NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613899 | 5iew | 30027 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H1 GLY 1 26.486 4.148 -6.008 2 H2 GLY 1 H2 GLY 1 27.548 3.484 -4.873 3 H3 GLY 1 H3 GLY 1 26.109 4.212 -4.362 4 HA2 GLY 1 HA2 GLY 1 26.340 1.729 -5.965 5 HA3 GLY 1 HA3 GLY 1 25.895 1.824 -4.266 6 H SER 2 H SER 2 23.848 1.000 -4.418 7 HA SER 2 HA SER 2 21.937 2.608 -5.984 8 HB2 SER 2 HB3 SER 2 21.715 -0.359 -5.418 9 HB3 SER 2 HB2 SER 2 20.645 0.607 -6.433 10 HG SER 2 HG SER 2 22.141 0.690 -7.983 11 H MET 3 H MET 3 22.813 2.903 -3.216 12 HA MET 3 HA MET 3 20.999 1.719 -1.411 13 HB2 MET 3 HB3 MET 3 23.247 2.905 -0.942 14 HB3 MET 3 HB2 MET 3 22.305 4.389 -0.949 15 HG2 MET 3 HG3 MET 3 22.542 3.682 1.305 16 HG3 MET 3 HG2 MET 3 20.867 3.406 0.825 17 HE1 MET 3 HE1 MET 3 20.538 1.832 2.935 18 HE2 MET 3 HE2 MET 3 22.217 2.083 3.411 19 HE3 MET 3 HE3 MET 3 21.567 0.447 3.297 20 H LYS 4 H LYS 4 21.042 4.902 -2.985 21 HA LYS 4 HA LYS 4 18.636 5.821 -1.829 22 HB2 LYS 4 HB3 LYS 4 20.269 6.680 -4.180 23 HB3 LYS 4 HB2 LYS 4 18.667 7.357 -3.948 24 HG2 LYS 4 HG3 LYS 4 20.328 8.824 -3.006 25 HG3 LYS 4 HG2 LYS 4 19.331 8.145 -1.722 26 HD2 LYS 4 HD3 LYS 4 21.089 6.515 -1.224 27 HD3 LYS 4 HD2 LYS 4 22.084 7.195 -2.513 28 HE2 LYS 4 HE3 LYS 4 22.140 9.337 -1.352 29 HE3 LYS 4 HE2 LYS 4 21.116 8.684 -0.075 30 HZ1 LYS 4 HZ1 LYS 4 23.832 7.710 -0.770 31 HZ2 LYS 4 HZ2 LYS 4 22.854 7.109 0.472 32 HZ3 LYS 4 HZ3 LYS 4 23.447 8.688 0.554 33 H GLN 5 H GLN 5 19.244 3.671 -4.471 34 HA GLN 5 HA GLN 5 16.820 3.933 -5.862 35 HB2 GLN 5 HB3 GLN 5 18.647 2.689 -6.831 36 HB3 GLN 5 HB2 GLN 5 18.641 1.549 -5.496 37 HG2 GLN 5 HG3 GLN 5 17.641 0.573 -7.468 38 HG3 GLN 5 HG2 GLN 5 16.448 0.740 -6.183 39 HE21 GLN 5 HE21 GLN 5 17.572 3.384 -8.197 40 HE22 GLN 5 HE22 GLN 5 16.073 3.635 -9.018 41 H LEU 6 H LEU 6 17.747 1.823 -3.147 42 HA LEU 6 HA LEU 6 15.101 0.771 -2.882 43 HB2 LEU 6 HB3 LEU 6 17.453 0.664 -1.006 44 HB3 LEU 6 HB2 LEU 6 15.904 -0.065 -0.670 45 HG LEU 6 HG LEU 6 16.166 -1.469 -2.718 46 HD11 LEU 6 HD11 LEU 6 17.767 -0.113 -3.933 47 HD12 LEU 6 HD12 LEU 6 18.405 -1.734 -3.659 48 HD13 LEU 6 HD13 LEU 6 18.974 -0.383 -2.677 49 HD21 LEU 6 HD21 LEU 6 18.279 -1.730 -0.591 50 HD22 LEU 6 HD22 LEU 6 17.766 -3.009 -1.693 51 HD23 LEU 6 HD23 LEU 6 16.630 -2.353 -0.513 52 H GLU 7 H GLU 7 16.846 3.491 -1.539 53 HA GLU 7 HA GLU 7 15.115 4.222 0.516 54 HB2 GLU 7 HB3 GLU 7 16.754 5.907 -1.370 55 HB3 GLU 7 HB2 GLU 7 15.809 6.608 -0.068 56 HG2 GLU 7 HG3 GLU 7 17.963 4.543 0.335 57 HG3 GLU 7 HG2 GLU 7 18.217 6.299 0.453 58 H ASP 8 H ASP 8 15.052 5.342 -2.878 59 HA ASP 8 HA ASP 8 12.634 6.756 -2.687 60 HB2 ASP 8 HB3 ASP 8 13.953 5.457 -5.077 61 HB3 ASP 8 HB2 ASP 8 12.525 6.478 -5.195 62 H LYS 9 H LYS 9 13.310 3.399 -3.420 63 HA LYS 9 HA LYS 9 10.807 2.485 -4.211 64 HB2 LYS 9 HB3 LYS 9 13.196 1.338 -2.936 65 HB3 LYS 9 HB2 LYS 9 11.709 0.444 -2.706 66 HG2 LYS 9 HG3 LYS 9 12.877 1.225 -5.370 67 HG3 LYS 9 HG2 LYS 9 13.035 -0.351 -4.603 68 HD2 LYS 9 HD3 LYS 9 10.542 -0.526 -4.607 69 HD3 LYS 9 HD2 LYS 9 10.497 0.960 -5.558 70 HE2 LYS 9 HE3 LYS 9 10.322 -0.932 -7.037 71 HE3 LYS 9 HE2 LYS 9 11.881 -0.147 -7.282 72 HZ1 LYS 9 HZ1 LYS 9 11.374 -2.630 -5.736 73 HZ2 LYS 9 HZ2 LYS 9 12.872 -1.853 -5.825 74 HZ3 LYS 9 HZ3 LYS 9 12.180 -2.510 -7.218 75 H VAL 10 H VAL 10 12.185 2.484 -0.956 76 HA VAL 10 HA VAL 10 10.017 1.356 0.412 77 HB VAL 10 HB VAL 10 12.118 3.285 1.432 78 HG11 VAL 10 HG11 VAL 10 10.272 1.465 2.975 79 HG12 VAL 10 HG12 VAL 10 10.184 3.226 2.919 80 HG13 VAL 10 HG13 VAL 10 11.575 2.436 3.660 81 HG21 VAL 10 HG21 VAL 10 13.106 1.273 0.536 82 HG22 VAL 10 HG22 VAL 10 11.986 0.275 1.463 83 HG23 VAL 10 HG23 VAL 10 13.202 1.242 2.297 84 H GLU 11 H GLU 11 10.832 4.526 -0.603 85 HA GLU 11 HA GLU 11 8.818 5.874 0.957 86 HB2 GLU 11 HB3 GLU 11 10.578 6.852 -1.286 87 HB3 GLU 11 HB2 GLU 11 9.479 7.881 -0.375 88 HG2 GLU 11 HG3 GLU 11 10.691 7.196 1.699 89 HG3 GLU 11 HG2 GLU 11 11.864 6.382 0.667 90 H GLU 12 H GLU 12 9.117 5.076 -2.540 91 HA GLU 12 HA GLU 12 6.701 6.304 -3.308 92 HB2 GLU 12 HB3 GLU 12 8.183 3.958 -4.495 93 HB3 GLU 12 HB2 GLU 12 6.778 4.696 -5.251 94 HG2 GLU 12 HG3 GLU 12 9.382 6.075 -4.639 95 HG3 GLU 12 HG2 GLU 12 8.847 5.518 -6.224 96 H LEU 13 H LEU 13 7.326 2.879 -2.654 97 HA LEU 13 HA LEU 13 4.739 1.931 -2.838 98 HB2 LEU 13 HB3 LEU 13 6.968 0.965 -1.052 99 HB3 LEU 13 HB2 LEU 13 5.504 0.064 -1.396 100 HG LEU 13 HG LEU 13 7.587 0.864 -3.431 101 HD11 LEU 13 HD11 LEU 13 8.386 -0.857 -1.915 102 HD12 LEU 13 HD12 LEU 13 8.081 -1.530 -3.517 103 HD13 LEU 13 HD13 LEU 13 6.933 -1.809 -2.208 104 HD21 LEU 13 HD21 LEU 13 6.326 -0.623 -4.937 105 HD22 LEU 13 HD22 LEU 13 5.384 0.779 -4.433 106 HD23 LEU 13 HD23 LEU 13 5.083 -0.796 -3.699 107 H LEU 14 H LEU 14 6.363 3.295 0.007 108 HA LEU 14 HA LEU 14 4.292 2.818 1.834 109 HB2 LEU 14 HB3 LEU 14 6.550 3.378 2.556 110 HB3 LEU 14 HB2 LEU 14 6.412 4.972 1.850 111 HG LEU 14 HG LEU 14 4.575 5.467 3.469 112 HD11 LEU 14 HD11 LEU 14 3.839 3.226 3.975 113 HD12 LEU 14 HD12 LEU 14 4.390 4.013 5.452 114 HD13 LEU 14 HD13 LEU 14 5.418 2.825 4.650 115 HD21 LEU 14 HD21 LEU 14 6.064 5.786 5.377 116 HD22 LEU 14 HD22 LEU 14 6.860 6.212 3.863 117 HD23 LEU 14 HD23 LEU 14 7.232 4.681 4.655 118 H SER 15 H SER 15 4.984 5.621 -0.260 119 HA SER 15 HA SER 15 2.871 7.231 0.657 120 HB2 SER 15 HB3 SER 15 4.097 7.138 -2.110 121 HB3 SER 15 HB2 SER 15 3.176 8.477 -1.424 122 HG SER 15 HG SER 15 5.777 7.608 -0.848 123 H LYS 16 H LYS 16 3.021 4.741 -1.838 124 HA LYS 16 HA LYS 16 0.325 5.046 -2.707 125 HB2 LYS 16 HB3 LYS 16 2.168 3.943 -4.011 126 HB3 LYS 16 HB2 LYS 16 2.083 2.592 -2.891 127 HG2 LYS 16 HG3 LYS 16 0.885 2.069 -4.912 128 HG3 LYS 16 HG2 LYS 16 -0.245 2.199 -3.562 129 HD2 LYS 16 HD3 LYS 16 -0.933 4.388 -4.273 130 HD3 LYS 16 HD2 LYS 16 0.316 4.424 -5.520 131 HE2 LYS 16 HE3 LYS 16 -2.007 2.501 -5.411 132 HE3 LYS 16 HE2 LYS 16 -1.902 3.923 -6.448 133 HZ1 LYS 16 HZ1 LYS 16 -0.110 1.556 -6.538 134 HZ2 LYS 16 HZ2 LYS 16 0.054 2.935 -7.503 135 HZ3 LYS 16 HZ3 LYS 16 -1.306 1.948 -7.666 136 H ASN 17 H ASN 17 1.968 2.853 -0.473 137 HA ASN 17 HA ASN 17 -0.095 1.257 0.417 138 HB2 ASN 17 HB3 ASN 17 2.273 1.015 1.087 139 HB3 ASN 17 HB2 ASN 17 2.147 2.481 2.046 140 HD21 ASN 17 HD21 ASN 17 1.442 -0.919 1.925 141 HD22 ASN 17 HD22 ASN 17 0.857 -1.047 3.543 142 H TYR 18 H TYR 18 0.836 4.473 1.576 143 HA TYR 18 HA TYR 18 -0.908 4.727 3.691 144 HB2 TYR 18 HB3 TYR 18 0.910 6.230 3.418 145 HB3 TYR 18 HB2 TYR 18 0.370 6.703 1.812 146 HD1 TYR 18 HD1 TYR 18 -0.859 8.613 1.542 147 HD2 TYR 18 HD2 TYR 18 -0.690 6.793 5.371 148 HE1 TYR 18 HE1 TYR 18 -2.070 10.507 2.487 149 HE2 TYR 18 HE2 TYR 18 -1.902 8.685 6.332 150 HH TYR 18 HH TYR 18 -2.319 11.055 5.839 151 H HIS 19 H HIS 19 -1.362 5.723 0.288 152 HA HIS 19 HA HIS 19 -3.945 6.797 0.751 153 HB2 HIS 19 HB3 HIS 19 -2.587 7.482 -1.182 154 HB3 HIS 19 HB2 HIS 19 -2.745 5.865 -1.864 155 HD1 HIS 19 HD1 HIS 19 -4.217 6.191 -3.848 156 HD2 HIS 19 HD2 HIS 19 -5.664 8.154 -0.483 157 HE1 HIS 19 HE1 HIS 19 -6.484 7.066 -4.495 158 HE2 HIS 19 HE2 HIS 19 -7.421 8.049 -2.371 159 H LEU 20 H LEU 20 -2.806 3.610 -0.268 160 HA LEU 20 HA LEU 20 -5.327 2.518 -0.883 161 HB2 LEU 20 HB3 LEU 20 -2.915 1.117 0.272 162 HB3 LEU 20 HB2 LEU 20 -4.301 0.329 -0.452 163 HG LEU 20 HG LEU 20 -2.405 2.159 -1.921 164 HD11 LEU 20 HD11 LEU 20 -1.343 0.074 -1.249 165 HD12 LEU 20 HD12 LEU 20 -1.610 0.122 -2.991 166 HD13 LEU 20 HD13 LEU 20 -2.672 -0.840 -1.961 167 HD21 LEU 20 HD21 LEU 20 -4.647 2.193 -2.863 168 HD22 LEU 20 HD22 LEU 20 -4.677 0.431 -2.895 169 HD23 LEU 20 HD23 LEU 20 -3.546 1.311 -3.921 170 H GLU 21 H GLU 21 -3.466 2.590 2.123 171 HA GLU 21 HA GLU 21 -5.245 1.255 3.796 172 HB2 GLU 21 HB3 GLU 21 -2.841 2.673 4.061 173 HB3 GLU 21 HB2 GLU 21 -3.968 3.525 5.103 174 HG2 GLU 21 HG3 GLU 21 -3.312 0.583 5.249 175 HG3 GLU 21 HG2 GLU 21 -2.700 1.842 6.317 176 H ASN 22 H ASN 22 -5.150 4.633 2.790 177 HA ASN 22 HA ASN 22 -7.264 5.569 4.400 178 HB2 ASN 22 HB3 ASN 22 -6.285 6.534 1.707 179 HB3 ASN 22 HB2 ASN 22 -7.469 7.388 2.685 180 HD21 ASN 22 HD21 ASN 22 -6.124 6.716 5.202 181 HD22 ASN 22 HD22 ASN 22 -4.716 7.715 5.264 182 H GLU 23 H GLU 23 -7.251 4.464 1.011 183 HA GLU 23 HA GLU 23 -9.993 4.790 0.548 184 HB2 GLU 23 HB3 GLU 23 -8.073 2.834 -0.726 185 HB3 GLU 23 HB2 GLU 23 -9.674 3.219 -1.348 186 HG2 GLU 23 HG3 GLU 23 -7.362 5.131 -1.067 187 HG3 GLU 23 HG2 GLU 23 -7.954 4.415 -2.565 188 H VAL 24 H VAL 24 -8.178 2.027 1.802 189 HA VAL 24 HA VAL 24 -10.191 0.122 1.886 190 HB VAL 24 HB VAL 24 -7.971 0.577 3.893 191 HG11 VAL 24 HG11 VAL 24 -8.336 -1.746 4.582 192 HG12 VAL 24 HG12 VAL 24 -9.732 -1.845 3.509 193 HG13 VAL 24 HG13 VAL 24 -9.760 -0.752 4.893 194 HG21 VAL 24 HG21 VAL 24 -6.884 -1.284 2.688 195 HG22 VAL 24 HG22 VAL 24 -7.144 0.129 1.665 196 HG23 VAL 24 HG23 VAL 24 -8.207 -1.271 1.521 197 H ALA 25 H ALA 25 -9.262 2.434 4.441 198 HA ALA 25 HA ALA 25 -11.326 1.843 6.231 199 HB1 ALA 25 HB1 ALA 25 -9.891 4.465 5.869 200 HB2 ALA 25 HB2 ALA 25 -9.333 3.108 6.847 201 HB3 ALA 25 HB3 ALA 25 -10.806 3.967 7.291 202 H ARG 26 H ARG 26 -11.182 4.331 3.690 203 HA ARG 26 HA ARG 26 -13.587 5.630 4.223 204 HB2 ARG 26 HB3 ARG 26 -12.331 5.128 1.517 205 HB3 ARG 26 HB2 ARG 26 -13.541 6.351 1.875 206 HG2 ARG 26 HG3 ARG 26 -11.984 7.490 3.346 207 HG3 ARG 26 HG2 ARG 26 -10.778 6.236 3.049 208 HD2 ARG 26 HD2 ARG 26 -10.274 8.146 1.675 209 HD3 ARG 26 HD1 ARG 26 -10.821 6.826 0.644 210 HE ARG 26 HE ARG 26 -12.956 8.568 1.392 211 HH11 ARG 26 HH11 ARG 26 -10.302 8.131 -0.859 212 HH12 ARG 26 HH12 ARG 26 -10.969 9.223 -2.034 213 HH21 ARG 26 HH21 ARG 26 -13.841 9.980 -0.171 214 HH22 ARG 26 HH22 ARG 26 -12.985 10.262 -1.652 215 H LEU 27 H LEU 27 -12.993 3.071 1.837 216 HA LEU 27 HA LEU 27 -15.671 2.732 1.072 217 HB2 LEU 27 HB3 LEU 27 -13.355 0.804 1.005 218 HB3 LEU 27 HB2 LEU 27 -14.884 0.531 0.193 219 HG LEU 27 HG LEU 27 -13.074 2.866 -0.372 220 HD11 LEU 27 HD11 LEU 27 -11.968 0.795 -0.976 221 HD12 LEU 27 HD12 LEU 27 -12.464 1.682 -2.416 222 HD13 LEU 27 HD13 LEU 27 -13.394 0.283 -1.879 223 HD21 LEU 27 HD21 LEU 27 -15.481 1.782 -1.822 224 HD22 LEU 27 HD22 LEU 27 -14.454 3.096 -2.390 225 HD23 LEU 27 HD23 LEU 27 -15.400 3.292 -0.916 226 H LYS 28 H LYS 28 -13.895 1.427 3.766 227 HA LYS 28 HA LYS 28 -15.629 -0.765 4.286 228 HB2 LYS 28 HB3 LYS 28 -13.210 -0.555 4.970 229 HB3 LYS 28 HB2 LYS 28 -13.736 0.580 6.202 230 HG2 LYS 28 HG3 LYS 28 -15.048 -1.130 7.281 231 HG3 LYS 28 HG2 LYS 28 -14.659 -2.275 5.996 232 HD2 LYS 28 HD3 LYS 28 -12.565 -0.949 7.712 233 HD3 LYS 28 HD2 LYS 28 -13.314 -2.507 8.123 234 HE2 LYS 28 HE3 LYS 28 -11.889 -1.973 5.507 235 HE3 LYS 28 HE2 LYS 28 -11.098 -2.643 6.933 236 HZ1 LYS 28 HZ1 LYS 28 -12.633 -4.499 6.872 237 HZ2 LYS 28 HZ2 LYS 28 -11.804 -4.374 5.406 238 HZ3 LYS 28 HZ3 LYS 28 -13.409 -3.857 5.516 239 H LYS 29 H LYS 29 -15.247 2.472 5.757 240 HA LYS 29 HA LYS 29 -17.383 2.170 7.587 241 HB2 LYS 29 HB3 LYS 29 -17.204 4.529 7.966 242 HB3 LYS 29 HB2 LYS 29 -15.583 3.875 7.786 243 HG2 LYS 29 HG3 LYS 29 -15.492 4.698 5.498 244 HG3 LYS 29 HG2 LYS 29 -17.133 5.331 5.656 245 HD2 LYS 29 HD3 LYS 29 -16.344 6.749 7.524 246 HD3 LYS 29 HD2 LYS 29 -14.701 6.189 7.216 247 HE2 LYS 29 HE3 LYS 29 -14.856 7.077 4.923 248 HE3 LYS 29 HE2 LYS 29 -16.467 7.690 5.286 249 HZ1 LYS 29 HZ1 LYS 29 -13.969 8.507 6.667 250 HZ2 LYS 29 HZ2 LYS 29 -15.516 9.113 6.976 251 HZ3 LYS 29 HZ3 LYS 29 -14.777 9.408 5.486 252 H LEU 30 H LEU 30 -17.339 2.638 4.213 253 HA LEU 30 HA LEU 30 -19.969 3.856 4.120 254 HB2 LEU 30 HB3 LEU 30 -18.228 2.775 1.905 255 HB3 LEU 30 HB2 LEU 30 -19.739 3.634 1.674 256 HG LEU 30 HG LEU 30 -17.223 4.783 2.883 257 HD11 LEU 30 HD11 LEU 30 -18.560 5.304 0.233 258 HD12 LEU 30 HD12 LEU 30 -17.060 4.408 0.477 259 HD13 LEU 30 HD13 LEU 30 -17.132 6.128 0.858 260 HD21 LEU 30 HD21 LEU 30 -18.422 6.924 2.791 261 HD22 LEU 30 HD22 LEU 30 -19.196 5.778 3.885 262 HD23 LEU 30 HD23 LEU 30 -19.882 6.073 2.288 263 H VAL 31 H VAL 31 -18.553 0.783 2.935 264 HA VAL 31 HA VAL 31 -21.082 -0.336 2.335 265 HB VAL 31 HB VAL 31 -18.968 -1.026 1.248 266 HG11 VAL 31 HG11 VAL 31 -17.494 -1.094 3.161 267 HG12 VAL 31 HG12 VAL 31 -17.522 -2.668 2.363 268 HG13 VAL 31 HG13 VAL 31 -18.422 -2.421 3.859 269 HG21 VAL 31 HG21 VAL 31 -19.479 -3.432 1.175 270 HG22 VAL 31 HG22 VAL 31 -20.917 -2.422 1.034 271 HG23 VAL 31 HG23 VAL 31 -20.548 -3.223 2.560 272 H GLY 32 H GLY 32 -19.121 -0.397 5.264 273 HA2 GLY 32 HA3 GLY 32 -21.001 -2.333 6.437 274 HA3 GLY 32 HA2 GLY 32 -19.396 -1.971 7.056 275 H GLU 33 H GLU 33 -22.353 -0.156 6.263 276 HA GLU 33 HA GLU 33 -22.628 0.760 8.968 277 HB2 GLU 33 HB3 GLU 33 -20.829 2.217 7.677 278 HB3 GLU 33 HB2 GLU 33 -22.247 2.956 6.957 279 HG2 GLU 33 HG3 GLU 33 -21.614 2.858 9.905 280 HG3 GLU 33 HG2 GLU 33 -21.400 4.242 8.842 281 H1 GLY 1 H1 GLY 1 26.628 -4.284 6.286 282 H2 GLY 1 H2 GLY 1 27.648 -3.595 5.129 283 H3 GLY 1 H3 GLY 1 26.217 -4.351 4.648 284 HA2 GLY 1 HA2 GLY 1 26.424 -1.874 6.260 285 HA3 GLY 1 HA3 GLY 1 25.959 -1.965 4.568 286 H SER 2 H SER 2 23.907 -1.177 4.751 287 HA SER 2 HA SER 2 22.037 -2.817 6.329 288 HB2 SER 2 HB3 SER 2 21.771 0.149 5.785 289 HB3 SER 2 HB2 SER 2 20.737 -0.837 6.819 290 HG SER 2 HG SER 2 22.255 -0.889 8.337 291 H MET 3 H MET 3 22.879 -3.090 3.553 292 HA MET 3 HA MET 3 21.029 -1.903 1.779 293 HB2 MET 3 HB3 MET 3 23.283 -3.050 1.272 294 HB3 MET 3 HB2 MET 3 22.368 -4.550 1.281 295 HG2 MET 3 HG3 MET 3 22.564 -3.829 -0.971 296 HG3 MET 3 HG2 MET 3 20.892 -3.576 -0.470 297 HE1 MET 3 HE1 MET 3 20.513 -2.003 -2.568 298 HE2 MET 3 HE2 MET 3 22.190 -2.223 -3.069 299 HE3 MET 3 HE3 MET 3 21.515 -0.599 -2.937 300 H LYS 4 H LYS 4 21.142 -5.092 3.329 301 HA LYS 4 HA LYS 4 18.735 -6.044 2.196 302 HB2 LYS 4 HB3 LYS 4 20.414 -6.897 4.519 303 HB3 LYS 4 HB2 LYS 4 18.818 -7.594 4.308 304 HG2 LYS 4 HG3 LYS 4 20.483 -9.031 3.329 305 HG3 LYS 4 HG2 LYS 4 19.458 -8.357 2.064 306 HD2 LYS 4 HD3 LYS 4 21.185 -6.703 1.549 307 HD3 LYS 4 HD2 LYS 4 22.205 -7.369 2.824 308 HE2 LYS 4 HE3 LYS 4 22.284 -9.508 1.653 309 HE3 LYS 4 HE2 LYS 4 21.238 -8.863 0.389 310 HZ1 LYS 4 HZ1 LYS 4 23.944 -7.843 1.065 311 HZ2 LYS 4 HZ2 LYS 4 22.944 -7.258 -0.165 312 HZ3 LYS 4 HZ3 LYS 4 23.568 -8.825 -0.259 313 H GLN 5 H GLN 5 19.347 -3.902 4.841 314 HA GLN 5 HA GLN 5 16.947 -4.214 6.266 315 HB2 GLN 5 HB3 GLN 5 18.771 -2.955 7.222 316 HB3 GLN 5 HB2 GLN 5 18.734 -1.804 5.895 317 HG2 GLN 5 HG3 GLN 5 17.748 -0.854 7.888 318 HG3 GLN 5 HG2 GLN 5 16.544 -1.027 6.614 319 HE21 GLN 5 HE21 GLN 5 17.712 -3.676 8.598 320 HE22 GLN 5 HE22 GLN 5 16.223 -3.941 9.437 321 H LEU 6 H LEU 6 17.807 -2.071 3.555 322 HA LEU 6 HA LEU 6 15.144 -1.053 3.332 323 HB2 LEU 6 HB3 LEU 6 17.471 -0.900 1.429 324 HB3 LEU 6 HB2 LEU 6 15.907 -0.191 1.115 325 HG LEU 6 HG LEU 6 16.173 1.202 3.171 326 HD11 LEU 6 HD11 LEU 6 17.810 -0.142 4.354 327 HD12 LEU 6 HD12 LEU 6 18.420 1.491 4.084 328 HD13 LEU 6 HD13 LEU 6 18.996 0.157 3.083 329 HD21 LEU 6 HD21 LEU 6 18.256 1.509 1.017 330 HD22 LEU 6 HD22 LEU 6 17.738 2.772 2.134 331 HD23 LEU 6 HD23 LEU 6 16.596 2.106 0.965 332 H GLU 7 H GLU 7 16.908 -3.739 1.946 333 HA GLU 7 HA GLU 7 15.159 -4.483 -0.091 334 HB2 GLU 7 HB3 GLU 7 16.846 -6.150 1.768 335 HB3 GLU 7 HB2 GLU 7 15.894 -6.863 0.478 336 HG2 GLU 7 HG3 GLU 7 18.013 -4.765 0.054 337 HG3 GLU 7 HG2 GLU 7 18.287 -6.518 -0.082 338 H ASP 8 H ASP 8 15.159 -5.633 3.294 339 HA ASP 8 HA ASP 8 12.757 -7.074 3.132 340 HB2 ASP 8 HB3 ASP 8 14.085 -5.764 5.511 341 HB3 ASP 8 HB2 ASP 8 12.673 -6.806 5.640 342 H LYS 9 H LYS 9 13.398 -3.713 3.874 343 HA LYS 9 HA LYS 9 10.892 -2.843 4.707 344 HB2 LYS 9 HB3 LYS 9 13.245 -1.648 3.411 345 HB3 LYS 9 HB2 LYS 9 11.741 -0.777 3.206 346 HG2 LYS 9 HG3 LYS 9 12.955 -1.557 5.851 347 HG3 LYS 9 HG2 LYS 9 13.076 0.027 5.093 348 HD2 LYS 9 HD3 LYS 9 10.584 0.162 5.131 349 HD3 LYS 9 HD2 LYS 9 10.572 -1.333 6.069 350 HE2 LYS 9 HE3 LYS 9 10.387 0.547 7.566 351 HE3 LYS 9 HE2 LYS 9 11.957 -0.222 7.788 352 HZ1 LYS 9 HZ1 LYS 9 11.414 2.268 6.265 353 HZ2 LYS 9 HZ2 LYS 9 12.920 1.503 6.346 354 HZ3 LYS 9 HZ3 LYS 9 12.225 2.146 7.744 355 H VAL 10 H VAL 10 12.223 -2.797 1.436 356 HA VAL 10 HA VAL 10 10.021 -1.691 0.105 357 HB VAL 10 HB VAL 10 12.140 -3.581 -0.953 358 HG11 VAL 10 HG11 VAL 10 10.248 -1.782 -2.465 359 HG12 VAL 10 HG12 VAL 10 10.185 -3.544 -2.416 360 HG13 VAL 10 HG13 VAL 10 11.556 -2.731 -3.171 361 HG21 VAL 10 HG21 VAL 10 13.107 -1.559 -0.060 362 HG22 VAL 10 HG22 VAL 10 11.960 -0.572 -0.965 363 HG23 VAL 10 HG23 VAL 10 13.179 -1.517 -1.822 364 H GLU 11 H GLU 11 10.897 -4.858 1.082 365 HA GLU 11 HA GLU 11 8.876 -6.223 -0.456 366 HB2 GLU 11 HB3 GLU 11 10.681 -7.197 1.751 367 HB3 GLU 11 HB2 GLU 11 9.590 -8.231 0.837 368 HG2 GLU 11 HG3 GLU 11 10.765 -7.510 -1.238 369 HG3 GLU 11 HG2 GLU 11 11.932 -6.671 -0.219 370 H GLU 12 H GLU 12 9.218 -5.448 3.042 371 HA GLU 12 HA GLU 12 6.830 -6.717 3.834 372 HB2 GLU 12 HB3 GLU 12 8.295 -4.358 5.017 373 HB3 GLU 12 HB2 GLU 12 6.914 -5.125 5.789 374 HG2 GLU 12 HG3 GLU 12 9.530 -6.458 5.125 375 HG3 GLU 12 HG2 GLU 12 9.014 -5.917 6.722 376 H LEU 13 H LEU 13 7.397 -3.278 3.200 377 HA LEU 13 HA LEU 13 4.799 -2.368 3.420 378 HB2 LEU 13 HB3 LEU 13 6.989 -1.358 1.613 379 HB3 LEU 13 HB2 LEU 13 5.515 -0.482 1.983 380 HG LEU 13 HG LEU 13 7.637 -1.264 3.985 381 HD11 LEU 13 HD11 LEU 13 8.391 0.481 2.472 382 HD12 LEU 13 HD12 LEU 13 8.098 1.135 4.083 383 HD13 LEU 13 HD13 LEU 13 6.928 1.409 2.793 384 HD21 LEU 13 HD21 LEU 13 6.373 0.192 5.520 385 HD22 LEU 13 HD22 LEU 13 5.447 -1.220 5.016 386 HD23 LEU 13 HD23 LEU 13 5.111 0.355 4.299 387 H LEU 14 H LEU 14 6.404 -3.689 0.543 388 HA LEU 14 HA LEU 14 4.299 -3.227 -1.250 389 HB2 LEU 14 HB3 LEU 14 6.555 -3.750 -2.006 390 HB3 LEU 14 HB2 LEU 14 6.448 -5.350 -1.310 391 HG LEU 14 HG LEU 14 4.596 -5.859 -2.912 392 HD11 LEU 14 HD11 LEU 14 3.825 -3.624 -3.387 393 HD12 LEU 14 HD12 LEU 14 4.369 -4.390 -4.879 394 HD13 LEU 14 HD13 LEU 14 5.390 -3.197 -4.077 395 HD21 LEU 14 HD21 LEU 14 6.065 -6.140 -4.843 396 HD22 LEU 14 HD22 LEU 14 6.887 -6.570 -3.343 397 HD23 LEU 14 HD23 LEU 14 7.229 -5.026 -4.124 398 H SER 15 H SER 15 5.062 -6.038 0.811 399 HA SER 15 HA SER 15 2.957 -7.668 -0.085 400 HB2 SER 15 HB3 SER 15 4.217 -7.584 2.665 401 HB3 SER 15 HB2 SER 15 3.305 -8.930 1.979 402 HG SER 15 HG SER 15 5.880 -8.001 1.353 403 H LYS 16 H LYS 16 3.110 -5.193 2.423 404 HA LYS 16 HA LYS 16 0.430 -5.544 3.327 405 HB2 LYS 16 HB3 LYS 16 2.270 -4.421 4.615 406 HB3 LYS 16 HB2 LYS 16 2.153 -3.065 3.505 407 HG2 LYS 16 HG3 LYS 16 0.968 -2.573 5.543 408 HG3 LYS 16 HG2 LYS 16 -0.175 -2.714 4.208 409 HD2 LYS 16 HD3 LYS 16 -0.815 -4.918 4.912 410 HD3 LYS 16 HD2 LYS 16 0.453 -4.943 6.139 411 HE2 LYS 16 HE3 LYS 16 -1.901 -3.056 6.086 412 HE3 LYS 16 HE2 LYS 16 -1.766 -4.494 7.098 413 HZ1 LYS 16 HZ1 LYS 16 0.007 -2.114 7.203 414 HZ2 LYS 16 HZ2 LYS 16 0.187 -3.502 8.148 415 HZ3 LYS 16 HZ3 LYS 16 -1.178 -2.525 8.339 416 H ASN 17 H ASN 17 2.010 -3.312 1.084 417 HA ASN 17 HA ASN 17 -0.089 -1.741 0.234 418 HB2 ASN 17 HB3 ASN 17 2.265 -1.458 -0.463 419 HB3 ASN 17 HB2 ASN 17 2.153 -2.919 -1.429 420 HD21 ASN 17 HD21 ASN 17 1.397 0.466 -1.280 421 HD22 ASN 17 HD22 ASN 17 0.787 0.593 -2.888 422 H TYR 18 H TYR 18 0.879 -4.931 -0.967 423 HA TYR 18 HA TYR 18 -0.893 -5.202 -3.052 424 HB2 TYR 18 HB3 TYR 18 0.950 -6.681 -2.815 425 HB3 TYR 18 HB2 TYR 18 0.438 -7.174 -1.205 426 HD1 TYR 18 HD1 TYR 18 -0.764 -9.105 -0.939 427 HD2 TYR 18 HD2 TYR 18 -0.666 -7.248 -4.752 428 HE1 TYR 18 HE1 TYR 18 -1.963 -11.006 -1.886 429 HE2 TYR 18 HE2 TYR 18 -1.867 -9.144 -5.715 430 HH TYR 18 HH TYR 18 -2.227 -11.555 -5.212 431 H HIS 19 H HIS 19 -1.289 -6.230 0.351 432 HA HIS 19 HA HIS 19 -3.864 -7.335 -0.087 433 HB2 HIS 19 HB3 HIS 19 -2.476 -8.015 1.827 434 HB3 HIS 19 HB2 HIS 19 -2.643 -6.404 2.521 435 HD1 HIS 19 HD1 HIS 19 -4.087 -6.775 4.531 436 HD2 HIS 19 HD2 