HG21 VAL 11 1.109 9.035 4.944 79 HG22 VAL 11 HG22 VAL 11 2.776 9.561 4.716 80 HG23 VAL 11 HG23 VAL 11 2.291 7.936 4.234 81 H ILE 12 H ILE 12 4.936 7.139 7.636 82 HA ILE 12 HA ILE 12 4.076 6.695 10.284 83 HB ILE 12 HB ILE 12 5.111 4.913 9.010 84 HG12 ILE 12 HG12 ILE 12 6.683 4.073 10.700 85 HG13 ILE 12 HG13 ILE 12 6.829 5.691 11.378 86 HG21 ILE 12 HG21 ILE 12 6.692 6.406 7.775 87 HG22 ILE 12 HG22 ILE 12 7.713 6.416 9.213 88 HG23 ILE 12 HG23 ILE 12 7.407 4.904 8.358 89 HD11 ILE 12 HD11 ILE 12 4.144 4.413 11.200 90 HD12 ILE 12 HD12 ILE 12 5.261 3.941 12.482 91 HD13 ILE 12 HD13 ILE 12 4.745 5.621 12.336 92 H ALA 13 H ALA 13 6.902 8.376 8.962 93 HA ALA 13 HA ALA 13 8.164 8.940 11.408 94 HB1 ALA 13 HB1 ALA 13 9.275 10.793 10.111 95 HB2 ALA 13 HB2 ALA 13 9.426 9.178 9.417 96 HB3 ALA 13 HB3 ALA 13 8.270 10.324 8.739 97 H GLY 14 H GLY 14 5.796 10.785 9.515 98 HA2 GLY 14 HA2 GLY 14 5.786 13.079 11.164 99 HA3 GLY 14 HA3 GLY 14 4.508 12.607 10.054 100 H GLY 15 H GLY 15 3.896 10.093 11.256 101 HA2 GLY 15 HA2 GLY 15 2.071 10.972 13.250 102 HA3 GLY 15 HA3 GLY 15 2.379 9.303 12.793 103 H VAL 16 H VAL 16 5.122 9.180 13.401 104 HA VAL 16 HA VAL 16 5.008 8.621 16.171 105 HB VAL 16 HB VAL 16 7.421 8.848 14.367 106 HG11 VAL 16 HG11 VAL 16 7.101 8.162 17.221 107 HG12 VAL 16 HG12 VAL 16 8.167 7.118 16.278 108 HG13 VAL 16 HG13 VAL 16 8.480 8.852 16.365 109 HG21 VAL 16 HG21 VAL 16 6.195 6.284 15.295 110 HG22 VAL 16 HG22 VAL 16 5.518 7.133 13.905 111 HG23 VAL 16 HG23 VAL 16 7.198 6.599 13.878 112 H ILE 17 H ILE 17 6.605 11.202 14.324 113 HA ILE 17 HA ILE 17 7.792 12.485 16.535 114 HB ILE 17 HB ILE 17 6.982 13.605 13.851 115 HG12 ILE 17 HG12 ILE 17 8.677 11.787 13.824 116 HG13 ILE 17 HG13 ILE 17 9.319 13.327 13.265 117 HG21 ILE 17 HG21 ILE 17 7.357 15.612 14.743 118 HG22 ILE 17 HG22 ILE 17 7.991 14.913 16.232 119 HG23 ILE 17 HG23 ILE 17 9.054 15.144 14.845 120 HD11 ILE 17 HD11 ILE 17 10.888 13.309 14.824 121 HD12 ILE 17 HD12 ILE 17 9.704 13.023 16.100 122 HD13 ILE 17 HD13 ILE 17 10.389 11.663 15.211 123 H GLY 18 H GLY 18 4.711 13.042 14.855 124 HA2 GLY 18 HA2 GLY 18 3.918 15.292 16.356 125 HA3 GLY 18 HA3 GLY 18 2.841 14.224 15.467 126 H PHE 19 H PHE 19 3.300 11.834 16.835 127 HA PHE 19 HA PHE 19 1.554 12.132 19.028 128 HB2 PHE 19 HB2 PHE 19 3.136 9.903 17.851 129 HB3 PHE 19 HB3 PHE 19 2.554 9.698 19.500 130 HD1 PHE 19 HD1 PHE 19 0.786 8.226 19.446 131 HD2 PHE 19 HD2 PHE 19 1.006 11.306 16.516 132 HE1 PHE 19 HE1 PHE 19 -1.419 7.559 18.584 133 HE2 PHE 19 HE2 PHE 19 -1.199 10.644 15.650 134 HZ PHE 19 HZ PHE 19 -2.415 8.769 16.684 135 H LEU 20 H LEU 20 5.059 11.678 18.830 136 HA LEU 20 HA LEU 20 5.529 11.456 21.600 137 HB2 LEU 20 HB2 LEU 20 7.045 11.201 19.366 138 HB3 LEU 20 HB3 LEU 20 7.625 12.745 19.989 139 HG LEU 20 HG LEU 20 7.770 11.265 22.230 140 HD11 LEU 20 HD11 LEU 20 7.888 9.372 19.927 141 HD12 LEU 20 HD12 LEU 20 7.166 9.162 21.522 142 HD13 LEU 20 HD13 LEU 20 8.919 9.103 21.333 143 HD21 LEU 20 HD21 LEU 20 9.815 11.476 20.025 144 HD22 LEU 20 HD22 LEU 20 10.171 10.967 21.676 145 HD23 LEU 20 HD23 LEU 20 9.573 12.597 21.364 146 H PHE 21 H PHE 21 5.377 14.230 19.427 147 HA PHE 21 HA PHE 21 6.278 16.151 21.307 148 HB2 PHE 21 HB2 PHE 21 5.312 16.132 18.588 149 HB3 PHE 21 HB3 PHE 21 4.571 17.451 19.488 150 HD1 PHE 21 HD1 PHE 21 5.731 19.429 19.831 151 HD2 PHE 21 HD2 PHE 21 7.864 15.924 18.699 152 HE1 PHE 21 HE1 PHE 21 7.777 20.768 19.555 153 HE2 PHE 21 HE2 PHE 21 9.913 17.257 18.422 154 HZ PHE 21 HZ PHE 21 9.872 19.682 18.851 155 H ALA 22 H ALA 22 3.064 15.026 20.346 156 HA ALA 22 HA ALA 22 1.567 16.858 21.866 157 HB1 ALA 22 HB1 ALA 22 1.048 14.322 20.469 158 HB2 ALA 22 HB2 ALA 22 -0.060 14.700 21.789 159 HB3 ALA 22 HB3 ALA 22 0.143 15.836 20.455 160 H ILE 23 H ILE 23 2.762 13.605 22.633 161 HA ILE 23 HA ILE 23 1.590 13.458 25.203 162 HB ILE 23 HB ILE 23 3.986 12.012 24.071 163 HG12 ILE 23 HG12 ILE 23 1.813 11.602 22.937 164 HG13 ILE 23 HG13 ILE 23 2.448 10.166 23.734 165 HG21 ILE 23 HG21 ILE 23 3.298 10.367 25.974 166 HG22 ILE 23 HG22 ILE 23 4.327 11.753 26.333 167 HG23 ILE 23 HG23 ILE 23 2.605 11.813 26.708 168 HD11 ILE 23 HD11 ILE 23 0.751 11.601 25.535 169 HD12 ILE 23 HD12 ILE 23 -0.089 11.304 24.013 170 HD13 ILE 23 HD13 ILE 23 0.597 9.956 24.919 171 H PHE 24 H PHE 24 4.667 14.686 24.028 172 HA PHE 24 HA PHE 24 5.859 15.024 26.588 173 HB2 PHE 24 HB2 PHE 24 6.554 15.555 23.825 174 HB3 PHE 24 HB3 PHE 24 7.028 16.894 24.865 175 HD1 PHE 24 HD1 PHE 24 8.187 14.011 23.431 176 HD2 PHE 24 HD2 PHE 24 8.082 15.968 27.209 177 HE1 PHE 24 HE1 PHE 24 10.179 12.750 24.135 178 HE2 PHE 24 HE2 PHE 24 10.074 14.711 27.919 179 HZ PHE 24 HZ PHE 24 11.126 13.100 26.381 180 H LEU 25 H LEU 25 3.928 17.085 24.487 181 HA LEU 25 HA LEU 25 4.276 19.479 25.961 182 HB2 LEU 25 HB2 LEU 25 2.284 18.529 23.941 183 HB3 LEU 25 HB3 LEU 25 2.041 20.059 24.781 184 HG LEU 25 HG LEU 25 4.601 19.525 23.322 185 HD11 LEU 25 HD11 LEU 25 3.527 20.709 21.374 186 HD12 LEU 25 HD12 LEU 25 1.972 20.372 22.133 187 HD13 LEU 25 HD13 LEU 25 3.016 19.041 21.635 188 HD21 LEU 25 HD21 LEU 25 3.164 22.132 23.514 189 HD22 LEU 25 HD22 LEU 25 4.894 21.803 23.407 190 HD23 LEU 25 HD23 LEU 25 4.033 21.518 24.921 191 H ILE 26 H ILE 26 1.745 16.991 25.980 192 HA ILE 26 HA ILE 26 0.107 18.227 27.917 193 HB ILE 26 HB ILE 26 -0.785 16.473 26.514 194 HG12 ILE 26 HG12 ILE 26 -1.885 15.089 28.225 195 HG13 ILE 26 HG13 ILE 26 -0.679 15.587 29.406 196 HG21 ILE 26 HG21 ILE 26 -0.088 14.181 26.644 197 HG22 ILE 26 HG22 ILE 26 1.330 15.182 26.336 198 HG23 ILE 26 HG23 ILE 26 1.033 14.550 27.955 199 HD11 ILE 26 HD11 ILE 26 -2.843 16.771 29.602 200 HD12 ILE 26 HD12 ILE 26 -1.467 17.843 29.343 201 HD13 ILE 26 HD13 ILE 26 -2.559 17.472 28.009 202 H LEU 27 H LEU 27 2.689 15.815 28.180 203 HA LEU 27 HA LEU 27 2.439 15.336 30.940 204 HB2 LEU 27 HB2 LEU 27 3.899 14.243 28.971 205 HB3 LEU 27 HB3 LEU 27 5.139 15.230 29.743 206 HG LEU 27 HG LEU 27 3.525 13.491 31.515 207 HD11 LEU 27 HD11 LEU 27 5.175 12.479 29.283 208 HD12 LEU 27 HD12 LEU 27 3.815 11.734 30.121 209 HD13 LEU 27 HD13 LEU 27 5.417 11.722 30.858 210 HD21 LEU 27 HD21 LEU 27 5.349 13.603 32.861 211 HD22 LEU 27 HD22 LEU 27 5.624 15.078 31.935 212 HD23 LEU 27 HD23 LEU 27 6.485 13.597 31.512 213 H LEU 28 H LEU 28 4.399 17.659 29.124 214 HA LEU 28 HA LEU 28 5.810 18.709 31.322 215 HB2 LEU 28 HB2 LEU 28 5.425 19.349 28.520 216 HB3 LEU 28 HB3 LEU 28 5.542 20.798 29.517 217 HG LEU 28 HG LEU 28 7.704 20.135 28.556 218 HD11 LEU 28 HD11 LEU 28 8.949 20.009 30.770 219 HD12 LEU 28 HD12 LEU 28 7.362 20.026 31.537 220 HD13 LEU 28 HD13 LEU 28 7.870 21.385 30.535 221 HD21 LEU 28 HD21 LEU 28 7.205 17.678 28.579 222 HD22 LEU 28 HD22 LEU 28 7.526 17.695 30.314 223 HD23 LEU 28 HD23 LEU 28 8.806 18.117 29.175 224 H LEU 29 H LEU 29 2.763 19.666 29.795 225 HA LEU 29 HA LEU 29 2.325 21.984 31.336 226 HB2 LEU 29 HB2 LEU 29 1.128 21.562 29.271 227 HB3 LEU 29 HB3 LEU 29 0.361 20.141 29.980 228 HG LEU 29 HG LEU 29 -0.580 21.889 31.697 229 HD11 LEU 29 HD11 LEU 29 -1.083 23.937 29.991 230 HD12 LEU 29 HD12 LEU 29 0.587 23.548 29.579 231 HD13 LEU 29 HD13 LEU 29 0.161 23.955 31.241 232 HD21 LEU 29 HD21 LEU 29 -2.559 21.662 30.625 233 HD22 LEU 29 HD22 LEU 29 -1.637 20.505 29.663 234 HD23 LEU 29 HD23 LEU 29 -1.897 22.144 29.063 235 H VAL 30 H VAL 30 1.288 18.622 31.775 236 HA VAL 30 HA VAL 30 -0.289 19.030 34.064 237 HB VAL 30 HB VAL 30 1.254 16.563 33.250 238 HG11 VAL 30 HG11 VAL 30 0.670 15.787 35.258 239 HG12 VAL 30 HG12 VAL 30 -0.394 17.159 35.568 240 HG13 VAL 30 HG13 VAL 30 -0.986 15.772 34.654 241 HG21 VAL 30 HG21 VAL 30 -1.616 16.501 32.891 242 HG22 VAL 30 HG22 VAL 30 -0.875 17.814 31.976 243 HG23 VAL 30 HG23 VAL 30 -0.329 16.155 31.736 244 H TYR 31 H TYR 31 3.138 18.180 33.712 245 HA TYR 31 HA TYR 31 3.668 17.940 36.479 246 HB2 TYR 31 HB2 TYR 31 5.253 18.059 33.991 247 HB3 TYR 31 HB3 TYR 31 6.091 18.602 35.440 248 HD1 TYR 31 HD1 TYR 31 7.596 16.903 35.954 249 HD2 TYR 31 HD2 TYR 31 3.569 15.889 35.026 250 HE1 TYR 31 HE1 TYR 31 8.048 14.565 36.571 251 HE2 TYR 31 HE2 TYR 31 4.010 13.549 35.642 252 HH TYR 31 HH TYR 31 5.711 12.030 36.003 