HIS 19 -5.553 -8.713 1.160 437 HE1 HIS 19 HE1 HIS 19 -6.335 -7.685 5.194 438 HE2 HIS 19 HE2 HIS 19 -7.280 -8.674 3.079 439 H LEU 20 H LEU 20 -2.758 -4.140 0.944 440 HA LEU 20 HA LEU 20 -5.286 -3.089 1.600 441 HB2 LEU 20 HB3 LEU 20 -2.908 -1.649 0.424 442 HB3 LEU 20 HB2 LEU 20 -4.296 -0.884 1.167 443 HG LEU 20 HG LEU 20 -2.356 -2.691 2.605 444 HD11 LEU 20 HD11 LEU 20 -1.333 -0.589 1.932 445 HD12 LEU 20 HD12 LEU 20 -1.576 -0.653 3.676 446 HD13 LEU 20 HD13 LEU 20 -2.665 0.302 2.667 447 HD21 LEU 20 HD21 LEU 20 -4.585 -2.769 3.572 448 HD22 LEU 20 HD22 LEU 20 -4.641 -1.007 3.618 449 HD23 LEU 20 HD23 LEU 20 -3.484 -1.879 4.623 450 H GLU 21 H GLU 21 -3.464 -3.107 -1.434 451 HA GLU 21 HA GLU 21 -5.288 -1.791 -3.074 452 HB2 GLU 21 HB3 GLU 21 -2.868 -3.172 -3.380 453 HB3 GLU 21 HB2 GLU 21 -3.996 -4.029 -4.416 454 HG2 GLU 21 HG3 GLU 21 -3.382 -1.078 -4.546 455 HG3 GLU 21 HG2 GLU 21 -2.761 -2.319 -5.627 456 H ASN 22 H ASN 22 -5.129 -5.173 -2.089 457 HA ASN 22 HA ASN 22 -7.251 -6.131 -3.681 458 HB2 ASN 22 HB3 ASN 22 -6.224 -7.107 -1.009 459 HB3 ASN 22 HB2 ASN 22 -7.407 -7.969 -1.982 460 HD21 ASN 22 HD21 ASN 22 -6.099 -7.254 -4.509 461 HD22 ASN 22 HD22 ASN 22 -4.681 -8.237 -4.595 462 H GLU 23 H GLU 23 -7.205 -5.047 -0.282 463 HA GLU 23 HA GLU 23 -9.937 -5.419 0.214 464 HB2 GLU 23 HB3 GLU 23 -8.028 -3.446 1.480 465 HB3 GLU 23 HB2 GLU 23 -9.617 -3.856 2.119 466 HG2 GLU 23 HG3 GLU 23 -7.279 -5.729 1.796 467 HG3 GLU 23 HG2 GLU 23 -7.879 -5.046 3.307 468 H VAL 24 H VAL 24 -8.178 -2.623 -1.044 469 HA VAL 24 HA VAL 24 -10.219 -0.749 -1.088 470 HB VAL 24 HB VAL 24 -8.021 -1.156 -3.128 471 HG11 VAL 24 HG11 VAL 24 -8.429 1.165 -3.799 472 HG12 VAL 24 HG12 VAL 24 -9.812 1.238 -2.707 473 HG13 VAL 24 HG13 VAL 24 -9.842 0.153 -4.096 474 HG21 VAL 24 HG21 VAL 24 -6.943 0.711 -1.924 475 HG22 VAL 24 HG22 VAL 24 -7.171 -0.712 -0.908 476 HG23 VAL 24 HG23 VAL 24 -8.249 0.673 -0.740 477 H ALA 25 H ALA 25 -9.296 -3.027 -3.675 478 HA ALA 25 HA ALA 25 -11.394 -2.449 -5.431 479 HB1 ALA 25 HB1 ALA 25 -9.917 -5.056 -5.109 480 HB2 ALA 25 HB2 ALA 25 -9.392 -3.684 -6.083 481 HB3 ALA 25 HB3 ALA 25 -10.860 -4.558 -6.514 482 H ARG 26 H ARG 26 -11.178 -4.955 -2.910 483 HA ARG 26 HA ARG 26 -13.570 -6.286 -3.418 484 HB2 ARG 26 HB3 ARG 26 -12.282 -5.786 -0.727 485 HB3 ARG 26 HB2 ARG 26 -13.479 -7.023 -1.074 486 HG2 ARG 26 HG3 ARG 26 -11.927 -8.130 -2.578 487 HG3 ARG 26 HG2 ARG 26 -10.736 -6.860 -2.290 488 HD2 ARG 26 HD2 ARG 26 -10.182 -8.772 -0.938 489 HD3 ARG 26 HD1 ARG 26 -10.733 -7.467 0.111 490 HE ARG 26 HE ARG 26 -12.853 -9.237 -0.618 491 HH11 ARG 26 HH11 ARG 26 -10.176 -8.767 1.608 492 HH12 ARG 26 HH12 ARG 26 -10.811 -9.881 2.783 493 HH21 ARG 26 HH21 ARG 26 -13.687 -10.681 0.949 494 HH22 ARG 26 HH22 ARG 26 -12.804 -10.955 2.418 495 H LEU 27 H LEU 27 -12.976 -3.735 -1.026 496 HA LEU 27 HA LEU 27 -15.647 -3.440 -0.217 497 HB2 LEU 27 HB3 LEU 27 -13.357 -1.478 -0.167 498 HB3 LEU 27 HB2 LEU 27 -14.879 -1.232 0.666 499 HG LEU 27 HG LEU 27 -13.027 -3.545 1.190 500 HD11 LEU 27 HD11 LEU 27 -11.945 -1.461 1.796 501 HD12 LEU 27 HD12 LEU 27 -12.407 -2.368 3.237 502 HD13 LEU 27 HD13 LEU 27 -13.366 -0.979 2.722 503 HD21 LEU 27 HD21 LEU 27 -15.429 -2.505 2.678 504 HD22 LEU 27 HD22 LEU 27 -14.377 -3.809 3.224 505 HD23 LEU 27 HD23 LEU 27 -15.340 -4.009 1.761 506 H LYS 28 H LYS 28 -13.930 -2.094 -2.928 507 HA LYS 28 HA LYS 28 -15.704 0.078 -3.409 508 HB2 LYS 28 HB3 LYS 28 -13.292 -0.090 -4.125 509 HB3 LYS 28 HB2 LYS 28 -13.816 -1.223 -5.358 510 HG2 LYS 28 HG3 LYS 28 -15.170 0.474 -6.408 511 HG3 LYS 28 HG2 LYS 28 -14.778 1.617 -5.120 512 HD2 LYS 28 HD3 LYS 28 -12.691 0.329 -6.872 513 HD3 LYS 28 HD2 LYS 28 -13.467 1.880 -7.267 514 HE2 LYS 28 HE3 LYS 28 -12.001 1.349 -4.674 515 HE3 LYS 28 HE2 LYS 28 -11.240 2.045 -6.103 516 HZ1 LYS 28 HZ1 LYS 28 -12.803 3.873 -6.011 517 HZ2 LYS 28 HZ2 LYS 28 -11.956 3.750 -4.554 518 HZ3 LYS 28 HZ3 LYS 28 -13.552 3.208 -4.651 519 H LYS 29 H LYS 29 -15.294 -3.146 -4.907 520 HA LYS 29 HA LYS 29 -17.465 -2.864 -6.699 521 HB2 LYS 29 HB3 LYS 29 -17.248 -5.213 -7.109 522 HB3 LYS 29 HB2 LYS 29 -15.635 -4.534 -6.939 523 HG2 LYS 29 HG3 LYS 29 -15.502 -5.376 -4.665 524 HG3 LYS 29 HG2 LYS 29 -17.137 -6.027 -4.802 525 HD2 LYS 29 HD3 LYS 29 -16.366 -7.428 -6.688 526 HD3 LYS 29 HD2 LYS 29 -14.725 -6.846 -6.410 527 HE2 LYS 29 HE3 LYS 29 -14.825 -7.745 -4.114 528 HE3 LYS 29 HE2 LYS 29 -16.431 -8.383 -4.454 529 HZ1 LYS 29 HZ1 LYS 29 -13.939 -9.144 -5.873 530 HZ2 LYS 29 HZ2 LYS 29 -15.480 -9.774 -6.174 531 HZ3 LYS 29 HZ3 LYS 29 -14.719 -10.071 -4.694 532 H LEU 30 H LEU 30 -17.365 -3.348 -3.333 533 HA LEU 30 HA LEU 30 -19.976 -4.605 -3.213 534 HB2 LEU 30 HB3 LEU 30 -18.219 -3.517 -1.014 535 HB3 LEU 30 HB2 LEU 30 -19.713 -4.400 -0.768 536 HG LEU 30 HG LEU 30 -17.200 -5.503 -2.026 537 HD11 LEU 30 HD11 LEU 30 -18.488 -6.061 0.640 538 HD12 LEU 30 HD12 LEU 30 -17.008 -5.139 0.382 539 HD13 LEU 30 HD13 LEU 30 -17.056 -6.857 -0.010 540 HD21 LEU 30 HD21 LEU 30 -18.369 -7.660 -1.929 541 HD22 LEU 30 HD22 LEU 30 -19.175 -6.518 -3.004 542 HD23 LEU 30 HD23 LEU 30 -19.833 -6.833 -1.397 543 H VAL 31 H VAL 31 -18.585 -1.519 -2.027 544 HA VAL 31 HA VAL 31 -21.123 -0.442 -1.385 545 HB VAL 31 HB VAL 31 -19.005 0.270 -0.323 546 HG11 VAL 31 HG11 VAL 31 -17.560 0.374 -2.256 547 HG12 VAL 31 HG12 VAL 31 -17.597 1.940 -1.444 548 HG13 VAL 31 HG13 VAL 31 -18.515 1.694 -2.929 549 HG21 VAL 31 HG21 VAL 31 -19.552 2.667 -0.227 550 HG22 VAL 31 HG22 VAL 31 -20.970 1.632 -0.072 551 HG23 VAL 31 HG23 VAL 31 -20.638 2.449 -1.599 552 H GLY 32 H GLY 32 -19.206 -0.340 -4.342 553 HA2 GLY 32 HA3 GLY 32 -21.124 1.582 -5.473 554 HA3 GLY 32 HA2 GLY 32 -19.523 1.251 -6.116 555 H GLU 33 H GLU 33 -22.436 -0.622 -5.297 556 HA GLU 33 HA GLU 33 -22.744 -1.522 -8.004 557 HB2 GLU 33 HB3 GLU 33 -20.898 -2.953 -6.755 558 HB3 GLU 33 HB2 GLU 33 -22.290 -3.721 -6.018 559 HG2 GLU 33 HG3 GLU 33 -21.706 -3.593 -8.972 560 HG3 GLU 33 HG2 GLU 33 -21.464 -4.982 -7.922 Start of MODEL 2 1 H1 GLY 1 H1 GLY 1 19.779 -4.481 -5.799 2 H2 GLY 1 H2 GLY 1 20.423 -4.181 -4.265 3 H3 GLY 1 H3 GLY 1 21.367 -3.918 -5.641 4 HA2 GLY 1 HA2 GLY 1 19.913 -2.139 -6.351 5 HA3 GLY 1 HA3 GLY 1 18.908 -2.420 -4.936 6 H SER 2 H SER 2 20.578 -0.085 -5.896 7 HA SER 2 HA SER 2 22.684 0.206 -3.986 8 HB2 SER 2 HB3 SER 2 21.275 2.318 -5.637 9 HB3 SER 2 HB2 SER 2 22.822 2.505 -4.812 10 HG SER 2 HG SER 2 23.369 0.517 -6.176 11 H MET 3 H MET 3 22.718 1.898 -2.286 12 HA MET 3 HA MET 3 20.673 1.378 -0.457 13 HB2 MET 3 HB3 MET 3 22.778 3.533 -0.484 14 HB3 MET 3 HB2 MET 3 21.678 3.291 0.864 15 HG2 MET 3 HG3 MET 3 22.527 1.012 1.133 16 HG3 MET 3 HG2 MET 3 23.645 1.280 -0.203 17 HE1 MET 3 HE1 MET 3 25.932 1.214 3.003 18 HE2 MET 3 HE2 MET 3 25.592 0.461 1.445 19 HE3 MET 3 HE3 MET 3 24.442 0.298 2.772 20 H LYS 4 H LYS 4 21.357 4.537 -2.022 21 HA LYS 4 HA LYS 4 18.975 5.698 -1.074 22 HB2 LYS 4 HB3 LYS 4 19.568 7.604 -2.212 23 HB3 LYS 4 HB2 LYS 4 21.122 6.810 -2.069 24 HG2 LYS 4 HG3 LYS 4 19.370 6.741 -4.514 25 HG3 LYS 4 HG2 LYS 4 20.736 7.825 -4.276 26 HD2 LYS 4 HD3 LYS 4 22.190 5.809 -4.040 27 HD3 LYS 4 HD2 LYS 4 20.799 4.819 -4.484 28 HE2 LYS 4 HE3 LYS 4 22.150 6.931 -6.158 29 HE3 LYS 4 HE2 LYS 4 22.143 5.192 -6.443 30 HZ1 LYS 4 HZ1 LYS 4 19.760 5.300 -6.832 31 HZ2 LYS 4 HZ2 LYS 4 20.578 6.341 -7.879 32 HZ3 LYS 4 HZ3 LYS 4 19.759 6.966 -6.538 33 H GLN 5 H GLN 5 19.586 3.635 -3.751 34 HA GLN 5 HA GLN 5 17.332 4.285 -5.343 35 HB2 GLN 5 HB3 GLN 5 19.201 3.105 -6.310 36 HB3 GLN 5 HB2 GLN 5 19.031 1.797 -5.151 37 HG2 GLN 5 HG3 GLN 5 16.853 1.233 -6.136 38 HG3 GLN 5 HG2 GLN 5 17.082 2.510 -7.330 39 HE21 GLN 5 HE21 GLN 5 18.602 2.239 -8.953 40 HE22 GLN 5 HE22 GLN 5 19.297 0.697 -9.321 41 H LEU 6 H LEU 6 17.984 1.722 -2.981 42 HA LEU 6 HA LEU 6 15.350 0.643 -3.082 43 HB2 LEU 6 HB3 LEU 6 17.540 0.363 -1.023 44 HB3 LEU 6 HB2 LEU 6 16.040 -0.539 -0.988 45 HG LEU 6 HG LEU 6 18.036 -0.689 -3.252 46 HD11 LEU 6 HD11 LEU 6 17.606 -2.556 -0.929 47 HD12 LEU 6 HD12 LEU 6 19.031 -1.558 -1.220 48 HD13 LEU 6 HD13 LEU 6 18.635 -2.873 -2.326 49 HD21 LEU 6 HD21 LEU 6 15.627 -2.363 -2.563 50 HD22 LEU 6 HD22 LEU 6 16.761 -2.688 -3.872 51 HD23 LEU 6 HD23 LEU 6 15.763 -1.236 -3.912 52 H GLU 7 H GLU 7 16.997 3.011 -1.094 53 HA GLU 7 HA GLU 7 15.106 3.409 0.893 54 HB2 GLU 7 HB3 GLU 7 17.400 4.391 0.813 55 HB3 GLU 7 HB2 GLU 7 16.844 5.504 -0.427 56 HG2 GLU 7 HG3 GLU 7 15.203 6.418 1.181 57 HG3 GLU 7 HG2 GLU 7 15.900 5.354 2.424 58 H ASP 8 H ASP 8 15.364 4.912 -2.318 59 HA ASP 8 HA ASP 8 13.166 6.631 -2.132 60 HB2 ASP 8 HB3 ASP 8 14.648 5.378 -4.395 61 HB3 ASP 8 HB2 ASP 8 13.086 6.109 -4.743 62 H LYS 9 H LYS 9 13.355 3.271 -3.176 63 HA LYS 9 HA LYS 9 10.643 2.932 -3.910 64 HB2 LYS 9 HB3 LYS 9 12.139 0.705 -2.560 65 HB3 LYS 9 HB2 LYS 9 10.942 0.612 -3.836 66 HG2 LYS 9 HG3 LYS 9 13.771 1.592 -4.150 67 HG3 LYS 9 HG2 LYS 9 13.114 0.061 -4.725 68 HD2 LYS 9 HD3 LYS 9 12.417 2.835 -5.692 69 HD3 LYS 9 HD2 LYS 9 13.237 1.561 -6.584 70 HE2 LYS 9 HE3 LYS 9 11.253 0.235 -6.666 71 HE3 LYS 9 HE2 LYS 9 10.416 1.320 -5.557 72 HZ1 LYS 9 HZ1 LYS 9 9.728 1.721 -7.817 73 HZ2 LYS 9 HZ2 LYS 9 11.324 1.993 -8.300 74 HZ3 LYS 9 HZ3 LYS 9 10.569 3.070 -7.228 75 H VAL 10 H VAL 10 12.256 2.499 -0.812 76 HA VAL 10 HA VAL 10 10.140 1.469 0.698 77 HB VAL 10 HB VAL 10 12.326 3.356 1.611 78 HG11 VAL 10 HG11 VAL 10 10.485 3.231 3.214 79 HG12 VAL 10 HG12 VAL 10 11.930 2.439 3.840 80 HG13 VAL 10 HG13 VAL 10 10.597 1.472 3.211 81 HG21 VAL 10 HG21 VAL 10 12.209 0.347 1.520 82 HG22 VAL 10 HG22 VAL 10 13.457 1.276 2.349 83 HG23 VAL 10 HG23 VAL 10 13.284 1.397 0.598 84 H GLU 11 H GLU 11 11.033 4.670 -0.282 85 HA GLU 11 HA GLU 11 8.988 6.041 1.199 86 HB2 GLU 11 HB3 GLU 11 10.660 6.941 -1.148 87 HB3 GLU 11 HB2 GLU 11 9.576 7.987 -0.242 88 HG2 GLU 11 HG3 GLU 11 12.003 6.568 0.832 89 HG3 GLU 11 HG2 GLU 11 11.864 8.289 0.480 90 H GLU 12 H GLU 12 9.339 5.215 -2.278 91 HA GLU 12 HA GLU 12 6.949 6.311 -3.190 92 HB2 GLU 12 HB3 GLU 12 8.343 3.811 -4.162 93 HB3 GLU 12 HB2 GLU 12 7.098 4.677 -5.046 94 HG2 GLU 12 HG3 GLU 12 8.569 6.645 -5.142 95 HG3 GLU 12 HG2 GLU 12 9.823 5.717 -4.317 96 H LEU 13 H LEU 13 7.506 2.888 -2.476 97 HA LEU 13 HA LEU 13 4.920 1.975 -2.719 98 HB2 LEU 13 HB3 LEU 13 7.117 0.974 -0.917 99 HB3 LEU 13 HB2 LEU 13 5.638 0.094 -1.253 100 HG LEU 13 HG LEU 13 7.684 0.882 -3.330 101 HD11 LEU 13 HD11 LEU 13 8.589 -0.778 -1.818 102 HD12 LEU 13 HD12 LEU 13 8.221 -1.514 -3.378 103 HD13 LEU 13 HD13 LEU 13 7.144 -1.770 -2.006 104 HD21 LEU 13 HD21 LEU 13 6.423 -0.658 -4.773 105 HD22 LEU 13 HD22 LEU 13 5.447 0.715 -4.254 106 HD23 LEU 13 HD23 LEU 13 5.227 -0.860 -3.493 107 H LEU 14 H LEU 14 6.464 3.353 0.163 108 HA LEU 14 HA LEU 14 4.303 2.820 1.895 109 HB2 LEU 14 HB3 LEU 14 6.549 3.324 2.729 110 HB3 LEU 14 HB2 LEU 14 6.436 4.950 2.096 111 HG LEU 14 HG LEU 14 4.556 5.390 3.663 112 HD11 LEU 14 HD11 LEU 14 4.242 3.823 5.546 113 HD12 LEU 14 HD12 LEU 14 5.261 2.653 4.710 114 HD13 LEU 14 HD13 LEU 14 3.726 3.154 4.001 115 HD21 LEU 14 HD21 LEU 14 5.945 5.550 5.661 116 HD22 LEU 14 HD22 LEU 14 6.838 6.035 4.221 117 HD23 LEU 14 HD23 LEU 14 7.120 4.451 4.939 118 H SER 15 H SER 15 5.152 5.649 -0.099 119 HA SER 15 HA SER 15 3.012 7.284 0.683 120 HB2 SER 15 HB3 SER 15 4.965 8.024 -0.683 121 HB3 SER 15 HB2 SER 15 4.309 7.128 -2.051 122 HG SER 15 HG SER 15 3.472 9.522 -0.906 123 H LYS 16 H LYS 16 3.269 4.827 -1.856 124 HA LYS 16 HA LYS 16 0.625 5.113 -2.827 125 HB2 LYS 16 HB3 LYS 16 2.404 3.991 -4.107 126 HB3 LYS 16 HB2 LYS 16 2.454 2.703 -2.913 127 HG2 LYS 16 HG3 LYS 16 0.091 2.169 -3.470 128 HG3 LYS 16 HG2 LYS 16 0.170 3.373 -4.757 129 HD2 LYS 16 HD3 LYS 16 1.917 2.138 -5.868 130 HD3 LYS 16 HD2 LYS 16 2.003 0.987 -4.533 131 HE2 LYS 16 HE3 LYS 16 0.763 0.023 -6.372 132 HE3 LYS 16 HE2 LYS 16 -0.314 0.300 -5.006 133 HZ1 LYS 16 HZ1 LYS 16 -1.091 2.324 -6.095 134 HZ2 LYS 16 HZ2 LYS 16 -1.343 0.971 -7.076 135 HZ3 LYS 16 HZ3 LYS 16 -0.068 2.031 -7.410 136 H ASN 17 H ASN 17 2.086 2.975 -0.405 137 HA ASN 17 HA ASN 17 -0.092 1.370 0.194 138 HB2 ASN 17 HB3 ASN 17 2.230 1.079 1.078 139 HB3 ASN 17 HB2 ASN 17 1.952 2.437 2.158 140 HD21 ASN 17 HD21 ASN 17 1.262 -0.930 1.560 141 HD22 ASN 17 HD22 ASN 17 0.482 -1.224 3.066 142 H TYR 18 H TYR 18 0.721 4.570 1.439 143 HA TYR 18 HA TYR 18 -1.326 4.756 3.360 144 HB2 TYR 18 HB3 TYR 18 0.173 6.872 1.823 145 HB3 TYR 18 HB2 TYR 18 -1.080 7.287 2.986 146 HD1 TYR 18 HD1 TYR 18 -0.537 5.305 5.134 147 HD2 TYR 18 HD2 TYR 18 2.147 7.667 2.813 148 HE1 TYR 18 HE1 TYR 18 1.108 5.218 6.950 149 HE2 TYR 18 HE2 TYR 18 3.800 7.568 4.625 150 HH TYR 18 HH TYR 18 3.474 5.454 7.304 151 H HIS 19 H HIS 19 -1.268 5.493 -0.079 152 HA HIS 19 HA HIS 19 -3.722 6.760 -0.374 153 HB2 HIS 19 HB3 HIS 19 -2.111 6.532 -2.220 154 HB3 HIS 19 HB2 HIS 19 -2.399 4.792 -2.263 155 HD1 HIS 19 HD1 HIS 19 -3.883 8.055 -3.324 156 HD2 HIS 19 HD2 HIS 19 -4.815 4.008 -3.453 157 HE1 HIS 19 HE1 HIS 19 -5.832 7.856 -4.902 158 HE2 HIS 19 HE2 HIS 19 -6.534 5.439 -4.735 159 H LEU 20 H LEU 20 -2.987 3.292 -0.506 160 HA LEU 20 HA LEU 20 -5.673 2.548 -1.027 161 HB2 LEU 20 HB3 LEU 20 -3.317 0.934 -0.061 162 HB3 LEU 20 HB2 LEU 20 -4.890 0.251 -0.381 163 HG LEU 20 HG LEU 20 -3.435 -0.199 -2.231 164 HD11 LEU 20 HD11 LEU 20 -5.786 0.168 -2.694 165 HD12 LEU 20 HD12 LEU 20 -4.777 0.683 -4.044 166 HD13 LEU 20 HD13 LEU 20 -5.474 1.883 -2.956 167 HD21 LEU 20 HD21 LEU 20 -1.870 1.640 -2.009 168 HD22 LEU 20 HD22 LEU 20 -3.118 2.773 -2.530 169 HD23 LEU 20 HD23 LEU 20 -2.519 1.547 -3.646 170 H GLU 21 H GLU 21 -3.715 2.713 1.930 171 HA GLU 21 HA GLU 21 -5.495 1.511 3.700 172 HB2 GLU 21 HB3 GLU 21 -3.636 3.842 4.182 173 HB3 GLU 21 HB2 GLU 21 -4.490 2.996 5.457 174 HG2 GLU 21 HG3 GLU 21 -3.300 0.910 4.751 175 HG3 GLU 21 HG2 GLU 21 -2.338 1.911 3.662 176 H ASN 22 H ASN 22 -5.363 4.848 2.554 177 HA ASN 22 HA ASN 22 -7.392 5.867 4.224 178 HB2 ASN 22 HB3 ASN 22 -6.431 6.817 1.521 179 HB3 ASN 22 HB2 ASN 22 -7.534 7.720 2.552 180 HD21 ASN 22 HD21 ASN 22 -6.174 6.942 5.018 181 HD22 ASN 22 HD22 ASN 22 -4.705 7.851 5.056 182 H GLU 23 H GLU 23 -7.487 4.546 0.929 183 HA GLU 23 HA GLU 23 -10.262 5.040 0.592 184 HB2 GLU 23 HB3 GLU 23 -8.471 3.104 -0.883 185 HB3 GLU 23 HB2 GLU 23 -10.104 3.549 -1.372 186 HG2 GLU 23 HG3 GLU 23 -9.160 5.974 -1.303 187 HG3 GLU 23 HG2 GLU 23 -7.601 5.164 -1.433 188 H VAL 24 H VAL 24 -8.418 2.185 1.633 189 HA VAL 24 HA VAL 24 -10.487 0.349 1.825 190 HB VAL 24 HB VAL 24 -8.072 0.695 3.612 191 HG11 VAL 24 HG11 VAL 24 -10.022 -1.611 3.555 192 HG12 VAL 24 HG12 VAL 24 -9.827 -0.457 4.874 193 HG13 VAL 24 HG13 VAL 24 -8.512 -1.557 4.462 194 HG21 VAL 24 HG21 VAL 24 -7.512 0.087 1.363 195 HG22 VAL 24 HG22 VAL 24 -8.741 -1.178 1.351 196 HG23 VAL 24 HG23 VAL 24 -7.322 -1.339 2.385 197 H ALA 25 H ALA 25 -9.339 2.645 4.295 198 HA ALA 25 HA ALA 25 -11.218 2.054 6.280 199 HB1 ALA 25 HB1 ALA 25 -10.613 4.200 7.263 200 HB2 ALA 25 HB2 ALA 25 -9.830 4.675 5.756 201 HB3 ALA 25 HB3 ALA 25 -9.185 3.330 6.698 202 H ARG 26 H ARG 26 -11.362 4.455 3.665 203 HA ARG 26 HA ARG 26 -13.780 5.659 4.449 204 HB2 ARG 26 HB3 ARG 26 -12.252 6.685 2.831 205 HB3 ARG 26 HB2 ARG 26 -12.581 5.391 1.687 206 HG2 ARG 26 HG3 ARG 26 -14.960 6.095 1.657 207 HG3 ARG 26 HG2 ARG 26 -14.523 7.464 2.681 208 HD2 ARG 26 HD2 ARG 26 -12.966 8.244 0.961 209 HD3 ARG 26 HD1 ARG 26 -13.417 6.879 -0.059 210 HE ARG 26 HE ARG 26 -15.659 8.473 0.739 211 HH11 ARG 26 HH11 ARG 26 -13.063 8.164 -1.588 212 HH12 ARG 26 HH12 ARG 26 -13.875 9.093 -2.808 213 HH21 ARG 26 HH21 ARG 26 -16.733 9.694 -0.868 214 HH22 ARG 26 HH22 ARG 26 -15.960 9.960 -2.396 215 H LEU 27 H LEU 27 -13.117 3.165 2.006 216 HA LEU 27 HA LEU 27 -15.785 2.713 1.274 217 HB2 LEU 27 HB3 LEU 27 -13.444 0.808 1.181 218 HB3 LEU 27 HB2 LEU 27 -14.960 0.589 0.329 219 HG LEU 27 HG LEU 27 -13.054 2.873 -0.141 220 HD11 LEU 27 HD11 LEU 27 -13.506 0.372 -1.751 221 HD12 LEU 27 HD12 LEU 27 -12.063 0.761 -0.813 222 HD13 LEU 27 HD13 LEU 27 -12.489 1.734 -2.220 223 HD21 LEU 27 HD21 LEU 27 -15.521 1.977 -1.620 224 HD22 LEU 27 HD22 LEU 27 -14.411 3.235 -2.163 225 HD23 LEU 27 HD23 LEU 27 -15.338 3.458 -0.680 226 H LYS 28 H LYS 28 -13.982 1.626 4.029 227 HA LYS 28 HA LYS 28 -15.523 -0.668 4.647 228 HB2 LYS 28 HB3 LYS 28 -13.203 0.393 5.610 229 HB3 LYS 28 HB2 LYS 28 -14.320 0.833 6.893 230 HG2 LYS 28 HG3 LYS 28 -13.329 -1.235 7.490 231 HG3 LYS 28 HG2 LYS 28 -14.992 -1.579 7.012 232 HD2 LYS 28 HD3 LYS 28 -14.248 -2.317 4.824 233 HD3 LYS 28 HD2 LYS 28 -12.572 -1.880 5.226 234 HE2 LYS 28 HE3 LYS 28 -12.837 -4.257 5.460 235 HE3 LYS 28 HE2 LYS 28 -12.641 -3.547 7.060 236 HZ1 LYS 28 HZ1 LYS 28 -15.044 -3.675 7.358 237 HZ2 LYS 28 HZ2 LYS 28 -14.387 -5.201 7.052 238 HZ3 LYS 28 HZ3 LYS 28 -15.211 -4.378 5.828 239 H LYS 29 H LYS 29 -15.562 2.686 5.851 240 HA LYS 29 HA LYS 29 -17.843 2.474 7.459 241 HB2 LYS 29 HB3 LYS 29 -16.944 4.896 5.882 242 HB3 LYS 29 HB2 LYS 29 -17.963 4.902 7.313 243 HG2 LYS 29 HG3 LYS 29 -16.126 4.194 8.697 244 HG3 LYS 29 HG2 LYS 29 -15.099 3.964 7.279 245 HD2 LYS 29 HD3 LYS 29 -15.217 6.357 6.809 246 HD3 LYS 29 HD2 LYS 29 -16.271 6.587 8.205 247 HE2 LYS 29 HE3 LYS 29 -14.005 7.205 8.779 248 HE3 LYS 29 HE2 LYS 29 -14.475 5.759 9.670 249 HZ1 LYS 29 HZ1 LYS 29 -13.254 4.420 8.078 250 HZ2 LYS 29 HZ2 LYS 29 -12.239 5.574 8.788 251 HZ3 LYS 29 HZ3 LYS 29 -12.809 5.807 7.214 252 H LEU 30 H LEU 30 -17.499 2.854 3.999 253 HA LEU 30 HA LEU 30 -20.184 3.715 3.535 254 HB2 LEU 30 HB3 LEU 30 -18.167 2.559 1.616 255 HB3 LEU 30 HB2 LEU 30 -19.671 3.335 1.161 256 HG LEU 30 HG LEU 30 -17.307 4.647 2.501 257 HD11 LEU 30 HD11 LEU 30 -18.522 5.046 -0.229 258 HD12 LEU 30 HD12 LEU 30 -17.021 4.188 0.114 259 HD13 LEU 30 HD13 LEU 30 -17.141 5.916 0.439 260 HD21 LEU 30 HD21 LEU 30 -18.592 6.735 2.245 261 HD22 LEU 30 HD22 LEU 30 -19.342 5.608 3.373 262 HD23 LEU 30 HD23 LEU 30 -19.992 5.788 1.744 263 H VAL 31 H VAL 31 -18.514 0.586 3.017 264 HA VAL 31 HA VAL 31 -20.840 -0.847 2.341 265 HB VAL 31 HB VAL 31 -18.378 -1.925 3.730 266 HG11 VAL 31 HG11 VAL 31 -20.245 -3.481 3.781 267 HG12 VAL 31 HG12 VAL 31 -18.999 -4.050 2.671 268 HG13 VAL 31 HG13 VAL 31 -20.465 -3.300 2.041 269 HG21 VAL 31 HG21 VAL 31 -17.576 -2.468 1.473 270 HG22 VAL 31 HG22 VAL 31 -17.763 -0.730 1.706 271 HG23 VAL 31 HG23 VAL 31 -18.968 -1.631 0.787 272 H GLY 32 H GLY 32 -19.497 0.086 5.450 273 HA2 GLY 32 HA3 GLY 32 -21.154 -1.598 7.034 274 HA3 GLY 32 HA2 GLY 32 -20.285 -0.176 7.590 275 H GLU 33 H GLU 33 -21.248 1.928 7.096 276 HA GLU 33 HA GLU 33 -22.939 3.386 7.473 277 HB2 GLU 33 HB3 GLU 33 -24.075 1.605 5.326 278 HB3 GLU 33 HB2 GLU 33 -24.947 3.022 5.898 279 HG2 GLU 33 HG3 GLU 33 -22.156 3.078 4.771 280 HG3 GLU 33 HG2 GLU 33 -23.617 3.399 3.839 281 H1 GLY 1 H1 GLY 1 19.788 4.327 6.004 282 H2 GLY 1 H2 GLY 1 20.417 3.997 4.470 283 H3 GLY 1 H3 GLY 1 21.374 3.768 5.844 284 HA2 GLY 1 HA2 GLY 1 19.948 1.995 6.604 285 HA3 GLY 1 HA3 GLY 1 18.917 2.246 5.200 286 H SER 2 H SER 2 20.618 -0.062 6.167 287 HA SER 2 HA SER 2 22.705 -0.362 4.236 288 HB2 SER 2 HB3 SER 2 21.345 -2.465 5.941 289 HB3 SER 2 HB2 SER 2 22.890 -2.639 5.109 290 HG SER 2 HG SER 2 23.457 -0.658 6.417 291 H MET 3 H MET 3 22.733 -2.089 2.564 292 HA MET 3 HA MET 3 20.659 -1.613 0.750 293 HB2 MET 3 HB3 MET 3 22.788 -3.748 0.786 294 HB3 MET 3 HB2 MET 3 21.667 -3.538 -0.551 295 HG2 MET 3 HG3 MET 3 22.491 -1.255 -0.871 296 HG3 MET 3 HG2 MET 3 23.628 -1.490 0.454 297 HE1 MET 3 HE1 MET 3 25.875 -1.459 -2.787 298 HE2 MET 3 HE2 MET 3 25.549 -0.678 -1.239 299 HE3 MET 3 HE3 MET 3 24.381 -0.553 -2.555 300 H LYS 4 H LYS 4 21.399 -4.738 2.359 301 HA LYS 4 HA LYS 4 19.016 -5.941 1.467 302 HB2 LYS 4 HB3 LYS 4 19.648 -7.820 2.630 303 HB3 LYS 4 HB2 LYS 4 21.192 -7.012 2.446 304 HG2 LYS 4 HG3 LYS 4 19.474 -6.911 4.916 305 HG3 LYS 4 HG2 LYS 4 20.843 -7.990 4.677 306 HD2 LYS 4 HD3 LYS 4 22.285 -5.970 4.383 307 HD3 LYS 4 HD2 LYS 4 20.892 -4.981 4.832 308 HE2 LYS 4 HE3 LYS 4 22.281 -7.055 6.524 309 HE3 LYS 4 HE2 LYS 4 22.264 -5.311 6.777 310 HZ1 LYS 4 HZ1 LYS 4 19.891 -5.427 7.205 311 HZ2 LYS 4 HZ2 LYS 4 20.726 -6.451 8.253 312 HZ3 LYS 4 HZ3 LYS 4 19.892 -7.094 6.933 313 H GLN 5 H GLN 5 19.648 -3.823 4.098 314 HA GLN 5 HA GLN 5 17.430 -4.475 5.736 315 HB2 GLN 5 HB3 GLN 5 19.296 -3.254 6.656 316 HB3 GLN 5 HB2 GLN 5 19.092 -1.969 5.477 317 HG2 GLN 5 HG3 GLN 5 16.919 -1.419 6.481 318 HG3 GLN 5 HG2 GLN 5 17.186 -2.671 7.696 319 HE21 GLN 5 HE21 GLN 5 18.729 -2.353 9.285 320 HE22 GLN 5 HE22 GLN 5 19.398 -0.793 9.622 321 H LEU 6 H LEU 6 18.014 -1.947 3.321 322 HA LEU 6 HA LEU 6 15.370 -0.894 3.444 323 HB2 LEU 6 HB3 LEU 6 17.529 -0.624 1.351 324 HB3 LEU 6 HB2 LEU 6 16.017 0.261 1.321 325 HG LEU 6 HG LEU 6 18.039 0.469 3.558 326 HD11 LEU 6 HD11 LEU 6 17.569 2.293 1.208 327 HD12 LEU 6 HD12 LEU 6 19.005 1.313 1.502 328 HD13 LEU 6 HD13 LEU 6 18.608 2.643 2.589 329 HD21 LEU 6 HD21 LEU 6 15.605 2.108 2.870 330 HD22 LEU 6 HD22 LEU 6 16.753 2.468 4.158 331 HD23 LEU 6 HD23 LEU 6 15.771 1.007 4.237 332 H GLU 7 H GLU 7 17.011 -3.277 1.467 333 HA GLU 7 HA GLU 7 15.093 -3.727 -0.480 334 HB2 GLU 7 HB3 GLU 7 17.398 -4.681 -0.423 335 HB3 GLU 7 HB2 GLU 7 16.879 -5.778 0.845 336 HG2 GLU 7 HG3 GLU 7 15.217 -6.732 -0.723 337 HG3 GLU 7 HG2 GLU 7 15.903 -5.699 -1.998 338 H ASP 8 H ASP 8 15.413 -5.167 2.755 339 HA ASP 8 HA ASP 8 13.234 -6.921 2.621 340 HB2 ASP 8 HB3 ASP 8 14.728 -5.617 4.847 341 HB3 ASP 8 HB2 ASP 8 13.184 -6.372 5.225 342 H LYS 9 H LYS 9 13.405 -3.543 3.605 343 HA LYS 9 HA LYS 9 10.702 -3.221 4.382 344 HB2 LYS 9 HB3 LYS 9 12.156 -1.000 2.973 345 HB3 LYS 9 HB2 LYS 9 10.974 -0.899 4.263 346 HG2 LYS 9 HG3 LYS 9 13.818 -1.842 4.555 347 HG3 LYS 9 HG2 LYS 9 13.151 -0.309 5.114 348 HD2 LYS 9 HD3 LYS 9 12.498 -3.077 6.133 349 HD3 LYS 9 HD2 LYS 9 13.321 -1.781 6.994 350 HE2 LYS 9 HE3 LYS 9 11.329 -0.472 7.088 351 HE3 LYS 9 HE2 LYS 9 10.486 -1.572 6.000 352 HZ1 LYS 9 HZ1 LYS 9 9.823 -1.944 8.274 353 HZ2 LYS 9 HZ2 LYS 9 11.422 -2.217 8.737 354 HZ3 LYS 9 HZ3 LYS 9 10.650 -3.303 7.687 355 H VAL 10 H VAL 10 12.263 -2.819 1.257 356 HA VAL 10 HA VAL 10 10.115 -1.839 -0.243 357 HB VAL 10 HB VAL 10 12.310 -3.717 -1.159 358 HG11 VAL 10 HG11 VAL 10 10.441 -3.633 -2.732 359 HG12 VAL 10 HG12 VAL 10 11.869 -2.840 -3.395 360 HG13 VAL 10 HG13 VAL 10 10.538 -1.874 -2.761 361 HG21 VAL 10 HG21 VAL 10 12.158 -0.707 -1.113 362 HG22 VAL 10 HG22 VAL 10 13.406 -1.635 -1.944 363 HG23 VAL 10 HG23 VAL 10 13.258 -1.728 -0.189 364 H GLU 11 H GLU 11 11.057 -5.011 0.780 365 HA GLU 11 HA GLU 11 9.009 -6.430 -0.650 366 HB2 GLU 11 HB3 GLU 11 10.719 -7.273 1.691 367 HB3 GLU 11 HB2 GLU 11 9.638 -8.345 0.814 368 HG2 GLU 11 HG3 GLU 11 12.031 -6.913 -0.316 369 HG3 GLU 11 HG2 GLU 11 11.920 -8.630 0.071 370 H GLU 12 H GLU 12 9.399 -5.546 2.807 371 HA GLU 12 HA GLU 12 7.035 -6.649 3.770 372 HB2 GLU 12 HB3 GLU 12 8.415 -4.119 4.681 373 HB3 GLU 12 HB2 GLU 12 7.197 -4.990 5.597 374 HG2 GLU 12 HG3 GLU 12 8.696 -6.937 5.693 375 HG3 GLU 12 HG2 GLU 12 9.926 -6.004 4.837 376 H LEU 13 H LEU 13 7.543 -3.234 2.992 377 HA LEU 13 HA LEU 13 4.948 -2.348 3.256 378 HB2 LEU 13 HB3 LEU 13 7.109 -1.353 1.407 379 HB3 LEU 13 HB2 LEU 13 5.626 -0.483 1.752 380 HG LEU 13 HG LEU 13 7.713 -1.215 3.808 381 HD11 LEU 13 HD11 LEU 13 8.577 0.431 2.259 382 HD12 LEU 13 HD12 LEU 13 8.222 1.189 3.810 383 HD13 LEU 13 HD13 LEU 13 7.123 1.408 2.449 384 HD21 LEU 13 HD21 LEU 13 6.461 0.336 5.247 385 HD22 LEU 13 HD22 LEU 13 5.491 -1.055 4.767 386 HD23 LEU 13 HD23 LEU 13 5.242 0.505 3.985 387 H LEU 14 H LEU 14 6.470 -3.758 0.378 388 HA LEU 14 HA LEU 14 4.278 -3.273 -1.333 389 HB2 LEU 14 HB3 LEU 14 6.516 -3.768 -2.190 390 HB3 LEU 14 HB2 LEU 14 6.432 -5.385 -1.530 391 HG LEU 14 HG LEU 14 4.532 -5.870 -3.061 392 HD11 LEU 14 HD11 LEU 14 4.176 -4.337 -4.966 393 HD12 LEU 14 HD12 LEU 14 5.193 -3.143 -4.161 394 HD13 LEU 14 HD13 LEU 14 3.674 -3.651 -3.424 395 HD21 LEU 14 HD21 LEU 14 5.895 -6.053 -5.077 396 HD22 LEU 14 HD22 LEU 14 6.815 -6.504 -3.642 397 HD23 LEU 14 HD23 LEU 14 7.067 -4.928 -4.392 398 H SER 15 H SER 15 5.186 -6.061 0.693 399 HA SER 15 HA SER 15 3.054 -7.734 -0.030 400 HB2 SER 15 HB3 SER 15 5.026 -8.436 1.321 401 HB3 SER 15 HB2 SER 15 4.394 -7.513 2.680 402 HG SER 15 HG SER 15 3.565 -9.944 1.629 403 H LYS 16 H LYS 16 3.317 -5.234 2.467 404 HA LYS 16 HA LYS 16 0.691 -5.529 3.483 405 HB2 LYS 16 HB3 LYS 16 2.477 -4.367 4.718 406 HB3 LYS 16 HB2 LYS 16 2.494 -3.097 3.501 407 HG2 LYS 16 HG3 LYS 16 0.134 -2.583 4.084 408 HG3 LYS 16 HG2 LYS 16 0.244 -3.763 5.391 409 HD2 LYS 16 HD3 LYS 16 1.994 -2.486 6.456 410 HD3 LYS 16 HD2 LYS 16 2.048 -1.359 5.100 411 HE2 LYS 16 HE3 LYS 16 0.824 -0.373 6.941 412 HE3 LYS 16 HE2 LYS 16 -0.269 -0.687 5.594 413 HZ1 LYS 16 HZ1 LYS 16 -1.015 -2.692 6.728 414 HZ2 LYS 16 HZ2 LYS 16 -1.259 -1.329 7.693 415 HZ3 LYS 16 HZ3 LYS 16 0.028 -2.375 8.020 416 H ASN 17 H ASN 17 2.094 -3.417 1.001 417 HA ASN 17 HA ASN 17 -0.110 -1.846 0.408 418 HB2 ASN 17 HB3 ASN 17 2.195 -1.543 -0.513 419 HB3 ASN 17 HB2 ASN 17 1.916 -2.920 -1.569 420 HD21 ASN 17 HD21 ASN 17 1.202 0.450 -1.013 421 HD22 ASN 17 HD22 ASN 17 0.393 0.713 -2.510 422 H TYR 18 H TYR 18 0.716 -5.057 -0.797 423 HA TYR 18 HA TYR 18 -1.356 -5.301 -2.685 424 HB2 TYR 18 HB3 TYR 18 0.193 -7.371 -1.133 425 HB3 TYR 18 HB2 TYR 18 -1.074 -7.823 -2.265 426 HD1 TYR 18 HD1 TYR 18 -0.597 -5.883 -4.458 427 HD2 TYR 18 HD2 TYR 18 2.165 -8.156 -2.138 428 HE1 TYR 18 HE1 TYR 18 1.016 -5.804 -6.302 429 HE2 TYR 18 HE2 TYR 18 3.782 -8.063 -3.982 430 HH TYR 18 HH TYR 18 3.394 -5.991 -6.670 431 H HIS 19 H HIS 19 -1.235 -5.976 0.766 432 HA HIS 19 HA HIS 19 -3.670 -7.269 1.121 433 HB2 HIS 19 HB3 HIS 19 -2.038 -6.986 2.938 434 HB3 HIS 19 HB2 HIS 19 -2.342 -5.250 2.953 435 HD1 HIS 19 HD1 HIS 19 -3.786 -8.509 4.081 436 HD2 HIS 19 HD2 HIS 19 -4.748 -4.469 4.173 437 HE1 HIS 19 HE1 HIS 19 -5.710 -8.305 5.688 438 HE2 HIS 19 HE2 HIS 19 -6.422 -5.892 5.522 439 H LEU 20 H LEU 20 -2.975 -3.788 1.188 440 HA LEU 20 HA LEU 20 -5.661 -3.064 1.730 441 HB2 LEU 20 HB3 LEU 20 -3.333 -1.450 0.708 442 HB3 LEU 20 HB2 LEU 20 -4.910 -0.773 1.026 443 HG LEU 20 HG LEU 20 -3.455 -0.269 2.852 444 HD11 LEU 20 HD11 LEU 20 -5.790 -0.679 3.357 445 HD12 LEU 20 HD12 LEU 20 -4.749 -1.146 4.701 446 HD13 LEU 20 HD13 LEU 20 -5.437 -2.380 3.646 447 HD21 LEU 20 HD21 LEU 20 -1.859 -2.077 2.645 448 HD22 LEU 20 HD22 LEU 20 -3.077 -3.223 3.205 449 HD23 LEU 20 HD23 LEU 20 -2.491 -1.958 4.286 450 H GLU 21 H GLU 21 -3.747 -3.262 -1.253 451 HA GLU 21 HA GLU 21 -5.578 -2.115 -3.012 452 HB2 GLU 21 HB3 GLU 21 -3.686 -4.422 -3.495 453 HB3 GLU 21 HB2 GLU 21 -4.570 -3.596 -4.764 454 HG2 GLU 21 HG3 GLU 21 -3.397 -1.490 -4.093 455 HG3 GLU 21 HG2 GLU 21 -2.406 -2.468 -3.010 456 H ASN 22 H ASN 22 -5.368 -5.430 -1.830 457 HA ASN 22 HA ASN 22 -7.417 -6.497 -3.442 458 HB2 ASN 22 HB3 ASN 22 -6.409 -7.387 -0.736 459 HB3 ASN 22 HB2 ASN 22 -7.515 -8.319 -1.736 460 HD21 ASN 22 HD21 ASN 22 -6.188 -7.558 -4.232 461 HD22 ASN 22 HD22 ASN 22 -4.707 -8.447 -4.268 462 H GLU 23 H GLU 23 -7.477 -5.111 -0.171 463 HA GLU 23 HA GLU 23 -10.242 -5.635 0.221 464 HB2 GLU 23 HB3 GLU 23 -8.448 -3.653 1.631 465 HB3 GLU 23 HB2 GLU 23 -10.066 -4.103 2.153 466 HG2 GLU 23 HG3 GLU 23 -9.100 -6.520 2.121 467 HG3 GLU 23 HG2 GLU 23 -7.546 -5.693 2.208 468 H VAL 24 H VAL 24 -8.442 -2.777 -0.894 469 HA VAL 24 HA VAL 24 -10.532 -0.968 -1.086 470 HB VAL 24 HB VAL 24 -8.143 -1.314 -2.903 471 HG11 VAL 24 HG11 VAL 24 -10.119 0.970 -2.853 472 HG12 VAL 24 HG12 VAL 24 -9.933 -0.202 -4.157 473 HG13 VAL 24 HG13 VAL 24 -8.622 0.918 -3.784 474 HG21 VAL 24 HG21 VAL 24 -7.558 -0.662 -0.671 475 HG22 VAL 24 HG22 VAL 24 -8.799 0.590 -0.664 476 HG23 VAL 24 HG23 VAL 24 -7.396 0.746 -1.720 477 H ALA 25 H ALA 25 -9.398 -3.292 -3.534 478 HA ALA 25 HA ALA 25 -11.314 -2.760 -5.499 479 HB1 ALA 25 HB1 ALA 25 -10.694 -4.910 -6.456 480 HB2 ALA 25 HB2 ALA 25 -9.886 -5.355 -4.954 481 HB3 ALA 25 HB3 ALA 25 -9.271 -4.017 -5.924 482 H ARG 26 H ARG 26 -11.398 -5.111 -2.839 483 HA ARG 26 HA ARG 26 -13.812 -6.357 -3.574 484 HB2 ARG 26 HB3 ARG 26 -12.247 -7.339 -1.959 485 HB3 ARG 26 HB2 ARG 26 -12.577 -6.030 -0.834 486 HG2 ARG 26 HG3 ARG 26 -14.946 -6.761 -0.759 487 HG3 ARG 26 HG2 ARG 26 -14.508 -8.143 -1.765 488 HD2 ARG 26 HD2 ARG 26 -12.918 -8.874 -0.049 489 HD3 ARG 26 HD1 ARG 26 -13.373 -7.499 0.954 490 HE ARG 26 HE ARG 26 -15.611 -9.132 0.213 491 HH11 ARG 26 HH11 ARG 26 -12.985 -8.762 2.497 492 HH12 ARG 26 HH12 ARG 26 -13.765 -9.684 3.741 493 HH21 ARG 26 HH21 ARG 26 -16.650 -10.336 1.849 494 HH22 ARG 26 HH22 ARG 26 -15.855 -10.576 3.370 495 H LEU 27 H LEU 27 -13.139 -3.821 -1.176 496 HA LEU 27 HA LEU 27 -15.798 -3.376 -0.415 497 HB2 LEU 27 HB3 LEU 27 -13.467 -1.453 -0.392 498 HB3 LEU 27 HB2 LEU 27 -14.975 -1.226 0.475 499 HG LEU 27 HG LEU 27 -13.046 -3.487 0.961 500 HD11 LEU 27 HD11 LEU 27 -13.507 -0.962 2.532 501 HD12 LEU 27 HD12 LEU 27 -12.074 -1.349 1.580 502 HD13 LEU 27 HD13 LEU 27 -12.465 -2.303 3.010 503 HD21 LEU 27 HD21 LEU 27 -15.504 -2.588 2.456 504 HD22 LEU 27 HD22 LEU 27 -14.373 -3.825 3.007 505 HD23 LEU 27 HD23 LEU 27 -15.317 -4.085 1.541 506 H LYS 28 H LYS 28 -14.048 -2.322 -3.215 507 HA LYS 28 HA LYS 28 -15.621 -0.052 -3.845 508 HB2 LYS 28 HB3 LYS 28 -13.306 -1.109 -4.827 509 HB3 LYS 28 HB2 LYS 28 -14.438 -1.579 -6.086 510 HG2 LYS 28 HG3 LYS 28 -13.474 0.489 -6.729 511 HG3 LYS 28 HG2 LYS 28 -15.135 0.822 -6.235 512 HD2 LYS 28 HD3 LYS 28 -14.372 1.604 -4.070 513 HD3 LYS 28 HD2 LYS 28 -12.696 1.179 -4.485 514 HE2 LYS 28 HE3 LYS 28 -12.989 3.548 -4.757 515 HE3 LYS 28 HE2 LYS 28 -12.809 2.812 -6.350 516 HZ1 LYS 28 HZ1 LYS 28 -15.211 2.910 -6.628 517 HZ2 LYS 28 HZ2 LYS 28 -14.579 4.451 -6.335 518 HZ3 LYS 28 HZ3 LYS 28 -15.380 3.621 -5.104 519 H LYS 29 H LYS 29 -15.648 -3.426 -4.995 520 HA LYS 29 HA LYS 29 -17.952 -3.263 -6.576 521 HB2 LYS 29 HB3 LYS 29 -17.004 -5.649 -4.969 522 HB3 LYS 29 HB2 LYS 29 -18.047 -5.691 -6.380 523 HG2 LYS 29 HG3 LYS 29 -16.243 -4.990 -7.808 524 HG3 LYS 29 HG2 LYS 29 -15.194 -4.723 -6.413 525 HD2 LYS 29 HD3 LYS 29 -15.276 -7.110 -5.900 526 HD3 LYS 29 HD2 LYS 29 -16.348 -7.376 -7.275 527 HE2 LYS 29 HE3 LYS 29 -14.087 -7.978 -7.876 528 HE3 LYS 29 HE2 LYS 29 -14.582 -6.548 -8.778 529 HZ1 LYS 29 HZ1 LYS 29 -13.354 -5.178 -7.212 530 HZ2 LYS 29 HZ2 LYS 29 -12.338 -6.324 -7.929 531 HZ3 LYS 29 HZ3 LYS 29 -12.884 -6.554 -6.346 532 H LEU 30 H LEU 30 -17.556 -3.595 -3.113 533 HA LEU 30 HA LEU 30 -20.224 -4.467 -2.595 534 HB2 LEU 30 HB3 LEU 30 -18.190 -3.256 -0.728 535 HB3 LEU 30 HB2 LEU 30 -19.679 -4.041 -0.236 536 HG LEU 30 HG LEU 30 -17.320 -5.349 -1.590 537 HD11 LEU 30 HD11 LEU 30 -18.489 -5.714 1.164 538 HD12 LEU 30 HD12 LEU 30 -17.003 -4.845 0.785 539 HD13 LEU 30 HD13 LEU 30 -17.109 -6.580 0.490 540 HD21 LEU 30 HD21 LEU 30 -18.576 -7.446 -1.281 541 HD22 LEU 30 HD22 LEU 30 -19.355 -6.347 -2.415 542 HD23 LEU 30 HD23 LEU 30 -19.979 -6.506 -0.774 543 H VAL 31 H VAL 31 -18.581 -1.312 -2.155 544 HA VAL 31 HA VAL 31 -20.913 0.107 -1.470 545 HB VAL 31 HB VAL 31 -18.483 1.189 -2.911 546 HG11 VAL 31 HG11 VAL 31 -20.368 2.727 -2.962 547 HG12 VAL 31 HG12 VAL 31 -19.111 3.327 -1.880 548 HG13 VAL 31 HG13 VAL 31 -20.560 2.574 -1.215 549 HG21 VAL 31 HG21 VAL 31 -17.655 1.779 -0.675 550 HG22 VAL 31 HG22 VAL 31 -17.824 0.036 -0.877 551 HG23 VAL 31 HG23 VAL 31 -19.026 0.938 0.045 552 H GLY 32 H GLY 32 -19.600 -0.862 -4.586 553 HA2 GLY 32 HA3 GLY 32 -21.298 0.778 -6.172 554 HA3 GLY 32 HA2 GLY 32 -20.424 -0.646 -6.717 555 H GLU 33 H GLU 33 -21.353 -2.747 -6.176 556 HA GLU 33 HA GLU 33 -23.028 -4.237 -6.491 557 HB2 GLU 33 HB3 GLU 33 -24.160 -2.425 -4.369 558 HB3 GLU 33 HB2 GLU 33 -25.023 -3.863 -4.902 559 HG2 GLU 33 HG3 GLU 33 -22.218 -3.867 -3.808 560 HG3 GLU 33 HG2 GLU 33 -23.664 -4.184 -2.852 Start of MODEL 3 1 H1 GLY 1 H1 GLY 1 19.993 -4.457 -5.755 2 H2 GLY 1 H2 GLY 1 20.313 -4.121 -4.128 3 H3 GLY 1 H3 GLY 1 21.549 -4.006 -5.272 4 HA2 GLY 1 HA2 GLY 1 20.436 -2.164 -6.351 5 HA3 GLY 1 HA3 GLY 1 19.136 -2.288 -5.173 6 H SER 2 H SER 2 20.829 -0.000 -5.694 7 HA SER 2 HA SER 2 22.675 0.171 -3.482 8 HB2 SER 2 HB3 SER 2 23.027 2.482 -4.283 9 HB3 SER 2 HB2 SER 2 23.182 1.310 -5.594 10 HG SER 2 HG SER 2 21.685 2.403 -6.563 11 H MET 3 H MET 3 22.498 2.199 -2.038 12 HA MET 3 HA MET 3 20.226 2.040 -0.446 13 HB2 MET 3 HB3 MET 3 22.193 4.316 -0.746 14 HB3 MET 3 HB2 MET 3 20.968 4.239 0.509 15 HG2 MET 3 HG3 MET 3 22.991 3.531 1.479 16 HG3 MET 3 HG2 MET 3 22.003 2.092 1.262 17 HE1 MET 3 HE1 MET 3 24.255 0.669 1.715 18 HE2 MET 3 HE2 MET 3 25.170 2.171 1.846 19 HE3 MET 3 HE3 MET 3 25.733 0.887 0.777 20 H LYS 4 H LYS 4 21.057 4.426 -2.933 21 HA LYS 4 HA LYS 4 18.781 6.044 -2.625 22 HB2 LYS 4 HB3 LYS 4 20.629 5.617 -4.969 23 HB3 LYS 4 HB2 LYS 4 19.301 6.763 -5.015 24 HG2 LYS 4 HG3 LYS 4 21.259 7.985 -4.511 25 HG3 LYS 4 HG2 LYS 4 20.323 7.888 -3.020 26 HD2 LYS 4 HD3 LYS 4 21.755 6.121 -2.196 27 HD3 LYS 4 HD2 LYS 4 22.636 6.084 -3.726 28 HE2 LYS 4 HE3 LYS 4 23.394 8.372 -3.345 29 HE3 LYS 4 HE2 LYS 4 22.501 8.421 -1.827 30 HZ1 LYS 4 HZ1 LYS 4 24.721 6.543 -2.431 31 HZ2 LYS 4 HZ2 LYS 4 23.902 6.686 -0.958 32 HZ3 LYS 4 HZ3 LYS 4 24.866 7.957 -1.513 33 H GLN 5 H GLN 5 19.430 3.337 -4.822 34 HA GLN 5 HA GLN 5 17.044 3.499 -6.287 35 HB2 GLN 5 HB3 GLN 5 19.000 2.185 -7.004 36 HB3 GLN 5 HB2 GLN 5 18.722 1.058 -5.684 37 HG2 GLN 5 HG3 GLN 5 17.890 0.149 -7.762 38 HG3 GLN 5 HG2 GLN 5 16.556 0.461 -6.651 39 HE21 GLN 5 HE21 GLN 5 15.116 2.141 -7.097 40 HE22 GLN 5 HE22 GLN 5 15.020 2.869 -8.664 41 H LEU 6 H LEU 6 17.868 1.698 -3.365 42 HA LEU 6 HA LEU 6 15.310 0.408 -3.221 43 HB2 LEU 6 HB3 LEU 6 17.466 0.694 -1.125 44 HB3 LEU 6 HB2 LEU 6 16.046 -0.319 -0.971 45 HG LEU 6 HG LEU 6 18.224 -0.682 -3.037 46 HD11 LEU 6 HD11 LEU 6 18.945 -1.205 -0.745 47 HD12 LEU 6 HD12 LEU 6 18.862 -2.632 -1.776 48 HD13 LEU 6 HD13 LEU 6 17.590 -2.325 -0.597 49 HD21 LEU 6 HD21 LEU 6 16.076 -1.430 -3.867 50 HD22 LEU 6 HD22 LEU 6 15.801 -2.350 -2.389 51 HD23 LEU 6 HD23 LEU 6 17.098 -2.814 -3.490 52 H GLU 7 H GLU 7 16.735 3.319 -1.921 53 HA GLU 7 HA GLU 7 14.891 4.005 0.034 54 HB2 GLU 7 HB3 GLU 7 17.089 5.131 -0.543 55 HB3 GLU 7 HB2 GLU 7 16.247 5.921 -1.867 56 HG2 GLU 7 HG3 GLU 7 16.253 7.497 -0.161 57 HG3 GLU 7 HG2 GLU 7 14.631 6.769 -0.105 58 H ASP 8 H ASP 8 14.904 4.711 -3.446 59 HA ASP 8 HA ASP 8 12.566 6.223 -3.601 60 HB2 ASP 8 HB3 ASP 8 13.880 4.393 -5.607 61 HB3 ASP 8 HB2 ASP 8 12.442 5.328 -5.991 62 H LYS 9 H LYS 9 12.996 2.740 -4.005 63 HA LYS 9 HA LYS 9 10.339 1.959 -4.316 64 HB2 LYS 9 HB3 LYS 9 12.172 0.416 -2.494 65 HB3 LYS 9 HB2 LYS 9 10.899 -0.191 -3.544 66 HG2 LYS 9 HG3 LYS 9 12.215 0.425 -5.523 67 HG3 LYS 9 HG2 LYS 9 13.527 0.950 -4.467 68 HD2 LYS 9 HD3 LYS 9 13.868 -1.259 -3.661 69 HD3 LYS 9 HD2 LYS 9 12.381 -1.832 -4.416 70 HE2 LYS 9 HE3 LYS 9 14.797 -0.801 -5.899 71 HE3 LYS 9 HE2 LYS 9 14.407 -2.503 -5.658 72 HZ1 LYS 9 HZ1 LYS 9 13.678 -1.759 -7.825 73 HZ2 LYS 9 HZ2 LYS 9 12.749 -0.529 -7.135 74 HZ3 LYS 9 HZ3 LYS 9 12.333 -2.146 -6.874 75 H VAL 10 H VAL 10 12.120 2.299 -1.278 76 HA VAL 10 HA VAL 10 10.169 1.438 0.502 77 HB VAL 10 HB VAL 10 12.289 3.548 0.952 78 HG11 VAL 10 HG11 VAL 10 12.033 3.033 3.332 79 HG12 VAL 10 HG12 VAL 10 10.704 1.939 2.953 80 HG13 VAL 10 HG13 VAL 10 10.536 3.668 2.649 81 HG21 VAL 10 HG21 VAL 10 13.263 1.455 0.258 82 HG22 VAL 10 HG22 VAL 10 12.285 0.571 1.428 83 HG23 VAL 10 HG23 VAL 10 13.540 1.677 1.985 84 H GLU 11 H GLU 11 10.882 4.640 -0.756 85 HA GLU 11 HA GLU 11 8.783 5.897 0.766 86 HB2 GLU 11 HB3 GLU 11 9.293 7.937 -0.526 87 HB3 GLU 11 HB2 GLU 11 10.710 7.220 0.221 88 HG2 GLU 11 HG3 GLU 11 11.373 6.269 -1.909 89 HG3 GLU 11 HG2 GLU 11 9.926 6.932 -2.668 90 H GLU 12 H GLU 12 9.063 4.904 -2.660 91 HA GLU 12 HA GLU 12 6.652 6.032 -3.545 92 HB2 GLU 12 HB3 GLU 12 8.387 5.143 -5.037 93 HB3 GLU 12 HB2 GLU 12 8.043 3.514 -4.477 94 HG2 GLU 12 HG3 GLU 12 5.818 3.630 -5.439 95 HG3 GLU 12 HG2 GLU 12 6.119 5.289 -5.960 96 H LEU 13 H LEU 13 7.307 2.733 -2.471 97 HA LEU 13 HA LEU 13 4.691 1.776 -2.501 98 HB2 LEU 13 HB3 LEU 13 6.996 0.950 -0.742 99 HB3 LEU 13 HB2 LEU 13 5.526 0.025 -0.974 100 HG LEU 13 HG LEU 13 7.476 0.707 -3.175 101 HD11 LEU 13 HD11 LEU 13 8.089 -1.677 -3.055 102 HD12 LEU 13 HD12 LEU 13 7.106 -1.832 -1.599 103 HD13 LEU 13 HD13 LEU 13 8.522 -0.783 -1.599 104 HD21 LEU 13 HD21 LEU 13 5.212 0.382 -3.985 105 HD22 LEU 13 HD22 LEU 13 5.089 -1.135 -3.096 106 HD23 LEU 13 HD23 LEU 13 6.224 -0.990 -4.438 107 H LEU 14 H LEU 14 6.500 3.260 0.190 108 HA LEU 14 HA LEU 14 4.545 2.854 2.142 109 HB2 LEU 14 HB3 LEU 14 6.837 3.383 2.724 110 HB3 LEU 14 HB2 LEU 14 6.698 4.964 1.989 111 HG LEU 14 HG LEU 14 4.993 5.561 3.705 112 HD11 LEU 14 HD11 LEU 14 4.183 3.361 4.284 113 HD12 LEU 14 HD12 LEU 14 4.845 4.145 5.718 114 HD13 LEU 14 HD13 LEU 14 5.776 2.901 4.886 115 HD21 LEU 14 HD21 LEU 14 6.595 5.826 5.529 116 HD22 LEU 14 HD22 LEU 14 7.326 6.202 3.969 117 HD23 LEU 14 HD23 LEU 14 7.669 4.662 4.756 118 H SER 15 H SER 15 5.116 5.696 0.023 119 HA SER 15 HA SER 15 3.027 7.235 1.109 120 HB2 SER 15 HB3 SER 15 3.084 8.397 -1.168 121 HB3 SER 15 HB2 SER 15 4.588 8.383 -0.249 122 HG SER 15 HG SER 15 5.413 6.864 -1.589 123 H LYS 16 H LYS 16 3.068 4.752 -1.385 124 HA LYS 16 HA LYS 16 0.334 5.059 -2.125 125 HB2 LYS 16 HB3 LYS 16 2.069 3.919 -3.523 126 HB3 LYS 16 HB2 LYS 16 2.056 2.589 -2.376 127 HG2 LYS 16 HG3 LYS 16 0.709 2.052 -4.308 128 HG3 LYS 16 HG2 LYS 16 -0.305 2.191 -2.870 129 HD2 LYS 16 HD3 LYS 16 -1.050 4.378 -3.538 130 HD3 LYS 16 HD2 LYS 16 0.100 4.412 -4.874 131 HE2 LYS 16 HE3 LYS 16 -1.091 2.512 -5.908 132 HE3 LYS 16 HE2 LYS 16 -2.266 2.556 -4.596 133 HZ1 LYS 16 HZ1 LYS 16 -2.853 4.808 -5.256 134 HZ2 LYS 16 HZ2 LYS 16 -3.092 3.718 -6.527 135 HZ3 LYS 16 HZ3 LYS 16 -1.747 4.742 -6.532 136 H ASN 17 H ASN 17 2.064 2.958 0.136 137 HA ASN 17 HA ASN 17 0.031 1.399 1.144 138 HB2 ASN 17 HB3 ASN 17 2.296 1.053 1.872 139 HB3 ASN 17 HB2 ASN 17 2.397 2.680 2.523 140 HD21 ASN 17 HD21 ASN 17 1.237 -0.564 3.098 141 HD22 ASN 17 HD22 ASN 17 0.810 -0.316 4.750 142 H TYR 18 H TYR 18 0.896 4.700 2.058 143 HA TYR 18 HA TYR 18 -0.992 4.993 4.134 144 HB2 TYR 18 HB3 TYR 18 0.319 7.049 2.348 145 HB3 TYR 18 HB2 TYR 18 -0.767 7.482 3.660 146 HD1 TYR 18 HD1 TYR 18 0.100 5.556 5.758 147 HD2 TYR 18 HD2 TYR 18 2.384 7.911 3.033 148 HE1 TYR 18 HE1 TYR 18 1.990 5.534 7.320 149 HE2 TYR 18 HE2 TYR 18 4.278 7.878 4.591 150 HH TYR 18 HH TYR 18 4.423 5.794 7.274 151 H HIS 19 H HIS 19 -1.136 5.809 0.698 152 HA HIS 19 HA HIS 19 -3.703 6.952 0.728 153 HB2 HIS 19 HB3 HIS 19 -2.114 5.672 -1.495 154 HB3 HIS 19 HB2 HIS 19 -3.671 6.448 -1.756 155 HD1 HIS 19 HD1 HIS 19 -0.369 7.216 -2.337 156 HD2 HIS 19 HD2 HIS 19 -3.371 9.232 -0.293 157 HE1 HIS 19 HE1 HIS 19 0.352 9.619 -2.275 158 HE2 HIS 19 HE2 HIS 19 -1.390 10.781 -0.881 159 H LEU 20 H LEU 20 -2.669 3.641 -0.111 160 HA LEU 20 HA LEU 20 -5.215 2.660 -0.751 161 HB2 LEU 20 HB3 LEU 20 -2.857 1.162 0.382 162 HB3 LEU 20 HB2 LEU 20 -4.276 0.425 -0.328 163 HG LEU 20 HG LEU 20 -2.379 2.227 -1.824 164 HD11 LEU 20 HD11 LEU 20 -1.609 0.184 -2.915 165 HD12 LEU 20 HD12 LEU 20 -2.644 -0.776 -1.857 166 HD13 LEU 20 HD13 LEU 20 -1.297 0.139 -1.180 167 HD21 LEU 20 HD21 LEU 20 -4.596 2.293 -2.754 168 HD22 LEU 20 HD22 LEU 20 -4.715 0.534 -2.696 169 HD23 LEU 20 HD23 LEU 20 -3.571 1.305 -3.793 170 H GLU 21 H GLU 21 -3.470 2.694 2.331 171 HA GLU 21 HA GLU 21 -5.338 1.227 3.826 172 HB2 GLU 21 HB3 GLU 21 -2.914 2.562 4.306 173 HB3 GLU 21 HB2 GLU 21 -4.076 3.309 5.392 174 HG2 GLU 21 HG3 GLU 21 -3.387 0.379 5.228 175 HG3 GLU 21 HG2 GLU 21 -2.942 1.506 6.506 176 H ASN 22 H ASN 22 -5.152 4.647 3.020 177 HA ASN 22 HA ASN 22 -7.315 5.431 4.709 178 HB2 ASN 22 HB3 ASN 22 -5.996 6.794 2.359 179 HB3 ASN 22 HB2 ASN 22 -7.290 7.528 3.299 180 HD21 ASN 22 HD21 ASN 22 -6.359 6.370 5.815 