253 H ARG 32 H ARG 32 3.953 20.631 34.201 254 HA ARG 32 HA ARG 32 5.228 22.461 35.884 255 HB2 ARG 32 HB2 ARG 32 4.639 22.587 33.343 256 HB3 ARG 32 HB3 ARG 32 3.154 23.340 33.907 257 HG2 ARG 32 HG2 ARG 32 4.528 25.148 33.474 258 HG3 ARG 32 HG3 ARG 32 4.713 24.921 35.215 259 HD2 ARG 32 HD2 ARG 32 6.911 25.006 34.738 260 HD3 ARG 32 HD3 ARG 32 6.680 23.315 34.296 261 HE ARG 32 HE ARG 32 6.205 25.137 32.129 262 HH11 ARG 32 HH11 ARG 32 8.628 23.343 33.872 263 HH12 ARG 32 HH12 ARG 32 9.739 23.301 32.543 264 HH21 ARG 32 HH21 ARG 32 7.659 25.087 30.373 265 HH22 ARG 32 HH22 ARG 32 9.187 24.294 30.553 266 H MET 33 H MET 33 1.803 21.700 35.474 267 HA MET 33 HA MET 33 0.787 23.771 37.094 268 HB2 MET 33 HB2 MET 33 -0.277 21.694 35.565 269 HB3 MET 33 HB3 MET 33 -0.808 21.349 37.206 270 HG2 MET 33 HG2 MET 33 -1.645 23.707 37.329 271 HG3 MET 33 HG3 MET 33 -1.297 23.844 35.607 272 HE1 MET 33 HE1 MET 33 -4.519 23.614 34.464 273 HE2 MET 33 HE2 MET 33 -4.817 24.137 36.121 274 HE3 MET 33 HE3 MET 33 -3.368 24.678 35.273 275 H ARG 34 H ARG 34 2.342 20.793 37.848 276 HA ARG 34 HA ARG 34 1.291 20.472 40.480 277 HB2 ARG 34 HB2 ARG 34 2.871 18.958 38.757 278 HB3 ARG 34 HB3 ARG 34 3.942 19.346 40.097 279 HG2 ARG 34 HG2 ARG 34 2.631 18.220 41.642 280 HG3 ARG 34 HG3 ARG 34 1.201 18.271 40.610 281 HD2 ARG 34 HD2 ARG 34 2.899 16.868 39.042 282 HD3 ARG 34 HD3 ARG 34 3.455 16.376 40.642 283 HE ARG 34 HE ARG 34 0.688 16.157 40.635 284 HH11 ARG 34 HH11 ARG 34 3.406 14.738 38.987 285 HH12 ARG 34 HH12 ARG 34 2.620 13.215 38.728 286 HH21 ARG 34 HH21 ARG 34 -0.358 14.158 40.299 287 HH22 ARG 34 HH22 ARG 34 0.479 12.887 39.473 288 H LYS 35 H LYS 35 3.993 22.199 39.088 289 HA LYS 35 HA LYS 35 5.567 22.660 41.315 290 HB2 LYS 35 HB2 LYS 35 5.970 23.349 38.883 291 HB3 LYS 35 HB3 LYS 35 5.007 24.776 39.244 292 HG2 LYS 35 HG2 LYS 35 6.836 25.767 39.990 293 HG3 LYS 35 HG3 LYS 35 6.911 24.582 41.296 294 HD2 LYS 35 HD2 LYS 35 7.943 23.718 38.661 295 HD3 LYS 35 HD3 LYS 35 8.888 24.939 39.518 296 HE2 LYS 35 HE2 LYS 35 7.950 22.513 40.982 297 HE3 LYS 35 HE3 LYS 35 9.338 22.387 39.903 298 HZ1 LYS 35 HZ1 LYS 35 10.106 24.485 41.229 299 HZ2 LYS 35 HZ2 LYS 35 10.357 22.933 41.853 300 HZ3 LYS 35 HZ3 LYS 35 9.067 23.872 42.415 Start of MODEL 12 1 H1 MET 1 H MET 1 -3.153 -0.960 0.026 2 HA MET 1 HA MET 1 -1.432 -0.401 -1.400 3 HB2 MET 1 HB2 MET 1 -2.804 1.658 -1.120 4 HB3 MET 1 HB3 MET 1 -1.700 2.184 0.144 5 HG2 MET 1 HG2 MET 1 -0.152 2.867 -1.317 6 HG3 MET 1 HG3 MET 1 -0.395 1.479 -2.376 7 HE1 MET 1 HE1 MET 1 -1.962 1.144 -3.965 8 HE2 MET 1 HE2 MET 1 -3.071 2.292 -4.716 9 HE3 MET 1 HE3 MET 1 -1.349 2.348 -5.099 10 H GLU 2 H GLU 2 0.564 -1.180 -1.301 11 HA GLU 2 HA GLU 2 2.300 -0.314 0.917 12 HB2 GLU 2 HB2 GLU 2 1.576 -2.855 0.450 13 HB3 GLU 2 HB3 GLU 2 2.973 -2.767 -0.614 14 HG2 GLU 2 HG2 GLU 2 3.968 -3.492 1.298 15 HG3 GLU 2 HG3 GLU 2 4.128 -1.749 1.509 16 H GLN 3 H GLN 3 1.959 1.176 -1.487 17 HA GLN 3 HA GLN 3 4.546 0.762 -2.827 18 HB2 GLN 3 HB2 GLN 3 1.903 1.431 -3.808 19 HB3 GLN 3 HB3 GLN 3 3.088 2.630 -4.306 20 HG2 GLN 3 HG2 GLN 3 4.480 0.498 -4.959 21 HG3 GLN 3 HG3 GLN 3 2.882 -0.246 -5.015 22 HE21 GLN 3 HE21 GLN 3 4.804 2.430 -6.262 23 HE22 GLN 3 HE22 GLN 3 3.955 2.581 -7.758 24 H SER 4 H SER 4 5.276 3.021 -3.830 25 HA SER 4 HA SER 4 6.358 4.964 -3.331 26 HB2 SER 4 HB2 SER 4 3.993 5.756 -1.654 27 HB3 SER 4 HB3 SER 4 4.982 6.755 -2.720 28 HG SER 4 HG SER 4 2.782 6.043 -3.454 29 H THR 5 H THR 5 7.770 3.545 -1.972 30 HA THR 5 HA THR 5 7.563 3.197 0.755 31 HB THR 5 HB THR 5 10.294 3.816 0.157 32 HG1 THR 5 HG1 THR 5 10.357 2.130 -1.605 33 HG21 THR 5 HG21 THR 5 9.398 2.111 1.747 34 HG22 THR 5 HG22 THR 5 10.636 1.490 0.655 35 HG23 THR 5 HG23 THR 5 8.936 1.129 0.357 36 H GLU 6 H GLU 6 8.817 5.995 -1.015 37 HA GLU 6 HA GLU 6 9.790 7.454 1.159 38 HB2 GLU 6 HB2 GLU 6 9.923 7.886 -1.424 39 HB3 GLU 6 HB3 GLU 6 8.469 8.835 -1.147 40 HG2 GLU 6 HG2 GLU 6 9.571 10.398 0.142 41 HG3 GLU 6 HG3 GLU 6 10.888 9.295 0.538 42 H VAL 7 H VAL 7 6.567 7.466 -0.333 43 HA VAL 7 HA VAL 7 5.430 9.444 1.301 44 HB VAL 7 HB VAL 7 4.042 7.107 -0.018 45 HG11 VAL 7 HG11 VAL 7 2.091 8.731 0.010 46 HG12 VAL 7 HG12 VAL 7 2.541 8.013 1.558 47 HG13 VAL 7 HG13 VAL 7 3.020 9.668 1.179 48 HG21 VAL 7 HG21 VAL 7 4.351 9.915 -1.060 49 HG22 VAL 7 HG22 VAL 7 5.412 8.584 -1.522 50 HG23 VAL 7 HG23 VAL 7 3.692 8.515 -1.906 51 H LEU 8 H LEU 8 5.529 5.915 1.645 52 HA LEU 8 HA LEU 8 3.941 5.736 3.952 53 HB2 LEU 8 HB2 LEU 8 5.350 3.981 2.304 54 HB3 LEU 8 HB3 LEU 8 6.050 3.763 3.907 55 HG LEU 8 HG LEU 8 3.204 3.755 4.136 56 HD11 LEU 8 HD11 LEU 8 3.023 3.121 1.848 57 HD12 LEU 8 HD12 LEU 8 2.793 1.669 2.821 58 HD13 LEU 8 HD13 LEU 8 4.332 1.950 2.007 59 HD21 LEU 8 HD21 LEU 8 5.100 1.432 4.382 60 HD22 LEU 8 HD22 LEU 8 3.580 1.696 5.237 61 HD23 LEU 8 HD23 LEU 8 4.981 2.706 5.595 62 H ALA 9 H ALA 9 7.449 6.072 3.557 63 HA ALA 9 HA ALA 9 8.131 5.907 6.278 64 HB1 ALA 9 HB1 ALA 9 9.783 5.682 4.507 65 HB2 ALA 9 HB2 ALA 9 9.548 7.370 4.053 66 HB3 ALA 9 HB3 ALA 9 10.241 6.969 5.624 67 H ALA 10 H ALA 10 7.207 8.646 4.248 68 HA ALA 10 HA ALA 10 7.754 10.669 6.147 69 HB1 ALA 10 HB1 ALA 10 7.501 11.702 4.169 70 HB2 ALA 10 HB2 ALA 10 6.383 10.483 3.558 71 HB3 ALA 10 HB3 ALA 10 5.797 11.763 4.620 72 H VAL 11 H VAL 11 4.874 8.751 5.440 73 HA VAL 11 HA VAL 11 3.106 10.159 7.138 74 HB VAL 11 HB VAL 11 2.975 7.273 6.253 75 HG11 VAL 11 HG11 VAL 11 1.211 8.959 7.887 76 HG12 VAL 11 HG12 VAL 11 0.407 8.086 6.581 77 HG13 VAL 11 HG13 VAL 11 1.338 7.203 7.792 78 HG21 VAL 11 HG21 VAL 11 2.780 9.635 4.747 79 HG22 VAL 11 HG22 VAL 11 2.373 7.996 4.239 80 HG23 VAL 11 HG23 VAL 11 1.132 9.035 4.939 81 H ILE 12 H ILE 12 4.978 7.173 7.623 82 HA ILE 12 HA ILE 12 4.137 6.718 10.275 83 HB ILE 12 HB ILE 12 5.161 4.941 8.985 84 HG12 ILE 12 HG12 ILE 12 7.094 5.548 11.213 85 HG13 ILE 12 HG13 ILE 12 5.417 5.127 11.543 86 HG21 ILE 12 HG21 ILE 12 6.734 6.438 7.746 87 HG22 ILE 12 HG22 ILE 12 7.766 6.439 9.175 88 HG23 ILE 12 HG23 ILE 12 7.451 4.932 8.316 89 HD11 ILE 12 HD11 ILE 12 6.991 3.223 11.695 90 HD12 ILE 12 HD12 ILE 12 5.695 2.983 10.523 91 HD13 ILE 12 HD13 ILE 12 7.316 3.405 9.971 92 H ALA 13 H ALA 13 6.957 8.401 8.942 93 HA ALA 13 HA ALA 13 8.236 8.951 11.382 94 HB1 ALA 13 HB1 ALA 13 9.499 10.621 10.160 95 HB2 ALA 13 HB2 ALA 13 9.325 9.159 9.187 96 HB3 ALA 13 HB3 ALA 13 8.329 10.573 8.841 97 H GLY 14 H GLY 14 5.864 10.814 9.510 98 HA2 GLY 14 HA2 GLY 14 5.867 13.098 11.171 99 HA3 GLY 14 HA3 GLY 14 4.580 12.634 10.067 100 H GLY 15 H GLY 15 3.977 10.113 11.266 101 HA2 GLY 15 HA2 GLY 15 2.167 10.988 13.276 102 HA3 GLY 15 HA3 GLY 15 2.468 9.321 12.810 103 H VAL 16 H VAL 16 5.220 9.199 13.395 104 HA VAL 16 HA VAL 16 5.126 8.620 16.162 105 HB VAL 16 HB VAL 16 7.553 8.890 14.381 106 HG11 VAL 16 HG11 VAL 16 8.220 8.966 16.679 107 HG12 VAL 16 HG12 VAL 16 7.175 7.602 17.080 108 HG13 VAL 16 HG13 VAL 16 8.590 7.359 16.055 109 HG21 VAL 16 HG21 VAL 16 6.757 6.198 15.051 110 HG22 VAL 16 HG22 VAL 16 5.456 7.057 14.225 111 HG23 VAL 16 HG23 VAL 16 7.044 6.923 13.469 112 H ILE 17 H ILE 17 6.730 11.209 14.328 113 HA ILE 17 HA ILE 17 7.903 12.481 16.554 114 HB ILE 17 HB ILE 17 7.326 13.288 13.744 115 HG12 ILE 17 HG12 ILE 17 9.822 13.872 13.965 116 HG13 ILE 17 HG13 ILE 17 9.749 13.048 15.518 117 HG21 ILE 17 HG21 ILE 17 7.925 15.179 15.995 118 HG22 ILE 17 HG22 ILE 17 8.384 15.540 14.332 119 HG23 ILE 17 HG23 ILE 17 6.686 15.304 14.747 120 HD11 ILE 17 HD11 ILE 17 9.283 11.886 12.791 121 HD12 ILE 17 HD12 ILE 17 10.553 11.485 13.948 122 HD13 ILE 17 HD13 ILE 17 8.880 11.040 14.284 123 H GLY 18 H GLY 18 4.842 13.051 14.843 124 HA2 GLY 18 HA2 GLY 18 4.043 15.305 16.333 125 HA3 GLY 18 HA3 GLY 18 2.971 14.239 15.437 126 H PHE 19 H PHE 19 3.409 11.850 16.814 127 HA PHE 19 HA PHE 19 1.647 12.160 18.993 128 HB2 PHE 19 HB2 PHE 19 3.139 9.944 17.741 129 HB3 PHE 19 HB3 PHE 19 2.753 9.716 19.443 130 HD1 PHE 19 HD1 PHE 19 0.763 8.702 19.956 131 HD2 PHE 19 HD2 PHE 19 1.100 10.845 16.294 132 HE1 PHE 19 HE1 PHE 19 -1.518 8.010 19.345 133 HE2 PHE 19 HE2 PHE 19 -1.181 10.158 15.678 134 HZ PHE 19 HZ PHE 19 -2.493 8.740 17.205 135 H LEU 20 H LEU 