181 HD22 ASN 22 HD22 ASN 22 -4.952 7.270 6.257 182 H GLU 23 H GLU 23 -7.028 4.664 1.249 183 HA GLU 23 HA GLU 23 -9.688 5.051 0.510 184 HB2 GLU 23 HB3 GLU 23 -7.427 3.464 -0.516 185 HB3 GLU 23 HB2 GLU 23 -9.010 2.842 -0.951 186 HG2 GLU 23 HG3 GLU 23 -8.455 4.218 -2.724 187 HG3 GLU 23 HG2 GLU 23 -9.522 5.217 -1.744 188 H VAL 24 H VAL 24 -8.121 2.122 1.762 189 HA VAL 24 HA VAL 24 -10.282 0.393 1.758 190 HB VAL 24 HB VAL 24 -8.019 0.529 3.767 191 HG11 VAL 24 HG11 VAL 24 -9.968 -1.705 3.213 192 HG12 VAL 24 HG12 VAL 24 -9.874 -0.742 4.687 193 HG13 VAL 24 HG13 VAL 24 -8.549 -1.821 4.253 194 HG21 VAL 24 HG21 VAL 24 -8.376 -1.141 1.284 195 HG22 VAL 24 HG22 VAL 24 -7.045 -1.281 2.432 196 HG23 VAL 24 HG23 VAL 24 -7.246 0.197 1.492 197 H ALA 25 H ALA 25 -9.195 2.588 4.329 198 HA ALA 25 HA ALA 25 -10.994 1.848 6.315 199 HB1 ALA 25 HB1 ALA 25 -9.783 4.568 5.866 200 HB2 ALA 25 HB2 ALA 25 -9.013 3.225 6.710 201 HB3 ALA 25 HB3 ALA 25 -10.468 3.967 7.375 202 H ARG 26 H ARG 26 -11.315 4.417 3.871 203 HA ARG 26 HA ARG 26 -13.779 5.403 4.856 204 HB2 ARG 26 HB3 ARG 26 -12.752 5.565 2.023 205 HB3 ARG 26 HB2 ARG 26 -13.953 6.610 2.770 206 HG2 ARG 26 HG3 ARG 26 -12.260 7.479 4.289 207 HG3 ARG 26 HG2 ARG 26 -11.055 6.418 3.551 208 HD2 ARG 26 HD2 ARG 26 -11.710 7.547 1.347 209 HD3 ARG 26 HD1 ARG 26 -12.477 8.771 2.355 210 HE ARG 26 HE ARG 26 -10.295 9.237 3.302 211 HH11 ARG 26 HH11 ARG 26 -10.376 7.320 0.379 212 HH12 ARG 26 HH12 ARG 26 -8.745 7.704 -0.086 213 HH21 ARG 26 HH21 ARG 26 -8.157 9.772 2.689 214 HH22 ARG 26 HH22 ARG 26 -7.500 9.130 1.218 215 H LEU 27 H LEU 27 -12.954 3.124 2.275 216 HA LEU 27 HA LEU 27 -15.582 2.676 1.390 217 HB2 LEU 27 HB3 LEU 27 -13.218 0.800 1.303 218 HB3 LEU 27 HB2 LEU 27 -14.697 0.611 0.380 219 HG LEU 27 HG LEU 27 -12.763 2.903 0.097 220 HD11 LEU 27 HD11 LEU 27 -13.260 0.527 -1.684 221 HD12 LEU 27 HD12 LEU 27 -11.820 0.811 -0.707 222 HD13 LEU 27 HD13 LEU 27 -12.200 1.889 -2.048 223 HD21 LEU 27 HD21 LEU 27 -15.037 3.570 -0.426 224 HD22 LEU 27 HD22 LEU 27 -15.225 2.168 -1.482 225 HD23 LEU 27 HD23 LEU 27 -14.084 3.445 -1.903 226 H LYS 28 H LYS 28 -13.818 1.364 4.118 227 HA LYS 28 HA LYS 28 -15.524 -0.829 4.620 228 HB2 LYS 28 HB3 LYS 28 -13.655 0.737 6.395 229 HB3 LYS 28 HB2 LYS 28 -14.622 -0.591 7.014 230 HG2 LYS 28 HG3 LYS 28 -13.523 -2.108 5.405 231 HG3 LYS 28 HG2 LYS 28 -12.525 -0.758 4.857 232 HD2 LYS 28 HD3 LYS 28 -11.460 -0.569 6.971 233 HD3 LYS 28 HD2 LYS 28 -12.633 -1.667 7.731 234 HE2 LYS 28 HE3 LYS 28 -11.790 -3.485 6.276 235 HE3 LYS 28 HE2 LYS 28 -10.571 -2.385 5.642 236 HZ1 LYS 28 HZ1 LYS 28 -10.838 -3.224 8.476 237 HZ2 LYS 28 HZ2 LYS 28 -9.668 -2.165 7.873 238 HZ3 LYS 28 HZ3 LYS 28 -9.673 -3.783 7.385 239 H LYS 29 H LYS 29 -15.495 2.515 5.837 240 HA LYS 29 HA LYS 29 -17.666 2.389 7.539 241 HB2 LYS 29 HB3 LYS 29 -16.272 4.364 7.379 242 HB3 LYS 29 HB2 LYS 29 -16.762 4.627 5.713 243 HG2 LYS 29 HG3 LYS 29 -19.071 5.048 6.511 244 HG3 LYS 29 HG2 LYS 29 -18.488 4.909 8.170 245 HD2 LYS 29 HD3 LYS 29 -16.944 6.768 7.781 246 HD3 LYS 29 HD2 LYS 29 -17.543 6.916 6.128 247 HE2 LYS 29 HE3 LYS 29 -18.591 8.570 7.571 248 HE3 LYS 29 HE2 LYS 29 -19.783 7.410 6.990 249 HZ1 LYS 29 HZ1 LYS 29 -18.500 7.381 9.669 250 HZ2 LYS 29 HZ2 LYS 29 -19.635 6.259 9.114 251 HZ3 LYS 29 HZ3 LYS 29 -20.083 7.872 9.337 252 H LEU 30 H LEU 30 -17.617 2.611 4.028 253 HA LEU 30 HA LEU 30 -20.438 3.095 3.803 254 HB2 LEU 30 HB3 LEU 30 -18.230 2.585 1.868 255 HB3 LEU 30 HB2 LEU 30 -19.886 2.398 1.331 256 HG LEU 30 HG LEU 30 -19.045 4.593 0.742 257 HD11 LEU 30 HD11 LEU 30 -21.059 4.776 2.974 258 HD12 LEU 30 HD12 LEU 30 -21.417 4.351 1.302 259 HD13 LEU 30 HD13 LEU 30 -20.804 5.957 1.690 260 HD21 LEU 30 HD21 LEU 30 -17.364 4.853 2.484 261 HD22 LEU 30 HD22 LEU 30 -18.633 5.013 3.698 262 HD23 LEU 30 HD23 LEU 30 -18.454 6.240 2.445 263 H VAL 31 H VAL 31 -18.369 0.277 3.053 264 HA VAL 31 HA VAL 31 -20.483 -1.468 2.435 265 HB VAL 31 HB VAL 31 -17.779 -2.203 3.576 266 HG11 VAL 31 HG11 VAL 31 -19.352 -4.058 3.629 267 HG12 VAL 31 HG12 VAL 31 -18.109 -4.333 2.409 268 HG13 VAL 31 HG13 VAL 31 -19.722 -3.812 1.922 269 HG21 VAL 31 HG21 VAL 31 -17.096 -2.472 1.220 270 HG22 VAL 31 HG22 VAL 31 -17.491 -0.804 1.634 271 HG23 VAL 31 HG23 VAL 31 -18.639 -1.782 0.719 272 H GLY 32 H GLY 32 -19.082 -0.529 5.514 273 HA2 GLY 32 HA3 GLY 32 -20.166 -2.664 7.037 274 HA3 GLY 32 HA2 GLY 32 -19.543 -1.150 7.668 275 H GLU 33 H GLU 33 -21.495 0.346 5.910 276 HA GLU 33 HA GLU 33 -24.000 -0.330 7.254 277 HB2 GLU 33 HB3 GLU 33 -22.672 1.381 8.596 278 HB3 GLU 33 HB2 GLU 33 -22.946 2.492 7.265 279 HG2 GLU 33 HG3 GLU 33 -24.571 2.923 8.950 280 HG3 GLU 33 HG2 GLU 33 -25.386 2.178 7.575 281 H1 GLY 1 H1 GLY 1 20.018 4.201 6.123 282 H2 GLY 1 H2 GLY 1 20.320 3.866 4.496 283 H3 GLY 1 H3 GLY 1 21.572 3.768 5.626 284 HA2 GLY 1 HA2 GLY 1 20.493 1.916 6.723 285 HA3 GLY 1 HA3 GLY 1 19.178 2.020 5.560 286 H SER 2 H SER 2 20.897 -0.251 6.070 287 HA SER 2 HA SER 2 22.718 -0.406 3.835 288 HB2 SER 2 HB3 SER 2 23.099 -2.717 4.630 289 HB3 SER 2 HB2 SER 2 23.261 -1.542 5.936 290 HG SER 2 HG SER 2 21.783 -2.638 6.936 291 H MET 3 H MET 3 22.544 -2.425 2.383 292 HA MET 3 HA MET 3 20.255 -2.295 0.820 293 HB2 MET 3 HB3 MET 3 22.244 -4.553 1.098 294 HB3 MET 3 HB2 MET 3 21.002 -4.489 -0.142 295 HG2 MET 3 HG3 MET 3 23.007 -3.765 -1.139 296 HG3 MET 3 HG2 MET 3 22.011 -2.330 -0.909 297 HE1 MET 3 HE1 MET 3 24.237 -0.886 -1.382 298 HE2 MET 3 HE2 MET 3 25.168 -2.376 -1.532 299 HE3 MET 3 HE3 MET 3 25.730 -1.089 -0.466 300 H LYS 4 H LYS 4 21.134 -4.672 3.295 301 HA LYS 4 HA LYS 4 18.872 -6.311 3.010 302 HB2 LYS 4 HB3 LYS 4 20.744 -5.872 5.331 303 HB3 LYS 4 HB2 LYS 4 19.429 -7.032 5.391 304 HG2 LYS 4 HG3 LYS 4 21.392 -8.231 4.865 305 HG3 LYS 4 HG2 LYS 4 20.439 -8.143 3.385 306 HD2 LYS 4 HD3 LYS 4 21.842 -6.362 2.546 307 HD3 LYS 4 HD2 LYS 4 22.740 -6.317 4.064 308 HE2 LYS 4 HE3 LYS 4 23.519 -8.598 3.675 309 HE3 LYS 4 HE2 LYS 4 22.605 -8.658 2.169 310 HZ1 LYS 4 HZ1 LYS 4 24.808 -6.753 2.739 311 HZ2 LYS 4 HZ2 LYS 4 23.975 -6.911 1.274 312 HZ3 LYS 4 HZ3 LYS 4 24.964 -8.168 1.824 313 H GLN 5 H GLN 5 19.524 -3.604 5.205 314 HA GLN 5 HA GLN 5 17.158 -3.793 6.700 315 HB2 GLN 5 HB3 GLN 5 19.109 -2.460 7.393 316 HB3 GLN 5 HB2 GLN 5 18.801 -1.333 6.079 317 HG2 GLN 5 HG3 GLN 5 17.990 -0.436 8.170 318 HG3 GLN 5 HG2 GLN 5 16.645 -0.757 7.076 319 HE21 GLN 5 HE21 GLN 5 15.231 -2.458 7.532 320 HE22 GLN 5 HE22 GLN 5 15.155 -3.182 9.102 321 H LEU 6 H LEU 6 17.926 -1.979 3.768 322 HA LEU 6 HA LEU 6 15.355 -0.714 3.660 323 HB2 LEU 6 HB3 LEU 6 17.486 -0.974 1.536 324 HB3 LEU 6 HB2 LEU 6 16.054 0.024 1.401 325 HG LEU 6 HG LEU 6 18.254 0.407 3.440 326 HD11 LEU 6 HD11 LEU 6 18.941 0.933 1.137 327 HD12 LEU 6 HD12 LEU 6 18.862 2.359 2.167 328 HD13 LEU 6 HD13 LEU 6 17.575 2.043 1.006 329 HD21 LEU 6 HD21 LEU 6 16.110 1.135 4.297 330 HD22 LEU 6 HD22 LEU 6 15.807 2.054 2.823 331 HD23 LEU 6 HD23 LEU 6 17.113 2.531 3.908 332 H GLU 7 H GLU 7 16.793 -3.607 2.342 333 HA GLU 7 HA GLU 7 14.933 -4.313 0.409 334 HB2 GLU 7 HB3 GLU 7 17.148 -5.418 0.958 335 HB3 GLU 7 HB2 GLU 7 16.332 -6.213 2.294 336 HG2 GLU 7 HG3 GLU 7 16.326 -7.794 0.594 337 HG3 GLU 7 HG2 GLU 7 14.700 -7.079 0.555 338 H ASP 8 H ASP 8 14.996 -5.026 3.889 339 HA ASP 8 HA ASP 8 12.672 -6.557 4.069 340 HB2 ASP 8 HB3 ASP 8 13.988 -4.714 6.063 341 HB3 ASP 8 HB2 ASP 8 12.571 -5.677 6.464 342 H LYS 9 H LYS 9 13.081 -3.075 4.458 343 HA LYS 9 HA LYS 9 10.423 -2.318 4.815 344 HB2 LYS 9 HB3 LYS 9 12.213 -0.752 2.973 345 HB3 LYS 9 HB2 LYS 9 10.948 -0.160 4.041 346 HG2 LYS 9 HG3 LYS 9 12.295 -0.765 6.003 347 HG3 LYS 9 HG2 LYS 9 13.598 -1.276 4.928 348 HD2 LYS 9 HD3 LYS 9 13.903 0.937 4.113 349 HD3 LYS 9 HD2 LYS 9 12.421 1.493 4.892 350 HE2 LYS 9 HE3 LYS 9 14.868 0.490 6.340 351 HE3 LYS 9 HE2 LYS 9 14.461 2.188 6.096 352 HZ1 LYS 9 HZ1 LYS 9 13.770 1.449 8.274 353 HZ2 LYS 9 HZ2 LYS 9 12.837 0.210 7.603 354 HZ3 LYS 9 HZ3 LYS 9 12.411 1.825 7.341 355 H VAL 10 H VAL 10 12.162 -2.637 1.755 356 HA VAL 10 HA VAL 10 10.179 -1.792 -0.000 357 HB VAL 10 HB VAL 10 12.313 -3.882 -0.478 358 HG11 VAL 10 HG11 VAL 10 12.024 -3.369 -2.853 359 HG12 VAL 10 HG12 VAL 10 10.689 -2.288 -2.460 360 HG13 VAL 10 HG13 VAL 10 10.541 -4.018 -2.153 361 HG21 VAL 10 HG21 VAL 10 13.276 -1.781 0.204 362 HG22 VAL 10 HG22 VAL 10 12.274 -0.907 -0.952 363 HG23 VAL 10 HG23 VAL 10 13.532 -1.998 -1.527 364 H GLU 11 H GLU 11 10.933 -4.987 1.252 365 HA GLU 11 HA GLU 11 8.829 -6.261 -0.246 366 HB2 GLU 11 HB3 GLU 11 9.376 -8.299 1.033 367 HB3 GLU 11 HB2 GLU 11 10.776 -7.568 0.268 368 HG2 GLU 11 HG3 GLU 11 11.456 -6.610 2.391 369 HG3 GLU 11 HG2 GLU 11 10.032 -7.299 3.168 370 H GLU 12 H GLU 12 9.148 -5.271 3.179 371 HA GLU 12 HA GLU 12 6.759 -6.419 4.096 372 HB2 GLU 12 HB3 GLU 12 8.505 -5.513 5.563 373 HB3 GLU 12 HB2 GLU 12 8.138 -3.888 5.006 374 HG2 GLU 12 HG3 GLU 12 5.921 -4.037 5.989 375 HG3 GLU 12 HG2 GLU 12 6.260 -5.682 6.524 376 H LEU 13 H LEU 13 7.369 -3.117 3.006 377 HA LEU 13 HA LEU 13 4.743 -2.185 3.070 378 HB2 LEU 13 HB3 LEU 13 7.018 -1.336 1.283 379 HB3 LEU 13 HB2 LEU 13 5.540 -0.424 1.532 380 HG LEU 13 HG LEU 13 7.523 -1.090 3.709 381 HD11 LEU 13 HD11 LEU 13 8.112 1.301 3.587 382 HD12 LEU 13 HD12 LEU 13 7.109 1.449 2.143 383 HD13 LEU 13 HD13 LEU 13 8.537 0.416 2.123 384 HD21 LEU 13 HD21 LEU 13 5.268 -0.785 4.550 385 HD22 LEU 13 HD22 LEU 13 5.118 0.731 3.661 386 HD23 LEU 13 HD23 LEU 13 6.274 0.596 4.987 387 H LEU 14 H LEU 14 6.531 -3.651 0.354 388 HA LEU 14 HA LEU 14 4.547 -3.266 -1.572 389 HB2 LEU 14 HB3 LEU 14 6.840 -3.771 -2.179 390 HB3 LEU 14 HB2 LEU 14 6.723 -5.355 -1.446 391 HG LEU 14 HG LEU 14 5.007 -5.965 -3.145 392 HD11 LEU 14 HD11 LEU 14 4.165 -3.771 -3.706 393 HD12 LEU 14 HD12 LEU 14 4.815 -4.544 -5.150 394 HD13 LEU 14 HD13 LEU 14 5.745 -3.293 -4.327 395 HD21 LEU 14 HD21 LEU 14 6.589 -6.210 -4.991 396 HD22 LEU 14 HD22 LEU 14 7.345 -6.579 -3.442 397 HD23 LEU 14 HD23 LEU 14 7.662 -5.034 -4.232 398 H SER 15 H SER 15 5.179 -6.099 0.539 399 HA SER 15 HA SER 15 3.091 -7.661 -0.516 400 HB2 SER 15 HB3 SER 15 3.189 -8.816 1.765 401 HB3 SER 15 HB2 SER 15 4.679 -8.794 0.825 402 HG SER 15 HG SER 15 5.510 -7.256 2.144 403 H LYS 16 H LYS 16 3.134 -5.172 1.971 404 HA LYS 16 HA LYS 16 0.411 -5.506 2.743 405 HB2 LYS 16 HB3 LYS 16 2.154 -4.347 4.119 406 HB3 LYS 16 HB2 LYS 16 2.110 -3.016 2.976 407 HG2 LYS 16 HG3 LYS 16 0.785 -2.498 4.926 408 HG3 LYS 16 HG2 LYS 16 -0.248 -2.648 3.503 409 HD2 LYS 16 HD3 LYS 16 -0.958 -4.846 4.182 410 HD3 LYS 16 HD2 LYS 16 0.209 -4.864 5.504 411 HE2 LYS 16 HE3 LYS 16 -0.994 -2.977 6.549 412 HE3 LYS 16 HE2 LYS 16 -2.182 -3.035 5.251 413 HZ1 LYS 16 HZ1 LYS 16 -2.749 -5.285 5.924 414 HZ2 LYS 16 HZ2 LYS 16 -2.969 -4.195 7.198 415 HZ3 LYS 16 HZ3 LYS 16 -1.622 -5.215 7.184 416 H ASN 17 H ASN 17 2.094 -3.390 0.462 417 HA ASN 17 HA ASN 17 0.031 -1.849 -0.516 418 HB2 ASN 17 HB3 ASN 17 2.282 -1.479 -1.274 419 HB3 ASN 17 HB2 ASN 17 2.391 -3.106 -1.925 420 HD21 ASN 17 HD21 ASN 17 1.195 0.127 -2.489 421 HD22 ASN 17 HD22 ASN 17 0.760 -0.126 -4.140 422 H TYR 18 H TYR 18 0.920 -5.141 -1.443 423 HA TYR 18 HA TYR 18 -0.992 -5.454 -3.494 424 HB2 TYR 18 HB3 TYR 18 0.359 -7.502 -1.729 425 HB3 TYR 18 HB2 TYR 18 -0.739 -7.940 -3.028 426 HD1 TYR 18 HD1 TYR 18 0.084 -6.012 -5.139 427 HD2 TYR 18 HD2 TYR 18 2.428 -8.338 -2.438 428 HE1 TYR 18 HE1 TYR 18 1.956 -5.971 -6.724 429 HE2 TYR 18 HE2 TYR 18 4.300 -8.286 -4.020 430 HH TYR 18 HH TYR 18 4.390 -6.205 -6.709 431 H HIS 19 H HIS 19 -1.083 -6.267 -0.056 432 HA HIS 19 HA HIS 19 -3.636 -7.438 -0.056 433 HB2 HIS 19 HB3 HIS 19 -2.036 -6.144 2.151 434 HB3 HIS 19 HB2 HIS 19 -3.584 -6.935 2.428 435 HD1 HIS 19 HD1 HIS 19 -0.252 -7.670 2.949 436 HD2 HIS 19 HD2 HIS 19 -3.288 -9.720 0.990 437 HE1 HIS 19 HE1 HIS 19 0.478 -10.068 2.894 438 HE2 HIS 19 HE2 HIS 19 -1.281 -11.247 1.534 439 H LEU 20 H LEU 20 -2.628 -4.121 0.777 440 HA LEU 20 HA LEU 20 -5.176 -3.166 1.445 441 HB2 LEU 20 HB3 LEU 20 -2.845 -1.645 0.286 442 HB3 LEU 20 HB2 LEU 20 -4.263 -0.921 1.012 443 HG LEU 20 HG LEU 20 -2.333 -2.707 2.486 444 HD11 LEU 20 HD11 LEU 20 -1.567 -0.655 3.564 445 HD12 LEU 20 HD12 LEU 20 -2.625 0.294 2.520 446 HD13 LEU 20 HD13 LEU 20 -1.279 -0.608 1.825 447 HD21 LEU 20 HD21 LEU 20 -4.541 -2.793 3.440 448 HD22 LEU 20 HD22 LEU 20 -4.676 -1.036 3.386 449 HD23 LEU 20 HD23 LEU 20 -3.514 -1.797 4.470 450 H GLU 21 H GLU 21 -3.469 -3.167 -1.659 451 HA GLU 21 HA GLU 21 -5.375 -1.729 -3.128 452 HB2 GLU 21 HB3 GLU 21 -2.945 -3.041 -3.639 453 HB3 GLU 21 HB2 GLU 21 -4.114 -3.794 -4.711 454 HG2 GLU 21 HG3 GLU 21 -3.456 -0.860 -4.551 455 HG3 GLU 21 HG2 GLU 21 -3.008 -1.980 -5.832 456 H ASN 22 H ASN 22 -5.139 -5.148 -2.327 457 HA ASN 22 HA ASN 22 -7.316 -5.951 -3.989 458 HB2 ASN 22 HB3 ASN 22 -5.953 -7.300 -1.659 459 HB3 ASN 22 HB2 ASN 22 -7.254 -8.047 -2.579 460 HD21 ASN 22 HD21 ASN 22 -6.374 -6.896 -5.113 461 HD22 ASN 22 HD22 ASN 22 -4.959 -7.776 -5.570 462 H GLU 23 H GLU 23 -6.993 -5.173 -0.538 463 HA GLU 23 HA GLU 23 -9.638 -5.600 0.235 464 HB2 GLU 23 HB3 GLU 23 -7.382 -3.994 1.240 465 HB3 GLU 23 HB2 GLU 23 -8.965 -3.384 1.691 466 HG2 GLU 23 HG3 GLU 23 -8.376 -4.757 3.458 467 HG3 GLU 23 HG2 GLU 23 -9.452 -5.761 2.493 468 H VAL 24 H VAL 24 -8.121 -2.651 -1.030 469 HA VAL 24 HA VAL 24 -10.297 -0.945 -0.999 470 HB VAL 24 HB VAL 24 -8.062 -1.062 -3.041 471 HG11 VAL 24 HG11 VAL 24 -10.024 1.154 -2.457 472 HG12 VAL 24 HG12 VAL 24 -9.936 0.192 -3.933 473 HG13 VAL 24 HG13 VAL 24 -8.617 1.285 -3.513 474 HG21 VAL 24 HG21 VAL 24 -8.397 0.605 -0.551 475 HG22 VAL 24 HG22 VAL 24 -7.084 0.759 -1.718 476 HG23 VAL 24 HG23 VAL 24 -7.257 -0.722 -0.775 477 H ALA 25 H ALA 25 -9.217 -3.115 -3.593 478 HA ALA 25 HA ALA 25 -11.055 -2.406 -5.551 479 HB1 ALA 25 HB1 ALA 25 -9.811 -5.112 -5.113 480 HB2 ALA 25 HB2 ALA 25 -9.062 -3.762 -5.964 481 HB3 ALA 25 HB3 ALA 25 -10.517 -4.517 -6.615 482 H ARG 26 H ARG 26 -11.316 -4.972 -3.096 483 HA ARG 26 HA ARG 26 -13.783 -5.992 -4.058 484 HB2 ARG 26 HB3 ARG 26 -12.720 -6.144 -1.236 485 HB3 ARG 26 HB2 ARG 26 -13.918 -7.202 -1.969 486 HG2 ARG 26 HG3 ARG 26 -12.237 -8.050 -3.512 487 HG3 ARG 26 HG2 ARG 26 -11.034 -6.977 -2.788 488 HD2 ARG 26 HD2 ARG 26 -11.644 -8.112 -0.581 489 HD3 ARG 26 HD1 ARG 26 -12.415 -9.343 -1.575 490 HE ARG 26 HE ARG 26 -10.237 -9.792 -2.554 491 HH11 ARG 26 HH11 ARG 26 -10.311 -7.892 0.380 492 HH12 ARG 26 HH12 ARG 26 -8.669 -8.247 0.822 493 HH21 ARG 26 HH21 ARG 26 -8.085 -10.315 -1.958 494 HH22 ARG 26 HH22 ARG 26 -7.419 -9.667 -0.493 495 H LEU 27 H LEU 27 -12.949 -3.702 -1.488 496 HA LEU 27 HA LEU 27 -15.569 -3.279 -0.566 497 HB2 LEU 27 HB3 LEU 27 -13.219 -1.382 -0.507 498 HB3 LEU 27 HB2 LEU 27 -14.688 -1.205 0.434 499 HG LEU 27 HG LEU 27 -12.732 -3.481 0.693 500 HD11 LEU 27 HD11 LEU 27 -13.228 -1.111 2.482 501 HD12 LEU 27 HD12 LEU 27 -11.799 -1.380 1.485 502 HD13 LEU 27 HD13 LEU 27 -12.152 -2.463 2.831 503 HD21 LEU 27 HD21 LEU 27 -14.993 -4.169 1.244 504 HD22 LEU 27 HD22 LEU 27 -15.180 -2.771 2.302 505 HD23 LEU 27 HD23 LEU 27 -14.022 -4.037 2.709 506 H LYS 28 H LYS 28 -13.854 -1.949 -3.317 507 HA LYS 28 HA LYS 28 -15.578 0.234 -3.801 508 HB2 LYS 28 HB3 LYS 28 -13.720 -1.326 -5.590 509 HB3 LYS 28 HB2 LYS 28 -14.702 -0.005 -6.200 510 HG2 LYS 28 HG3 LYS 28 -13.623 1.513 -4.589 511 HG3 LYS 28 HG2 LYS 28 -12.604 0.171 -4.056 512 HD2 LYS 28 HD3 LYS 28 -11.540 0.016 -6.180 513 HD3 LYS 28 HD2 LYS 28 -12.740 1.092 -6.930 514 HE2 LYS 28 HE3 LYS 28 -11.902 2.934 -5.490 515 HE3 LYS 28 HE2 LYS 28 -10.651 1.859 -4.874 516 HZ1 LYS 28 HZ1 LYS 28 -10.988 2.676 -7.705 517 HZ2 LYS 28 HZ2 LYS 28 -9.796 1.631 -7.122 518 HZ3 LYS 28 HZ3 LYS 28 -9.807 3.251 -6.641 519 H LYS 29 H LYS 29 -15.544 -3.115 -5.007 520 HA LYS 29 HA LYS 29 -17.736 -3.010 -6.691 521 HB2 LYS 29 HB3 LYS 29 -16.315 -4.969 -6.551 522 HB3 LYS 29 HB2 LYS 29 -16.783 -5.241 -4.882 523 HG2 LYS 29 HG3 LYS 29 -19.095 -5.686 -5.650 524 HG3 LYS 29 HG2 LYS 29 -18.536 -5.541 -7.317 525 HD2 LYS 29 HD3 LYS 29 -16.967 -7.384 -6.946 526 HD3 LYS 29 HD2 LYS 29 -17.545 -7.538 -5.286 527 HE2 LYS 29 HE3 LYS 29 -18.593 -9.200 -6.716 528 HE3 LYS 29 HE2 LYS 29 -19.787 -8.053 -6.119 529 HZ1 LYS 29 HZ1 LYS 29 -18.542 -8.007 -8.812 530 HZ2 LYS 29 HZ2 LYS 29 -19.681 -6.898 -8.241 531 HZ3 LYS 29 HZ3 LYS 29 -20.115 -8.516 -8.457 532 H LEU 30 H LEU 30 -17.639 -3.228 -3.177 533 HA LEU 30 HA LEU 30 -20.454 -3.747 -2.921 534 HB2 LEU 30 HB3 LEU 30 -18.226 -3.213 -1.008 535 HB3 LEU 30 HB2 LEU 30 -19.879 -3.045 -0.453 536 HG LEU 30 HG LEU 30 -19.004 -5.232 0.125 537 HD11 LEU 30 HD11 LEU 30 -21.043 -5.439 -2.081 538 HD12 LEU 30 HD12 LEU 30 -21.384 -5.018 -0.404 539 HD13 LEU 30 HD13 LEU 30 -20.757 -6.617 -0.802 540 HD21 LEU 30 HD21 LEU 30 -17.341 -5.474 -1.638 541 HD22 LEU 30 HD22 LEU 30 -18.624 -5.649 -2.835 542 HD23 LEU 30 HD23 LEU 30 -18.415 -6.872 -1.582 543 H VAL 31 H VAL 31 -18.401 -0.910 -2.191 544 HA VAL 31 HA VAL 31 -20.522 0.817 -1.545 545 HB VAL 31 HB VAL 31 -17.841 1.576 -2.720 546 HG11 VAL 31 HG11 VAL 31 -19.433 3.416 -2.751 547 HG12 VAL 31 HG12 VAL 31 -18.178 3.703 -1.545 548 HG13 VAL 31 HG13 VAL 31 -19.780 3.164 -1.041 549 HG21 VAL 31 HG21 VAL 31 -17.129 1.850 -0.372 550 HG22 VAL 31 HG22 VAL 31 -17.515 0.179 -0.782 551 HG23 VAL 31 HG23 VAL 31 -18.660 1.146 0.148 552 H GLY 32 H GLY 32 -19.148 -0.102 -4.646 553 HA2 GLY 32 HA3 GLY 32 -20.273 2.025 -6.149 554 HA3 GLY 32 HA2 GLY 32 -19.647 0.518 -6.792 555 H GLU 33 H GLU 33 -21.551 -1.012 -5.024 556 HA GLU 33 HA GLU 33 -24.087 -0.348 -6.322 557 HB2 GLU 33 HB3 GLU 33 -22.760 -2.053 -7.678 558 HB3 GLU 33 HB2 GLU 33 -23.003 -3.163 -6.338 559 HG2 GLU 33 HG3 GLU 33 -24.648 -3.612 -7.999 560 HG3 GLU 33 HG2 GLU 33 -25.451 -2.874 -6.614 Start of MODEL 4 1 H1 GLY 1 H1 GLY 1 25.505 2.755 -2.182 2 H2 GLY 1 H2 GLY 1 27.012 2.019 -2.383 3 H3 GLY 1 H3 GLY 1 25.778 1.200 -1.574 4 HA2 GLY 1 HA2 GLY 1 25.800 1.937 -4.441 5 HA3 GLY 1 HA3 GLY 1 26.035 0.321 -3.790 6 H SER 2 H SER 2 23.912 2.056 -5.375 7 HA SER 2 HA SER 2 21.683 2.128 -5.703 8 HB2 SER 2 HB3 SER 2 20.568 -0.180 -5.434 9 HB3 SER 2 HB2 SER 2 21.895 -0.009 -6.577 10 HG SER 2 HG SER 2 21.741 -1.445 -4.217 11 H MET 3 H MET 3 22.455 2.951 -2.990 12 HA MET 3 HA MET 3 20.417 2.016 -1.219 13 HB2 MET 3 HB3 MET 3 22.240 4.414 -1.138 14 HB3 MET 3 HB2 MET 3 21.030 4.111 0.099 15 HG2 MET 3 HG3 MET 3 22.091 1.960 0.594 16 HG3 MET 3 HG2 MET 3 23.321 2.302 -0.623 17 HE1 MET 3 HE1 MET 3 25.160 2.678 2.862 18 HE2 MET 3 HE2 MET 3 25.099 1.774 1.351 19 HE3 MET 3 HE3 MET 3 23.808 1.594 2.537 20 H LYS 4 H LYS 4 20.839 4.877 -3.247 21 HA LYS 4 HA LYS 4 18.448 6.169 -2.555 22 HB2 LYS 4 HB3 LYS 4 20.005 6.283 -5.141 23 HB3 LYS 4 HB2 LYS 4 18.727 7.402 -4.688 24 HG2 LYS 4 HG3 LYS 4 20.052 8.079 -2.727 25 HG3 LYS 4 HG2 LYS 4 21.344 7.007 -3.259 26 HD2 LYS 4 HD3 LYS 4 20.264 9.289 -4.908 27 HD3 LYS 4 HD2 LYS 4 21.660 9.422 -3.844 28 HE2 LYS 4 HE3 LYS 4 22.675 9.006 -5.861 29 HE3 LYS 4 HE2 LYS 4 22.534 7.378 -5.207 30 HZ1 LYS 4 HZ1 LYS 4 21.859 7.473 -7.522 31 HZ2 LYS 4 HZ2 LYS 4 20.674 8.619 -7.158 32 HZ3 LYS 4 HZ3 LYS 4 20.550 7.052 -6.542 33 H GLN 5 H GLN 5 19.164 3.702 -4.977 34 HA GLN 5 HA GLN 5 16.654 3.735 -6.255 35 HB2 GLN 5 HB3 GLN 5 18.779 1.622 -5.992 36 HB3 GLN 5 HB2 GLN 5 17.278 1.317 -6.853 37 HG2 GLN 5 HG3 GLN 5 17.786 3.242 -8.324 38 HG3 GLN 5 HG2 GLN 5 19.338 3.407 -7.507 39 HE21 GLN 5 HE21 GLN 5 20.962 1.950 -7.934 40 HE22 GLN 5 HE22 GLN 5 20.873 0.782 -9.206 41 H LEU 6 H LEU 6 17.856 1.965 -3.447 42 HA LEU 6 HA LEU 6 15.501 0.365 -3.199 43 HB2 LEU 6 HB3 LEU 6 17.719 0.900 -1.221 44 HB3 LEU 6 HB2 LEU 6 16.414 -0.234 -0.957 45 HG LEU 6 HG LEU 6 18.442 -0.437 -3.183 46 HD11 LEU 6 HD11 LEU 6 19.386 -2.274 -1.911 47 HD12 LEU 6 HD12 LEU 6 18.213 -2.008 -0.623 48 HD13 LEU 6 HD13 LEU 6 19.436 -0.784 -0.967 49 HD21 LEU 6 HD21 LEU 6 17.516 -2.712 -3.437 50 HD22 LEU 6 HD22 LEU 6 16.339 -1.452 -3.799 51 HD23 