20 5.150 11.689 18.822 136 HA LEU 20 HA LEU 20 5.599 11.468 21.595 137 HB2 LEU 20 HB2 LEU 20 7.222 11.910 19.184 138 HB3 LEU 20 HB3 LEU 20 7.915 12.541 20.677 139 HG LEU 20 HG LEU 20 7.087 9.675 20.217 140 HD11 LEU 20 HD11 LEU 20 9.663 9.428 20.463 141 HD12 LEU 20 HD12 LEU 20 9.690 11.114 19.948 142 HD13 LEU 20 HD13 LEU 20 8.972 9.886 18.906 143 HD21 LEU 20 HD21 LEU 20 8.321 11.127 22.539 144 HD22 LEU 20 HD22 LEU 20 8.508 9.387 22.318 145 HD23 LEU 20 HD23 LEU 20 6.899 10.083 22.518 146 H PHE 21 H PHE 21 5.472 14.241 19.420 147 HA PHE 21 HA PHE 21 6.367 16.159 21.306 148 HB2 PHE 21 HB2 PHE 21 5.987 16.228 18.644 149 HB3 PHE 21 HB3 PHE 21 4.503 17.019 19.164 150 HD1 PHE 21 HD1 PHE 21 4.584 19.302 19.143 151 HD2 PHE 21 HD2 PHE 21 8.116 17.132 20.109 152 HE1 PHE 21 HE1 PHE 21 5.807 21.420 19.411 153 HE2 PHE 21 HE2 PHE 21 9.344 19.247 20.380 154 HZ PHE 21 HZ PHE 21 8.190 21.394 20.032 155 H ALA 22 H ALA 22 3.157 15.048 20.316 156 HA ALA 22 HA ALA 22 1.654 16.888 21.819 157 HB1 ALA 22 HB1 ALA 22 0.239 15.869 20.398 158 HB2 ALA 22 HB2 ALA 22 1.137 14.351 20.424 159 HB3 ALA 22 HB3 ALA 22 0.019 14.737 21.732 160 H ILE 23 H ILE 23 2.832 13.633 22.605 161 HA ILE 23 HA ILE 23 1.634 13.491 25.162 162 HB ILE 23 HB ILE 23 4.044 12.048 24.057 163 HG12 ILE 23 HG12 ILE 23 1.881 11.629 22.907 164 HG13 ILE 23 HG13 ILE 23 2.514 10.197 23.712 165 HG21 ILE 23 HG21 ILE 23 3.089 10.447 26.026 166 HG22 ILE 23 HG22 ILE 23 4.441 11.563 26.214 167 HG23 ILE 23 HG23 ILE 23 2.823 12.044 26.726 168 HD11 ILE 23 HD11 ILE 23 0.783 11.663 25.474 169 HD12 ILE 23 HD12 ILE 23 -0.031 11.289 23.955 170 HD13 ILE 23 HD13 ILE 23 0.674 9.993 24.919 171 H PHE 24 H PHE 24 4.744 14.689 24.029 172 HA PHE 24 HA PHE 24 5.915 15.034 26.585 173 HB2 PHE 24 HB2 PHE 24 6.631 15.536 23.848 174 HB3 PHE 24 HB3 PHE 24 7.005 16.956 24.820 175 HD1 PHE 24 HD1 PHE 24 9.005 17.046 25.960 176 HD2 PHE 24 HD2 PHE 24 7.437 13.257 24.819 177 HE1 PHE 24 HE1 PHE 24 11.062 15.957 26.759 178 HE2 PHE 24 HE2 PHE 24 9.491 12.163 25.617 179 HZ PHE 24 HZ PHE 24 11.306 13.513 26.589 180 H LEU 25 H LEU 25 4.019 17.144 24.485 181 HA LEU 25 HA LEU 25 4.316 19.492 26.039 182 HB2 LEU 25 HB2 LEU 25 2.296 18.618 23.996 183 HB3 LEU 25 HB3 LEU 25 2.188 20.178 24.808 184 HG LEU 25 HG LEU 25 4.728 19.482 23.418 185 HD11 LEU 25 HD11 LEU 25 3.853 19.337 21.389 186 HD12 LEU 25 HD12 LEU 25 3.004 20.866 21.616 187 HD13 LEU 25 HD13 LEU 25 2.238 19.353 22.098 188 HD21 LEU 25 HD21 LEU 25 3.217 22.077 23.463 189 HD22 LEU 25 HD22 LEU 25 4.937 21.805 23.181 190 HD23 LEU 25 HD23 LEU 25 4.262 21.580 24.795 191 H ILE 26 H ILE 26 1.850 16.951 25.963 192 HA ILE 26 HA ILE 26 0.104 18.129 27.839 193 HB ILE 26 HB ILE 26 0.502 15.238 27.074 194 HG12 ILE 26 HG12 ILE 26 -0.321 16.785 25.306 195 HG13 ILE 26 HG13 ILE 26 -1.495 15.546 25.738 196 HG21 ILE 26 HG21 ILE 26 -1.862 15.049 28.084 197 HG22 ILE 26 HG22 ILE 26 -0.477 15.062 29.175 198 HG23 ILE 26 HG23 ILE 26 -1.441 16.522 28.956 199 HD11 ILE 26 HD11 ILE 26 -1.927 18.274 25.598 200 HD12 ILE 26 HD12 ILE 26 -2.998 17.067 26.310 201 HD13 ILE 26 HD13 ILE 26 -1.844 17.930 27.325 202 H LEU 27 H LEU 27 2.722 15.760 28.208 203 HA LEU 27 HA LEU 27 2.404 15.328 30.967 204 HB2 LEU 27 HB2 LEU 27 4.246 14.588 28.908 205 HB3 LEU 27 HB3 LEU 27 5.144 15.094 30.337 206 HG LEU 27 HG LEU 27 3.648 13.446 31.618 207 HD11 LEU 27 HD11 LEU 27 3.303 12.282 28.864 208 HD12 LEU 27 HD12 LEU 27 2.046 13.179 29.716 209 HD13 LEU 27 HD13 LEU 27 2.658 11.667 30.386 210 HD21 LEU 27 HD21 LEU 27 5.489 12.141 29.643 211 HD22 LEU 27 HD22 LEU 27 5.221 11.745 31.341 212 HD23 LEU 27 HD23 LEU 27 6.102 13.210 30.905 213 H LEU 28 H LEU 28 4.336 17.673 29.159 214 HA LEU 28 HA LEU 28 5.696 18.766 31.377 215 HB2 LEU 28 HB2 LEU 28 5.984 19.038 28.751 216 HB3 LEU 28 HB3 LEU 28 5.028 20.488 29.052 217 HG LEU 28 HG LEU 28 7.599 19.890 30.501 218 HD11 LEU 28 HD11 LEU 28 7.940 21.972 28.627 219 HD12 LEU 28 HD12 LEU 28 7.251 20.598 27.764 220 HD13 LEU 28 HD13 LEU 28 8.746 20.405 28.678 221 HD21 LEU 28 HD21 LEU 28 7.516 22.393 30.792 222 HD22 LEU 28 HD22 LEU 28 6.292 21.479 31.674 223 HD23 LEU 28 HD23 LEU 28 5.861 22.326 30.187 224 H LEU 29 H LEU 29 2.643 19.588 29.805 225 HA LEU 29 HA LEU 29 2.134 21.953 31.259 226 HB2 LEU 29 HB2 LEU 29 0.891 20.507 29.228 227 HB3 LEU 29 HB3 LEU 29 -0.271 20.512 30.553 228 HG LEU 29 HG LEU 29 -0.658 22.340 28.964 229 HD11 LEU 29 HD11 LEU 29 -1.179 23.897 30.563 230 HD12 LEU 29 HD12 LEU 29 0.336 23.670 31.437 231 HD13 LEU 29 HD13 LEU 29 -0.945 22.465 31.566 232 HD21 LEU 29 HD21 LEU 29 0.967 23.625 28.155 233 HD22 LEU 29 HD22 LEU 29 2.115 22.547 28.950 234 HD23 LEU 29 HD23 LEU 29 1.560 24.006 29.772 235 H VAL 30 H VAL 30 1.027 18.607 31.748 236 HA VAL 30 HA VAL 30 -0.453 19.129 34.095 237 HB VAL 30 HB VAL 30 -0.772 17.091 32.760 238 HG11 VAL 30 HG11 VAL 30 1.932 16.299 33.838 239 HG12 VAL 30 HG12 VAL 30 0.833 15.236 32.956 240 HG13 VAL 30 HG13 VAL 30 1.534 16.643 32.155 241 HG21 VAL 30 HG21 VAL 30 0.123 16.114 35.432 242 HG22 VAL 30 HG22 VAL 30 -1.164 17.316 35.343 243 HG23 VAL 30 HG23 VAL 30 -1.356 15.758 34.541 244 H TYR 31 H TYR 31 2.923 18.405 33.518 245 HA TYR 31 HA TYR 31 3.627 17.779 36.187 246 HB2 TYR 31 HB2 TYR 31 5.020 18.276 33.660 247 HB3 TYR 31 HB3 TYR 31 5.923 18.819 35.069 248 HD1 TYR 31 HD1 TYR 31 7.650 17.251 35.241 249 HD2 TYR 31 HD2 TYR 31 3.645 15.893 34.779 250 HE1 TYR 31 HE1 TYR 31 8.391 14.943 35.659 251 HE2 TYR 31 HE2 TYR 31 4.374 13.582 35.197 252 HH TYR 31 HH TYR 31 6.284 12.224 35.189 253 H ARG 32 H ARG 32 4.134 20.765 34.299 254 HA ARG 32 HA ARG 32 5.160 22.341 36.334 255 HB2 ARG 32 HB2 ARG 32 3.599 22.972 33.850 256 HB3 ARG 32 HB3 ARG 32 4.035 24.255 34.971 257 HG2 ARG 32 HG2 ARG 32 6.244 22.480 34.207 258 HG3 ARG 32 HG3 ARG 32 5.562 23.443 32.894 259 HD2 ARG 32 HD2 ARG 32 5.738 25.355 34.732 260 HD3 ARG 32 HD3 ARG 32 7.019 24.302 35.333 261 HE ARG 32 HE ARG 32 7.071 25.910 32.955 262 HH11 ARG 32 HH11 ARG 32 8.366 23.084 34.522 263 HH12 ARG 32 HH12 ARG 32 9.834 23.085 33.600 264 HH21 ARG 32 HH21 ARG 32 8.999 25.923 31.735 265 HH22 ARG 32 HH22 ARG 32 10.193 24.701 32.016 266 H MET 33 H MET 33 1.787 21.732 35.458 267 HA MET 33 HA MET 33 0.606 23.572 37.218 268 HB2 MET 33 HB2 MET 33 -0.260 21.398 35.517 269 HB3 MET 33 HB3 MET 33 -1.152 21.400 37.033 270 HG2 MET 33 HG2 MET 33 -1.990 23.559 36.663 271 HG3 MET 33 HG3 MET 33 -0.828 23.877 35.378 272 HE1 MET 33 HE1 MET 33 -4.067 22.123 36.476 273 HE2 MET 33 HE2 MET 33 -4.386 23.704 35.761 274 HE3 MET 33 HE3 MET 33 -4.982 22.243 34.973 275 H ARG 34 H ARG 34 2.103 20.522 37.772 276 HA ARG 34 HA ARG 34 0.801 19.883 40.222 277 HB2 ARG 34 HB2 ARG 34 2.363 18.473 38.554 278 HB3 ARG 34 HB3 ARG 34 3.572 18.932 39.746 279 HG2 ARG 34 HG2 ARG 34 2.042 17.997 41.506 280 HG3 ARG 34 HG3 ARG 34 1.056 17.350 40.192 281 HD2 ARG 34 HD2 ARG 34 3.853 16.720 39.824 282 HD3 ARG 34 HD3 ARG 34 3.267 16.148 41.385 283 HE ARG 34 HE ARG 34 1.420 15.439 39.391 284 HH11 ARG 34 HH11 ARG 34 4.632 14.655 40.480 285 HH12 ARG 34 HH12 ARG 34 4.572 13.024 39.900 286 HH21 ARG 34 HH21 ARG 34 1.328 13.294 38.622 287 HH22 ARG 34 HH22 ARG 34 2.692 12.251 38.842 288 H LYS 35 H LYS 35 3.587 21.805 39.346 289 HA LYS 35 HA LYS 35 4.845 22.016 41.826 290 HB2 LYS 35 HB2 LYS 35 4.632 24.022 39.576 291 HB3 LYS 35 HB3 LYS 35 5.707 24.206 40.957 292 HG2 LYS 35 HG2 LYS 35 6.518 21.812 40.197 293 HG3 LYS 35 HG3 LYS 35 5.883 22.357 38.643 294 HD2 LYS 35 HD2 LYS 35 7.356 24.207 38.584 295 HD3 LYS 35 HD3 LYS 35 7.792 24.007 40.283 296 HE2 LYS 35 HE2 LYS 35 9.552 22.836 39.587 297 HE3 LYS 35 HE3 LYS 35 8.422 21.569 39.112 298 HZ1 LYS 35 HZ1 LYS 35 9.670 23.652 37.439 299 HZ2 LYS 35 HZ2 LYS 35 8.228 22.914 36.954 300 HZ3 LYS 35 HZ3 LYS 35 9.617 21.979 37.191 Start of MODEL 13 1 H1 MET 1 H MET 1 3.652 -6.995 -1.952 2 HA MET 1 HA MET 1 3.089 -5.100 -3.081 3 HB2 MET 1 HB2 MET 1 1.021 -6.376 -3.422 4 HB3 MET 1 HB3 MET 1 0.366 -5.725 -1.926 5 HG2 MET 1 HG2 MET 1 0.728 -3.426 -3.018 6 HG3 MET 1 HG3 MET 1 0.866 -4.332 -4.523 7 HE1 MET 1 HE1 MET 1 -2.899 -4.108 -1.872 8 HE2 MET 1 HE2 MET 1 -1.393 -4.842 -1.322 9 HE3 MET 1 HE3 MET 1 -1.461 -3.111 -1.654 10 H GLU 2 H GLU 2 4.176 -3.450 -2.130 11 HA GLU 2 HA GLU 2 2.698 -1.903 -0.110 12 HB2 GLU 2 HB2 GLU 2 5.361 -3.082 0.090 13 HB3 GLU 2 HB3 GLU 2 5.361 -1.353 0.407 14 HG2 GLU 2 HG2 GLU 2 4.241 -1.569 2.345 15 HG3 GLU 2 HG3 GLU 2 3.242 -2.893 1.746 16 H GLN 3 H GLN 3 5.802 -1.429 -1.776 17 HA GLN 3 HA GLN 3 6.601 0.283 -3.042 18 HB2 GLN 3 HB2 GLN 3 3.740 0.113 -3.923 19 HB3 GLN 3 HB3 GLN 3 4.783 1.380 -4.556 20 HG2 GLN 3 HG2 GLN 3 4.687 -0.546 -6.046 21 HG3 GLN 3 HG3 GLN 3 6.316 -0.277 -5.429 22 HE21 GLN 3 HE21 GLN 3 3.412 -2.220 -5.013 23 HE22 GLN 3 HE22 GLN 3 4.211 -3.606 -4.361 24 H SER 4 H SER 4 6.002 2.731 -3.683 25 HA SER 4 HA SER 4 5.954 4.856 -2.862 26 HB2 SER 4 HB2 SER 4 3.430 3.814 -2.628 27 HB3 SER 4 HB3 SER 4 3.742 4.371 -0.984 28 HG SER 4 HG SER 4 4.147 5.976 -3.285 29 H THR 5 H THR 5 7.718 3.113 -1.527 30 HA THR 5 HA THR 5 7.604 3.026 1.226 31 HB THR 5 HB THR 5 10.127 3.571 -0.344 32 HG1 THR 5 HG1 THR 5 9.835 1.663 -1.190 33 HG21 THR 5 HG21 THR 5 10.093 3.633 2.227 34 HG22 THR 5 HG22 THR 5 11.295 2.609 1.444 35 HG23 THR 5 HG23 THR 5 9.837 1.892 2.129 36 H GLU 6 H GLU 6 8.715 5.675 -0.845 37 HA GLU 6 HA GLU 6 9.697 7.367 1.148 38 HB2 GLU 6 HB2 GLU 6 9.159 7.524 -1.643 39 HB3 GLU 6 HB3 GLU 6 8.455 8.942 -0.880 40 HG2 GLU 6 HG2 GLU 6 10.491 9.820 -1.104 41 HG3 GLU 6 HG3 GLU 6 10.893 8.850 0.312 42 H VAL 7 H VAL 7 6.439 7.143 -0.247 43 HA VAL 7 HA VAL 7 5.278 9.237 1.213 44 HB VAL 7 HB VAL 7 3.955 6.731 0.164 45 HG11 VAL 7 HG11 VAL 7 2.128 8.810 0.113 46 HG12 VAL 7 HG12 VAL 7 2.157 7.467 1.257 47 HG13 VAL 7 HG13 VAL 7 2.941 8.993 1.667 48 HG21 VAL 7 HG21 VAL 7 4.151 9.461 -1.101 49 HG22 VAL 7 HG22 VAL 7 5.167 8.085 -1.533 50 HG23 VAL 7 HG23 VAL 7 3.426 8.013 -1.800 51 H LEU 8 H LEU 8 5.498 5.765 1.914 52 HA LEU 8 HA LEU 8 3.990 5.786 4.282 53 HB2 LEU 8 HB2 LEU 8 5.866 3.964 2.950 54 HB3 LEU 8 HB3 LEU 8 5.780 3.780 4.701 55 HG LEU 8 HG LEU 8 3.193 3.858 3.280 56 HD11 LEU 8 HD11 LEU 8 4.655 1.268 3.209 57 HD12 LEU 8 HD12 LEU 8 4.954 2.447 1.932 58 HD13 LEU 8 HD13 LEU 8 3.321 1.842 2.209 59 HD21 LEU 8 HD21 LEU 8 3.016 3.456 5.558 60 HD22 LEU 8 HD22 LEU 8 4.436 2.410 5.587 61 HD23 LEU 8 HD23 LEU 8 2.931 1.836 4.867 62 H ALA 9 H ALA 9 7.454 6.234 3.711 63 HA ALA 9 HA ALA 9 8.254 6.333 6.406 64 HB1 ALA 9 HB1 ALA 9 10.320 7.147 5.633 65 HB2 ALA 9 HB2 ALA 9 9.720 6.105 4.342 66 HB3 ALA 9 HB3 ALA 9 9.594 7.858 4.191 67 H ALA 10 H ALA 10 7.140 8.846 4.184 68 HA ALA 10 HA ALA 10 7.664 11.055 5.857 69 HB1 ALA 10 HB1 ALA 10 7.293 11.704 3.693 70 HB2 ALA 10 HB2 ALA 10 5.950 10.582 3.469 71 HB3 ALA 10 HB3 ALA 10 5.718 12.058 4.405 72 H VAL 11 H VAL 11 4.675 9.196 5.312 73 HA VAL 11 HA VAL 11 3.121 10.627 7.194 74 HB VAL 11 HB VAL 11 2.048 9.321 5.456 75 HG11 VAL 11 HG11 VAL 11 3.050 6.849 6.860 76 HG12 VAL 11 HG12 VAL 11 2.111 6.928 5.368 77 HG13 VAL 11 HG13 VAL 11 3.773 7.520 5.398 78 HG21 VAL 11 HG21 VAL 11 1.342 7.941 8.023 79 HG22 VAL 11 HG22 VAL 11 1.017 9.659 7.788 80 HG23 VAL 11 HG23 VAL 11 0.280 8.467 6.717 81 H ILE 12 H ILE 12 4.977 7.618 7.405 82 HA ILE 12 HA ILE 12 4.212 6.922 10.024 83 HB ILE 12 HB ILE 12 6.640 6.230 8.384 84 HG12 ILE 12 HG12 ILE 12 4.404 5.289 7.768 85 HG13 ILE 12 HG13 ILE 12 5.595 4.065 8.196 86 HG21 ILE 12 HG21 ILE 12 6.062 5.654 11.244 87 HG22 ILE 12 HG22 ILE 12 6.818 4.396 10.268 88 HG23 ILE 12 HG23 ILE 12 7.601 5.967 10.443 89 HD11 ILE 12 HD11 ILE 12 4.303 3.283 9.811 90 HD12 ILE 12 HD12 ILE 12 4.088 4.891 10.505 91 HD13 ILE 12 HD13 ILE 12 3.027 4.341 9.209 92 H ALA 13 H ALA 13 7.051 8.690 8.812 93 HA ALA 13 HA ALA 13 8.267 9.133 11.302 94 HB1 ALA 13 HB1 ALA 13 9.646 9.508 9.473 95 HB2 ALA 13 HB2 ALA 13 8.447 10.503 8.646 96 HB3 ALA 13 HB3 ALA 13 9.303 11.139 10.051 97 H GLY 14 H GLY 14 5.937 11.080 9.465 98 HA2 GLY 14 HA2 GLY 14 5.910 13.296 11.214 99 HA3 GLY 14 HA3 GLY 14 4.639 12.873 10.076 100 H GLY 15 H GLY 15 4.063 10.289 11.194 101 HA2 GLY 15 HA2 GLY 15 2.209 11.090 13.202 102 HA3 GLY 15 HA3 GLY 15 2.522 9.442 12.678 103 H VAL 16 H VAL 16 5.273 9.321 13.293 104 HA VAL 16 HA VAL 16 5.146 8.631 16.033 105 HB VAL 16 HB VAL 16 7.583 8.977 14.279 106 HG11 VAL 16 HG11 VAL 16 7.188 7.942 17.047 107 HG12 VAL 16 HG12 VAL 16 8.417 7.201 16.019 108 HG13 VAL 16 HG13 VAL 16 8.494 8.925 16.387 109 HG21 VAL 16 HG21 VAL 16 5.496 7.053 14.221 110 HG22 VAL 16 HG22 VAL 16 6.976 7.098 13.262 111 HG23 VAL 16 HG23 VAL 16 6.956 6.260 14.814 112 H ILE 17 H ILE 17 6.817 11.273 14.331 113 HA ILE 17 HA ILE 17 7.897 12.471 16.647 114 HB ILE 17 HB ILE 17 8.176 14.496 15.227 115 HG12 ILE 17 HG12 ILE 17 7.642 13.691 12.675 116 HG13 ILE 17 HG13 ILE 17 6.286 12.981 13.545 117 HG21 ILE 17 HG21 ILE 17 9.083 12.287 13.487 118 HG22 ILE 17 HG22 ILE 17 9.993 13.616 14.205 119 HG23 ILE 17 HG23 ILE 17 9.568 12.209 15.180 120 HD11 ILE 17 HD11 ILE 17 6.664 15.667 12.708 121 HD12 ILE 17 HD12 ILE 17 5.272 14.940 13.511 122 HD13 ILE 17 HD13 ILE 17 6.581 15.630 14.469 123 H GLY 18 H GLY 18 4.889 13.012 14.862 124 HA2 GLY 18 HA2 GLY 18 4.041 15.289 16.299 125 HA3 GLY 18 HA3 GLY 18 2.999 14.205 15.388 126 H PHE 19 H PHE 19 3.396 11.835 16.789 127 HA PHE 19 HA PHE 19 1.597 12.173 18.938 128 HB2 PHE 19 HB2 PHE 19 3.131 9.920 17.766 129 HB3 PHE 19 HB3 PHE 19 2.587 9.718 19.428 130 HD1 PHE 19 HD1 PHE 19 1.085 11.190 16.342 131 HD2 PHE 19 HD2 PHE 19 0.702 8.429 19.559 132 HE1 PHE 19 HE1 PHE 19 -1.149 10.556 15.528 133 HE2 PHE 19 HE2 PHE 19 -1.531 7.790 18.749 134 HZ PHE 19 HZ PHE 19 -2.459 8.853 16.731 135 H LEU 20 H LEU 20 5.095 11.650 18.820 136 HA LEU 20 HA LEU 20 5.496 11.432 21.602 137 HB2 LEU 20 HB2 LEU 20 7.121 11.652 19.215 138 HB3 LEU 20 HB3 LEU 20 7.816 12.553 20.561 139 HG LEU 20 HG LEU 20 7.634 10.426 21.915 140 HD11 LEU 20 HD11 LEU 20 7.658 8.354 20.410 141 HD12 LEU 20 HD12 LEU 20 6.887 9.385 19.205 142 HD13 LEU 20 HD13 LEU 20 6.099 9.104 20.757 143 HD21 LEU 20 HD21 LEU 20 9.518 9.382 20.240 144 HD22 LEU 20 HD22 LEU 20 9.809 10.650 21.432 145 HD23 LEU 20 HD23 LEU 20 9.491 11.076 19.749 146 H PHE 21 H PHE 21 5.416 14.192 19.415 147 HA PHE 21 HA PHE 21 6.329 16.105 21.305 148 HB2 PHE 21 HB2 PHE 21 5.767 16.102 18.584 149 HB3 PHE 21 HB3 PHE 21 4.556 17.185 19.262 150 HD1 PHE 21 HD1 PHE 21 8.180 16.573 18.948 151 HD2 PHE 21 HD2 PHE 21 5.133 19.338 20.037 152 HE1 PHE 21 HE1 PHE 21 9.854 18.373 19.048 153 HE2 PHE 21 HE2 PHE 21 6.802 21.143 20.138 154 HZ PHE 21 HZ PHE 21 9.166 20.662 19.642 155 H ALA 22 H ALA 22 3.121 15.030 20.277 156 HA ALA 22 HA ALA 22 1.621 16.907 21.738 157 HB1 ALA 22 HB1 ALA 22 0.211 15.901 20.304 158 HB2 ALA 22 HB2 ALA 22 1.089 14.371 20.350 159 HB3 ALA 22 HB3 ALA 22 -0.043 14.777 21.640 160 H ILE 23 H ILE 23 2.673 13.612 22.558 161 HA ILE 23 HA ILE 23 1.461 13.558 25.114 162 HB ILE 23 HB ILE 23 2.147 11.511 23.948 163 HG12 ILE 23 HG12 ILE 23 3.206 10.376 25.891 164 HG13 ILE 23 HG13 ILE 23 3.521 11.952 26.608 165 HG21 ILE 23 HG21 ILE 23 4.964 12.408 24.543 166 HG22 ILE 23 HG22 ILE 23 4.495 10.859 23.844 167 HG23 ILE 23 HG23 ILE 23 4.213 12.351 22.948 168 HD11 ILE 23 HD11 ILE 23 0.743 11.666 25.895 169 HD12 ILE 23 HD12 ILE 23 1.276 10.370 26.966 170 HD13 ILE 23 HD13 ILE 23 1.477 12.054 27.451 171 H PHE 24 H PHE 24 4.601 14.626 23.959 172 HA PHE 24 HA PHE 24 5.821 14.898 26.504 173 HB2 PHE 24 HB2 PHE 24 7.088 14.780 24.374 174 HB3 PHE 24 HB3 PHE 24 6.465 16.368 23.938 175 HD1 PHE 24 HD1 PHE 24 7.785 18.193 24.365 176 HD2 PHE 24 HD2 PHE 24 8.266 14.699 26.748 177 HE1 PHE 24 HE1 PHE 24 9.671 19.255 25.535 178 HE2 PHE 24 HE2 PHE 24 10.151 15.756 27.923 179 HZ PHE 24 HZ PHE 24 10.856 18.037 27.318 180 H LEU 25 H LEU 25 3.995 17.103 24.438 181 HA LEU 25 HA LEU 25 4.406 19.421 26.015 182 HB2 LEU 25 HB2 LEU 25 3.180 18.803 23.589 183 HB3 LEU 25 HB3 LEU 25 1.881 19.419 24.610 184 HG LEU 25 HG LEU 25 4.380 21.012 24.497 185 HD11 LEU 25 HD11 LEU 25 4.404 21.279 22.298 186 HD12 LEU 25 HD12 LEU 25 2.763 21.918 22.376 187 HD13 LEU 25 HD13 LEU 25 3.026 20.193 22.119 188 HD21 LEU 25 HD21 LEU 25 3.003 22.750 25.033 189 HD22 LEU 25 HD22 LEU 25 2.072 21.419 25.721 190 HD23 LEU 25 HD23 LEU 25 1.631 22.085 24.148 191 H ILE 26 H ILE 26 1.817 17.004 25.903 192 HA ILE 26 HA ILE 26 0.137 18.238 27.804 193 HB ILE 26 HB ILE 26 0.338 15.520 26.622 194 HG12 ILE 26 HG12 ILE 26 -2.149 16.005 26.330 195 HG13 ILE 26 HG13 ILE 26 -1.811 17.611 26.967 196 HG21 ILE 26 HG21 ILE 26 -1.564 14.816 28.166 197 HG22 ILE 26 HG22 ILE 26 0.065 14.810 28.841 198 HG23 ILE 26 HG23 ILE 26 -1.041 16.131 29.218 199 HD11 ILE 26 HD11 ILE 26 -1.805 17.824 24.632 200 HD12 ILE 26 HD12 ILE 26 -0.107 17.831 25.111 201 HD13 ILE 26 HD13 ILE 26 -0.823 16.374 24.421 202 H LEU 27 H LEU 27 2.632 15.734 28.121 203 HA LEU 27 HA LEU 27 2.293 15.263 30.872 204 HB2 LEU 27 HB2 LEU 27 4.242 14.608 28.806 205 HB3 LEU 27 HB3 LEU 27 4.968 14.808 30.400 206 HG LEU 27 HG LEU 27 2.575 13.094 30.317 207 HD11 LEU 27 HD11 LEU 27 3.212 11.841 28.594 208 HD12 LEU 27 HD12 LEU 27 4.577 11.329 29.586 209 HD13 LEU 27 HD13 LEU 27 4.759 12.677 28.462 210 HD21 LEU 27 HD21 LEU 27 3.637 11.984 32.026 211 HD22 LEU 27 HD22 LEU 27 4.298 13.608 32.217 212 HD23 LEU 27 HD23 LEU 27 5.248 12.357 31.414 213 H LEU 28 H LEU 28 4.370 17.525 29.112 214 HA LEU 28 HA LEU 28 5.780 18.508 31.341 215 HB2 LEU 28 HB2 LEU 28 6.426 18.826 28.964 216 HB3 LEU 28 HB3 LEU 28 5.099 19.974 28.797 217 HG LEU 28 HG LEU 28 7.116 20.503 30.913 218 HD11 LEU 28 HD11 LEU 28 8.022 21.762 28.552 219 HD12 LEU 28 HD12 LEU 28 7.873 20.039 28.209 220 HD13 LEU 28 HD13 LEU 28 8.866 20.587 29.560 221 HD21 LEU 28 HD21 LEU 28 6.721 22.837 29.931 222 HD22 LEU 28 HD22 LEU 28 5.396 22.079 30.814 223 HD23 LEU 28 HD23 LEU 28 5.386 22.095 29.049 224 H LEU 29 H LEU 29 2.791 19.580 29.776 225 HA LEU 29 HA LEU 29 2.409 21.895 31.341 226 HB2 LEU 29 HB2 LEU 29 1.170 20.774 29.184 227 HB3 LEU 29 HB3 LEU 29 -0.021 20.516 30.457 228 HG LEU 29 HG LEU 29 0.231 23.033 30.920 229 HD11 LEU 29 HD11 LEU 29 1.458 22.848 28.175 230 HD12 LEU 29 HD12 LEU 29 2.213 23.472 29.641 231 HD13 LEU 29 HD13 LEU 29 0.862 24.337 28.909 232 HD21 LEU 29 HD21 LEU 29 -1.415 23.570 29.189 233 HD22 LEU 29 HD22 LEU 29 -1.766 22.023 29.960 234 HD23 LEU 29 HD23 LEU 29 -1.031 22.063 28.357 235 H VAL 30 H VAL 30 1.244 18.567 31.705 236 HA VAL 30 HA VAL 30 -0.371 18.996 33.963 237 HB VAL 30 HB VAL 30 1.111 16.488 33.159 238 HG11 VAL 30 HG11 VAL 30 -0.935 17.057 35.256 239 HG12 VAL 30 HG12 VAL 30 -0.919 15.483 34.457 240 HG13 VAL 30 HG13 VAL 30 0.505 16.043 35.337 241 HG21 VAL 30 HG21 VAL 30 -1.764 16.593 32.715 242 HG22 VAL 30 HG22 VAL 30 -0.882 17.810 31.792 243 HG23 VAL 30 HG23 VAL 30 -0.468 16.105 31.623 244 H TYR 31 H TYR 31 3.034 18.038 33.678 245 HA TYR 31 HA TYR 31 3.517 17.696 36.428 246 HB2 TYR 31 HB2 TYR 31 5.043 17.661 33.999 247 HB3 TYR 31 HB3 TYR 31 5.906 18.604 35.208 248 HD1 TYR 31 HD1 TYR 31 7.047 17.547 36.978 249 HD2 TYR 31 HD2 TYR 31 4.353 15.297 34.573 250 HE1 TYR 31 HE1 TYR 31 7.847 15.473 38.031 251 HE2 TYR 31 HE2 TYR 31 5.145 13.218 35.620 252 HH TYR 31 HH TYR 31 6.503 12.903 38.289 253 H ARG 32 H ARG 32 4.010 20.495 34.297 254 HA ARG 32 HA ARG 32 5.098 22.206 36.244 255 HB2 ARG 32 HB2 ARG 32 5.345 22.773 33.934 256 HB3 ARG 32 HB3 ARG 32 3.604 22.770 33.685 257 HG2 ARG 32 HG2 ARG 32 3.367 24.747 35.051 258 HG3 ARG 32 HG3 ARG 32 5.091 24.724 35.427 259 HD2 ARG 32 HD2 ARG 32 5.658 25.636 33.453 260 HD3 ARG 32 HD3 ARG 32 4.466 24.690 32.563 261 HE ARG 32 HE ARG 32 3.135 26.643 34.075 262 HH11 ARG 32 HH11 ARG 32 5.248 26.369 31.322 263 HH12 ARG 32 HH12 ARG 32 4.648 27.801 30.554 264 HH21 ARG 32 HH21 ARG 32 2.336 28.531 33.074 265 HH22 ARG 32 HH22 ARG 32 2.992 29.031 31.552 266 H MET 33 H MET 33 1.765 21.621 35.221 267 HA MET 33 HA MET 33 0.574 23.665 36.757 268 HB2 MET 33 HB2 MET 33 -0.339 21.288 35.272 269 HB3 MET 33 HB3 MET 33 -1.391 21.788 36.590 270 HG2 MET 33 HG2 MET 33 -0.466 23.929 34.791 271 HG3 MET 33 HG3 MET 33 -1.563 22.742 34.091 272 HE1 MET 33 HE1 MET 33 -1.761 26.008 36.795 273 HE2 MET 33 HE2 MET 33 -1.187 25.817 35.138 274 HE3 MET 33 HE3 MET 33 -2.831 26.381 35.443 275 H ARG 34 H ARG 34 1.838 20.572 37.590 276 HA ARG 34 HA ARG 34 0.371 19.863 39.821 277 HB2 ARG 34 HB2 ARG 34 2.459 18.758 38.633 278 HB3 ARG 34 HB3 ARG 34 3.343 19.583 39.910 279 HG2 ARG 34 HG2 ARG 34 2.331 18.332 41.589 280 HG3 ARG 34 HG3 ARG 34 1.000 17.833 40.544 281 HD2 ARG 34 HD2 ARG 34 2.118 15.949 40.159 282 HD3 ARG 34 HD3 ARG 34 3.302 16.910 39.274 283 HE ARG 34 HE ARG 34 4.761 16.680 41.031 284 HH11 ARG 34 HH11 ARG 34 1.577 15.683 42.026 285 HH12 ARG 34 HH12 ARG 34 2.113 15.024 43.536 286 HH21 ARG 34 HH21 ARG 34 5.479 15.815 43.016 287 HH22 ARG 34 HH22 ARG 34 4.332 15.101 44.099 288 H LYS 35 H LYS 35 2.793 22.359 39.461 289 HA LYS 35 HA LYS 35 3.250 22.852 42.208 290 HB2 LYS 35 HB2 LYS 35 4.337 24.859 41.515 291 HB3 LYS 35 HB3 LYS 35 4.689 23.638 40.299 292 HG2 LYS 35 HG2 LYS 35 4.007 25.089 38.772 293 HG3 LYS 35 HG3 LYS 35 2.370 24.882 39.399 294 HD2 LYS 35 HD2 LYS 35 3.376 26.653 41.184 295 HD3 LYS 35 HD3 LYS 35 4.260 27.116 39.729 296 HE2 LYS 35 HE2 LYS 35 1.275 26.751 39.771 297 HE3 LYS 35 HE3 LYS 35 2.048 28.291 40.144 298 HZ1 LYS 35 HZ1 LYS 35 2.090 28.684 37.979 299 HZ2 LYS 35 HZ2 LYS 35 1.523 27.133 37.617 300 HZ3 LYS 35 HZ3 LYS 35 3.184 27.408 37.785 Start of MODEL 14 1 H1 MET 1 H MET 1 8.652 13.418 -7.938 2 HA MET 1 HA MET 1 9.109 11.168 -7.704 3 HB2 MET 1 HB2 MET 1 11.250 12.220 -6.379 4 HB3 MET 1 HB3 MET 1 10.445 11.343 -5.086 5 HG2 MET 1 HG2 MET 1 10.572 9.292 -6.316 6 HG3 MET 1 HG3 MET 1 11.195 10.132 -7.734 7 HE1 MET 1 HE1 MET 1 11.535 8.941 -4.317 8 HE2 MET 1 HE2 MET 1 12.783 7.818 -4.857 9 HE3 MET 1 HE3 MET 1 13.208 9.172 -3.809 10 H GLU 2 H GLU 2 7.569 9.815 -7.040 11 HA GLU 2 HA GLU 2 6.038 10.545 -4.638 12 HB2 GLU 2 HB2 GLU 2 5.323 9.289 -7.236 13 HB3 GLU 2 HB3 GLU 2 4.439 8.753 -5.815 14 HG2 GLU 2 HG2 GLU 2 3.109 10.456 -6.575 15 HG3 GLU 2 HG3 GLU 2 4.106 11.291 -5.386 16 H GLN 3 H GLN 3 6.444 7.466 -6.368 17 HA GLN 3 HA GLN 3 6.912 5.363 -5.638 18 HB2 GLN 3 HB2 GLN 3 8.958 6.977 -4.752 19 HB3 GLN 3 HB3 GLN 3 8.455 6.157 -3.279 20 HG2 GLN 3 HG2 GLN 3 10.055 4.726 -4.070 21 HG3 GLN 3 HG3 GLN 3 8.591 4.016 -4.750 22 HE21 GLN 3 HE21 GLN 3 11.607 4.391 -5.498 23 HE22 GLN 3 HE22 GLN 3 11.524 4.755 -7.184 24 H SER 4 H SER 4 7.070 4.027 -3.399 25 HA SER 4 HA SER 4 4.611 4.736 -1.947 26 HB2 SER 4 HB2 SER 4 5.908 2.068 -2.513 27 HB3 SER 4 HB3 SER 4 4.613 2.263 -1.332 28 HG SER 4 HG SER 4 3.372 2.008 -3.011 29 H THR 5 H THR 5 7.920 3.571 -1.547 30 HA THR 5 HA THR 5 7.872 3.325 1.263 31 HB THR 5 HB THR 5 9.637 2.274 -0.019 32 HG1 THR 5 HG1 THR 5 11.422 3.044 1.246 33 HG21 THR 5 HG21 THR 5 9.769 4.061 -1.770 34 HG22 THR 5 HG22 THR 5 11.335 3.496 -1.189 35 HG23 THR 5 HG23 THR 5 10.688 5.036 -0.625 36 H GLU 6 H GLU 6 8.727 6.012 -0.876 37 HA GLU 6 HA GLU 6 9.719 7.765 1.068 38 HB2 GLU 6 HB2 GLU 6 9.655 7.917 -1.555 39 HB3 GLU 6 HB3 GLU 6 8.159 8.796 -1.268 40 HG2 GLU 6 HG2 GLU 6 9.482 10.293 0.275 41 HG3 GLU 6 HG3 GLU 6 10.930 9.518 -0.367 42 H VAL 7 H VAL 7 6.435 7.497 -0.282 43 HA VAL 7 HA VAL 7 5.288 9.489 1.355 44 HB VAL 7 HB VAL 7 4.147 8.806 -0.649 45 HG11 VAL 7 HG11 VAL 7 4.915 6.466 -0.668 46 HG12 VAL 7 HG12 VAL 7 3.784 6.101 0.637 47 HG13 VAL 7 HG13 VAL 7 3.178 6.605 -0.942 48 HG21 VAL 7 HG21 VAL 7 2.833 9.554 1.371 49 HG22 VAL 7 HG22 VAL 7 1.926 8.643 0.164 50 HG23 VAL 7 HG23 VAL 7 2.454 7.855 1.651 51 H LEU 8 H LEU 8 5.555 5.978 1.712 52 HA LEU 8 HA LEU 8 3.977 5.736 4.029 53 HB2 LEU 8 HB2 LEU 8 5.894 4.080 2.552 54 HB3 LEU 8 HB3 LEU 8 5.801 3.722 4.275 55 HG LEU 8 HG LEU 8 4.348 2.263 2.952 56 HD11 LEU 8 HD11 LEU 8 3.777 3.015 5.290 57 HD12 LEU 8 HD12 LEU 8 2.426 2.434 4.318 58 HD13 LEU 8 HD13 LEU 8 2.660 4.165 4.557 59 HD21 LEU 8 HD21 LEU 8 3.146 4.874 2.077 60 HD22 LEU 8 HD22 LEU 8 2.257 3.353 1.991 61 HD23 LEU 8 HD23 LEU 8 3.755 3.553 1.080 62 H ALA 9 H ALA 9 7.468 6.198 3.602 63 HA ALA 9 HA ALA 9 8.169 6.078 6.323 64 HB1 ALA 9 HB1 ALA 9 10.264 7.042 5.679 65 HB2 ALA 9 HB2 ALA 9 9.758 5.923 4.412 66 HB3 ALA 9 HB3 ALA 9 9.574 7.661 4.179 67 H ALA 10 H ALA 10 7.149 8.762 4.268 68 HA ALA 10 HA ALA 10 7.642 10.816 6.157 69 HB1 ALA 10 HB1 ALA 10 5.522 11.029 4.057 70 HB2 ALA 10 HB2 ALA 10 6.634 12.262 4.654 71 HB3 ALA 10 HB3 ALA 10 7.226 10.973 3.606 72 H VAL 11 H VAL 11 4.800 8.854 5.401 73 HA VAL 11 HA VAL 11 2.996 10.226 7.094 74 HB VAL 11 HB VAL 11 2.916 7.361 6.138 75 HG11 VAL 11 HG11 VAL 11 1.273 7.169 7.649 76 HG12 VAL 11 HG12 VAL 11 1.153 8.914 7.880 77 HG13 VAL 11 HG13 VAL 11 0.329 8.144 6.524 78 HG21 VAL 11 HG21 VAL 11 2.053 8.078 4.195 79 HG22 VAL 11 HG22 VAL 11 1.090 9.334 4.973 80 HG23 VAL 11 HG23 VAL 11 2.793 9.622 4.618 81 H ILE 12 H ILE 12 4.840 7.215 7.561 82 HA ILE 12 HA ILE 12 3.988 6.765 10.211 83 HB ILE 12 HB ILE 12 5.993 5.282 10.381 84 HG12 ILE 12 HG12 ILE 12 6.904 5.017 7.820 85 HG13 ILE 12 HG13 ILE 12 6.672 6.758 7.922 86 HG21 ILE 12 HG21 ILE 12 3.684 5.005 8.826 87 HG22 ILE 12 HG22 ILE 12 4.998 4.343 7.854 88 HG23 ILE 12 HG23 ILE 12 4.700 3.719 9.476 89 HD11 ILE 12 HD11 ILE 12 8.867 5.305 8.791 90 HD12 ILE 12 HD12 ILE 12 8.512 6.999 9.127 91 HD13 ILE 12 HD13 ILE 12 8.009 5.751 10.266 92 H ALA 13 H ALA 13 6.816 8.422 8.874 93 HA ALA 13 HA ALA 13 8.135 8.915 11.307 94 HB1 ALA 13 HB1 ALA 13 9.355 10.655 10.076 95 HB2 ALA 13 HB2 ALA 13 9.258 9.146 9.168 96 HB3 ALA 13 HB3 ALA 13 8.211 10.499 8.742 97 H GLY 14 H GLY 14 5.771 10.843 9.489 98 HA2 GLY 14 HA2 GLY 14 5.824 13.092 11.203 99 HA3 GLY 14 HA3 GLY 14 4.531 12.682 10.085 100 H GLY 15 H GLY 15 3.913 10.126 11.241 101 HA2 GLY 15 HA2 GLY 15 2.095 10.987 13.255 102 HA3 GLY 15 HA3 GLY 15 2.378 9.326 12.757 103 H VAL 16 H VAL 16 5.126 9.160 13.351 104 HA VAL 16 HA VAL 16 5.011 8.536 16.109 105 HB VAL 16 HB VAL 16 7.446 8.785 14.338 106 HG11 VAL 16 HG11 VAL 16 8.279 7.037 16.062 107 HG12 VAL 16 HG12 VAL 16 8.301 8.748 16.492 108 HG13 VAL 16 HG13 VAL 16 7.014 7.703 17.094 109 HG21 VAL 16 HG21 VAL 16 5.313 6.987 14.171 110 HG22 VAL 16 HG22 VAL 16 6.886 6.854 13.385 111 HG23 VAL 16 HG23 VAL 16 6.618 6.097 14.955 112 H ILE 17 H ILE 17 6.693 11.108 14.320 113 HA ILE 17 HA ILE 17 7.865 12.328 16.576 114 HB ILE 17 HB ILE 17 8.687 12.790 14.337 115 HG12 ILE 17 HG12 ILE 17 7.882 15.508 14.768 116 HG13 ILE 17 HG13 ILE 17 8.135 14.733 16.328 117 HG21 ILE 17 HG21 ILE 17 6.307 14.496 13.747 118 HG22 ILE 17 HG22 ILE 17 7.477 13.781 12.639 119 HG23 ILE 17 HG23 ILE 17 6.258 12.766 13.409 120 HD11 ILE 17 HD11 ILE 17 10.367 13.953 15.387 121 HD12 ILE 17 HD12 ILE 17 10.092 15.123 14.096 122 HD13 ILE 17 HD13 ILE 17 10.197 15.666 15.771 123 H GLY 18 H GLY 18 4.828 12.948 14.852 124 HA2 GLY 18 HA2 GLY 18 4.063 15.228 16.326 125 HA3 GLY 18 HA3 GLY 18 2.977 14.178 15.428 126 H PHE 19 H PHE 19 3.355 11.787 16.811 127 HA PHE 19 HA PHE 19 1.595 12.142 18.985 128 HB2 PHE 19 HB2 PHE 19 3.005 9.896 17.711 129 HB3 PHE 19 HB3 PHE 19 2.676 9.668 19.425 130 HD1 PHE 19 HD1 PHE 19 1.473 8.890 16.351 131 HD2 PHE 19 HD2 PHE 19 0.146 10.643 19.996 132 HE1 PHE 19 HE1 PHE 19 -0.840 8.246 15.814 133 HE2 PHE 19 HE2 PHE 19 -2.169 10.001 19.465 134 HZ PHE 19 HZ PHE 19 -2.665 8.801 17.373 135 H LEU 20 H LEU 20 5.086 11.582 18.821 136 HA LEU 20 HA LEU 20 5.523 11.351 21.595 137 HB2 LEU 20 HB2 LEU 20 7.075 11.350 19.231 138 HB3 LEU 20 HB3 LEU 20 7.780 12.543 20.319 139 HG LEU 20 HG LEU 20 7.203 10.052 21.685 140 HD11 LEU 20 HD11 LEU 20 9.185 9.925 19.419 141 HD12 LEU 20 HD12 LEU 20 7.605 9.142 19.418 142 HD13 LEU 20 HD13 LEU 20 8.828 8.658 20.592 143 HD21 LEU 20 HD21 LEU 20 9.834 11.428 21.188 144 HD22 LEU 20 HD22 LEU 20 9.409 10.348 22.516 145 HD23 LEU 20 HD23 LEU 20 8.680 11.951 22.414 146 H PHE 21 H PHE 21 5.469 14.125 19.419 147 HA PHE 21 HA PHE 21 6.409 16.020 21.308 148 HB2 PHE 21 HB2 PHE 21 5.753 16.028 18.587 149 HB3 PHE 21 HB3 PHE 21 4.636 17.170 19.326 150 HD1 PHE 21 HD1 PHE 21 7.431 17.187 17.538 151 HD2 PHE 21 HD2 PHE 21 6.139 18.455 21.390 152 HE1 PHE 21 HE1 PHE 21 9.205 18.892 17.568 153 HE2 PHE 21 HE2 PHE 21 7.911 20.161 21.427 154 HZ PHE 21 HZ PHE 21 9.446 20.382 19.514 155 H ALA 22 H ALA 22 3.175 14.991 20.307 156 HA ALA 22 HA ALA 22 1.714 16.869 21.804 157 HB1 ALA 22 HB1 ALA 22 0.025 14.760 21.712 158 HB2 ALA 22 HB2 ALA 22 0.277 15.886 20.379 159 HB3 ALA 22 HB3 ALA 22 1.137 14.347 20.407 160 H ILE 23 H ILE 23 2.813 13.590 22.596 161 HA ILE 23 HA ILE 23 1.600 13.477 25.148 162 HB ILE 23 HB ILE 23 3.976 11.974 24.050 163 HG12 ILE 23 HG12 ILE 23 1.805 11.607 22.898 164 HG13 ILE 23 HG13 ILE 23 2.401 10.161 23.705 165 HG21 ILE 23 HG21 ILE 23 4.301 11.690 26.304 166 HG22 ILE 23 HG22 ILE 23 2.586 11.842 26.681 167 HG23 ILE 23 HG23 ILE 23 3.202 10.355 25.961 168 HD11 ILE 23 HD11 ILE 23 0.537 9.998 24.879 169 HD12 ILE 23 HD12 ILE 23 0.716 11.646 25.480 170 HD13 ILE 23 HD13 ILE 23 -0.114 11.350 23.953 171 H PHE 24 H PHE 24 4.749 14.586 24.027 172 HA PHE 24 HA PHE 24 5.914 14.908 26.589 173 HB2 PHE 24 HB2 PHE 24 7.305 14.783 24.602 174 HB3 PHE 24 HB3 PHE 24 6.558 16.238 23.950 175 HD1 PHE 24 HD1 PHE 24 8.238 15.186 27.116 176 HD2 PHE 24 HD2 PHE 24 7.819 18.140 24.081 177 HE1 PHE 24 HE1 PHE 24 9.963 16.555 28.215 178 HE2 PHE 24 HE2 PHE 24 9.543 19.513 25.174 179 HZ PHE 24 HZ PHE 24 10.618 18.721 27.243 180 H LEU 25 H LEU 25 4.100 17.069 24.467 181 HA LEU 25 HA LEU 25 4.450 19.408 26.023 182 HB2 LEU 25 HB2 LEU 25 3.009 18.614 23.660 183 HB3 LEU 25 HB3 LEU 25 1.997 19.622 24.691 184 HG LEU 25 HG LEU 25 4.736 20.605 24.142 185 HD11 LEU 25 HD11 LEU 25 4.153 19.800 21.950 186 HD12 LEU 25 HD12 LEU 25 4.012 21.557 21.979 187 HD13 LEU 25 HD13 LEU 25 2.562 20.556 22.055 188 HD21 LEU 25 HD21 LEU 25 2.825 21.700 25.500 189 HD22 LEU 25 HD22 LEU 25 2.157 22.108 23.920 190 HD23 LEU 25 HD23 LEU 25 3.758 22.692 24.379 191 H ILE 26 H ILE 26 1.922 16.932 25.927 192 HA ILE 26 HA ILE 26 0.176 18.162 27.768 193 HB ILE 26 HB ILE 26 0.511 15.226 27.143 194 HG12 ILE 26 HG12 ILE 26 -1.719 16.934 26.119 195 HG13 ILE 26 HG13 ILE 26 -0.148 17.035 25.332 196 HG21 ILE 26 HG21 ILE 26 -0.702 15.171 29.092 197 HG22 ILE 26 HG22 ILE 26 -1.456 16.737 28.795 198 HG23 ILE 26 HG23 ILE 26 -1.993 15.315 27.900 199 HD11 ILE 26 HD11 ILE 26 -0.238 14.568 25.009 200 HD12 ILE 26 HD12 ILE 26 -1.892 14.605 25.622 201 HD13 ILE 26 HD13 ILE 26 -1.480 15.469 24.141 202 H LEU 27 H LEU 27 2.735 15.738 28.196 203 HA LEU 27 HA LEU 27 2.368 15.343 30.955 204 HB2 LEU 27 HB2 LEU 27 4.274 14.591 28.928 205 HB3 LEU 27 HB3 LEU 27 5.093 15.002 30.433 206 HG LEU 27 HG LEU 27 3.110 13.353 31.319 207 HD11 LEU 27 HD11 LEU 27 2.996 11.438 29.869 208 HD12 LEU 27 HD12 LEU 27 4.065 12.211 28.700 209 HD13 LEU 27 HD13 LEU 27 2.452 12.864 28.984 210 HD21 LEU 27 HD21 LEU 27 4.823 11.941 31.909 211 HD22 LEU 27 HD22 LEU 27 5.710 13.434 31.603 212 HD23 LEU 27 HD23 LEU 27 5.678 12.161 30.382 213 H LEU 28 H LEU 28 4.379 17.622 29.150 214 HA LEU 28 HA LEU 28 5.737 18.705 31.375 215 HB2 LEU 28 HB2 LEU 28 6.067 18.943 28.752 216 HB3 LEU 28 HB3 LEU 28 5.137 20.415 29.021 217 HG LEU 28 HG LEU 28 6.860 21.102 30.700 218 HD11 LEU 28 HD11 LEU 28 9.027 19.977 30.645 219 HD12 LEU 28 HD12 LEU 28 8.367 18.750 29.564 220 HD13 LEU 28 HD13 LEU 28 7.755 18.895 31.212 221 HD21 LEU 28 HD21 LEU 28 7.369 22.297 28.880 222 HD22 LEU 28 HD22 LEU 28 7.157 20.918 27.801 223 HD23 LEU 28 HD23 LEU 28 8.683 21.142 28.657 224 H LEU 29 H LEU 29 2.728 19.594 29.748 225 HA LEU 29 HA LEU 29 2.259 21.978 31.184 226 HB2 LEU 29 HB2 LEU 29 1.071 20.699 29.085 227 HB3 LEU 29 HB3 LEU 29 -0.117 20.468 30.367 228 HG LEU 29 HG LEU 29 0.960 23.194 29.726 229 HD11 LEU 29 HD11 LEU 29 -1.009 23.510 28.271 230 HD12 LEU 29 HD12 LEU 29 -1.339 21.782 28.383 231 HD13 LEU 29 HD13 LEU 29 0.147 22.347 27.621 232 HD21 LEU 29 HD21 LEU 29 -1.243 23.864 30.631 233 HD22 LEU 29 HD22 LEU 29 -0.252 22.987 31.798 234 HD23 LEU 29 HD23 LEU 29 -1.583 22.168 30.980 235 H VAL 30 H VAL 30 1.051 18.666 31.663 236 HA VAL 30 HA VAL 30 -0.457 19.236 33.981 237 HB VAL 30 HB VAL 30 -0.796 17.201 32.638 238 HG11 VAL 30 HG11 VAL 30 1.520 16.688 32.114 239 HG12 VAL 30 HG12 VAL 30 1.843 16.328 33.812 240 HG13 VAL 30 HG13 VAL 30 0.745 15.304 32.885 241 HG21 VAL 30 HG21 VAL 30 -1.541 17.329 34.995 242 HG22 VAL 30 HG22 VAL 30 -1.179 15.684 34.475 243 HG23 VAL 30 HG23 VAL 30 -0.031 16.561 35.485 244 H TYR 31 H TYR 31 2.908 18.408 33.469 245 HA TYR 31 HA TYR 31 3.504 17.845 36.199 246 HB2 TYR 31 HB2 TYR 31 4.868 17.037 34.273 247 HB3 TYR 31 HB3 TYR 31 5.404 18.692 34.003 248 HD1 TYR 31 HD1 TYR 31 5.232 16.189 36.777 249 HD2 TYR 31 HD2 TYR 31 7.428 19.320 34.912 250 HE1 TYR 31 HE1 TYR 31 7.067 15.848 38.379 251 HE2 TYR 31 HE2 TYR 31 9.269 18.988 36.509 252 HH TYR 31 HH TYR 31 10.131 17.093 37.956 253 H ARG 32 H ARG 32 4.094 20.670 34.115 254 HA ARG 32 HA ARG 32 5.292 22.292 36.054 255 HB2 ARG 32 HB2 ARG 32 4.866 22.562 33.419 256 HB3 ARG 32 HB3 ARG 32 3.570 23.592 34.014 257 HG2 ARG 32 HG2 ARG 32 5.148 24.964 35.211 258 HG3 ARG 32 HG3 ARG 32 6.470 23.883 34.767 259 HD2 ARG 32 HD2 ARG 32 5.116 24.653 32.391 260 HD3 ARG 32 HD3 ARG 32 5.436 26.108 33.335 261 HE ARG 32 HE ARG 32 7.731 24.432 33.177 262 HH11 ARG 32 HH11 ARG 32 5.850 26.761 31.400 263 HH12 ARG 32 HH12 ARG 32 7.180 27.284 30.421 264 HH21 ARG 32 HH21 ARG 32 9.491 25.112 31.894 265 HH22 ARG 32 HH22 ARG 32 9.251 26.345 30.703 266 H MET 33 H MET 33 1.906 21.752 35.251 267 HA MET 33 HA MET 33 0.818 23.837 36.804 268 HB2 MET 33 HB2 MET 33 -0.212 22.051 35.050 269 HB3 MET 33 HB3 MET 33 -0.757 21.345 36.566 270 HG2 MET 33 HG2 MET 33 -2.169 23.063 37.025 271 HG3 MET 33 HG3 MET 33 -1.177 24.251 36.181 272 HE1 MET 33 HE1 MET 33 -4.261 24.038 36.220 273 HE2 MET 33 HE2 MET 33 -3.681 25.253 35.080 274 HE3 MET 33 HE3 MET 33 -4.861 24.048 34.561 275 H ARG 34 H ARG 34 2.154 20.778 37.650 276 HA ARG 34 HA ARG 34 0.820 20.454 40.149 277 HB2 ARG 34 HB2 ARG 34 2.503 18.904 38.570 278 HB3 ARG 34 HB3 ARG 34 3.458 19.234 40.009 279 HG2 ARG 34 HG2 ARG 34 2.190 17.922 41.311 280 HG3 ARG 34 HG3 ARG 34 0.688 18.420 40.529 281 HD2 ARG 34 HD2 ARG 34 0.696 16.650 39.165 282 HD3 ARG 34 HD3 ARG 34 2.403 16.857 38.776 283 HE ARG 34 HE ARG 34 2.907 15.252 40.321 284 HH11 ARG 34 HH11 ARG 34 -0.328 16.399 40.899 285 HH12 ARG 34 HH12 ARG 34 -0.675 15.207 42.108 286 HH21 ARG 34 HH21 ARG 34 2.462 13.676 41.910 287 HH22 ARG 34 HH22 ARG 34 0.913 13.659 42.682 288 H LYS 35 H LYS 35 3.719 22.098 39.090 289 HA LYS 35 HA LYS 35 5.051 22.454 41.494 290 HB2 LYS 35 HB2 LYS 35 4.805 24.293 39.112 291 HB3 LYS 35 HB3 LYS 35 5.906 24.591 40.451 292 HG2 LYS 35 HG2 LYS 35 6.927 22.347 39.977 293 HG3 LYS 35 HG3 LYS 35 5.954 22.300 38.505 294 HD2 LYS 35 HD2 LYS 35 7.973 23.164 37.755 295 HD3 LYS 35 HD3 LYS 35 7.009 24.617 38.025 296 HE2 LYS 35 HE2 LYS 35 8.100 24.415 40.441 297 HE3 LYS 35 HE3 LYS 35 9.349 23.573 39.525 298 HZ1 LYS 35 HZ1 LYS 35 8.334 26.263 38.800 299 HZ2 LYS 35 HZ2 LYS 35 9.695 25.474 38.179 300 HZ3 LYS 35 HZ3 LYS 35 9.690 26.016 39.781 Start of MODEL 15 1 H1 MET 1 H MET 1 3.124 -2.193 0.337 2 HA MET 1 HA MET 1 2.902 -1.964 -2.401 3 HB2 MET 1 HB2 MET 1 2.609 0.634 -0.962 4 HB3 MET 1 HB3 MET 1 3.534 0.607 -2.457 5 HG2 MET 1 HG2 MET 1 0.864 -0.680 -2.461 6 HG3 MET 1 HG3 MET 1 0.936 1.080 -2.410 7 HE1 MET 1 HE1 MET 1 -0.099 1.666 -4.842 8 HE2 MET 1 HE2 MET 1 0.081 0.489 -6.143 9 HE3 MET 1 HE3 MET 1 -0.610 -0.004 -4.596 10 H GLU 2 H GLU 2 4.932 -0.998 -3.419 11 HA GLU 2 HA GLU 2 7.212 -1.354 -1.586 12 HB2 GLU 2 HB2 GLU 2 6.580 -3.061 -3.601 13 HB3 GLU 2 HB3 GLU 2 7.645 -1.947 -4.445 14 HG2 GLU 2 HG2 GLU 2 9.092 -2.400 -2.218 15 HG3 GLU 2 HG3 GLU 2 8.248 -3.940 -2.372 16 H GLN 3 H GLN 3 5.890 0.346 -4.351 17 HA GLN 3 HA GLN 3 8.228 2.072 -4.536 18 HB2 GLN 3 HB2 GLN 3 6.886 1.157 -6.537 19 HB3 GLN 3 HB3 GLN 3 5.691 2.380 -6.123 20 HG2 GLN 3 HG2 GLN 3 7.813 3.954 -6.193 21 HG3 GLN 3 HG3 GLN 3 8.410 2.686 -7.262 22 HE21 GLN 3 HE21 GLN 3 8.364 4.607 -8.734 23 HE22 GLN 3 HE22 GLN 3 6.910 4.881 -9.627 24 H SER 4 H SER 4 6.012 1.968 -2.341 25 HA SER 4 HA SER 4 5.443 4.860 -2.344 26 HB2 SER 4 HB2 SER 4 3.382 4.485 -1.395 27 HB3 SER 4 HB3 SER 4 3.551 2.988 -2.312 28 HG SER 4 HG SER 4 3.027 3.053 0.146 29 H THR 5 H THR 5 7.858 3.428 -1.385 30 HA THR 5 HA THR 5 7.862 3.308 1.437 31 HB THR 5 HB THR 5 10.461 3.828 0.894 32 HG1 THR 5 HG1 THR 5 10.947 3.102 -1.163 33 HG21 THR 5 HG21 THR 5 10.481 1.756 1.715 34 HG22 THR 5 HG22 THR 5 10.106 1.153 0.100 35 HG23 THR 5 HG23 THR 5 8.803 1.508 1.234 36 H GLU 6 H GLU 6 8.736 5.873 -0.845 37 HA GLU 6 HA GLU 6 9.748 7.713 1.005 38 HB2 GLU 6 HB2 GLU 6 9.595 7.703 -1.657 39 HB3 GLU 6 HB3 GLU 6 8.201 8.724 -1.329 40 HG2 GLU 6 HG2 GLU 6 10.039 9.883 0.267 41 HG3 GLU 6 HG3 GLU 6 11.069 9.281 -1.031 42 H VAL 7 H VAL 7 6.458 7.416 -0.325 43 HA VAL 7 HA VAL 7 5.340 9.501 1.214 44 HB VAL 7 HB VAL 7 3.144 8.436 0.671 45 HG11 VAL 7 HG11 VAL 7 3.177 9.444 -1.330 46 HG12 VAL 7 HG12 VAL 7 4.857 9.822 -0.942 47 HG13 VAL 7 HG13 VAL 7 4.475 8.414 -1.934 48 HG21 VAL 7 HG21 VAL 7 4.934 6.360 -0.577 49 HG22 VAL 7 HG22 VAL 7 3.705 6.119 0.665 50 HG23 VAL 7 HG23 VAL 7 3.227 6.544 -0.978 51 H LEU 8 H LEU 8 5.513 5.999 1.722 52 HA LEU 8 HA LEU 8 3.951 5.899 4.055 53 HB2 LEU 8 HB2 LEU 8 6.004 4.139 2.811 54 HB3 LEU 8 HB3 LEU 8 5.502 3.811 4.468 55 HG LEU 8 HG LEU 8 3.600 3.957 2.134 56 HD11 LEU 8 HD11 LEU 8 3.667 1.627 1.947 57 HD12 LEU 8 HD12 LEU 8 4.550 1.440 3.461 58 HD13 LEU 8 HD13 LEU 8 5.360 2.110 2.045 59 HD21 LEU 8 HD21 LEU 8 3.357 3.351 5.040 60 HD22 LEU 8 HD22 LEU 8 2.308 2.505 3.901 61 HD23 LEU 8 HD23 LEU 8 2.282 4.267 3.984 62 H ALA 9 H ALA 9 7.437 6.313 3.585 63 HA ALA 9 HA ALA 9 8.154 6.280 6.310 64 HB1 ALA 9 HB1 ALA 9 9.681 6.061 4.293 65 HB2 ALA 9 HB2 ALA 9 9.617 7.820 4.184 66 HB3 ALA 9 HB3 ALA 9 10.272 7.049 5.629 67 H ALA 10 H ALA 10 7.163 8.887 4.146 68 HA ALA 10 HA ALA 10 7.730 11.036 5.878 69 HB1 ALA 10 HB1 ALA 10 7.205 11.110 3.385 70 HB2 ALA 10 HB2 ALA 10 5.507 11.046 3.859 71 HB3 ALA 10 HB3 ALA 10 6.521 12.388 4.390 72 H VAL 11 H VAL 11 4.696 9.272 5.267 73 HA VAL 11 HA VAL 11 3.164 10.697 7.170 74 HB VAL 11 HB VAL 11 2.074 9.454 5.398 75 HG11 VAL 11 HG11 VAL 11 3.031 6.939 6.758 76 HG12 VAL 11 HG12 VAL 11 2.068 7.052 5.283 77 HG13 VAL 11 HG13 VAL 11 3.740 7.615 5.292 78 HG21 VAL 11 HG21 VAL 11 1.254 9.564 7.996 79 HG22 VAL 11 HG22 VAL 11 0.259 9.018 6.646 80 HG23 VAL 11 HG23 VAL 11 1.111 7.841 7.646 81 H ILE 12 H ILE 12 4.973 7.660 7.334 82 HA ILE 12 HA ILE 12 4.164 6.906 9.923 83 HB ILE 12 HB ILE 12 6.640 6.244 8.339 84 HG12 ILE 12 HG12 ILE 12 4.417 4.384 9.139 85 HG13 ILE 12 HG13 ILE 12 4.257 5.422 7.727 86 HG21 ILE 12 HG21 ILE 12 5.838 5.396 11.098 87 HG22 ILE 12 HG22 ILE 12 6.831 4.358 10.076 88 HG23 ILE 12 HG23 ILE 12 7.404 5.965 10.522 89 HD11 ILE 12 HD11 ILE 12 5.412 2.905 7.835 90 HD12 ILE 12 HD12 ILE 12 5.488 4.054 6.498 91 HD13 ILE 12 HD13 ILE 12 6.773 4.019 7.705 92 H ALA 13 H ALA 13 7.043 8.670 8.801 93 HA ALA 13 HA ALA 13 8.217 9.044 11.322 94 HB1 ALA 13 HB1 ALA 13 8.490 11.023 9.086 95 HB2 ALA 13 HB2 ALA 13 9.687 10.529 10.283 96 HB3 ALA 13 HB3 ALA 13 9.221 9.421 8.993 97 H GLY 14 H GLY 14 5.916 11.030 9.498 98 HA2 GLY 14 HA2 GLY 14 5.892 13.213 11.302 99 HA3 GLY 14 HA3 GLY 14 4.650 12.845 10.114 100 H GLY 15 H GLY 15 4.074 10.204 11.183 101 HA2 GLY 15 HA2 GLY 15 2.129 10.973 13.123 102 HA3 GLY 15 HA3 GLY 15 2.470 9.334 12.588 103 H VAL 16 H VAL 16 5.151 9.123 13.307 104 HA VAL 16 HA VAL 16 4.921 8.476 16.052 105 HB VAL 16 HB VAL 16 7.391 8.052 15.922 106 HG11 VAL 16 HG11 VAL 16 5.636 6.364 15.363 107 HG12 VAL 16 HG12 VAL 16 5.835 6.800 13.665 108 HG13 VAL 16 HG13 VAL 16 7.183 6.099 14.561 109 HG21 VAL 16 HG21 VAL 16 6.971 9.057 13.114 110 HG22 VAL 16 HG22 VAL 16 8.091 9.675 14.328 111 HG23 VAL 16 HG23 VAL 16 8.363 8.091 13.603 112 H ILE 17 H ILE 17 6.656 11.063 14.346 113 HA ILE 17 HA ILE 17 7.784 12.235 16.658 114 HB ILE 17 HB ILE 17 8.173 14.218 15.252 115 HG12 ILE 17 HG12 ILE 17 7.489 13.574 12.704 116 HG13 ILE 17 HG13 ILE 17 6.132 12.879 13.583 117 HG21 ILE 17 HG21 ILE 17 8.792 11.550 13.998 118 HG22 ILE 17 HG22 ILE 17 9.527 13.071 13.494 119 HG23 ILE 17 HG23 ILE 17 9.790 12.463 15.129 120 HD11 ILE 17 HD11 ILE 17 5.207 14.878 13.705 121 HD12 ILE 17 HD12 ILE 17 6.593 15.467 14.623 122 HD13 ILE 17 HD13 ILE 17 6.589 15.579 12.864 123 H GLY 18 H GLY 18 4.767 12.801 14.907 124 HA2 GLY 18 HA2 GLY 18 3.982 15.121 16.320 125 HA3 GLY 18 HA3 GLY 18 2.912 14.049 15.429 126 H PHE 19 H PHE 19 3.256 11.687 16.844 127 HA PHE 19 HA PHE 19 1.493 12.089 19.011 128 HB2 PHE 19 HB2 PHE 19 3.006 9.767 17.907 129 HB3 PHE 19 HB3 PHE 19 2.321 9.620 19.523 130 HD1 PHE 19 HD1 PHE 19 0.503 8.213 19.355 131 HD2 PHE 19 HD2 PHE 19 1.014 11.297 16.466 132 HE1 PHE 19 HE1 PHE 19 -1.684 7.654 18.377 133 HE2 PHE 19 HE2 PHE 19 -1.173 10.744 15.484 134 HZ PHE 19 HZ PHE 19 -2.525 8.921 16.439 135 H LEU 20 H LEU 20 4.973 11.464 18.854 136 HA LEU 20 HA LEU 20 5.403 11.248 21.631 137 HB2 LEU 20 HB2 LEU 20 6.963 11.226 19.258 138 HB3 LEU 20 HB3 LEU 20 7.694 12.374 20.378 139 HG LEU 20 HG LEU 20 7.666 10.514 22.096 140 HD11 LEU 20 HD11 LEU 20 7.338 8.713 19.715 141 HD12 LEU 20 HD12 LEU 20 5.986 9.161 20.754 142 HD13 LEU 20 HD13 LEU 20 7.360 8.284 21.426 143 HD21 LEU 20 HD21 LEU 20 9.452 9.310 20.274 144 HD22 LEU 20 HD22 LEU 20 9.815 10.475 21.548 145 HD23 LEU 20 HD23 LEU 20 9.437 11.038 19.919 146 H PHE 21 H PHE 21 5.405 14.002 19.429 147 HA PHE 21 HA PHE 21 6.381 15.895 21.302 148 HB2 PHE 21 HB2 PHE 21 5.504 15.891 18.569 149 HB3 PHE 21 HB3 PHE 21 4.739 17.227 19.422 150 HD1 PHE 21 HD1 PHE 21 7.318 16.588 17.366 151 HD2 PHE 21 HD2 PHE 21 6.633 18.270 21.215 152 HE1 PHE 21 HE1 PHE 21 9.390 17.899 17.158 153 HE2 PHE 21 HE2 PHE 21 8.703 19.584 21.013 154 HZ PHE 21 HZ PHE 21 10.084 19.400 18.983 155 H ALA 22 H ALA 22 3.128 14.925 20.305 156 HA ALA 22 HA ALA 22 1.704 16.845 21.783 157 HB1 ALA 22 HB1 ALA 22 -0.027 14.770 21.707 158 HB2 ALA 22 HB2 ALA 22 0.250 15.880 20.364 159 HB3 ALA 22 HB3 ALA 22 1.078 14.323 20.408 160 H ILE 23 H ILE 23 2.725 13.547 22.604 161 HA ILE 23 HA ILE 23 1.510 13.485 25.157 162 HB ILE 23 HB ILE 23 3.853 11.918 24.075 163 HG12 ILE 23 HG12 ILE 23 1.676 11.592 22.921 164 HG13 ILE 23 HG13 ILE 23 2.237 10.139 23.741 165 HG21 ILE 23 HG21 ILE 23 3.200 10.328 25.967 166 HG22 ILE 23 HG22 ILE 23 4.100 11.781 26.398 167 HG23 ILE 23 HG23 ILE 23 2.359 11.710 26.669 168 HD11 ILE 23 HD11 ILE 23 0.130 12.042 24.737 169 HD12 ILE 23 HD12 ILE 23 -0.137 10.435 24.061 170 HD13 ILE 23 HD13 ILE 23 0.711 10.616 25.596 171 H PHE 24 H PHE 24 4.678 14.523 24.027 172 HA PHE 24 HA PHE 24 5.855 14.835 26.585 173 HB2 PHE 24 HB2 PHE 24 6.564 15.400 23.821 174 HB3 PHE 24 HB3 PHE 24 7.118 16.666 24.911 175 HD1 PHE 24 HD1 PHE 24 8.024 13.692 23.404 176 HD2 PHE 24 HD2 PHE 24 8.201 15.676 27.166 177 HE1 PHE 24 HE1 PHE 24 9.940 12.290 24.049 178 HE2 PHE 24 HE2 PHE 24 10.118 14.278 27.816 179 HZ PHE 24 HZ PHE 24 10.991 12.583 26.257 180 H LEU 25 H LEU 25 4.068 17.014 24.460 181 HA LEU 25 HA LEU 25 4.471 19.358 25.996 182 HB2 LEU 25 HB2 LEU 25 3.383 18.790 23.556 183 HB3 LEU 25 HB3 LEU 25 1.954 19.192 24.506 184 HG LEU 25 HG LEU 25 2.718 21.150 23.335 185 HD11 LEU 25 HD11 LEU 25 2.530 22.608 25.072 186 HD12 LEU 25 HD12 LEU 25 3.678 21.731 26.083 187 HD13 LEU 25 HD13 LEU 25 2.032 21.127 25.890 188 HD21 LEU 25 HD21 LEU 25 5.208 20.138 23.527 189 HD22 LEU 25 HD22 LEU 25 5.268 21.362 24.796 190 HD23 LEU 25 HD23 LEU 25 4.860 21.824 23.143 191 H ILE 26 H ILE 26 1.887 16.936 25.927 192 HA ILE 26 HA ILE 26 0.189 18.211 27.784 193 HB ILE 26 HB ILE 26 0.454 15.298 27.044 194 HG12 ILE 26 HG12 ILE 26 -0.288 16.869 25.261 195 HG13 ILE 26 HG13 ILE 26 -1.520 15.689 25.696 196 HG21 ILE 26 HG21 ILE 26 -1.996 15.375 28.031 197 HG22 ILE 26 HG22 ILE 26 -0.597 15.054 29.054 198 HG23 ILE 26 HG23 ILE 26 -1.303 16.669 29.008 199 HD11 ILE 26 HD11 ILE 26 -1.849 18.016 27.308 200 HD12 ILE 26 HD12 ILE 26 -1.745 18.486 25.610 201 HD13 ILE 26 HD13 ILE 26 -2.953 17.310 26.128 202 H LEU 27 H LEU 27 2.695 15.729 28.186 203 HA LEU 27 HA LEU 27 2.341 15.332 30.946 204 HB2 LEU 27 HB2 LEU 27 4.265 14.594 28.906 205 HB3 LEU 27 HB3 LEU 27 5.037 14.905 30.459 206 HG LEU 27 HG LEU 27 4.532 12.534 30.153 207 HD11 LEU 27 HD11 LEU 27 4.261 13.911 32.393 208 HD12 LEU 27 HD12 LEU 27 3.884 12.191 32.309 209 HD13 LEU 27 HD13 LEU 27 2.586 13.383 32.228 210 HD21 LEU 27 HD21 LEU 27 2.470 11.681 29.668 211 HD22 LEU 27 HD22 LEU 27 2.373 13.211 28.796 212 HD23 LEU 27 HD23 LEU 27 1.612 13.048 30.379 213 H LEU 28 H LEU 28 4.417 17.556 29.137 214 HA LEU 28 HA LEU 28 5.809 18.607 31.347 215 HB2 LEU 28 HB2 LEU 28 5.332 19.416 28.539 216 HB3 LEU 28 HB3 LEU 28 5.863 20.675 29.652 217 HG LEU 28 HG LEU 28 7.382 18.102 29.397 218 HD11 LEU 28 HD11 LEU 28 7.294 18.836 27.149 219 HD12 LEU 28 HD12 LEU 28 8.853 19.358 27.786 220 HD13 LEU 28 HD13 LEU 28 7.537 20.519 27.614 221 HD21 LEU 28 HD21 LEU 28 7.744 19.804 31.259 222 HD22 LEU 28 HD22 LEU 28 8.388 20.866 30.007 223 HD23 LEU 28 HD23 LEU 28 9.162 19.314 30.331 224 H LEU 29 H LEU 29 2.824 19.620 29.736 225 HA LEU 29 HA LEU 29 2.421 21.975 31.236 226 HB2 LEU 29 HB2 LEU 29 1.268 21.567 29.143 227 HB3 LEU 29 HB3 LEU 29 0.438 20.180 29.845 228 HG LEU 29 HG LEU 29 -0.032 22.667 31.303 229 HD11 LEU 29 HD11 LEU 29 -0.302 24.000 29.533 230 HD12 LEU 29 HD12 LEU 29 -1.763 23.065 29.218 231 HD13 LEU 29 HD13 LEU 29 -0.259 22.652 28.395 232 HD21 LEU 29 HD21 LEU 29 -2.440 21.764 30.599 233 HD22 LEU 29 HD22 LEU 29 -1.511 21.062 31.924 234 HD23 LEU 29 HD23 LEU 29 -1.509 20.289 30.338 235 H VAL 30 H VAL 30 1.271 18.652 31.683 236 HA VAL 30 HA VAL 30 -0.360 19.132 33.919 237 HB VAL 30 HB VAL 30 1.141 16.612 33.193 238 HG11 VAL 30 HG11 VAL 30 -1.167 15.896 34.517 239 HG12 VAL 30 HG12 VAL 30 0.461 15.896 35.196 240 HG13 VAL 30 HG13 VAL 30 -0.592 17.291 35.429 241 HG21 VAL 30 HG21 VAL 30 -1.703 16.592 32.716 242 HG22 VAL 30 HG22 VAL 30 -0.926 17.910 31.840 243 HG23 VAL 30 HG23 VAL 30 -0.377 16.251 31.605 244 H TYR 31 H TYR 31 3.052 18.186 33.680 245 HA TYR 31 HA TYR 31 3.510 17.939 36.450 246 HB2 TYR 31 HB2 TYR 31 5.220 18.212 34.027 247 HB3 TYR 31 HB3 TYR 31 5.966 18.518 35.591 248 HD1 TYR 31 HD1 TYR 31 7.331 16.691 36.027 249 HD2 TYR 31 HD2 TYR 31 3.381 16.019 34.598 250 HE1 TYR 31 HE1 TYR 31 7.628 14.273 36.361 251 HE2 TYR 31 HE2 TYR 31 3.666 13.599 34.929 252 HH TYR 31 HH TYR 31 5.990 12.014 35.003 253 H ARG 32 H ARG 32 3.974 20.648 34.208 254 HA ARG 32 HA ARG 32 5.126 22.439 36.032 255 HB2 ARG 32 HB2 ARG 32 3.825 22.624 33.387 256 HB3 ARG 32 HB3 ARG 32 3.803 24.100 34.343 257 HG2 ARG 32 HG2 ARG 32 6.361 23.521 34.647 258 HG3 ARG 32 HG3 ARG 32 6.092 22.652 33.135 259 HD2 ARG 32 HD2 ARG 32 4.841 25.075 32.718 260 HD3 ARG 32 HD3 ARG 32 6.277 25.511 33.642 261 HE ARG 32 HE ARG 32 6.183 24.580 30.934 262 HH11 ARG 32 HH11 ARG 32 8.134 24.748 33.812 263 HH12 ARG 32 HH12 ARG 32 9.637 24.623 32.958 264 HH21 ARG 32 HH21 ARG 32 8.154 24.415 29.798 265 HH22 ARG 32 HH22 ARG 32 9.647 24.435 30.675 266 H MET 33 H MET 33 1.754 21.747 35.249 267 HA MET 33 HA MET 33 0.619 23.850 36.756 268 HB2 MET 33 HB2 MET 33 -0.430 21.235 35.712 269 HB3 MET 33 HB3 MET 33 -1.427 22.259 36.738 270 HG2 MET 33 HG2 MET 33 -0.160 23.652 34.497 271 HG3 MET 33 HG3 MET 33 -1.309 22.400 34.032 272 HE1 MET 33 HE1 MET 33 -0.632 25.662 35.864 273 HE2 MET 33 HE2 MET 33 -1.219 26.063 34.250 274 HE3 MET 33 HE3 MET 33 -2.163 26.515 35.670 275 H ARG 34 H ARG 34 1.981 20.814 37.642 276 HA ARG 34 HA ARG 34 0.619 20.469 40.116 277 HB2 ARG 34 HB2 ARG 34 2.269 18.907 38.604 278 HB3 ARG 34 HB3 ARG 34 3.345 19.376 39.913 279 HG2 ARG 34 HG2 ARG 34 1.770 18.504 41.546 280 HG3 ARG 34 HG3 ARG 34 0.652 18.072 40.251 281 HD2 ARG 34 HD2 ARG 34 1.837 16.244 39.663 282 HD3 ARG 34 HD3 ARG 34 3.388 17.026 39.964 283 HE ARG 34 HE ARG 34 1.937 15.355 41.760 284 HH11 ARG 34 HH11 ARG 34 4.099 18.079 41.599 285 HH12 ARG 34 HH12 ARG 34 4.756 17.817 43.181 286 HH21 ARG 34 HH21 ARG 34 2.796 14.999 43.843 287 HH22 ARG 34 HH22 ARG 34 4.015 16.064 44.455 288 H LYS 35 H LYS 35 3.481 22.212 39.116 289 HA LYS 35 HA LYS 35 4.652 22.642 41.626 290 HB2 LYS 35 HB2 LYS 35 4.875 23.787 38.935 291 HB3 LYS 35 HB3 LYS 35 5.243 24.929 40.221 292 HG2 LYS 35 HG2 LYS 35 6.604 22.644 40.966 293 HG3 LYS 35 HG3 LYS 35 6.795 22.702 39.212 294 HD2 LYS 35 HD2 LYS 35 8.614 23.909 40.184 295 HD3 LYS 35 HD3 LYS 35 7.519 25.085 39.453 296 HE2 LYS 35 HE2 LYS 35 6.500 25.422 41.706 297 HE3 LYS 35 HE3 LYS 35 7.753 24.379 42.375 298 HZ1 LYS 35 HZ1 LYS 35 9.040 26.157 42.521 299 HZ2 LYS 35 HZ2 LYS 35 7.891 27.126 41.746 300 HZ3 LYS 35 HZ3 LYS 35 9.043 26.287 40.834
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