LEU 6 HD23 LEU 6 16.265 -2.310 -2.259 52 H GLU 7 H GLU 7 16.640 3.334 -1.583 53 HA GLU 7 HA GLU 7 14.455 3.340 0.250 54 HB2 GLU 7 HB3 GLU 7 15.205 5.582 0.881 55 HB3 GLU 7 HB2 GLU 7 16.528 4.429 0.852 56 HG2 GLU 7 HG3 GLU 7 17.249 5.295 -1.306 57 HG3 GLU 7 HG2 GLU 7 15.906 6.460 -1.279 58 H ASP 8 H ASP 8 14.880 4.521 -2.993 59 HA ASP 8 HA ASP 8 12.672 6.288 -3.071 60 HB2 ASP 8 HB3 ASP 8 14.407 4.993 -5.029 61 HB3 ASP 8 HB2 ASP 8 12.749 5.154 -5.595 62 H LYS 9 H LYS 9 12.959 2.851 -3.829 63 HA LYS 9 HA LYS 9 10.273 2.256 -4.342 64 HB2 LYS 9 HB3 LYS 9 11.920 0.388 -2.654 65 HB3 LYS 9 HB2 LYS 9 10.713 0.005 -3.873 66 HG2 LYS 9 HG3 LYS 9 12.195 0.720 -5.651 67 HG3 LYS 9 HG2 LYS 9 13.419 1.183 -4.467 68 HD2 LYS 9 HD3 LYS 9 13.595 -1.136 -3.729 69 HD3 LYS 9 HD2 LYS 9 12.346 -1.607 -4.884 70 HE2 LYS 9 HE3 LYS 9 14.995 -0.364 -5.615 71 HE3 LYS 9 HE2 LYS 9 14.643 -2.089 -5.674 72 HZ1 LYS 9 HZ1 LYS 9 12.940 -1.667 -7.318 73 HZ2 LYS 9 HZ2 LYS 9 14.417 -1.029 -7.845 74 HZ3 LYS 9 HZ3 LYS 9 13.224 -0.000 -7.237 75 H VAL 10 H VAL 10 11.980 2.235 -1.263 76 HA VAL 10 HA VAL 10 9.953 1.441 0.467 77 HB VAL 10 HB VAL 10 12.155 3.445 1.027 78 HG11 VAL 10 HG11 VAL 10 10.500 1.777 2.918 79 HG12 VAL 10 HG12 VAL 10 10.408 3.526 2.717 80 HG13 VAL 10 HG13 VAL 10 11.870 2.789 3.373 81 HG21 VAL 10 HG21 VAL 10 13.066 1.351 0.216 82 HG22 VAL 10 HG22 VAL 10 12.087 0.450 1.373 83 HG23 VAL 10 HG23 VAL 10 13.374 1.510 1.944 84 H GLU 11 H GLU 11 10.858 4.553 -0.802 85 HA GLU 11 HA GLU 11 8.929 6.092 0.628 86 HB2 GLU 11 HB3 GLU 11 10.972 7.077 -0.317 87 HB3 GLU 11 HB2 GLU 11 10.387 6.739 -1.941 88 HG2 GLU 11 HG3 GLU 11 8.483 8.241 -1.545 89 HG3 GLU 11 HG2 GLU 11 9.131 8.612 0.052 90 H GLU 12 H GLU 12 9.023 4.932 -2.764 91 HA GLU 12 HA GLU 12 6.571 6.056 -3.552 92 HB2 GLU 12 HB3 GLU 12 8.292 5.160 -5.097 93 HB3 GLU 12 HB2 GLU 12 7.878 3.531 -4.583 94 HG2 GLU 12 HG3 GLU 12 6.837 3.983 -6.691 95 HG3 GLU 12 HG2 GLU 12 5.594 3.871 -5.446 96 H LEU 13 H LEU 13 7.256 2.693 -2.697 97 HA LEU 13 HA LEU 13 4.711 1.663 -2.696 98 HB2 LEU 13 HB3 LEU 13 7.011 0.954 -0.881 99 HB3 LEU 13 HB2 LEU 13 5.566 -0.020 -1.077 100 HG LEU 13 HG LEU 13 7.518 0.629 -3.287 101 HD11 LEU 13 HD11 LEU 13 8.143 -1.748 -3.096 102 HD12 LEU 13 HD12 LEU 13 7.144 -1.869 -1.648 103 HD13 LEU 13 HD13 LEU 13 8.555 -0.813 -1.660 104 HD21 LEU 13 HD21 LEU 13 6.295 -1.122 -4.515 105 HD22 LEU 13 HD22 LEU 13 5.275 0.263 -4.129 106 HD23 LEU 13 HD23 LEU 13 5.137 -1.221 -3.188 107 H LEU 14 H LEU 14 6.348 3.276 0.029 108 HA LEU 14 HA LEU 14 4.261 2.849 1.873 109 HB2 LEU 14 HB3 LEU 14 6.498 3.392 2.628 110 HB3 LEU 14 HB2 LEU 14 6.429 4.953 1.841 111 HG LEU 14 HG LEU 14 4.606 5.615 3.396 112 HD11 LEU 14 HD11 LEU 14 3.709 3.441 3.953 113 HD12 LEU 14 HD12 LEU 14 4.257 4.251 5.420 114 HD13 LEU 14 HD13 LEU 14 5.235 2.971 4.701 115 HD21 LEU 14 HD21 LEU 14 7.170 4.702 4.691 116 HD22 LEU 14 HD22 LEU 14 6.050 5.891 5.354 117 HD23 LEU 14 HD23 LEU 14 6.914 6.232 3.855 118 H SER 15 H SER 15 5.013 5.592 -0.280 119 HA SER 15 HA SER 15 2.923 7.268 0.509 120 HB2 SER 15 HB3 SER 15 4.018 6.945 -2.295 121 HB3 SER 15 HB2 SER 15 3.216 8.370 -1.632 122 HG SER 15 HG SER 15 5.772 7.323 -1.033 123 H LYS 16 H LYS 16 3.003 4.698 -1.938 124 HA LYS 16 HA LYS 16 0.291 4.996 -2.733 125 HB2 LYS 16 HB3 LYS 16 2.042 3.888 -4.114 126 HB3 LYS 16 HB2 LYS 16 2.077 2.561 -2.962 127 HG2 LYS 16 HG3 LYS 16 -0.296 2.103 -3.475 128 HG3 LYS 16 HG2 LYS 16 -0.246 3.373 -4.697 129 HD2 LYS 16 HD3 LYS 16 1.534 2.158 -5.872 130 HD3 LYS 16 HD2 LYS 16 1.448 0.878 -4.661 131 HE2 LYS 16 HE3 LYS 16 0.204 0.236 -6.639 132 HE3 LYS 16 HE2 LYS 16 -0.893 0.470 -5.282 133 HZ1 LYS 16 HZ1 LYS 16 -1.773 1.460 -7.291 134 HZ2 LYS 16 HZ2 LYS 16 -0.395 2.422 -7.463 135 HZ3 LYS 16 HZ3 LYS 16 -1.435 2.663 -6.153 136 H ASN 17 H ASN 17 1.951 2.885 -0.439 137 HA ASN 17 HA ASN 17 -0.133 1.253 0.390 138 HB2 ASN 17 HB3 ASN 17 2.264 1.037 1.067 139 HB3 ASN 17 HB2 ASN 17 2.065 2.435 2.110 140 HD21 ASN 17 HD21 ASN 17 1.423 -0.964 1.731 141 HD22 ASN 17 HD22 ASN 17 0.801 -1.210 3.319 142 H TYR 18 H TYR 18 0.879 4.385 1.732 143 HA TYR 18 HA TYR 18 -1.034 4.711 3.681 144 HB2 TYR 18 HB3 TYR 18 1.010 6.187 2.797 145 HB3 TYR 18 HB2 TYR 18 -0.305 7.077 2.036 146 HD1 TYR 18 HD1 TYR 18 1.034 5.907 5.256 147 HD2 TYR 18 HD2 TYR 18 -1.711 8.508 3.314 148 HE1 TYR 18 HE1 TYR 18 0.627 7.048 7.378 149 HE2 TYR 18 HE2 TYR 18 -2.127 9.664 5.442 150 HH TYR 18 HH TYR 18 -1.953 9.192 7.858 151 H HIS 19 H HIS 19 -1.221 5.583 0.248 152 HA HIS 19 HA HIS 19 -3.755 6.815 0.368 153 HB2 HIS 19 HB3 HIS 19 -2.388 5.485 -1.981 154 HB3 HIS 19 HB2 HIS 19 -3.796 6.533 -2.091 155 HD1 HIS 19 HD1 HIS 19 -1.039 7.124 -3.468 156 HD2 HIS 19 HD2 HIS 19 -2.338 8.744 0.126 157 HE1 HIS 19 HE1 HIS 19 0.271 9.242 -3.173 158 HE2 HIS 19 HE2 HIS 19 -0.391 10.095 -0.903 159 H LEU 20 H LEU 20 -2.769 3.504 -0.407 160 HA LEU 20 HA LEU 20 -5.347 2.556 -1.030 161 HB2 LEU 20 HB3 LEU 20 -2.977 1.020 0.031 162 HB3 LEU 20 HB2 LEU 20 -4.421 0.308 -0.654 163 HG LEU 20 HG LEU 20 -2.469 2.055 -2.154 164 HD11 LEU 20 HD11 LEU 20 -2.972 -0.907 -2.241 165 HD12 LEU 20 HD12 LEU 20 -1.516 -0.102 -1.653 166 HD13 LEU 20 HD13 LEU 20 -1.944 -0.016 -3.363 167 HD21 LEU 20 HD21 LEU 20 -4.909 0.562 -3.103 168 HD22 LEU 20 HD22 LEU 20 -3.753 1.407 -4.133 169 HD23 LEU 20 HD23 LEU 20 -4.741 2.313 -2.988 170 H GLU 21 H GLU 21 -3.513 2.608 2.011 171 HA GLU 21 HA GLU 21 -5.356 1.099 3.494 172 HB2 GLU 21 HB3 GLU 21 -2.931 1.933 4.105 173 HB3 GLU 21 HB2 GLU 21 -3.795 3.291 4.812 174 HG2 GLU 21 HG3 GLU 21 -5.154 1.599 6.099 175 HG3 GLU 21 HG2 GLU 21 -4.003 0.384 5.544 176 H ASN 22 H ASN 22 -5.151 4.539 2.805 177 HA ASN 22 HA ASN 22 -7.193 5.437 4.507 178 HB2 ASN 22 HB3 ASN 22 -6.291 6.511 1.828 179 HB3 ASN 22 HB2 ASN 22 -7.429 7.338 2.883 180 HD21 ASN 22 HD21 ASN 22 -4.902 8.285 1.952 181 HD22 ASN 22 HD22 ASN 22 -3.929 8.572 3.353 182 H GLU 23 H GLU 23 -7.306 4.304 1.145 183 HA GLU 23 HA GLU 23 -10.096 4.681 0.855 184 HB2 GLU 23 HB3 GLU 23 -8.180 2.916 -0.672 185 HB3 GLU 23 HB2 GLU 23 -9.865 3.153 -1.118 186 HG2 GLU 23 HG3 GLU 23 -9.339 5.632 -1.205 187 HG3 GLU 23 HG2 GLU 23 -7.642 5.167 -1.111 188 H VAL 24 H VAL 24 -8.128 1.887 1.809 189 HA VAL 24 HA VAL 24 -10.097 -0.063 1.951 190 HB VAL 24 HB VAL 24 -7.808 0.348 3.886 191 HG11 VAL 24 HG11 VAL 24 -9.492 -2.099 3.370 192 HG12 VAL 24 HG12 VAL 24 -9.492 -1.122 4.839 193 HG13 VAL 24 HG13 VAL 24 -8.054 -2.040 4.390 194 HG21 VAL 24 HG21 VAL 24 -8.032 -1.326 1.392 195 HG22 VAL 24 HG22 VAL 24 -6.677 -1.361 2.520 196 HG23 VAL 24 HG23 VAL 24 -7.029 0.109 1.611 197 H ALA 25 H ALA 25 -9.044 2.166 4.520 198 HA ALA 25 HA ALA 25 -10.915 1.410 6.457 199 HB1 ALA 25 HB1 ALA 25 -10.365 3.492 7.571 200 HB2 ALA 25 HB2 ALA 25 -9.623 4.106 6.095 201 HB3 ALA 25 HB3 ALA 25 -8.909 2.730 6.935 202 H ARG 26 H ARG 26 -11.050 4.112 4.133 203 HA ARG 26 HA ARG 26 -13.487 5.184 4.970 204 HB2 ARG 26 HB3 ARG 26 -11.942 6.347 3.454 205 HB3 ARG 26 HB2 ARG 26 -12.296 5.177 2.191 206 HG2 ARG 26 HG3 ARG 26 -14.622 5.919 2.144 207 HG3 ARG 26 HG2 ARG 26 -14.274 7.089 3.417 208 HD2 ARG 26 HD2 ARG 26 -12.653 8.193 1.950 209 HD3 ARG 26 HD1 ARG 26 -13.014 7.026 0.679 210 HE ARG 26 HE ARG 26 -15.392 8.298 1.521 211 HH11 ARG 26 HH11 ARG 26 -12.470 8.924 -0.297 212 HH12 ARG 26 HH12 ARG 26 -13.202 10.136 -1.299 213 HH21 ARG 26 HH21 ARG 26 -16.358 9.887 0.205 214 HH22 ARG 26 HH22 ARG 26 -15.415 10.690 -1.009 215 H LEU 27 H LEU 27 -12.872 2.966 2.246 216 HA LEU 27 HA LEU 27 -15.548 2.628 1.508 217 HB2 LEU 27 HB3 LEU 27 -13.213 0.744 1.188 218 HB3 LEU 27 HB2 LEU 27 -14.755 0.563 0.377 219 HG LEU 27 HG LEU 27 -12.922 2.926 0.030 220 HD11 LEU 27 HD11 LEU 27 -13.361 0.539 -1.750 221 HD12 LEU 27 HD12 LEU 27 -11.889 0.923 -0.858 222 HD13 LEU 27 HD13 LEU 27 -12.425 1.974 -2.168 223 HD21 LEU 27 HD21 LEU 27 -14.356 3.440 -1.882 224 HD22 LEU 27 HD22 LEU 27 -15.266 3.448 -0.373 225 HD23 LEU 27 HD23 LEU 27 -15.390 2.074 -1.471 226 H LYS 28 H LYS 28 -13.717 1.167 4.068 227 HA LYS 28 HA LYS 28 -15.380 -1.131 4.382 228 HB2 LYS 28 HB3 LYS 28 -12.970 -0.963 5.067 229 HB3 LYS 28 HB2 LYS 28 -13.478 0.081 6.383 230 HG2 LYS 28 HG3 LYS 28 -14.625 -1.654 7.467 231 HG3 LYS 28 HG2 LYS 28 -14.580 -2.686 6.037 232 HD2 LYS 28 HD3 LYS 28 -12.142 -1.807 7.592 233 HD3 LYS 28 HD2 LYS 28 -12.973 -3.364 7.814 234 HE2 LYS 28 HE3 LYS 28 -12.545 -3.872 5.424 235 HE3 LYS 28 HE2 LYS 28 -11.636 -2.369 5.291 236 HZ1 LYS 28 HZ1 LYS 28 -10.959 -4.634 7.085 237 HZ2 LYS 28 HZ2 LYS 28 -10.076 -3.200 6.933 238 HZ3 LYS 28 HZ3 LYS 28 -10.182 -4.273 5.622 239 H LYS 29 H LYS 29 -14.986 1.889 6.272 240 HA LYS 29 HA LYS 29 -17.189 1.455 7.962 241 HB2 LYS 29 HB3 LYS 29 -15.703 3.915 7.073 242 HB3 LYS 29 HB2 LYS 29 -17.165 4.082 8.024 243 HG2 LYS 29 HG3 LYS 29 -15.067 4.214 9.332 244 HG3 LYS 29 HG2 LYS 29 -16.161 2.960 9.896 245 HD2 LYS 29 HD3 LYS 29 -14.812 1.296 8.637 246 HD3 LYS 29 HD2 LYS 29 -13.697 2.587 8.189 247 HE2 LYS 29 HE3 LYS 29 -14.332 1.687 10.997 248 HE3 LYS 29 HE2 LYS 29 -12.862 1.313 10.099 249 HZ1 LYS 29 HZ1 LYS 29 -13.757 4.034 10.884 250 HZ2 LYS 29 HZ2 LYS 29 -12.336 3.668 10.045 251 HZ3 LYS 29 HZ3 LYS 29 -12.534 3.145 11.640 252 H LEU 30 H LEU 30 -16.957 2.698 4.704 253 HA LEU 30 HA LEU 30 -19.598 3.753 4.596 254 HB2 LEU 30 HB3 LEU 30 -17.422 3.263 2.666 255 HB3 LEU 30 HB2 LEU 30 -19.039 3.243 1.996 256 HG LEU 30 HG LEU 30 -17.995 5.449 1.786 257 HD11 LEU 30 HD11 LEU 30 -20.295 5.405 3.731 258 HD12 LEU 30 HD12 LEU 30 -20.418 5.296 1.976 259 HD13 LEU 30 HD13 LEU 30 -19.814 6.772 2.727 260 HD21 LEU 30 HD21 LEU 30 -17.987 5.458 4.800 261 HD22 LEU 30 HD22 LEU 30 -17.580 6.822 3.759 262 HD23 LEU 30 HD23 LEU 30 -16.565 5.381 3.761 263 H VAL 31 H VAL 31 -18.228 0.763 3.144 264 HA VAL 31 HA VAL 31 -20.757 -0.200 2.347 265 HB VAL 31 HB VAL 31 -18.538 -0.897 1.392 266 HG11 VAL 31 HG11 VAL 31 -18.451 -2.652 3.839 267 HG12 VAL 31 HG12 VAL 31 -17.320 -1.363 3.424 268 HG13 VAL 31 HG13 VAL 31 -17.405 -2.815 2.428 269 HG21 VAL 31 HG21 VAL 31 -20.569 -2.031 0.782 270 HG22 VAL 31 HG22 VAL 31 -20.465 -3.053 2.215 271 HG23 VAL 31 HG23 VAL 31 -19.260 -3.201 0.937 272 H GLY 32 H GLY 32 -18.957 -0.574 5.353 273 HA2 GLY 32 HA3 GLY 32 -20.412 -0.952 7.317 274 HA3 GLY 32 HA2 GLY 32 -21.194 -2.212 6.370 275 H GLU 33 H GLU 33 -19.545 -2.094 8.959 276 HA GLU 33 HA GLU 33 -18.197 -4.600 8.523 277 HB2 GLU 33 HB3 GLU 33 -16.490 -2.882 7.857 278 HB3 GLU 33 HB2 GLU 33 -16.584 -2.228 9.485 279 HG2 GLU 33 HG3 GLU 33 -14.653 -3.640 9.297 280 HG3 GLU 33 HG2 GLU 33 -15.825 -4.392 10.377 281 H1 GLY 1 H1 GLY 1 25.556 -2.882 2.458 282 H2 GLY 1 H2 GLY 1 27.057 -2.134 2.638 283 H3 GLY 1 H3 GLY 1 25.803 -1.325 1.854 284 HA2 GLY 1 HA2 GLY 1 25.878 -2.072 4.718 285 HA3 GLY 1 HA3 GLY 1 26.080 -0.451 4.071 286 H SER 2 H SER 2 24.012 -2.206 5.693 287 HA SER 2 HA SER 2 21.785 -2.328 6.042 288 HB2 SER 2 HB3 SER 2 20.633 -0.031 5.781 289 HB3 SER 2 HB2 SER 2 21.960 -0.196 6.923 290 HG SER 2 HG SER 2 21.809 1.238 4.549 291 H MET 3 H MET 3 22.529 -3.133 3.310 292 HA MET 3 HA MET 3 20.451 -2.224 1.575 293 HB2 MET 3 HB3 MET 3 22.300 -4.600 1.461 294 HB3 MET 3 HB2 MET 3 21.068 -4.309 0.244 295 HG2 MET 3 HG3 MET 3 22.097 -2.139 -0.256 296 HG3 MET 3 HG2 MET 3 23.356 -2.480 0.930 297 HE1 MET 3 HE1 MET 3 25.142 -2.813 -2.576 298 HE2 MET 3 HE2 MET 3 25.089 -1.926 -1.052 299 HE3 MET 3 HE3 MET 3 23.786 -1.740 -2.226 300 H LYS 4 H LYS 4 20.939 -5.080 3.595 301 HA LYS 4 HA LYS 4 18.557 -6.403 2.935 302 HB2 LYS 4 HB3 LYS 4 20.156 -6.494 5.496 303 HB3 LYS 4 HB2 LYS 4 18.889 -7.634 5.062 304 HG2 LYS 4 HG3 LYS 4 20.193 -8.286 3.078 305 HG3 LYS 4 HG2 LYS 4 21.480 -7.198 3.592 306 HD2 LYS 4 HD3 LYS 4 20.451 -9.496 5.251 307 HD3 LYS 4 HD2 LYS 4 21.838 -9.609 4.170 308 HE2 LYS 4 HE3 LYS 4 22.865 -9.189 6.184 309 HE3 LYS 4 HE2 LYS 4 22.708 -7.561 5.531 310 HZ1 LYS 4 HZ1 LYS 4 22.055 -7.661 7.852 311 HZ2 LYS 4 HZ2 LYS 4 20.871 -8.813 7.501 312 HZ3 LYS 4 HZ3 LYS 4 20.733 -7.249 6.887 313 H GLN 5 H GLN 5 19.275 -3.928 5.351 314 HA GLN 5 HA GLN 5 16.786 -3.999 6.666 315 HB2 GLN 5 HB3 GLN 5 18.878 -1.857 6.373 316 HB3 GLN 5 HB2 GLN 5 17.385 -1.571 7.255 317 HG2 GLN 5 HG3 GLN 5 17.936 -3.483 8.723 318 HG3 GLN 5 HG2 GLN 5 19.478 -3.635 7.881 319 HE21 GLN 5 HE21 GLN 5 21.094 -2.166 8.278 320 HE22 GLN 5 HE22 GLN 5 21.021 -1.008 9.559 321 H LEU 6 H LEU 6 17.921 -2.211 3.840 322 HA LEU 6 HA LEU 6 15.543 -0.643 3.627 323 HB2 LEU 6 HB3 LEU 6 17.738 -1.147 1.616 324 HB3 LEU 6 HB2 LEU 6 16.414 -0.030 1.372 325 HG LEU 6 HG LEU 6 18.472 0.200 3.569 326 HD11 LEU 6 HD11 LEU 6 19.372 2.049 2.281 327 HD12 LEU 6 HD12 LEU 6 18.185 1.767 1.011 328 HD13 LEU 6 HD13 LEU 6 19.429 0.559 1.338 329 HD21 LEU 6 HD21 LEU 6 17.517 2.463 3.835 330 HD22 LEU 6 HD22 LEU 6 16.364 1.186 4.215 331 HD23 LEU 6 HD23 LEU 6 16.256 2.041 2.677 332 H GLU 7 H GLU 7 16.696 -3.594 1.992 333 HA GLU 7 HA GLU 7 14.485 -3.630 0.189 334 HB2 GLU 7 HB3 GLU 7 15.264 -5.854 -0.458 335 HB3 GLU 7 HB2 GLU 7 16.570 -4.682 -0.444 336 HG2 GLU 7 HG3 GLU 7 17.329 -5.543 1.703 337 HG3 GLU 7 HG2 GLU 7 16.005 -6.732 1.690 338 H ASP 8 H ASP 8 14.978 -4.809 3.420 339 HA ASP 8 HA ASP 8 12.796 -6.605 3.526 340 HB2 ASP 8 HB3 ASP 8 14.543 -5.288 5.464 341 HB3 ASP 8 HB2 ASP 8 12.895 -5.478 6.052 342 H LYS 9 H LYS 9 13.047 -3.162 4.281 343 HA LYS 9 HA LYS 9 10.360 -2.607 4.839 344 HB2 LYS 9 HB3 LYS 9 11.955 -0.710 3.131 345 HB3 LYS 9 HB2 LYS 9 10.760 -0.347 4.368 346 HG2 LYS 9 HG3 LYS 9 12.275 -1.041 6.122 347 HG3 LYS 9 HG2 LYS 9 13.490 -1.485 4.922 348 HD2 LYS 9 HD3 LYS 9 13.623 0.836 4.185 349 HD3 LYS 9 HD2 LYS 9 12.382 1.288 5.356 350 HE2 LYS 9 HE3 LYS 9 15.058 0.082 6.047 351 HE3 LYS 9 HE2 LYS 9 14.679 1.801 6.123 352 HZ1 LYS 9 HZ1 LYS 9 13.002 1.330 7.788 353 HZ2 LYS 9 HZ2 LYS 9 14.502 0.738 8.292 354 HZ3 LYS 9 HZ3 LYS 9 13.330 -0.328 7.702 355 H VAL 10 H VAL 10 12.023 -2.557 1.737 356 HA VAL 10 HA VAL 10 9.963 -1.787 0.036 357 HB VAL 10 HB VAL 10 12.185 -3.760 -0.557 358 HG11 VAL 10 HG11 VAL 10 10.478 -2.111 -2.419 359 HG12 VAL 10 HG12 VAL 10 10.413 -3.862 -2.222 360 HG13 VAL 10 HG13 VAL 10 11.855 -3.102 -2.898 361 HG21 VAL 10 HG21 VAL 10 13.077 -1.656 0.242 362 HG22 VAL 10 HG22 VAL 10 12.068 -0.767 -0.898 363 HG23 VAL 10 HG23 VAL 10 13.361 -1.809 -1.492 364 H GLU 11 H GLU 11 10.926 -4.887 1.288 365 HA GLU 11 HA GLU 11 8.998 -6.450 -0.115 366 HB2 GLU 11 HB3 GLU 11 11.062 -7.412 0.798 367 HB3 GLU 11 HB2 GLU 11 10.498 -7.084 2.430 368 HG2 GLU 11 HG3 GLU 11 8.603 -8.606 2.052 369 HG3 GLU 11 HG2 GLU 11 9.241 -8.968 0.450 370 H GLU 12 H GLU 12 9.119 -5.289 3.273 371 HA GLU 12 HA GLU 12 6.696 -6.451 4.092 372 HB2 GLU 12 HB3 GLU 12 8.421 -5.534 5.617 373 HB3 GLU 12 HB2 GLU 12 7.983 -3.909 5.109 374 HG2 GLU 12 HG3 GLU 12 6.970 -4.383 7.227 375 HG3 GLU 12 HG2 GLU 12 5.714 -4.276 5.995 376 H LEU 13 H LEU 13 7.322 -3.075 3.236 377 HA LEU 13 HA LEU 13 4.766 -2.083 3.271 378 HB2 LEU 13 HB3 LEU 13 7.029 -1.345 1.423 379 HB3 LEU 13 HB2 LEU 13 5.574 -0.390 1.639 380 HG LEU 13 HG LEU 13 7.565 -1.013 3.823 381 HD11 LEU 13 HD11 LEU 13 8.155 1.373 3.626 382 HD12 LEU 13 HD12 LEU 13 7.134 1.482 2.192 383 HD13 LEU 13 HD13 LEU 13 8.561 0.445 2.182 384 HD21 LEU 13 HD21 LEU 13 6.337 0.720 5.065 385 HD22 LEU 13 HD22 LEU 13 5.330 -0.679 4.694 386 HD23 LEU 13 HD23 LEU 13 5.159 0.804 3.757 387 H LEU 14 H LEU 14 6.384 -3.667 0.518 388 HA LEU 14 HA LEU 14 4.266 -3.276 -1.296 389 HB2 LEU 14 HB3 LEU 14 6.504 -3.784 -2.079 390 HB3 LEU 14 HB2 LEU 14 6.466 -5.348 -1.294 391 HG LEU 14 HG LEU 14 4.631 -6.032 -2.825 392 HD11 LEU 14 HD11 LEU 14 3.693 -3.873 -3.362 393 HD12 LEU 14 HD12 LEU 14 4.235 -4.669 -4.840 394 HD13 LEU 14 HD13 LEU 14 5.202 -3.377 -4.131 395 HD21 LEU 14 HD21 LEU 14 7.161 -5.076 -4.158 396 HD22 LEU 14 HD22 LEU 14 6.049 -6.284 -4.802 397 HD23 LEU 14 HD23 LEU 14 6.941 -6.611 -3.317 398 H SER 15 H SER 15 5.085 -6.003 0.850 399 HA SER 15 HA SER 15 3.010 -7.713 0.083 400 HB2 SER 15 HB3 SER 15 4.138 -7.375 2.873 401 HB3 SER 15 HB2 SER 15 3.341 -8.809 2.222 402 HG SER 15 HG SER 15 5.877 -7.731 1.576 403 H LYS 16 H LYS 16 3.090 -5.146 2.532 404 HA LYS 16 HA LYS 16 0.395 -5.477 3.362 405 HB2 LYS 16 HB3 LYS 16 2.152 -4.349 4.715 406 HB3 LYS 16 HB2 LYS 16 2.151 -3.020 3.567 407 HG2 LYS 16 HG3 LYS 16 -0.221 -2.598 4.117 408 HG3 LYS 16 HG2 LYS 16 -0.131 -3.867 5.339 409 HD2 LYS 16 HD3 LYS 16 1.648 -2.626 6.485 410 HD3 LYS 16 HD2 LYS 16 1.526 -1.348 5.274 411 HE2 LYS 16 HE3 LYS 16 0.304 -0.728 7.275 412 HE3 LYS 16 HE2 LYS 16 -0.810 -0.970 5.931 413 HZ1 LYS 16 HZ1 LYS 16 -1.645 -1.980 7.951 414 HZ2 LYS 16 HZ2 LYS 16 -0.254 -2.926 8.096 415 HZ3 LYS 16 HZ3 LYS 16 -1.313 -3.173 6.802 416 H ASN 17 H ASN 17 1.992 -3.335 1.055 417 HA ASN 17 HA ASN 17 -0.124 -1.736 0.252 418 HB2 ASN 17 HB3 ASN 17 2.261 -1.486 -0.457 419 HB3 ASN 17 HB2 ASN 17 2.067 -2.886 -1.499 420 HD21 ASN 17 HD21 ASN 17 1.377 0.503 -1.105 421 HD22 ASN 17 HD22 ASN 17 0.731 0.742 -2.685 422 H TYR 18 H TYR 18 0.910 -4.853 -1.106 423 HA TYR 18 HA TYR 18 -1.025 -5.201 -3.028 424 HB2 TYR 18 HB3 TYR 18 1.052 -6.653 -2.176 425 HB3 TYR 18 HB2 TYR 18 -0.242 -7.562 -1.398 426 HD1 TYR 18 HD1 TYR 18 1.038 -6.369 -4.637 427 HD2 TYR 18 HD2 TYR 18 -1.643 -9.008 -2.655 428 HE1 TYR 18 HE1 TYR 18 0.609 -7.510 -6.755 429 HE2 TYR 18 HE2 TYR 18 -2.080 -10.162 -4.778 430 HH TYR 18 HH TYR 18 -1.959 -9.687 -7.192 431 H HIS 19 H HIS 19 -1.153 -6.085 0.406 432 HA HIS 19 HA HIS 19 -3.673 -7.347 0.319 433 HB2 HIS 19 HB3 HIS 19 -2.292 -6.001 2.651 434 HB3 HIS 19 HB2 HIS 19 -3.686 -7.066 2.781 435 HD1 HIS 19 HD1 HIS 19 -0.906 -7.625 4.126 436 HD2 HIS 19 HD2 HIS 19 -2.224 -9.253 0.540 437 HE1 HIS 19 HE1 HIS 19 0.432 -9.725 3.808 438 HE2 HIS 19 HE2 HIS 19 -0.232 -10.568 1.531 439 H LEU 20 H LEU 20 -2.718 -4.023 1.082 440 HA LEU 20 HA LEU 20 -5.300 -3.109 1.745 441 HB2 LEU 20 HB3 LEU 20 -2.966 -1.543 0.651 442 HB3 LEU 20 HB2 LEU 20 -4.410 -0.850 1.357 443 HG LEU 20 HG LEU 20 -2.414 -2.572 2.827 444 HD11 LEU 20 HD11 LEU 20 -2.955 0.383 2.922 445 HD12 LEU 20 HD12 LEU 20 -1.497 -0.401 2.314 446 HD13 LEU 20 HD13 LEU 20 -1.899 -0.494 4.029 447 HD21 LEU 20 HD21 LEU 20 -4.859 -1.109 3.810 448 HD22 LEU 20 HD22 LEU 20 -3.680 -1.940 4.823 449 HD23 LEU 20 HD23 LEU 20 -4.672 -2.858 3.690 450 H GLU 21 H GLU 21 -3.512 -3.133 -1.322 451 HA GLU 21 HA GLU 21 -5.392 -1.646 -2.777 452 HB2 GLU 21 HB3 GLU 21 -2.967 -2.454 -3.415 453 HB3 GLU 21 HB2 GLU 21 -3.825 -3.820 -4.113 454 HG2 GLU 21 HG3 GLU 21 -5.211 -2.147 -5.390 455 HG3 GLU 21 HG2 GLU 21 -4.072 -0.916 -4.843 456 H ASN 22 H ASN 22 -5.132 -5.084 -2.099 457 HA ASN 22 HA ASN 22 -7.182 -6.010 -3.775 458 HB2 ASN 22 HB3 ASN 22 -6.228 -7.078 -1.111 459 HB3 ASN 22 HB2 ASN 22 -7.368 -7.918 -2.153 460 HD21 ASN 22 HD21 ASN 22 -4.821 -8.838 -1.263 461 HD22 ASN 22 HD22 ASN 22 -3.855 -9.098 -2.671 462 H GLU 23 H GLU 23 -7.268 -4.896 -0.404 463 HA GLU 23 HA GLU 23 -10.048 -5.301 -0.075 464 HB2 GLU 23 HB3 GLU 23 -8.134 -3.508 1.419 465 HB3 GLU 23 HB2 GLU 23 -9.807 -3.768 1.892 466 HG2 GLU 23 HG3 GLU 23 -9.237 -6.243 1.960 467 HG3 GLU 23 HG2 GLU 23 -7.551 -5.740 1.864 468 H VAL 24 H VAL 24 -8.132 -2.481 -1.059 469 HA VAL 24 HA VAL 24 -10.127 -0.559 -1.168 470 HB VAL 24 HB VAL 24 -7.861 -0.934 -3.135 471 HG11 VAL 24 HG11 VAL 24 -9.575 1.486 -2.592 472 HG12 VAL 24 HG12 VAL 24 -9.577 0.513 -4.061 473 HG13 VAL 24 HG13 VAL 24 -8.150 1.453 -3.629 474 HG21 VAL 24 HG21 VAL 24 -8.073 0.734 -0.634 475 HG22 VAL 24 HG22 VAL 24 -6.736 0.790 -1.781 476 HG23 VAL 24 HG23 VAL 24 -7.054 -0.686 -0.869 477 H ALA 25 H ALA 25 -9.080 -2.763 -3.757 478 HA ALA 25 HA ALA 25 -10.989 -2.034 -5.665 479 HB1 ALA 25 HB1 ALA 25 -10.422 -4.108 -6.789 480 HB2 ALA 25 HB2 ALA 25 -9.647 -4.708 -5.323 481 HB3 ALA 25 HB3 ALA 25 -8.970 -3.318 -6.173 482 H ARG 26 H ARG 26 -11.054 -4.733 -3.333 483 HA ARG 26 HA ARG 26 -13.486 -5.840 -4.147 484 HB2 ARG 26 HB3 ARG 26 -11.910 -6.988 -2.655 485 HB3 ARG 26 HB2 ARG 26 -12.258 -5.824 -1.384 486 HG2 ARG 26 HG3 ARG 26 -14.578 -6.597 -1.311 487 HG3 ARG 26 HG2 ARG 26 -14.227 -7.765 -2.587 488 HD2 ARG 26 HD2 ARG 26 -12.573 -8.841 -1.136 489 HD3 ARG 26 HD1 ARG 26 -12.935 -7.678 0.137 490 HE ARG 26 HE ARG 26 -15.303 -8.986 -0.665 491 HH11 ARG 26 HH11 ARG 26 -12.337 -9.568 1.102 492 HH12 ARG 26 HH12 ARG 26 -13.033 -10.792 2.115 493 HH21 ARG 26 HH21 ARG 26 -16.218 -10.603 0.657 494 HH22 ARG 26 HH22 ARG 26 -15.245 -11.376 1.865 495 H LEU 27 H LEU 27 -12.864 -3.618 -1.427 496 HA LEU 27 HA LEU 27 -15.534 -3.321 -0.653 497 HB2 LEU 27 HB3 LEU 27 -13.219 -1.407 -0.359 498 HB3 LEU 27 HB2 LEU 27 -14.752 -1.246 0.473 499 HG LEU 27 HG LEU 27 -12.883 -3.584 0.791 500 HD11 LEU 27 HD11 LEU 27 -13.330 -1.204 2.577 501 HD12 LEU 27 HD12 LEU 27 -11.866 -1.565 1.663 502 HD13 LEU 27 HD13 LEU 27 -12.366 -2.623 2.981 503 HD21 LEU 27 HD21 LEU 27 -14.283 -4.123 2.721 504 HD22 LEU 27 HD22 LEU 27 -15.215 -4.139 1.223 505 HD23 LEU 27 HD23 LEU 27 -15.340 -2.768 2.327 506 H LYS 28 H LYS 28 -13.759 -1.829 -3.234 507 HA LYS 28 HA LYS 28 -15.459 0.446 -3.526 508 HB2 LYS 28 HB3 LYS 28 -13.056 0.312 -4.245 509 HB3 LYS 28 HB2 LYS 28 -13.567 -0.740 -5.554 510 HG2 LYS 28 HG3 LYS 28 -14.754 0.981 -6.622 511 HG3 LYS 28 HG2 LYS 28 -14.703 2.011 -5.191 512 HD2 LYS 28 HD3 LYS 28 -12.275 1.168 -6.780 513 HD3 LYS 28 HD2 LYS 28 -13.130 2.714 -6.989 514 HE2 LYS 28 HE3 LYS 28 -12.684 3.220 -4.600 515 HE3 LYS 28 HE2 LYS 28 -11.744 1.734 -4.485 516 HZ1 LYS 28 HZ1 LYS 28 -11.135 4.020 -6.277 517 HZ2 LYS 28 HZ2 LYS 28 -10.225 2.601 -6.144 518 HZ3 LYS 28 HZ3 LYS 28 -10.329 3.664 -4.829 519 H LYS 29 H LYS 29 -15.049 -2.570 -5.421 520 HA LYS 29 HA LYS 29 -17.282 -2.162 -7.081 521 HB2 LYS 29 HB3 LYS 29 -15.748 -4.601 -6.217 522 HB3 LYS 29 HB2 LYS 29 -17.221 -4.788 -7.147 523 HG2 LYS 29 HG3 LYS 29 -15.141 -4.888 -8.485 524 HG3 LYS 29 HG2 LYS 29 -16.260 -3.648 -9.033 525 HD2 LYS 29 HD3 LYS 29 -14.918 -1.967 -7.791 526 HD3 LYS 29 HD2 LYS 29 -13.779 -3.244 -7.356 527 HE2 LYS 29 HE3 LYS 29 -14.464 -2.359 -10.159 528 HE3 LYS 29 HE2 LYS 29 -12.990 -1.954 -9.281 529 HZ1 LYS 29 HZ1 LYS 29 -13.840 -4.697 -10.041 530 HZ2 LYS 29 HZ2 LYS 29 -12.416 -4.298 -9.225 531 HZ3 LYS 29 HZ3 LYS 29 -12.647 -3.789 -10.818 532 H LEU 30 H LEU 30 -16.990 -3.397 -3.829 533 HA LEU 30 HA LEU 30 -19.613 -4.491 -3.685 534 HB2 LEU 30 HB3 LEU 30 -17.413 -3.985 -1.788 535 HB3 LEU 30 HB2 LEU 30 -19.020 -3.985 -1.091 536 HG LEU 30 HG LEU 30 -17.948 -6.179 -0.905 537 HD11 LEU 30 HD11 LEU 30 -20.279 -6.166 -2.814 538 HD12 LEU 30 HD12 LEU 30 -20.377 -6.053 -1.057 539 HD13 LEU 30 HD13 LEU 30 -19.763 -7.523 -1.815 540 HD21 LEU 30 HD21 LEU 30 -17.984 -6.188 -3.919 541 HD22 LEU 30 HD22 LEU 30 -17.546 -7.545 -2.883 542 HD23 LEU 30 HD23 LEU 30 -16.548 -6.091 -2.901 543 H VAL 31 H VAL 31 -18.262 -1.483 -2.252 544 HA VAL 31 HA VAL 31 -20.795 -0.558 -1.418 545 HB VAL 31 HB VAL 31 -18.576 0.170 -0.491 546 HG11 VAL 31 HG11 VAL 31 -18.540 1.925 -2.939 547 HG12 VAL 31 HG12 VAL 31 -17.392 0.648 -2.538 548 HG13 VAL 31 HG13 VAL 31 -17.477 2.101 -1.543 549 HG21 VAL 31 HG21 VAL 31 -20.612 1.278 0.151 550 HG22 VAL 31 HG22 VAL 31 -20.547 2.301 -1.282 551 HG23 VAL 31 HG23 VAL 31 -19.324 2.468 -0.024 552 H GLY 32 H GLY 32 -19.048 -0.171 -4.449 553 HA2 GLY 32 HA3 GLY 32 -20.526 0.199 -6.394 554 HA3 GLY 32 HA2 GLY 32 -21.310 1.448 -5.436 555 H GLU 33 H GLU 33 -19.702 1.364 -8.046 556 HA GLU 33 HA GLU 33 -18.372 3.878 -7.613 557 HB2 GLU 33 HB3 GLU 33 -16.637 2.175 -6.990 558 HB3 GLU 33 HB2 GLU 33 -16.750 1.529 -8.621 559 HG2 GLU 33 HG3 GLU 33 -14.832 2.966 -8.445 560 HG3 GLU 33 HG2 GLU 33 -16.027 3.701 -9.512 Start of MODEL 5 1 H1 GLY 1 H1 GLY 1 21.605 -1.931 -8.140 2 H2 GLY 1 H2 GLY 1 21.388 -2.059 -6.469 3 H3 GLY 1 H3 GLY 1 22.937 -1.829 -7.103 4 HA2 GLY 1 HA2 GLY 1 22.302 0.359 -7.917 5 HA3 GLY 1 HA3 GLY 1 20.701 0.112 -7.233 6 H SER 2 H SER 2 21.795 2.285 -6.333 7 HA SER 2 HA SER 2 23.492 1.837 -4.054 8 HB2 SER 2 HB3 SER 2 23.188 4.290 -3.698 9 HB3 SER 2 HB2 SER 2 23.753 3.890 -5.320 10 HG SER 2 HG SER 2 22.105 5.305 -5.615 11 H MET 3 H MET 3 22.784 2.946 -1.921 12 HA MET 3 HA MET 3 20.507 1.576 -0.946 13 HB2 MET 3 HB3 MET 3 22.148 3.805 0.262 14 HB3 MET 3 HB2 MET 3 20.868 2.960 1.121 15 HG2 MET 3 HG3 MET 3 22.074 0.859 0.868 16 HG3 MET 3 HG2 MET 3 23.354 1.696 -0.008 17 HE1 MET 3 HE1 MET 3 23.842 -0.170 2.532 18 HE2 MET 3 HE2 MET 3 25.021 0.785 3.430 19 HE3 MET 3 HE3 MET 3 25.146 0.651 1.675 20 H LYS 4 H LYS 4 21.063 4.867 -2.045 21 HA LYS 4 HA LYS 4 18.588 5.933 -1.231 22 HB2 LYS 4 HB3 LYS 4 20.605 6.730 -3.291 23 HB3 LYS 4 HB2 LYS 4 19.066 7.569 -3.195 24 HG2 LYS 4 HG3 LYS 4 21.041 7.297 -0.937 25 HG3 LYS 4 HG2 LYS 4 20.831 8.725 -1.955 26 HD2 LYS 4 HD3 LYS 4 18.480 8.871 -1.202 27 HD3 LYS 4 HD2 LYS 4 18.763 7.505 -0.125 28 HE2 LYS 4 HE3 LYS 4 20.476 8.794 1.053 29 HE3 LYS 4 HE2 LYS 4 20.188 10.160 -0.023 30 HZ1 LYS 4 HZ1 LYS 4 19.020 10.451 2.055 31 HZ2 LYS 4 HZ2 LYS 4 18.215 8.979 1.854 32 HZ3 LYS 4 HZ3 LYS 4 17.906 10.258 0.796 33 H GLN 5 H GLN 5 19.527 4.157 -4.133 34 HA GLN 5 HA GLN 5 17.157 4.579 -5.593 35 HB2 GLN 5 HB3 GLN 5 19.098 2.266 -5.593 36 HB3 GLN 5 HB2 GLN 5 17.758 2.401 -6.723 37 HG2 GLN 5 HG3 GLN 5 20.005 4.382 -6.435 38 HG3 GLN 5 HG2 GLN 5 19.879 3.146 -7.686 39 HE21 GLN 5 HE21 GLN 5 18.662 6.178 -6.516 40 HE22 GLN 5 HE22 GLN 5 17.767 6.597 -7.934 41 H LEU 6 H LEU 6 18.031 2.232 -3.131 42 HA LEU 6 HA LEU 6 15.569 0.777 -3.267 43 HB2 LEU 6 HB3 LEU 6 17.645 0.919 -1.071 44 HB3 LEU 6 HB2 LEU 6 16.276 -0.175 -1.078 45 HG LEU 6 HG LEU 6 18.431 -0.185 -3.193 46 HD11 LEU 6 HD11 LEU 6 19.350 -0.758 -0.996 47 HD12 LEU 6 HD12 LEU 6 19.305 -2.152 -2.075 48 HD13 LEU 6 HD13 LEU 6 18.098 -1.985 -0.800 49 HD21 LEU 6 HD21 LEU 6 17.489 -2.384 -3.728 50 HD22 LEU 6 HD22 LEU 6 16.303 -1.096 -3.936 51 HD23 LEU 6 HD23 LEU 6 16.234 -2.136 -2.513 52 H GLU 7 H GLU 7 16.793 3.480 -1.406 53 HA GLU 7 HA GLU 7 14.762 3.708 0.493 54 HB2 GLU 7 HB3 GLU 7 16.978 4.899 0.464 55 HB3 GLU 7 HB2 GLU 7 16.334 5.952 -0.788 56 HG2 GLU 7 HG3 GLU 7 16.135 7.136 1.223 57 HG3 GLU 7 HG2 GLU 7 14.506 6.547 0.823 58 H ASP 8 H ASP 8 15.043 4.926 -2.813 59 HA ASP 8 HA ASP 8 12.711 6.495 -2.866 60 HB2 ASP 8 HB3 ASP 8 14.127 5.005 -5.080 61 HB3 ASP 8 HB2 ASP 8 12.764 6.079 -5.360 62 H LYS 9 H LYS 9 13.232 3.087 -3.647 63 HA LYS 9 HA LYS 9 10.584 2.404 -4.321 64 HB2 LYS 9 HB3 LYS 9 12.263 0.508 -2.696 65 HB3 LYS 9 HB2 LYS 9 11.089 0.150 -3.950 66 HG2 LYS 9 HG3 LYS 9 12.622 1.154 -5.629 67 HG3 LYS 9 HG2 LYS 9 13.835 1.298 -4.356 68 HD2 LYS 9 HD3 LYS 9 13.812 -1.102 -4.021 69 HD3 LYS 9 HD2 LYS 9 12.523 -1.280 -5.212 70 HE2 LYS 9 HE3 LYS 9 14.050 -0.348 -6.930 71 HE3 LYS 9 HE2 LYS 9 15.335 -0.314 -5.723 72 HZ1 LYS 9 HZ1 LYS 9 13.912 -2.737 -6.684 73 HZ2 LYS 9 HZ2 LYS 9 15.107 -2.725 -5.493 74 HZ3 LYS 9 HZ3 LYS 9 15.492 -2.291 -7.080 75 H VAL 10 H VAL 10 12.195 2.325 -1.180 76 HA VAL 10 HA VAL 10 10.120 1.358 0.417 77 HB VAL 10 HB VAL 10 12.225 3.400 1.180 78 HG11 VAL 10 HG11 VAL 10 11.861 2.603 3.473 79 HG12 VAL 10 HG12 VAL 10 10.547 1.576 2.901 80 HG13 VAL 10 HG13 VAL 10 10.406 3.330 2.792 81 HG21 VAL 10 HG21 VAL 10 13.483 1.476 2.037 82 HG22 VAL 10 HG22 VAL 10 13.233 1.376 0.295 83 HG23 VAL 10 HG23 VAL 10 12.255 0.392 1.384 84 H GLU 11 H GLU 11 10.940 4.518 -0.749 85 HA GLU 11 HA GLU 11 8.932 5.972 0.662 86 HB2 GLU 11 HB3 GLU 11 10.936 7.067 -0.176 87 HB3 GLU 11 HB2 GLU 11 10.490 6.673 -1.829 88 HG2 GLU 11 HG3 GLU 11 8.511 8.095 -1.627 89 HG3 GLU 11 HG2 GLU 11 8.984 8.505 0.022 90 H GLU 12 H GLU 12 9.143 4.857 -2.740 91 HA GLU 12 HA GLU 12 6.735 5.995 -3.603 92 HB2 GLU 12 HB3 GLU 12 8.583 4.996 -5.016 93 HB3 GLU 12 HB2 GLU 12 7.913 3.415 -4.638 94 HG2 GLU 12 HG3 GLU 12 7.132 4.118 -6.793 95 HG3 GLU 12 HG2 GLU 12 5.781 4.110 -5.661 96 H LEU 13 H LEU 13 7.342 2.637 -2.646 97 HA LEU 13 HA LEU 13 4.745 1.680 -2.731 98 HB2 LEU 13 HB3 LEU 13 7.003 0.869 -0.907 99 HB3 LEU 13 HB2 LEU 13 5.528 -0.051 -1.131 100 HG LEU 13 HG LEU 13 7.533 0.558 -3.304 101 HD11 LEU 13 HD11 LEU 13 8.091 -1.821 -3.146 102 HD12 LEU 13 HD12 LEU 13 7.013 -1.973 -1.758 103 HD13 LEU 13 HD13 LEU 13 8.451 -0.958 -1.650 104 HD21 LEU 13 HD21 LEU 13 6.257 -1.121 -4.581 105 HD22 LEU 13 HD22 LEU 13 5.297 0.305 -4.194 106 HD23 LEU 13 HD23 LEU 13 5.071 -1.185 -3.278 107 H LEU 14 H LEU 14 6.391 3.294 -0.035 108 HA LEU 14 HA LEU 14 4.366 2.927 1.861 109 HB2 LEU 14 HB3 LEU 14 6.618 3.594 2.493 110 HB3 LEU 14 HB2 LEU 14 6.436 5.117 1.651 111 HG LEU 14 HG LEU 14 4.657 5.760 3.257 112 HD11 LEU 14 HD11 LEU 14 5.435 3.185 4.619 113 HD12 LEU 14 HD12 LEU 14 3.860 3.584 3.929 114 HD13 LEU 14 HD13 LEU 14 4.449 4.455 5.343 115 HD21 LEU 14 HD21 LEU 14 6.969 6.464 3.596 116 HD22 LEU 14 HD22 LEU 14 7.290 4.988 4.505 117 HD23 LEU 14 HD23 LEU 14 6.155 6.181 5.134 118 H SER 15 H SER 15 4.952 5.523 -0.491 119 HA SER 15 HA SER 15 2.715 7.089 0.290 120 HB2 SER 15 HB3 SER 15 4.658 7.934 -1.058 121 HB3 SER 15 HB2 SER 15 4.063 6.991 -2.423 122 HG SER 15 HG SER 15 3.392 9.230 -2.408 123 H LYS 16 H LYS 16 3.231 4.446 -1.942 124 HA LYS 16 HA LYS 16 0.706 4.453 -3.197 125 HB2 LYS 16 HB3 LYS 16 2.614 3.187 -4.073 126 HB3 LYS 16 HB2 LYS 16 2.609 2.164 -2.645 127 HG2 LYS 16 HG3 LYS 16 1.615 0.996 -4.495 128 HG3 LYS 16 HG2 LYS 16 0.387 1.327 -3.273 129 HD2 LYS 16 HD3 LYS 16 -0.431 3.210 -4.580 130 HD3 LYS 16 HD2 LYS 16 0.828 2.939 -5.787 131 HE2 LYS 16 HE3 LYS 16 -1.289 0.925 -5.049 132 HE3 LYS 16 HE2 LYS 16 -1.403 2.026 -6.420 133 HZ1 LYS 16 HZ1 LYS 16 0.438 0.993 -7.449 134 HZ2 LYS 16 HZ2 LYS 16 -0.579 -0.257 -6.937 135 HZ3 LYS 16 HZ3 LYS 16 0.824 0.103 -6.066 136 H ASN 17 H ASN 17 1.958 2.620 -0.401 137 HA ASN 17 HA ASN 17 -0.368 1.249 0.280 138 HB2 ASN 17 HB3 ASN 17 1.836 0.873 1.342 139 HB3 ASN 17 HB2 ASN 17 1.674 2.391 2.195 140 HD21 ASN 17 HD21 ASN 17 1.589 1.593 4.285 141 HD22 ASN 17 HD22 ASN 17 0.290 0.611 4.850 142 H TYR 18 H TYR 18 0.728 4.446 1.275 143 HA TYR 18 HA TYR 18 -1.181 5.139 3.113 144 HB2 TYR 18 HB3 TYR 18 0.902 6.405 2.023 145 HB3 TYR 18 HB2 TYR 18 -0.386 7.203 1.126 146 HD1 TYR 18 HD1 TYR 18 1.118 6.685 4.406 147 HD2 TYR 18 HD2 TYR 18 -1.955 8.677 2.251 148 HE1 TYR 18 HE1 TYR 18 0.737 8.152 6.325 149 HE2 TYR 18 HE2 TYR 18 -2.346 10.157 4.168 150 HH TYR 18 HH TYR 18 -0.195 10.372 6.801 151 H HIS 19 H HIS 19 -1.395 5.274 -0.404 152 HA HIS 19 HA HIS 19 -3.877 6.601 -0.571 153 HB2 HIS 19 HB3 HIS 19 -2.314 6.349 -2.477 154 HB3 HIS 19 HB2 HIS 19 -2.657 4.623 -2.516 155 HD1 HIS 19 HD1 HIS 19 -3.898 7.878 -3.697 156 HD2 HIS 19 HD2 HIS 19 -5.307 3.980 -3.421 157 HE1 HIS 19 HE1 HIS 19 -5.911 7.780 -5.201 158 HE2 HIS 19 HE2 HIS 19 -6.652 5.372 -5.132 159 H LEU 20 H LEU 20 -3.091 3.131 -0.756 160 HA LEU 20 HA LEU 20 -5.822 2.374 -1.017 161 HB2 LEU 20 HB3 LEU 20 -3.418 0.677 -0.328 162 HB3 LEU 20 HB2 LEU 20 -5.026 0.053 -0.591 163 HG LEU 20 HG LEU 20 -3.759 -0.315 -2.578 164 HD11 LEU 20 HD11 LEU 20 -6.091 0.317 -2.892 165 HD12 LEU 20 HD12 LEU 20 -5.088 0.843 -4.242 166 HD13 LEU 20 HD13 LEU 20 -5.616 2.007 -3.028 167 HD21 LEU 20 HD21 LEU 20 -2.012 1.321 -2.310 168 HD22 LEU 20 HD22 LEU 20 -3.163 2.630 -2.576 169 HD23 LEU 20 HD23 LEU 20 -2.783 1.511 -3.885 170 H GLU 21 H GLU 21 -3.617 2.626 1.702 171 HA GLU 21 HA GLU 21 -5.209 1.238 3.562 172 HB2 GLU 21 HB3 GLU 21 -2.742 1.973 3.744 173 HB3 GLU 21 HB2 GLU 21 -3.378 3.518 4.290 174 HG2 GLU 21 HG3 GLU 21 -4.521 2.359 6.143 175 HG3 GLU 21 HG2 GLU 21 -3.797 0.842 5.616 176 H ASN 22 H ASN 22 -5.281 4.536 2.403 177 HA ASN 22 HA ASN 22 -7.199 5.434 4.346 178 HB2 ASN 22 HB3 ASN 22 -6.207 6.608 1.753 179 HB3 ASN 22 HB2 ASN 22 -7.492 7.360 2.689 180 HD21 ASN 22 HD21 ASN 22 -4.918 8.431 2.027 181 HD22 ASN 22 HD22 ASN 22 -4.115 8.757 3.521 182 H GLU 23 H GLU 23 -7.342 4.486 0.918 183 HA GLU 23 HA GLU 23 -10.085 4.860 0.557 184 HB2 GLU 23 HB3 GLU 23 -7.962 3.353 -0.839 185 HB3 GLU 23 HB2 GLU 23 -9.606 2.801 -1.137 186 HG2 GLU 23 HG3 GLU 23 -8.749 4.456 -2.781 187 HG3 GLU 23 HG2 GLU 23 -10.253 4.916 -1.990 188 H VAL 24 H VAL 24 -8.313 1.984 1.669 189 HA VAL 24 HA VAL 24 -10.441 0.218 1.882 190 HB VAL 24 HB VAL 24 -7.991 0.473 3.626 191 HG11 VAL 24 HG11 VAL 24 -10.035 -1.750 3.603 192 HG12 VAL 24 HG12 VAL 24 -9.753 -0.618 4.926 193 HG13 VAL 24 HG13 VAL 24 -8.500 -1.772 4.471 194 HG21 VAL 24 HG21 VAL 24 -7.354 -1.594 2.376 195 HG22 VAL 24 HG22 VAL 24 -7.475 -0.144 1.382 196 HG23 VAL 24 HG23 VAL 24 -8.769 -1.342 1.354 197 H ALA 25 H ALA 25 -9.183 2.469 4.335 198 HA ALA 25 HA ALA 25 -10.968 1.861 6.387 199 HB1 ALA 25 HB1 ALA 25 -8.913 3.133 6.705 200 HB2 ALA 25 HB2 ALA 25 -10.308 3.975 7.377 201 HB3 ALA 25 HB3 ALA 25 -9.622 4.493 5.837 202 H ARG 26 H ARG 26 -11.307 4.212 3.754 203 HA ARG 26 HA ARG 26 -13.688 5.383 4.788 204 HB2 ARG 26 HB3 ARG 26 -12.671 5.344 1.939 205 HB3 ARG 26 HB2 ARG 26 -13.931 6.397 2.567 206 HG2 ARG 26 HG3 ARG 26 -12.217 7.310 4.164 207 HG3 ARG 26 HG2 ARG 26 -11.010 6.407 3.243 208 HD2 ARG 26 HD2 ARG 26 -12.865 8.503 2.119 209 HD3 ARG 26 HD1 ARG 26 -11.171 8.756 2.528 210 HE ARG 26 HE ARG 26 -10.579 7.244 0.741 211 HH11 ARG 26 HH11 ARG 26 -13.935 8.267 0.783 212 HH12 ARG 26 HH12 ARG 26 -14.161 8.005 -0.912 213 HH21 ARG 26 HH21 ARG 26 -10.870 6.910 -1.470 214 HH22 ARG 26 HH22 ARG 26 -12.416 7.222 -2.204 215 H LEU 27 H LEU 27 -13.068 3.084 2.156 216 HA LEU 27 HA LEU 27 -15.756 2.596 1.515 217 HB2 LEU 27 HB3 LEU 27 -13.372 0.774 1.211 218 HB3 LEU 27 HB2 LEU 27 -14.922 0.543 0.432 219 HG LEU 27 HG LEU 27 -13.119 2.910 -0.036 220 HD11 LEU 27 HD11 LEU 27 -13.592 0.474 -1.743 221 HD12 LEU 27 HD12 LEU 27 -12.113 0.848 -0.860 222 HD13 LEU 27 HD13 LEU 27 -12.629 1.882 -2.190 223 HD21 LEU 27 HD21 LEU 27 -15.614 1.990 -1.452 224 HD22 LEU 27 HD22 LEU 27 -14.597 3.345 -1.938 225 HD23 LEU 27 HD23 LEU 27 -15.476 3.406 -0.411 226 H LYS 28 H LYS 28 -13.862 1.474 4.168 227 HA LYS 28 HA LYS 28 -15.296 -0.967 4.573 228 HB2 LYS 28 HB3 LYS 28 -12.961 -0.725 5.278 229 HB3 LYS 28 HB2 LYS 28 -13.431 0.524 6.421 230 HG2 LYS 28 HG3 LYS 28 -14.563 -1.010 7.794 231 HG3 LYS 28 HG2 LYS 28 -14.543 -2.258 6.549 232 HD2 LYS 28 HD3 LYS 28 -12.017 -1.144 7.747 233 HD3 LYS 28 HD2 LYS 28 -12.889 -2.513 8.472 234 HE2 LYS 28 HE3 LYS 28 -11.853 -2.426 5.623 235 HE3 LYS 28 HE2 LYS 28 -11.030 -3.204 6.977 236 HZ1 LYS 28 HZ1 LYS 28 -12.969 -4.642 7.259 237 HZ2 LYS 28 HZ2 LYS 28 -12.282 -4.817 5.727 238 HZ3 LYS 28 HZ3 LYS 28 -13.708 -3.930 5.914 239 H LYS 29 H LYS 29 -15.236 2.187 6.296 240 HA LYS 29 HA LYS 29 -17.490 1.505 7.885 241 HB2 LYS 29 HB3 LYS 29 -17.632 4.019 8.252 242 HB3 LYS 29 HB2 LYS 29 -16.159 3.215 8.767 243 HG2 LYS 29 HG3 LYS 29 -14.983 4.020 6.832 244 HG3 LYS 29 HG2 LYS 29 -16.468 4.713 6.176 245 HD2 LYS 29 HD3 LYS 29 -16.570 6.349 7.867 246 HD3 LYS 29 HD2 LYS 29 -15.373 5.511 8.857 247 HE2 LYS 29 HE3 LYS 29 -14.791 6.714 6.158 248 HE3 LYS 29 HE2 LYS 29 -14.526 7.552 7.685 249 HZ1 LYS 29 HZ1 LYS 29 -13.252 4.986 6.893 250 HZ2 LYS 29 HZ2 LYS 29 -12.981 5.828 8.335 251 HZ3 LYS 29 HZ3 LYS 29 -12.505 6.504 6.863 252 H LEU 30 H LEU 30 -17.189 2.434 4.614 253 HA LEU 30 HA LEU 30 -19.849 3.465 4.322 254 HB2 LEU 30 HB3 LEU 30 -17.619 2.742 2.493 255 HB3 LEU 30 HB2 LEU 30 -19.227 2.691 1.810 256 HG LEU 30 HG LEU 30 -19.516 5.017 1.981 257 HD11 LEU 30 HD11 LEU 30 -18.078 6.491 3.298 258 HD12 LEU 30 HD12 LEU 30 -17.156 5.098 3.866 259 HD13 LEU 30 HD13 LEU 30 -18.849 5.281 4.322 260 HD21 LEU 30 HD21 LEU 30 -17.544 5.985 0.951 261 HD22 LEU 30 HD22 LEU 30 -17.882 4.387 0.283 262 HD23 LEU 30 HD23 LEU 30 -16.580 4.597 1.455 263 H VAL 31 H VAL 31 -18.310 0.383 3.345 264 HA VAL 31 HA VAL 31 -20.727 -0.939 2.754 265 HB VAL 31 HB VAL 31 -18.100 -2.140 3.664 266 HG11 VAL 31 HG11 VAL 31 -20.414 -3.424 2.219 267 HG12 VAL 31 HG12 VAL 31 -19.932 -3.729 3.887 268 HG13 VAL 31 HG13 VAL 31 -18.861 -4.186 2.563 269 HG21 VAL 31 HG21 VAL 31 -19.169 -1.624 0.891 270 HG22 VAL 31 HG22 VAL 31 -17.675 -2.481 1.272 271 HG23 VAL 31 HG23 VAL 31 -17.839 -0.771 1.675 272 H GLY 32 H GLY 32 -19.023 -0.430 5.789 273 HA2 GLY 32 HA3 GLY 32 -20.948 -2.161 7.163 274 HA3 GLY 32 HA2 GLY 32 -19.438 -1.572 7.837 275 H GLU 33 H GLU 33 -22.273 -0.036 6.339 276 HA GLU 33 HA GLU 33 -22.314 1.977 8.423 277 HB2 GLU 33 HB3 GLU 33 -23.793 1.553 5.857 278 HB3 GLU 33 HB2 GLU 33 -24.486 2.616 7.072 279 HG2 GLU 33 HG3 GLU 33 -21.694 2.934 6.014 280 HG3 GLU 33 HG2 GLU 33 -23.099 3.719 5.295 281 H1 GLY 1 H1 GLY 1 21.664 1.695 8.535 282 H2 GLY 1 H2 GLY 1 21.441 1.836 6.868 283 H3 GLY 1 H3 GLY 1 22.994 1.621 7.495 284 HA2 GLY 1 HA2 GLY 1 22.402 -0.578 8.285 285 HA3 GLY 1 HA3 GLY 1 20.790 -0.354 7.620 286 H SER 2 H SER 2 21.902 -2.501 6.686 287 HA SER 2 HA SER 2 23.568 -2.003 4.393 288 HB2 SER 2 HB3 SER 2 23.318 -4.452 4.013 289 HB3 SER 2 HB2 SER 2 23.871 -4.067 5.642 290 HG SER 2 HG SER 2 22.260 -5.465 6.003 291 H MET 3 H MET 3 22.855 -3.097 2.251 292 HA MET 3 HA MET 3 20.540 -1.765 1.320 293 HB2 MET 3 HB3 MET 3 22.201 -3.960 0.075 294 HB3 MET 3 HB2 MET 3 20.894 -3.131 -0.760 295 HG2 MET 3 HG3 MET 3 22.071 -1.009 -0.505 296 HG3 MET 3 HG2 MET 3 23.379 -1.834 0.338 297 HE1 MET 3 HE1 MET 3 23.797 0.063 -2.186 298 HE2 MET 3 HE2 MET 3 24.979 -0.867 -3.107 299 HE3 MET 3 HE3 MET 3 25.123 -0.749 -1.353 300 H LYS 4 H LYS 4 21.161 -5.059 2.388 301 HA LYS 4 HA LYS 4 18.692 -6.154 1.597 302 HB2 LYS 4 HB3 LYS 4 20.750 -6.941 3.622 303 HB3 LYS 4 HB2 LYS 4 19.220 -7.801 3.543 304 HG2 LYS 4 HG3 LYS 4 21.155 -7.484 1.257 305 HG3 LYS 4 HG2 LYS 4 20.983 -8.922 2.264 306 HD2 LYS 4 HD3 LYS 4 18.626 -9.104 1.538 307 HD3 LYS 4 HD2 LYS 4 18.869 -7.719 0.476 308 HE2 LYS 4 HE3 LYS 4 20.596 -8.956 -0.738 309 HE3 LYS 4 HE2 LYS 4 20.342 -10.344 0.321 310 HZ1 LYS 4 HZ1 LYS 4 19.157 -10.620 -1.749 311 HZ2 LYS 4 HZ2 LYS 4 18.331 -9.165 -1.517 312 HZ3 LYS 4 HZ3 LYS 4 18.053 -10.466 -0.478 313 H GLN 5 H GLN 5 19.640 -4.386 4.499 314 HA GLN 5 HA GLN 5 17.295 -4.857 5.987 315 HB2 GLN 5 HB3 GLN 5 19.199 -2.515 5.979 316 HB3 GLN 5 HB2 GLN 5 17.878 -2.683 7.127 317 HG2 GLN 5 HG3 GLN 5 20.153 -4.623 6.793 318 HG3 GLN 5 HG2 GLN 5 20.026 -3.397 8.053 319 HE21 GLN 5 HE21 GLN 5 18.834 -6.435 6.878 320 HE22 GLN 5 HE22 GLN 5 17.983 -6.888 8.313 321 H LEU 6 H LEU 6 18.103 -2.471 3.537 322 HA LEU 6 HA LEU 6 15.621 -1.062 3.718 323 HB2 LEU 6 HB3 LEU 6 17.668 -1.149 1.495 324 HB3 LEU 6 HB2 LEU 6 16.284 -0.080 1.529 325 HG LEU 6 HG LEU 6 18.463 -0.052 3.616 326 HD11 LEU 6 HD11 LEU 6 19.344 0.549 1.412 327 HD12 LEU 6 HD12 LEU 6 19.296 1.933 2.501 328 HD13 LEU 6 HD13 LEU 6 18.074 1.759 1.241 329 HD21 LEU 6 HD21 LEU 6 17.495 2.129 4.181 330 HD22 LEU 6 HD22 LEU 6 16.331 0.822 4.393 331 HD23 LEU 6 HD23 LEU 6 16.228 1.872 2.980 332 H GLU 7 H GLU 7 16.858 -3.730 1.817 333 HA GLU 7 HA GLU 7 14.805 -3.967 -0.058 334 HB2 GLU 7 HB3 GLU 7 17.039 -5.123 -0.073 335 HB3 GLU 7 HB2 GLU 7 16.429 -6.199 1.176 336 HG2 GLU 7 HG3 GLU 7 16.220 -7.368 -0.841 337 HG3 GLU 7 HG2 GLU 7 14.588 -6.807 -0.415 338 H ASP 8 H ASP 8 15.143 -5.196 3.237 339 HA ASP 8 HA ASP 8 12.841 -6.810 3.304 340 HB2 ASP 8 HB3 ASP 8 14.263 -5.317 5.510 341 HB3 ASP 8 HB2 ASP 8 12.906 -6.400 5.800 342 H LYS 9 H LYS 9 13.318 -3.405 4.114 343 HA LYS 9 HA LYS 9 10.670 -2.773 4.823 344 HB2 LYS 9 HB3 LYS 9 12.297 -0.834 3.197 345 HB3 LYS 9 HB2 LYS 9 11.135 -0.507 4.472 346 HG2 LYS 9 HG3 LYS 9 12.711 -1.505 6.118 347 HG3 LYS 9 HG2 LYS 9 13.906 -1.617 4.824 348 HD2 LYS 9 HD3 LYS 9 13.842 0.786 4.513 349 HD3 LYS 9 HD2 LYS 9 12.569 0.933 5.725 350 HE2 LYS 9 HE3 LYS 9 14.134 0.008 7.410 351 HE3 LYS 9 HE2 LYS 9 15.400 0.002 6.184 352 HZ1 LYS 9 HZ1 LYS 9 13.964 2.396 7.197 353 HZ2 LYS 9 HZ2 LYS 9 15.138 2.411 5.982 354 HZ3 LYS 9 HZ3 LYS 9 15.561 1.966 7.557 355 H VAL 10 H VAL 10 12.242 -2.643 1.664 356 HA VAL 10 HA VAL 10 10.131 -1.689 0.102 357 HB VAL 10 HB VAL 10 12.255 -3.691 -0.709 358 HG11 VAL 10 HG11 VAL 10 11.845 -2.875 -2.986 359 HG12 VAL 10 HG12 VAL 10 10.526 -1.874 -2.383 360 HG13 VAL 10 HG13 VAL 10 10.413 -3.631 -2.291 361 HG21 VAL 10 HG21 VAL 10 13.474 -1.743 -1.565 362 HG22 VAL 10 HG22 VAL 10 13.248 -1.661 0.181 363 HG23 VAL 10 HG23 VAL 10 12.242 -0.681 -0.885 364 H GLU 11 H GLU 11 11.016 -4.847 1.224 365 HA GLU 11 HA GLU 11 9.007 -6.319 -0.171 366 HB2 GLU 11 HB3 GLU 11 11.042 -7.388 0.630 367 HB3 GLU 11 HB2 GLU 11 10.610 -7.018 2.292 368 HG2 GLU 11 HG3 GLU 11 8.657 -8.474 2.106 369 HG3 GLU 11 HG2 GLU 11 9.102 -8.850 0.443 370 H GLU 12 H GLU 12 9.250 -5.230 3.240 371 HA GLU 12 HA GLU 12 6.870 -6.413 4.123 372 HB2 GLU 12 HB3 GLU 12 8.722 -5.401 5.523 373 HB3 GLU 12 HB2 GLU 12 8.025 -3.826 5.168 374 HG2 GLU 12 HG3 GLU 12 7.281 -4.553 7.324 375 HG3 GLU 12 HG2 GLU 12 5.914 -4.563 6.212 376 H LEU 13 H LEU 13 7.413 -3.037 3.188 377 HA LEU 13 HA LEU 13 4.804 -2.121 3.316 378 HB2 LEU 13 HB3 LEU 13 7.026 -1.261 1.472 379 HB3 LEU 13 HB2 LEU 13 5.542 -0.364 1.722 380 HG LEU 13 HG LEU 13 7.583 -0.963 3.864 381 HD11 LEU 13 HD11 LEU 13 8.106 1.426 3.721 382 HD12 LEU 13 HD12 LEU 13 7.008 1.577 2.349 383 HD13 LEU 13 HD13 LEU 13 8.459 0.583 2.212 384 HD21 LEU 13 HD21 LEU 13 6.301 0.686 5.171 385 HD22 LEU 13 HD22 LEU 13 5.355 -0.749 4.784 386 HD23 LEU 13 HD23 LEU 13 5.098 0.746 3.885 387 H LEU 14 H LEU 14 6.435 -3.696 0.588 388 HA LEU 14 HA LEU 14 4.381 -3.335 -1.281 389 HB2 LEU 14 HB3 LEU 14 6.634 -3.965 -1.948 390 HB3 LEU 14 HB2 LEU 14 6.485 -5.497 -1.118 391 HG LEU 14 HG LEU 14 4.695 -6.151 -2.706 392 HD11 LEU 14 HD11 LEU 14 5.419 -3.552 -4.053 393 HD12 LEU 14 HD12 LEU 14 3.860 -3.979 -3.348 394 HD13 LEU 14 HD13 LEU 14 4.443 -4.829 -4.777 395 HD21 LEU 14 HD21 LEU 14 7.011 -6.817 -3.077 396 HD22 LEU 14 HD22 LEU 14 7.303 -5.328 -3.973 397 HD23 LEU 14 HD23 LEU 14 6.178 -6.530 -4.605 398 H SER 15 H SER 15 5.039 -5.947 1.036 399 HA SER 15 HA SER 15 2.810 -7.537 0.281 400 HB2 SER 15 HB3 SER 15 4.776 -8.371 1.594 401 HB3 SER 15 HB2 SER 15 4.202 -7.432 2.971 402 HG SER 15 HG SER 15 3.556 -9.694 2.927 403 H LYS 16 H LYS 16 3.321 -4.900 2.521 404 HA LYS 16 HA LYS 16 0.814 -4.953 3.813 405 HB2 LYS 16 HB3 LYS 16 2.715 -3.668 4.674 406 HB3 LYS 16 HB2 LYS 16 2.676 -2.632 3.258 407 HG2 LYS 16 HG3 LYS 16 1.692 -1.497 5.134 408 HG3 LYS 16 HG2 LYS 16 0.455 -1.831 3.924 409 HD2 LYS 16 HD3 LYS 16 -0.320 -3.741 5.221 410 HD3 LYS 16 HD2 LYS 16 0.950 -3.466 6.415 411 HE2 LYS 16 HE3 LYS 16 -1.207 -1.475 5.726 412 HE3 LYS 16 HE2 LYS 16 -1.285 -2.589 7.088 413 HZ1 LYS 16 HZ1 LYS 16 0.561 -1.542 8.098 414 HZ2 LYS 16 HZ2 LYS 16 -0.484 -0.299 7.617 415 HZ3 LYS 16 HZ3 LYS 16 0.909 -0.631 6.718 416 H ASN 17 H ASN 17 2.003 -3.083 1.016 417 HA ASN 17 HA ASN 17 -0.354 -1.740 0.378 418 HB2 ASN 17 HB3 ASN 17 1.830 -1.322 -0.710 419 HB3 ASN 17 HB2 ASN 17 1.682 -2.835 -1.571 420 HD21 ASN 17 HD21 ASN 17 1.558 -2.022 -3.654 421 HD22 ASN 17 HD22 ASN 17 0.233 -1.061 -4.195 422 H TYR 18 H TYR 18 0.778 -4.912 -0.659 423 HA TYR 18 HA TYR 18 -1.143 -5.620 -2.476 424 HB2 TYR 18 HB3 TYR 18 0.970 -6.866 -1.422 425 HB3 TYR 18 HB2 TYR 18 -0.297 -7.690 -0.517 426 HD1 TYR 18 HD1 TYR 18 1.157 -7.121 -3.810 427 HD2 TYR 18 HD2 TYR 18 -1.855 -9.179 -1.635 428 HE1 TYR 18 HE1 TYR 18 0.770 -8.571 -5.741 429 HE2 TYR 18 HE2 TYR 18 -2.252 -10.645 -3.565 430 HH TYR 18 HH TYR 18 -0.138 -10.817 -6.208 431 H HIS 19 H HIS 19 -1.312 -5.777 1.041 432 HA HIS 19 HA HIS 19 -3.768 -7.153 1.227 433 HB2 HIS 19 HB3 HIS 19 -2.185 -6.894 3.115 434 HB3 HIS 19 HB2 HIS 19 -2.552 -5.175 3.174 435 HD1 HIS 19 HD1 HIS 19 -3.735 -8.463 4.333 436 HD2 HIS 19 HD2 HIS 19 -5.200 -4.579 4.127 437 HE1 HIS 19 HE1 HIS 19 -5.719 -8.405 5.871 438 HE2 HIS 19 HE2 HIS 19 -6.507 -6.013 5.831 439 H LEU 20 H LEU 20 -3.033 -3.672 1.436 440 HA LEU 20 HA LEU 20 -5.772 -2.955 1.743 441 HB2 LEU 20 HB3 LEU 20 -3.402 -1.220 1.033 442 HB3 LEU 20 HB2 LEU 20 -5.015 -0.620 1.323 443 HG LEU 20 HG LEU 20 -3.723 -0.249 3.295 444 HD11 LEU 20 HD11 LEU 20 -6.041 -0.906 3.639 445 HD12 LEU 20 HD12 LEU 20 -5.014 -1.437 4.968 446 HD13 LEU 20 HD13 LEU 20 -5.549 -2.594 3.751 447 HD21 LEU 20 HD21 LEU 20 -1.960 -1.860 2.990 448 HD22 LEU 20 HD22 LEU 20 -3.091 -3.186 3.259 449 HD23 LEU 20 HD23 LEU 20 -2.707 -2.076 4.573 450 H GLU 21 H GLU 21 -3.600 -3.158 -1.008 451 HA GLU 21 HA GLU 21 -5.237 -1.778 -2.834 452 HB2 GLU 21 HB3 GLU 21 -2.762 -2.472 -3.058 453 HB3 GLU 21 HB2 GLU 21 -3.382 -4.021 -3.613 454 HG2 GLU 21 HG3 GLU 21 -4.563 -2.868 -5.435 455 HG3 GLU 21 HG2 GLU 21 -3.870 -1.340 -4.901 456 H ASN 22 H ASN 22 -5.246 -5.083 -1.705 457 HA ASN 22 HA ASN 22 -7.176 -5.993 -3.631 458 HB2 ASN 22 HB3 ASN 22 -6.132 -7.177 -1.061 459 HB3 ASN 22 HB2 ASN 22 -7.418 -7.939 -1.989 460 HD21 ASN 22 HD21 ASN 22 -4.815 -8.975 -1.371 461 HD22 ASN 22 HD22 ASN 22 -4.028 -9.275 -2.880 462 H GLU 23 H GLU 23 -7.286 -5.070 -0.195 463 HA GLU 23 HA GLU 23 -10.018 -5.494 0.200 464 HB2 GLU 23 HB3 GLU 23 -7.900 -3.968 1.585 465 HB3 GLU 23 HB2 GLU 23 -9.550 -3.441 1.909 466 HG2 GLU 23 HG3 GLU 23 -8.652 -5.099 3.526 467 HG3 GLU 23 HG2 GLU 23 -10.158 -5.573 2.747 468 H VAL 24 H VAL 24 -8.308 -2.582 -0.909 469 HA VAL 24 HA VAL 24 -10.464 -0.847 -1.079 470 HB VAL 24 HB VAL 24 -8.034 -1.053 -2.858 471 HG11 VAL 24 HG11 VAL 24 -10.109 1.142 -2.788 472 HG12 VAL 24 HG12 VAL 24 -9.825 0.026 -4.124 473 HG13 VAL 24 HG13 VAL 24 -8.584 1.196 -3.671 474 HG21 VAL 24 HG21 VAL 24 -7.406 1.012 -1.601 475 HG22 VAL 24 HG22 VAL 24 -7.494 -0.446 -0.617 476 HG23 VAL 24 HG23 VAL 24 -8.802 0.735 -0.562 477 H ALA 25 H ALA 25 -9.205 -3.060 -3.565 478 HA ALA 25 HA ALA 25 -11.021 -2.456 -5.589 479 HB1 ALA 25 HB1 ALA 25 -8.952 -3.695 -5.945 480 HB2 ALA 25 HB2 ALA 25 -10.343 -4.553 -6.606 481 HB3 ALA 25 HB3 ALA 25 -9.629 -5.076 -5.081 482 H ARG 26 H ARG 26 -11.294 -4.835 -2.974 483 HA ARG 26 HA ARG 26 -13.672 -6.033 -3.986 484 HB2 ARG 26 HB3 ARG 26 -12.615 -6.004 -1.152 485 HB3 ARG 26 HB2 ARG 26 -13.868 -7.071 -1.774 486 HG2 ARG 26 HG3 ARG 26 -12.161 -7.943 -3.400 487 HG3 ARG 26 HG2 ARG 26 -10.956 -7.031 -2.490 488 HD2 ARG 26 HD2 ARG 26 -12.764 -9.165 -1.361 489 HD3 ARG 26 HD1 ARG 26 -11.072 -9.389 -1.793 490 HE ARG 26 HE ARG 26 -10.481 -7.881 -0.000 491 HH11 ARG 26 HH11 ARG 26 -13.824 -8.963 -0.004 492 HH12 ARG 26 HH12 ARG 26 -14.030 -8.714 1.697 493 HH21 ARG 26 HH21 ARG 26 -10.748 -7.579 2.220 494 HH22 ARG 26 HH22 ARG 26 -12.282 -7.919 2.967 495 H LEU 27 H LEU 27 -13.049 -3.753 -1.340 496 HA LEU 27 HA LEU 27 -15.734 -3.308 -0.658 497 HB2 LEU 27 HB3 LEU 27 -13.372 -1.455 -0.373 498 HB3 LEU 27 HB2 LEU 27 -14.914 -1.249 0.428 499 HG LEU 27 HG LEU 27 -13.073 -3.596 0.853 500 HD11 LEU 27 HD11 LEU 27 -13.557 -1.182 2.589 501 HD12 LEU 27 HD12 LEU 27 -12.085 -1.526 1.682 502 HD13 LEU 27 HD13 LEU 27 -12.568 -2.581 3.009 503 HD21 LEU 27 HD21 LEU 27 -15.563 -2.722 2.310 504 HD22 LEU 27 HD22 LEU 27 -14.520 -4.067 2.771 505 HD23 LEU 27 HD23 LEU 27 -15.417 -4.126 1.254 506 H LYS 28 H LYS 28 -13.900 -2.141 -3.332 507 HA LYS 28 HA LYS 28 -15.372 0.289 -3.688 508 HB2 LYS 28 HB3 LYS 28 -13.043 0.086 -4.430 509 HB3 LYS 28 HB2 LYS 28 -13.513 -1.160 -5.578 510 HG2 LYS 28 HG3 LYS 28 -14.684 0.370 -6.922 511 HG3 LYS 28 HG2 LYS 28 -14.667 1.607 -5.665 512 HD2 LYS 28 HD3 LYS 28 -12.138 0.542 -6.904 513 HD3 LYS 28 HD2 LYS 28 -13.040 1.903 -7.607 514 HE2 LYS 28 HE3 LYS 28 -11.976 1.806 -4.773 515 HE3 LYS 28 HE2 LYS 28 -11.173 2.603 -6.126 516 HZ1 LYS 28 HZ1 LYS 28 -13.126 4.031 -6.374 517 HZ2 LYS 28 HZ2 LYS 28 -12.429 4.197 -4.845 518 HZ3 LYS 28 HZ3 LYS 28 -13.851 3.297 -5.034 519 H LYS 29 H LYS 29 -15.290 -2.849 -5.440 520 HA LYS 29 HA LYS 29 -17.572 -2.187 -6.998 521 HB2 LYS 29 HB3 LYS 29 -17.677 -4.699 -7.385 522 HB3 LYS 29 HB2 LYS 29 -16.224 -3.868 -7.908 523 HG2 LYS 29 HG3 LYS 29 -15.014 -4.673 -5.996 524 HG3 LYS 29 HG2 LYS 29 -16.481 -5.393 -5.328 525 HD2 LYS 29 HD3 LYS 29 -16.581 -7.016 -7.029 526 HD3 LYS 29 HD2 LYS 29 -15.417 -6.152 -8.034 527 HE2 LYS 29 HE3 LYS 29 -14.768 -7.376 -5.358 528 HE3 LYS 29 HE2 LYS 29 -14.516 -8.190 -6.902 529 HZ1 LYS 29 HZ1 LYS 29 -13.270 -5.615 -6.095 530 HZ2 LYS 29 HZ2 LYS 29 -13.011 -6.430 -7.556 531 HZ3 LYS 29 HZ3 LYS 29 -12.498 -7.122 -6.104 532 H LEU 30 H LEU 30 -17.218 -3.142 -3.742 533 HA LEU 30 HA LEU 30 -19.858 -4.217 -3.420 534 HB2 LEU 30 HB3 LEU 30 -17.611 -3.472 -1.619 535 HB3 LEU 30 HB2 LEU 30 -19.209 -3.450 -0.911 536 HG LEU 30 HG LEU 30 -19.465 -5.781 -1.096 537 HD11 LEU 30 HD11 LEU 30 -18.021 -7.218 -2.446 538 HD12 LEU 30 HD12 LEU 30 -17.132 -5.806 -3.015 539 HD13 LEU 30 HD13 LEU 30 -18.829 -6.013 -3.449 540 HD21 LEU 30 HD21 LEU 30 -17.461 -6.725 -0.103 541 HD22 LEU 30 HD22 LEU 30 -17.817 -5.140 0.585 542 HD23 LEU 30 HD23 LEU 30 -16.529 -5.315 -0.607 543 H VAL 31 H VAL 31 -18.352 -1.123 -2.431 544 HA VAL 31 HA VAL 31 -20.777 0.163 -1.798 545 HB VAL 31 HB VAL 31 -18.178 1.404 -2.733 546 HG11 VAL 31 HG11 VAL 31 -20.486 2.642 -1.241 547 HG12 VAL 31 HG12 VAL 31 -20.034 2.971 -2.909 548 HG13 VAL 31 HG13 VAL 31 -18.950 3.429 -1.598 549 HG21 VAL 31 HG21 VAL 31 -19.202 0.849 0.048 550 HG22 VAL 31 HG22 VAL 31 -17.726 1.731 -0.345 551 HG23 VAL 31 HG23 VAL 31 -17.869 0.022 -0.759 552 H GLY 32 H GLY 32 -19.109 -0.297 -4.861 553 HA2 GLY 32 HA3 GLY 32 -21.067 1.427 -6.197 554 HA3 GLY 32 HA2 GLY 32 -19.558 0.859 -6.892 555 H GLU 33 H GLU 33 -22.351 -0.730 -5.368 556 HA GLU 33 HA GLU 33 -22.394 -2.721 -7.472 557 HB2 GLU 33 HB3 GLU 33 -23.832 -2.353 -4.875 558 HB3 GLU 33 HB2 GLU 33 -24.535 -3.410 -6.090 559 HG2 GLU 33 HG3 GLU 33 -21.719 -3.703 -5.086 560 HG3 GLU 33 HG2 GLU 33 -23.100 -4.517 -4.353 Start of MODEL 6 1 H1 GLY 1 H1 GLY 1 20.565 -3.369 -6.807 2 H2 GLY 1 H2 GLY 1 18.908 -3.674 -6.945 3 H3 GLY 1 H3 GLY 1 19.659 -3.755 -5.435 4 HA2 GLY 1 HA2 GLY 1 19.369 -1.306 -7.081 5 HA3 GLY 1 HA3 GLY 1 18.382 -1.710 -5.683 6 H SER 2 H SER 2 20.313 0.526 -6.279 7 HA SER 2 HA SER 2 22.516 0.179 -4.489 8 HB2 SER 2 HB3 SER 2 21.326 2.755 -5.545 9 HB3 SER 2 HB2 SER 2 22.946 2.535 -4.881 10 HG SER 2 HG SER 2 22.389 2.408 -7.352 11 H MET 3 H MET 3 22.821 1.613 -2.543 12 HA MET 3 HA MET 3 20.839 0.998 -0.671 13 HB2 MET 3 HB3 MET 3 23.209 1.367 -0.103 14 HB3 MET 3 HB2 MET 3 23.018 3.079 -0.438 15 HG2 MET 3 HG3 MET 3 21.370 3.240 1.371 16 HG3 MET 3 HG2 MET 3 21.608 1.527 1.718 17 HE1 MET 3 HE1 MET 3 23.896 0.504 2.567 18 HE2 MET 3 HE2 MET 3 25.339 1.457 2.914 19 HE3 MET 3 HE3 MET 3 24.792 1.259 1.249 20 H LYS 4 H LYS 4 21.718 4.241 -1.930 21 HA LYS 4 HA LYS 4 19.558 5.573 -0.718 22 HB2 LYS 4 HB3 LYS 4 20.026 7.409 -2.293 23 HB3 LYS 4 HB2 LYS 4 21.485 6.798 -1.535 24 HG2 LYS 4 HG3 LYS 4 22.053 5.569 -3.542 25 HG3 LYS 4 HG2 LYS 4 20.549 6.083 -4.304 26 HD2 LYS 4 HD3 LYS 4 22.392 7.445 -5.099 27 HD3 LYS 4 HD2 LYS 4 21.284 8.424 -4.139 28 HE2 LYS 4 HE3 LYS 4 22.783 8.217 -2.209 29 HE3 LYS 4 HE2 LYS 4 23.890 7.244 -3.176 30 HZ1 LYS 4 HZ1 LYS 4 24.617 9.533 -3.067 31 HZ2 LYS 4 HZ2 LYS 4 23.146 10.070 -3.699 32 HZ3 LYS 4 HZ3 LYS 4 24.186 9.143 -4.653 33 H GLN 5 H GLN 5 19.782 3.792 -3.707 34 HA GLN 5 HA GLN 5 17.409 4.744 -4.908 35 HB2 GLN 5 HB3 GLN 5 19.082 3.590 -6.228 36 HB3 GLN 5 HB2 GLN 5 18.912 2.143 -5.245 37 HG2 GLN 5 HG3 GLN 5 16.608 1.885 -6.049 38 HG3 GLN 5 HG2 GLN 5 16.817 3.312 -7.064 39 HE21 GLN 5 HE21 GLN 5 16.436 2.142 -8.939 40 HE22 GLN 5 HE22 GLN 5 17.595 1.033 -9.584 41 H LEU 6 H LEU 6 18.123 1.870 -2.950 42 HA LEU 6 HA LEU 6 15.487 0.854 -2.935 43 HB2 LEU 6 HB3 LEU 6 17.765 0.440 -1.001 44 HB3 LEU 6 HB2 LEU 6 16.248 -0.434 -0.923 45 HG LEU 6 HG LEU 6 18.142 -0.528 -3.279 46 HD11 LEU 6 HD11 LEU 6 18.697 -2.770 -2.500 47 HD12 LEU 6 HD12 LEU 6 17.698 -2.523 -1.068 48 HD13 LEU 6 HD13 LEU 6 19.147 -1.547 -1.312 49 HD21 LEU 6 HD21 LEU 6 15.842 -0.954 -3.909 50 HD22 LEU 6 HD22 LEU 6 15.679 -2.127 -2.604 51 HD23 LEU 6 HD23 LEU 6 16.770 -2.453 -3.949 52 H GLU 7 H GLU 7 17.195 3.126 -0.913 53 HA GLU 7 HA GLU 7 15.406 3.424 1.192 54 HB2 GLU 7 HB3 GLU 7 17.758 4.487 0.677 55 HB3 GLU 7 HB2 GLU 7 16.819 5.776 -0.047 56 HG2 GLU 7 HG3 GLU 7 16.685 4.895 2.843 57 HG3 GLU 7 HG2 GLU 7 17.528 6.321 2.210 58 H ASP 8 H ASP 8 15.512 5.121 -1.937 59 HA ASP 8 HA ASP 8 13.205 6.682 -1.567 60 HB2 ASP 8 HB3 ASP 8 14.833 5.841 -3.907 61 HB3 ASP 8 HB2 ASP 8 13.214 6.447 -4.233 62 H LYS 9 H LYS 9 13.623 3.509 -3.089 63 HA LYS 9 HA LYS 9 11.013 3.012 -3.931 64 HB2 LYS 9 HB3 LYS 9 12.509 0.823 -2.525 65 HB3 LYS 9 HB2 LYS 9 11.446 0.715 -3.914 66 HG2 LYS 9 HG3 LYS 9 14.195 1.941 -3.962 67 HG3 LYS 9 HG2 LYS 9 13.793 0.312 -4.500 68 HD2 LYS 9 HD3 LYS 9 12.809 2.908 -5.689 69 HD3 LYS 9 HD2 LYS 9 13.963 1.788 -6.403 70 HE2 LYS 9 HE3 LYS 9 11.064 1.200 -5.818 71 HE3 LYS 9 HE2 LYS 9 11.748 1.547 -7.403 72 HZ1 LYS 9 HZ1 LYS 9 13.083 -0.451 -7.232 73 HZ2 LYS 9 HZ2 LYS 9 11.447 -0.823 -7.054 74 HZ3 LYS 9 HZ3 LYS 9 12.454 -0.781 -5.699 75 H VAL 10 H VAL 10 12.388 2.422 -0.726 76 HA VAL 10 HA VAL 10 10.205 1.192 0.513 77 HB VAL 10 HB VAL 10 12.183 3.092 1.792 78 HG11 VAL 10 HG11 VAL 10 11.665 1.887 3.864 79 HG12 VAL 10 HG12 VAL 10 10.450 0.940 3.006 80 HG13 VAL 10 HG13 VAL 10 10.237 2.680 3.197 81 HG21 VAL 10 HG21 VAL 10 13.365 1.311 0.675 82 HG22 VAL 10 HG22 VAL 10 12.302 0.106 1.399 83 HG23 VAL 10 HG23 VAL 10 13.406 1.033 2.417 84 H GLU 11 H GLU 11 11.076 4.506 -0.019 85 HA GLU 11 HA GLU 11 8.927 5.665 1.468 86 HB2 GLU 11 HB3 GLU 11 10.780 6.822 -0.608 87 HB3 GLU 11 HB2 GLU 11 9.583 7.771 0.263 88 HG2 GLU 11 HG3 GLU 11 11.825 6.221 1.542 89 HG3 GLU 11 HG2 GLU 11 11.841 7.953 1.215 90 H GLU 12 H GLU 12 9.445 5.168 -2.053 91 HA GLU 12 HA GLU 12 7.126 6.411 -2.961 92 HB2 GLU 12 HB3 GLU 12 8.441 3.938 -4.099 93 HB3 GLU 12 HB2 GLU 12 7.309 4.976 -4.952 94 HG2 GLU 12 HG3 GLU 12 8.902 6.841 -4.743 95 HG3 GLU 12 HG2 GLU 12 10.043 5.748 -3.960 96 H LEU 13 H LEU 13 7.529 2.932 -2.418 97 HA LEU 13 HA LEU 13 4.881 2.175 -2.710 98 HB2 LEU 13 HB3 LEU 13 7.042 0.945 -1.012 99 HB3 LEU 13 HB2 LEU 13 5.498 0.180 -1.339 100 HG LEU 13 HG LEU 13 7.556 0.910 -3.424 101 HD11 LEU 13 HD11 LEU 13 8.312 -0.917 -2.024 102 HD12 LEU 13 HD12 LEU 13 7.863 -1.515 -3.623 103 HD13 LEU 13 HD13 LEU 13 6.777 -1.753 -2.254 104 HD21 LEU 13 HD21 LEU 13 5.315 1.011 -4.332 105 HD22 LEU 13 HD22 LEU 13 4.933 -0.564 -3.636 106 HD23 LEU 13 HD23 LEU 13 6.132 -0.435 -4.924 107 H LEU 14 H LEU 14 6.522 3.301 0.221 108 HA LEU 14 HA LEU 14 4.416 2.856 2.008 109 HB2 LEU 14 HB3 LEU 14 6.693 3.351 2.743 110 HB3 LEU 14 HB2 LEU 14 6.583 4.965 2.082 111 HG LEU 14 HG LEU 14 4.747 5.435 3.719 112 HD11 LEU 14 HD11 LEU 14 4.553 3.943 5.660 113 HD12 LEU 14 HD12 LEU 14 5.597 2.775 4.850 114 HD13 LEU 14 HD13 LEU 14 4.019 3.170 4.169 115 HD21 LEU 14 HD21 LEU 14 7.433 4.622 4.816 116 HD22 LEU 14 HD22 LEU 14 6.268 5.662 5.637 117 HD23 LEU 14 HD23 LEU 14 7.008 6.189 4.126 118 H SER 15 H SER 15 5.216 5.669 -0.025 119 HA SER 15 HA SER 15 3.121 7.341 0.784 120 HB2 SER 15 HB3 SER 15 5.008 8.070 -0.642 121 HB3 SER 15 HB2 SER 15 4.383 7.089 -1.962 122 HG SER 15 HG SER 15 3.192 8.732 -2.461 123 H LYS 16 H LYS 16 3.267 4.845 -1.730 124 HA LYS 16 HA LYS 16 0.593 5.180 -2.615 125 HB2 LYS 16 HB3 LYS 16 2.334 4.032 -3.957 126 HB3 LYS 16 HB2 LYS 16 2.340 2.714 -2.791 127 HG2 LYS 16 HG3 LYS 16 -0.118 2.425 -3.299 128 HG3 LYS 16 HG2 LYS 16 0.130 3.532 -4.649 129 HD2 LYS 16 HD3 LYS 16 1.718 2.034 -5.657 130 HD3 LYS 16 HD2 LYS 16 1.686 0.979 -4.242 131 HE2 LYS 16 HE3 LYS 16 -0.784 0.667 -4.692 132 HE3 LYS 16 HE2 LYS 16 -0.514 1.465 -6.241 133 HZ1 LYS 16 HZ1 LYS 16 0.995 -0.260 -6.874 134 HZ2 LYS 16 HZ2 LYS 16 -0.449 -0.982 -6.356 135 HZ3 LYS 16 HZ3 LYS 16 0.907 -0.978 -5.346 136 H ASN 17 H ASN 17 2.118 3.017 -0.265 137 HA ASN 17 HA ASN 17 -0.036 1.386 0.352 138 HB2 ASN 17 HB3 ASN 17 2.342 1.132 1.165 139 HB3 ASN 17 HB2 ASN 17 2.013 2.402 2.335 140 HD21 ASN 17 HD21 ASN 17 1.467 -0.943 1.510 141 HD22 ASN 17 HD22 ASN 17 0.689 -1.372 2.986 142 H TYR 18 H TYR 18 0.820 4.553 1.702 143 HA TYR 18 HA TYR 18 -1.160 4.705 3.642 144 HB2 TYR 18 HB3 TYR 18 0.670 6.240 3.671 145 HB3 TYR 18 HB2 TYR 18 0.311 6.796 2.038 146 HD1 TYR 18 HD1 TYR 18 -0.971 6.761 5.502 147 HD2 TYR 18 HD2 TYR 18 -1.150 8.570 1.667 148 HE1 TYR 18 HE1 TYR 18 -2.391 8.528 6.407 149 HE2 TYR 18 HE2 TYR 18 -2.567 10.344 2.561 150 HH TYR 18 HH TYR 18 -3.049 10.816 5.920 151 H HIS 19 H HIS 19 -1.175 5.501 0.203 152 HA HIS 19 HA HIS 19 -3.635 6.815 0.061 153 HB2 HIS 19 HB3 HIS 19 -1.989 6.664 -1.811 154 HB3 HIS 19 HB2 HIS 19 -2.458 4.980 -2.040 155 HD1 HIS 19 HD1 HIS 19 -3.754 4.941 -4.152 156 HD2 HIS 19 HD2 HIS 19 -4.816 8.161 -1.751 157 HE1 HIS 19 HE1 HIS 19 -5.686 6.042 -5.318 158 HE2 HIS 19 HE2 HIS 19 -6.218 8.072 -3.922 159 H LEU 20 H LEU 20 -2.895 3.359 -0.349 160 HA LEU 20 HA LEU 20 -5.575 2.626 -0.876 161 HB2 LEU 20 HB3 LEU 20 -3.202 0.981 -0.027 162 HB3 LEU 20 HB2 LEU 20 -4.780 0.301 -0.318 163 HG LEU 20 HG LEU 20 -3.341 -0.041 -2.233 164 HD11 LEU 20 HD11 LEU 20 -4.833 0.746 -3.941 165 HD12 LEU 20 HD12 LEU 20 -5.501 1.955 -2.845 166 HD13 LEU 20 HD13 LEU 20 -5.758 0.239 -2.528 167 HD21 LEU 20 HD21 LEU 20 -2.601 1.798 -3.631 168 HD22 LEU 20 HD22 LEU 20 -1.889 1.894 -2.020 169 HD23 LEU 20 HD23 LEU 20 -3.229 2.953 -2.456 170 H GLU 21 H GLU 21 -3.660 2.713 2.106 171 HA GLU 21 HA GLU 21 -5.444 1.386 3.788 172 HB2 GLU 21 HB3 GLU 21 -3.637 3.727 4.424 173 HB3 GLU 21 HB2 GLU 21 -4.475 2.768 5.631 174 HG2 GLU 21 HG3 GLU 21 -3.229 0.771 4.826 175 HG3 GLU 21 HG2 GLU 21 -2.320 1.832 3.751 176 H ASN 22 H ASN 22 -5.329 4.790 2.829 177 HA ASN 22 HA ASN 22 -7.519 5.627 4.417 178 HB2 ASN 22 HB3 ASN 22 -6.190 6.818 1.989 179 HB3 ASN 22 HB2 ASN 22 -7.563 7.588 2.774 180 HD21 ASN 22 HD21 ASN 22 -6.350 9.386 3.321 181 HD22 ASN 22 HD22 ASN 22 -5.161 9.355 4.578 182 H GLU 23 H GLU 23 -7.248 4.573 1.050 183 HA GLU 23 HA GLU 23 -9.886 5.049 0.250 184 HB2 GLU 23 HB3 GLU 23 -8.048 2.816 -0.641 185 HB3 GLU 23 HB2 GLU 23 -9.490 3.354 -1.490 186 HG2 GLU 23 HG3 GLU 23 -7.005 4.980 -1.008 187 HG3 GLU 23 HG2 GLU 23 -7.480 4.224 -2.527 188 H VAL 24 H VAL 24 -8.406 2.176 1.695 189 HA VAL 24 HA VAL 24 -10.569 0.458 1.698 190 HB VAL 24 HB VAL 24 -8.342 0.741 3.722 191 HG11 VAL 24 HG11 VAL 24 -10.247 -0.365 4.785 192 HG12 VAL 24 HG12 VAL 24 -8.921 -1.497 4.513 193 HG13 VAL 24 HG13 VAL 24 -10.328 -1.515 3.449 194 HG21 VAL 24 HG21 VAL 24 -8.798 -1.134 1.408 195 HG22 VAL 24 HG22 VAL 24 -7.495 -1.291 2.581 196 HG23 VAL 24 HG23 VAL 24 -7.568 0.124 1.531 197 H ALA 25 H ALA 25 -9.609 2.763 4.238 198 HA ALA 25 HA ALA 25 -11.653 2.176 6.052 199 HB1 ALA 25 HB1 ALA 25 -10.232 4.805 5.690 200 HB2 ALA 25 HB2 ALA 25 -9.622 3.431 6.610 201 HB3 ALA 25 HB3 ALA 25 -11.087 4.260 7.133 202 H ARG 26 H ARG 26 -11.568 4.604 3.451 203 HA ARG 26 HA ARG 26 -14.008 5.857 4.103 204 HB2 ARG 26 HB3 ARG 26 -12.725 5.606 1.377 205 HB3 ARG 26 HB2 ARG 26 -13.945 6.781 1.846 206 HG2 ARG 26 HG3 ARG 26 -11.143 6.587 2.907 207 HG3 ARG 26 HG2 ARG 26 -11.765 7.808 1.796 208 HD2 ARG 26 HD2 ARG 26 -13.372 8.507 3.560 209 HD3 ARG 26 HD1 ARG 26 -12.595 7.371 4.661 210 HE ARG 26 HE ARG 26 -10.817 9.296 3.441 211 HH11 ARG 26 HH11 ARG 26 -12.848 8.517 6.180 212 HH12 ARG 26 HH12 ARG 26 -12.108 9.682 7.227 213 HH21 ARG 26 HH21 ARG 26 -9.827 10.829 4.823 214 HH22 ARG 26 HH22 ARG 26 -10.378 10.991 6.458 215 H LEU 27 H LEU 27 -13.208 3.208 1.922 216 HA LEU 27 HA LEU 27 -15.806 2.838 0.893 217 HB2 LEU 27 HB3 LEU 27 -13.495 0.920 1.150 218 HB3 LEU 27 HB2 LEU 27 -14.968 0.561 0.268 219 HG LEU 27 HG LEU 27 -13.156 2.873 -0.377 220 HD11 LEU 27 HD11 LEU 27 -13.310 0.149 -1.639 221 HD12 LEU 27 HD12 LEU 27 -11.958 0.807 -0.718 222 HD13 LEU 27 HD13 LEU 27 -12.396 1.519 -2.269 223 HD21 LEU 27 HD21 LEU 27 -14.389 2.852 -2.516 224 HD22 LEU 27 HD22 LEU 27 -15.421 3.216 -1.132 225 HD23 LEU 27 HD23 LEU 27 -15.455 1.609 -1.858 226 H LYS 28 H LYS 28 -14.241 1.562 3.795 227 HA LYS 28 HA LYS 28 -16.324 -0.238 4.465 228 HB2 LYS 28 HB3 LYS 28 -14.269 1.134 6.209 229 HB3 LYS 28 HB2 LYS 28 -15.376 -0.101 6.790 230 HG2 LYS 28 HG3 LYS 28 -14.399 -1.695 5.179 231 HG3 LYS 28 HG2 LYS 28 -13.255 -0.447 4.680 232 HD2 LYS 28 HD3 LYS 28 -12.302 -0.372 6.896 233 HD3 LYS 28 HD2 LYS 28 -13.530 -1.513 7.492 234 HE2 LYS 28 HE3 LYS 28 -12.658 -3.208 5.925 235 HE3 LYS 28 HE2 LYS 28 -11.405 -2.078 5.420 236 HZ1 LYS 28 HZ1 LYS 28 -11.763 -3.189 8.149 237 HZ2 LYS 28 HZ2 LYS 28 -10.587 -2.056 7.712 238 HZ3 LYS 28 HZ3 LYS 28 -10.552 -3.611 7.049 239 H LYS 29 H LYS 29 -15.685 3.148 5.303 240 HA LYS 29 HA LYS 29 -17.840 3.600 6.992 241 HB2 LYS 29 HB3 LYS 29 -16.081 5.241 6.663 242 HB3 LYS 29 HB2 LYS 29 -16.516 5.425 4.973 243 HG2 LYS 29 HG3 LYS 29 -18.719 6.337 5.719 244 HG3 LYS 29 HG2 LYS 29 -18.106 6.310 7.375 245 HD2 LYS 29 HD3 LYS 29 -16.261 7.779 6.711 246 HD3 LYS 29 HD2 LYS 29 -16.889 7.818 5.062 247 HE2 LYS 29 HE3 LYS 29 -18.969 8.822 5.898 248 HE3 LYS 29 HE2 LYS 29 -18.308 8.809 7.532 249 HZ1 LYS 29 HZ1 LYS 29 -17.254 10.333 5.213 250 HZ2 LYS 29 HZ2 LYS 29 -16.510 10.260 6.730 251 HZ3 LYS 29 HZ3 LYS 29 -18.035 10.973 6.571 252 H LEU 30 H LEU 30 -17.715 3.407 3.485 253 HA LEU 30 HA LEU 30 -20.316 4.424 2.991 254 HB2 LEU 30 HB3 LEU 30 -18.586 2.593 1.330 255 HB3 LEU 30 HB2 LEU 30 -20.067 3.345 0.766 256 HG LEU 30 HG LEU 30 -17.554 4.802 1.596 257 HD11 LEU 30 HD11 LEU 30 -18.797 4.402 -1.122 258 HD12 LEU 30 HD12 LEU 30 -17.345 3.602 -0.528 259 HD13 LEU 30 HD13 LEU 30 -17.353 5.349 -0.765 260 HD21 LEU 30 HD21 LEU 30 -19.512 6.126 2.115 261 HD22 LEU 30 HD22 LEU 30 -20.173 5.830 0.508 262 HD23 LEU 30 HD23 LEU 30 -18.707 6.791 0.696 263 H VAL 31 H VAL 31 -19.104 1.056 2.961 264 HA VAL 31 HA VAL 31 -21.654 -0.128 2.756 265 HB VAL 31 HB VAL 31 -19.181 -1.345 3.999 266 HG11 VAL 31 HG11 VAL 31 -21.587 -2.627 2.711 267 HG12 VAL 31 HG12 VAL 31 -21.193 -2.636 4.429 268 HG13 VAL 31 HG13 VAL 31 -20.152 -3.479 3.282 269 HG21 VAL 31 HG21 VAL 31 -18.700 -2.235 1.765 270 HG22 VAL 31 HG22 VAL 31 -18.656 -0.472 1.796 271 HG23 VAL 31 HG23 VAL 31 -20.052 -1.308 1.114 272 H GLY 32 H GLY 32 -19.755 0.890 5.546 273 HA2 GLY 32 HA3 GLY 32 -21.180 1.582 7.481 274 HA3 GLY 32 HA2 GLY 32 -21.951 0.007 7.306 275 H GLU 33 H GLU 33 -20.683 -1.881 7.646 276 HA GLU 33 HA GLU 33 -19.238 -3.197 8.774 277 HB2 GLU 33 HB3 GLU 33 -17.374 -1.007 7.861 278 HB3 GLU 33 HB2 GLU 33 -16.821 -2.514 8.570 279 HG2 GLU 33 HG3 GLU 33 -18.439 -2.248 6.046 280 HG3 GLU 33 HG2 GLU 33 -16.708 -2.572 6.138 281 H1 GLY 1 H1 GLY 1 20.603 3.200 7.111 282 H2 GLY 1 H2 GLY 1 18.943 3.488 7.254 283 H3 GLY 1 H3 GLY 1 19.685 3.557 5.738 284 HA2 GLY 1 HA2 GLY 1 19.440 1.125 7.413 285 HA3 GLY 1 HA3 GLY 1 18.428 1.503 6.026 286 H SER 2 H SER 2 20.389 -0.708 6.611 287 HA SER 2 HA SER 2 22.568 -0.351 4.795 288 HB2 SER 2 HB3 SER 2 21.425 -2.936 5.879 289 HB3 SER 2 HB2 SER 2 23.032 -2.699 5.196 290 HG SER 2 HG SER 2 22.481 -2.561 7.676 291 H MET 3 H MET 3 22.864 -1.809 2.855 292 HA MET 3 HA MET 3 20.850 -1.217 1.000 293 HB2 MET 3 HB3 MET 3 23.217 -1.566 0.401 294 HB3 MET 3 HB2 MET 3 23.047 -3.279 0.750 295 HG2 MET 3 HG3 MET 3 21.380 -3.467 -1.035 296 HG3 MET 3 HG2 MET 3 21.591 -1.755 -1.397 297 HE1 MET 3 HE1 MET 3 23.852 -0.706 -2.287 298 HE2 MET 3 HE2 MET 3 25.302 -1.643 -2.648 299 HE3 MET 3 HE3 MET 3 24.777 -1.439 -0.976 300 H LYS 4 H LYS 4 21.781 -4.434 2.285 301 HA LYS 4 HA LYS 4 19.624 -5.803 1.099 302 HB2 LYS 4 HB3 LYS 4 20.135 -7.626 2.677 303 HB3 LYS 4 HB2 LYS 4 21.578 -6.999 1.895 304 HG2 LYS 4 HG3 LYS 4 22.155 -5.755 3.890 305 HG3 LYS 4 HG2 LYS 4 20.668 -6.282 4.674 306 HD2 LYS 4 HD3 LYS 4 22.542 -7.610 5.451 307 HD3 LYS 4 HD2 LYS 4 21.432 -8.612 4.518 308 HE2 LYS 4 HE3 LYS 4 22.896 -8.404 2.563 309 HE3 LYS 4 HE2 LYS 4 24.004 -7.406 3.501 310 HZ1 LYS 4 HZ1 LYS 4 24.761 -9.688 3.397 311 HZ2 LYS 4 HZ2 LYS 4 23.309 -10.235 4.070 312 HZ3 LYS 4 HZ3 LYS 4 24.359 -9.280 4.989 313 H GLN 5 H GLN 5 19.869 -3.998 4.073 314 HA GLN 5 HA GLN 5 17.525 -4.967 5.318 315 HB2 GLN 5 HB3 GLN 5 19.201 -3.780 6.599 316 HB3 GLN 5 HB2 GLN 5 18.995 -2.343 5.609 317 HG2 GLN 5 HG3 GLN 5 16.700 -2.112 6.444 318 HG3 GLN 5 HG2 GLN 5 16.943 -3.529 7.465 319 HE21 GLN 5 HE21 GLN 5 16.560 -2.333 9.335 320 HE22 GLN 5 HE22 GLN 5 17.722 -1.210 9.957 321 H LEU 6 H LEU 6 18.175 -2.104 3.320 322 HA LEU 6 HA LEU 6 15.527 -1.119 3.338 323 HB2 LEU 6 HB3 LEU 6 17.775 -0.694 1.374 324 HB3 LEU 6 HB2 LEU 6 16.248 0.159 1.303 325 HG LEU 6 HG LEU 6 18.166 0.297 3.635 326 HD11 LEU 6 HD11 LEU 6 18.686 2.538 2.832 327 HD12 LEU 6 HD12 LEU 6 17.671 2.269 1.415 328 HD13 LEU 6 HD13 LEU 6 19.132 1.310 1.646 329 HD21 LEU 6 HD21 LEU 6 15.869 0.699 4.294 330 HD22 LEU 6 HD22 LEU 6 15.673 1.860 2.983 331 HD23 LEU 6 HD23 LEU 6 16.778 2.210 4.310 332 H GLU 7 H GLU 7 17.232 -3.383 1.302 333 HA GLU 7 HA GLU 7 15.414 -3.717 -0.768 334 HB2 GLU 7 HB3 GLU 7 17.791 -4.741 -0.282 335 HB3 GLU 7 HB2 GLU 7 16.881 -6.037 0.465 336 HG2 GLU 7 HG3 GLU 7 16.697 -5.187 -2.432 337 HG3 GLU 7 HG2 GLU 7 17.560 -6.599 -1.794 338 H ASP 8 H ASP 8 15.590 -5.392 2.369 339 HA ASP 8 HA ASP 8 13.297 -6.982 2.042 340 HB2 ASP 8 HB3 ASP 8 14.950 -6.111 4.354 341 HB3 ASP 8 HB2 ASP 8 13.345 -6.744 4.705 342 H LYS 9 H LYS 9 13.698 -3.790 3.526 343 HA LYS 9 HA LYS 9 11.093 -3.324 4.406 344 HB2 LYS 9 HB3 LYS 9 12.544 -1.127 2.965 345 HB3 LYS 9 HB2 LYS 9 11.496 -1.022 4.368 346 HG2 LYS 9 HG3 LYS 9 14.259 -2.215 4.391 347 HG3 LYS 9 HG2 LYS 9 13.847 -0.585 4.920 348 HD2 LYS 9 HD3 LYS 9 12.904 -3.181 6.143 349 HD3 LYS 9 HD2 LYS 9 14.056 -2.045 6.835 350 HE2 LYS 9 HE3 LYS 9 11.146 -1.481 6.275 351 HE3 LYS 9 HE2 LYS 9 11.844 -1.823 7.853 352 HZ1 LYS 9 HZ1 LYS 9 13.175 0.179 7.668 353 HZ2 LYS 9 HZ2 LYS 9 11.534 0.543 7.516 354 HZ3 LYS 9 HZ3 LYS 9 12.520 0.509 6.146 355 H VAL 10 H VAL 10 12.418 -2.745 1.181 356 HA VAL 10 HA VAL 10 10.207 -1.549 -0.037 357 HB VAL 10 HB VAL 10 12.189 -3.436 -1.328 358 HG11 VAL 10 HG11 VAL 10 11.627 -2.259 -3.401 359 HG12 VAL 10 HG12 VAL 10 10.413 -1.319 -2.534 360 HG13 VAL 10 HG13 VAL 10 10.219 -3.063 -2.709 361 HG21 VAL 10 HG21 VAL 10 13.363 -1.633 -0.242 362 HG22 VAL 10 HG22 VAL 10 12.274 -0.447 -0.961 363 HG23 VAL 10 HG23 VAL 10 13.375 -1.367 -1.987 364 H GLU 11 H GLU 11 11.121 -4.848 0.506 365 HA GLU 11 HA GLU 11 8.964 -6.047 -0.939 366 HB2 GLU 11 HB3 GLU 11 10.863 -7.159 1.122 367 HB3 GLU 11 HB2 GLU 11 9.669 -8.132 0.276 368 HG2 GLU 11 HG3 GLU 11 11.870 -6.565 -1.049 369 HG3 GLU 11 HG2 GLU 11 11.918 -8.293 -0.702 370 H GLU 12 H GLU 12 9.525 -5.513 2.574 371 HA GLU 12 HA GLU 12 7.235 -6.781 3.523 372 HB2 GLU 12 HB3 GLU 12 8.533 -4.283 4.624 373 HB3 GLU 12 HB2 GLU 12 7.425 -5.329 5.500 374 HG2 GLU 12 HG3 GLU 12 9.040 -7.173 5.289 375 HG3 GLU 12 HG2 GLU 12 10.155 -6.077 4.476 376 H LEU 13 H LEU 13 7.589 -3.302 2.939 377 HA LEU 13 HA LEU 13 4.935 -2.573 3.269 378 HB2 LEU 13 HB3 LEU 13 7.061 -1.334 1.534 379 HB3 LEU 13 HB2 LEU 13 5.512 -0.584 1.872 380 HG LEU 13 HG LEU 13 7.603 -1.270 3.942 381 HD11 LEU 13 HD11 LEU 13 8.319 0.552 2.514 382 HD12 LEU 13 HD12 LEU 13 7.884 1.160 4.112 383 HD13 LEU 13 HD13 LEU 13 6.777 1.371 2.756 384 HD21 LEU 13 HD21 LEU 13 5.372 -1.390 4.873 385 HD22 LEU 13 HD22 LEU 13 4.965 0.174 4.169 386 HD23 LEU 13 HD23 LEU 13 6.178 0.070 5.443 387 H LEU 14 H LEU 14 6.553 -3.693 0.319 388 HA LEU 14 HA LEU 14 4.416 -3.293 -1.440 389 HB2 LEU 14 HB3 LEU 14 6.686 -3.770 -2.203 390 HB3 LEU 14 HB2 LEU 14 6.604 -5.379 -1.524 391 HG LEU 14 HG LEU 14 4.746 -5.887 -3.128 392 HD11 LEU 14 HD11 LEU 14 4.516 -4.413 -5.083 393 HD12 LEU 14 HD12 LEU 14 5.556 -3.228 -4.295 394 HD13 LEU 14 HD13 LEU 14 3.992 -3.635 -3.592 395 HD21 LEU 14 HD21 LEU 14 7.408 -5.060 -4.271 396 HD22 LEU 14 HD22 LEU 14 6.242 -6.114 -5.069 397 HD23 LEU 14 HD23 LEU 14 7.008 -6.624 -3.564 398 H SER 15 H SER 15 5.279 -6.088 0.597 399 HA SER 15 HA SER 15 3.187 -7.778 -0.169 400 HB2 SER 15 HB3 SER 15 5.103 -8.489 1.223 401 HB3 SER 15 HB2 SER 15 4.494 -7.508 2.554 402 HG SER 15 HG SER 15 3.320 -9.156 3.073 403 H LYS 16 H LYS 16 3.339 -5.256 2.315 404 HA LYS 16 HA LYS 16 0.687 -5.625 3.254 405 HB2 LYS 16 HB3 LYS 16 2.430 -4.449 4.561 406 HB3 LYS 16 HB2 LYS 16 2.410 -3.140 3.386 407 HG2 LYS 16 HG3 LYS 16 -0.045 -2.873 3.921 408 HG3 LYS 16 HG2 LYS 16 0.233 -3.963 5.278 409 HD2 LYS 16 HD3 LYS 16 1.816 -2.439 6.251 410 HD3 LYS 16 HD2 LYS 16 1.752 -1.397 4.828 411 HE2 LYS 16 HE3 LYS 16 -0.712 -1.108 5.309 412 HE3 LYS 16 HE2 LYS 16 -0.417 -1.898 6.855 413 HZ1 LYS 16 HZ1 LYS 16 1.089 -0.166 7.466 414 HZ2 LYS 16 HZ2 LYS 16 -0.372 0.542 6.975 415 HZ3 LYS 16 HZ3 LYS 16 0.968 0.557 5.941 416 H ASN 17 H ASN 17 2.151 -3.467 0.862 417 HA ASN 17 HA ASN 17 -0.034 -1.864 0.270 418 HB2 ASN 17 HB3 ASN 17 2.328 -1.585 -0.579 419 HB3 ASN 17 HB2 ASN 17 1.999 -2.866 -1.737 420 HD21 ASN 17 HD21 ASN 17 1.427 0.476 -0.927 421 HD22 ASN 17 HD22 ASN 17 0.617 0.886 -2.390 422 H TYR 18 H TYR 18 0.842 -5.036 -1.057 423 HA TYR 18 HA TYR 18 -1.159 -5.224 -2.975 424 HB2 TYR 18 HB3 TYR 18 0.685 -6.742 -3.018 425 HB3 TYR 18 HB2 TYR 18 0.356 -7.288 -1.376 426 HD1 TYR 18 HD1 TYR 18 -0.970 -7.295 -4.822 427 HD2 TYR 18 HD2 TYR 18 -1.088 -9.071 -0.971 428 HE1 TYR 18 HE1 TYR 18 -2.389 -9.079 -5.695 429 HE2 TYR 18 HE2 TYR 18 -2.503 -10.863 -1.831 430 HH TYR 18 HH TYR 18 -3.013 -11.376 -5.174 431 H HIS 19 H HIS 19 -1.122 -5.996 0.468 432 HA HIS 19 HA HIS 19 -3.564 -7.336 0.652 433 HB2 HIS 19 HB3 HIS 19 -1.892 -7.155 2.501 434 HB3 HIS 19 HB2 HIS 19 -2.375 -5.471 2.723 435 HD1 HIS 19 HD1 HIS 19 -3.633 -5.431 4.864 436 HD2 HIS 19 HD2 HIS 19 -4.714 -8.669 2.488 437 HE1 HIS 19 HE1 HIS 19 -5.546 -6.539 6.058 438 HE2 HIS 19 HE2 HIS 19 -6.071 -8.585 4.687 439 H LEU 20 H LEU 20 -2.859 -3.868 1.031 440 HA LEU 20 HA LEU 20 -5.540 -3.163 1.584 441 HB2 LEU 20 HB3 LEU 20 -3.199 -1.499 0.691 442 HB3 LEU 20 HB2 LEU 20 -4.782 -0.834 0.989 443 HG LEU 20 HG LEU 20 -3.334 -0.450 2.885 444 HD11 LEU 20 HD11 LEU 20 -4.787 -1.248 4.619 445 HD12 LEU 20 HD12 LEU 20 -5.447 -2.479 3.545 446 HD13 LEU 20 HD13 LEU 20 -5.741 -0.774 3.215 447 HD21 LEU 20 HD21 LEU 20 -2.557 -2.249 4.296 448 HD22 LEU 20 HD22 LEU 20 -1.853 -2.358 2.683 449 HD23 LEU 20 HD23 LEU 20 -3.172 -3.434 3.145 450 H GLU 21 H GLU 21 -3.672 -3.253 -1.426 451 HA GLU 21 HA GLU 21 -5.510 -1.972 -3.094 452 HB2 GLU 21 HB3 GLU 21 -3.669 -4.281 -3.737 453 HB3 GLU 21 HB2 GLU 21 -4.533 -3.341 -4.941 454 HG2 GLU 21 HG3 GLU 21 -3.300 -1.327 -4.174 455 HG3 GLU 21 HG2 GLU 21 -2.376 -2.362 -3.084 456 H ASN 22 H ASN 22 -5.321 -5.351 -2.098 457 HA ASN 22 HA ASN 22 -7.517 -6.237 -3.655 458 HB2 ASN 22 HB3 ASN 22 -6.139 -7.381 -1.231 459 HB3 ASN 22 HB2 ASN 22 -7.508 -8.180 -1.996 460 HD21 ASN 22 HD21 ASN 22 -6.277 -9.958 -2.532 461 HD22 ASN 22 HD22 ASN 22 -5.103 -9.925 -3.802 462 H GLU 23 H GLU 23 -7.212 -5.147 -0.301 463 HA GLU 23 HA GLU 23 -9.833 -5.646 0.537 464 HB2 GLU 23 HB3 GLU 23 -8.010 -3.385 1.384 465 HB3 GLU 23 HB2 GLU 23 -9.435 -3.931 2.257 466 HG2 GLU 23 HG3 GLU 23 -6.936 -5.530 1.757 467 HG3 GLU 23 HG2 GLU 23 -7.407 -4.772 3.278 468 H VAL 24 H VAL 24 -8.412 -2.767 -0.950 469 HA VAL 24 HA VAL 24 -10.593 -1.076 -0.933 470 HB VAL 24 HB VAL 24 -8.393 -1.348 -2.988 471 HG11 VAL 24 HG11 VAL 24 -10.325 -0.273 -4.031 472 HG12 VAL 24 HG12 VAL 24 -9.009 0.875 -3.788 473 HG13 VAL 24 HG13 VAL 24 -10.400 0.886 -2.705 474 HG21 VAL 24 HG21 VAL 24 -8.837 0.541 -0.683 475 HG22 VAL 24 HG22 VAL 24 -7.549 0.699 -1.873 476 HG23 VAL 24 HG23 VAL 24 -7.597 -0.707 -0.810 477 H ALA 25 H ALA 25 -9.641 -3.383 -3.470 478 HA ALA 25 HA ALA 25 -11.719 -2.842 -5.258 479 HB1 ALA 25 HB1 ALA 25 -10.257 -5.448 -4.897 480 HB2 ALA 25 HB2 ALA 25 -9.679 -4.072 -5.835 481 HB3 ALA 25 HB3 ALA 25 -11.139 -4.925 -6.331 482 H ARG 26 H ARG 26 -11.563 -5.245 -2.637 483 HA ARG 26 HA ARG 26 -13.997 -6.537 -3.248 484 HB2 ARG 26 HB3 ARG 26 -12.675 -6.245 -0.545 485 HB3 ARG 26 HB2 ARG 26 -13.889 -7.439 -0.982 486 HG2 ARG 26 HG3 ARG 26 -11.108 -7.223 -2.091 487 HG3 ARG 26 HG2 ARG 26 -11.701 -8.443 -0.962 488 HD2 ARG 26 HD2 ARG 26 -13.332 -9.166 -2.693 489 HD3 ARG 26 HD1 ARG 26 -12.580 -8.031 -3.813 490 HE ARG 26 HE ARG 26 -10.773 -9.932 -2.603 491 HH11 ARG 26 HH11 ARG 26 -12.842 -9.196 -5.329 492 HH12 ARG 26 HH12 ARG 26 -12.099 -10.365 -6.372 493 HH21 ARG 26 HH21 ARG 26 -9.777 -11.461 -3.990 494 HH22 ARG 26 HH22 ARG 26 -10.343 -11.635 -5.616 495 H LEU 27 H LEU 27 -13.201 -3.859 -1.103 496 HA LEU 27 HA LEU 27 -15.788 -3.513 -0.039 497 HB2 LEU 27 HB3 LEU 27 -13.504 -1.569 -0.345 498 HB3 LEU 27 HB2 LEU 27 -14.970 -1.221 0.555 499 HG LEU 27 HG LEU 27 -13.118 -3.505 1.193 500 HD11 LEU 27 HD11 LEU 27 -13.291 -0.776 2.442 501 HD12 LEU 27 HD12 LEU 27 -11.944 -1.422 1.504 502 HD13 LEU 27 HD13 LEU 27 -12.350 -2.131 3.065 503 HD21 LEU 27 HD21 LEU 27 -14.323 -3.491 3.347 504 HD22 LEU 27 HD22 LEU 27 -15.368 -3.875 1.981 505 HD23 LEU 27 HD23 LEU 27 -15.413 -2.265 2.701 506 H LYS 28 H LYS 28 -14.283 -2.243 -2.974 507 HA LYS 28 HA LYS 28 -16.395 -0.470 -3.623 508 HB2 LYS 28 HB3 LYS 28 -14.350 -1.836 -5.387 509 HB3 LYS 28 HB2 LYS 28 -15.478 -0.619 -5.963 510 HG2 LYS 28 HG3 LYS 28 -14.503 0.992 -4.374 511 HG3 LYS 28 HG2 LYS 28 -13.334 -0.233 -3.886 512 HD2 LYS 28 HD3 LYS 28 -12.416 -0.308 -6.119 513 HD3 LYS 28 HD2 LYS 28 -13.667 0.813 -6.702 514 HE2 LYS 28 HE3 LYS 28 -12.789 2.533 -5.170 515 HE3 LYS 28 HE2 LYS 28 -11.523 1.420 -4.660 516 HZ1 LYS 28 HZ1 LYS 28 -11.909 2.494 -7.399 517 HZ2 LYS 28 HZ2 LYS 28 -10.723 1.373 -6.956 518 HZ3 LYS 28 HZ3 LYS 28 -10.690 2.936 -6.312 519 H LYS 29 H LYS 29 -15.723 -3.843 -4.466 520 HA LYS 29 HA LYS 29 -17.900 -4.348 -6.103 521 HB2 LYS 29 HB3 LYS 29 -16.113 -5.961 -5.784 522 HB3 LYS 29 HB2 LYS 29 -16.524 -6.139 -4.088 523 HG2 LYS 29 HG3 LYS 29 -18.721 -7.088 -4.796 524 HG3 LYS 29 HG2 LYS 29 -18.135 -7.061 -6.461 525 HD2 LYS 29 HD3 LYS 29 -16.262 -8.504 -5.818 526 HD3 LYS 29 HD2 LYS 29 -16.864 -8.540 -4.162 527 HE2 LYS 29 HE3 LYS 29 -18.950 -9.570 -4.964 528 HE3 LYS 29 HE2 LYS 29 -18.301 -9.574 -6.603 529 HZ1 LYS 29 HZ1 LYS 29 -17.220 -11.056 -4.269 530 HZ2 LYS 29 HZ2 LYS 29 -16.479 -10.996 -5.788 531 HZ3 LYS 29 HZ3 LYS 29 -17.997 -11.720 -5.617 532 H LEU 30 H LEU 30 -17.728 -4.119 -2.602 533 HA LEU 30 HA LEU 30 -20.305 -5.174 -2.063 534 HB2 LEU 30 HB3 LEU 30 -18.578 -3.303 -0.443 535 HB3 LEU 30 HB2 LEU 30 -20.042 -4.066 0.147 536 HG LEU 30 HG LEU 30 -17.525 -5.506 -0.701 537 HD11 LEU 30 HD11 LEU 30 -18.734 -5.097 2.030 538 HD12 LEU 30 HD12 LEU 30 -17.300 -4.281 1.409 539 HD13 LEU 30 HD13 LEU 30 -17.283 -6.026 1.659 540 HD21 LEU 30 HD21 LEU 30 -19.476 -6.851 -1.180 541 HD22 LEU 30 HD22 LEU 30 -20.119 -6.546 0.434 542 HD23 LEU 30 HD23 LEU 30 -18.645 -7.493 0.236 543 H VAL 31 H VAL 31 -19.136 -1.791 -2.077 544 HA VAL 31 HA VAL 31 -21.699 -0.636 -1.844 545 HB VAL 31 HB VAL 31 -19.256 0.605 -3.131 546 HG11 VAL 31 HG11 VAL 31 -21.661 1.865 -1.818 547 HG12 VAL 31 HG12 VAL 31 -21.294 1.864 -3.543 548 HG13 VAL 31 HG13 VAL 31 -20.248 2.732 -2.420 549 HG21 VAL 31 HG21 VAL 31 -18.759 1.518 -0.910 550 HG22 VAL 31 HG22 VAL 31 -18.694 -0.244 -0.928 551 HG23 VAL 31 HG23 VAL 31 -20.091 0.579 -0.234 552 H GLY 32 H GLY 32 -19.829 -1.659 -4.652 553 HA2 GLY 32 HA3 GLY 32 -21.272 -2.378 -6.561 554 HA3 GLY 32 HA2 GLY 32 -22.055 -0.810 -6.387 555 H GLU 33 H GLU 33 -20.827 1.081 -6.770 556 HA GLU 33 HA GLU 33 -19.407 2.414 -7.914 557 HB2 GLU 33 HB3 GLU 33 -17.503 0.259 -7.011 558 HB3 GLU 33 HB2 GLU 33 -16.981 1.769 -7.735 559 HG2 GLU 33 HG3 GLU 33 -18.557 1.488 -5.189 560 HG3 GLU 33 HG2 GLU 33 -16.834 1.839 -5.306 Start of MODEL 7 1 H1 GLY 1 H1 GLY 1 27.705 1.231 -3.312 2 H2 GLY 1 H2 GLY 1 27.014 2.269 -4.454 3 H3 GLY 1 H3 GLY 1 26.722 0.604 -4.536 4 HA2 GLY 1 HA2 GLY 1 25.528 0.668 -2.455 5 HA3 GLY 1 HA3 GLY 1 25.851 2.391 -2.342 6 H SER 2 H SER 2 23.286 1.337 -2.274 7 HA SER 2 HA SER 2 22.170 2.480 -4.738 8 HB2 SER 2 HB3 SER 2 21.042 0.053 -3.317 9 HB3 SER 2 HB2 SER 2 20.463 0.764 -4.823 10 HG SER 2 HG SER 2 22.276 0.062 -5.862 11 H MET 3 H MET 3 22.684 3.694 -2.230 12 HA MET 3 HA MET 3 20.477 3.524 -0.472 13 HB2 MET 3 HB3 MET 3 22.799 5.411 -0.698 14 HB3 MET 3 HB2 MET 3 21.523 5.675 0.481 15 HG2 MET 3 HG3 MET 3 23.410 4.510 1.473 16 HG3 MET 3 HG2 MET 3 21.968 3.502 1.478 17 HE1 MET 3 HE1 MET 3 24.651 2.180 2.108 18 HE2 MET 3 HE2 MET 3 24.691 0.780 1.036 19 HE3 MET 3 HE3 MET 3 23.192 1.219 1.856 20 H LYS 4 H LYS 4 21.365 5.903 -2.964 21 HA LYS 4 HA LYS 4 19.140 7.575 -2.578 22 HB2 LYS 4 HB3 LYS 4 19.514 8.311 -4.913 23 HB3 LYS 4 HB2 LYS 4 20.992 8.291 -3.964 24 HG2 LYS 4 HG3 LYS 4 21.661 6.203 -5.003 25 HG3 LYS 4 HG2 LYS 4 20.154 6.155 -5.915 26 HD2 LYS 4 HD3 LYS 4 22.197 8.363 -6.120 27 HD3 LYS 4 HD2 LYS 4 22.114 6.985 -7.216 28 HE2 LYS 4 HE3 LYS 4 19.841 7.637 -7.855 29 HE3 LYS 4 HE2 LYS 4 19.933 9.020 -6.765 30 HZ1 LYS 4 HZ1 LYS 4 21.721 8.572 -9.091 31 HZ2 LYS 4 HZ2 LYS 4 21.716 9.926 -8.081 32 HZ3 LYS 4 HZ3 LYS 4 20.390 9.612 -9.080 33 H GLN 5 H GLN 5 19.486 4.516 -4.216 34 HA GLN 5 HA GLN 5 17.143 4.744 -5.802 35 HB2 GLN 5 HB3 GLN 5 18.785 2.322 -5.064 36 HB3 GLN 5 HB2 GLN 5 17.493 2.331 -6.256 37 HG2 GLN 5 HG3 GLN 5 20.088 3.850 -6.383 38 HG3 GLN 5 HG2 GLN 5 19.605 2.477 -7.378 39 HE21 GLN 5 HE21 GLN 5 18.047 2.779 -8.993 40 HE22 GLN 5 HE22 GLN 5 17.648 4.354 -9.589 41 H LEU 6 H LEU 6 17.862 2.843 -2.830 42 HA LEU 6 HA LEU 6 15.185 1.852 -2.826 43 HB2 LEU 6 HB3 LEU 6 15.679 0.544 -0.998 44 HB3 LEU 6 HB2 LEU 6 17.211 0.659 -1.817 45 HG LEU 6 HG LEU 6 17.638 0.737 0.502 46 HD11 LEU 6 HD11 LEU 6 18.689 2.887 0.853 47 HD12 LEU 6 HD12 LEU 6 17.833 3.529 -0.549 48 HD13 LEU 6 HD13 LEU 6 19.012 2.231 -0.751 49 HD21 LEU 6 HD21 LEU 6 15.424 1.288 1.311 50 HD22 LEU 6 HD22 LEU 6 15.623 2.953 0.760 51 HD23 LEU 6 HD23 LEU 6 16.646 2.325 2.052 52 H GLU 7 H GLU 7 16.714 4.645 -1.454 53 HA GLU 7 HA GLU 7 14.817 5.268 0.508 54 HB2 GLU 7 HB3 GLU 7 16.636 6.979 -1.164 55 HB3 GLU 7 HB2 GLU 7 15.513 7.694 -0.016 56 HG2 GLU 7 HG3 GLU 7 17.646 5.675 0.658 57 HG3 GLU 7 HG2 GLU 7 17.769 7.433 0.906 58 H ASP 8 H ASP 8 14.859 5.923 -2.972 59 HA ASP 8 HA ASP 8 12.388 7.333 -2.960 60 HB2 ASP 8 HB3 ASP 8 14.023 6.024 -5.100 61 HB3 ASP 8 HB2 ASP 8 12.385 6.561 -5.459 62 H LYS 9 H LYS 9 13.213 3.982 -3.743 63 HA LYS 9 HA LYS 9 10.620 3.091 -4.344 64 HB2 LYS 9 HB3 LYS 9 12.551 1.249 -2.950 65 HB3 LYS 9 HB2 LYS 9 11.366 0.881 -4.194 66 HG2 LYS 9 HG3 LYS 9 12.730 2.264 -5.794 67 HG3 LYS 9 HG2 LYS 9 13.987 2.301 -4.559 68 HD2 LYS 9 HD3 LYS 9 12.808 -0.215 -5.733 69 HD3 LYS 9 HD2 LYS 9 14.310 0.530 -6.275 70 HE2 LYS 9 HE3 LYS 9 15.250 0.234 -4.024 71 HE3 LYS 9 HE2 LYS 9 13.751 -0.537 -3.508 72 HZ1 LYS 9 HZ1 LYS 9 15.520 -1.541 -5.671 73 HZ2 LYS 9 HZ2 LYS 9 14.133 -2.303 -5.081 74 HZ3 LYS 9 HZ3 LYS 9 15.493 -2.141 -4.092 75 H VAL 10 H VAL 10 12.308 2.954 -1.219 76 HA VAL 10 HA VAL 10 10.278 1.545 0.160 77 HB VAL 10 HB VAL 10 12.674 1.791 0.917 78 HG11 VAL 10 HG11 VAL 10 11.715 4.480 1.892 79 HG12 VAL 10 HG12 VAL 10 12.932 4.193 0.650 80 HG13 VAL 10 HG13 VAL 10 13.246 3.718 2.317 81 HG21 VAL 10 HG21 VAL 10 11.006 0.814 2.362 82 HG22 VAL 10 HG22 VAL 10 10.493 2.411 2.905 83 HG23 VAL 10 HG23 VAL 10 12.101 1.816 3.314 84 H GLU 11 H GLU 11 10.894 4.865 -0.555 85 HA GLU 11 HA GLU 11 8.860 5.967 1.150 86 HB2 GLU 11 HB3 GLU 11 10.884 7.205 0.352 87 HB3 GLU 11 HB2 GLU 11 10.173 7.239 -1.254 88 HG2 GLU 11 HG3 GLU 11 9.780 9.339 -0.204 89 HG3 GLU 11 HG2 GLU 11 8.245 8.481 -0.319 90 H GLU 12 H GLU 12 9.073 5.408 -2.384 91 HA GLU 12 HA GLU 12 6.621 6.494 -3.115 92 HB2 GLU 12 HB3 GLU 12 8.369 5.865 -4.713 93 HB3 GLU 12 HB2 GLU 12 8.102 4.166 -4.351 94 HG2 GLU 12 HG3 GLU 12 5.778 4.416 -5.198 95 HG3 GLU 12 HG2 GLU 12 6.188 6.058 -5.692 96 H LEU 13 H LEU 13 7.354 3.055 -2.648 97 HA LEU 13 HA LEU 13 4.854 1.965 -2.742 98 HB2 LEU 13 HB3 LEU 13 7.116 1.233 -0.889 99 HB3 LEU 13 HB2 LEU 13 5.697 0.240 -1.150 100 HG LEU 13 HG LEU 13 7.719 0.984 -3.266 101 HD11 LEU 13 HD11 LEU 13 8.347 -1.380 -3.157 102 HD12 LEU 13 HD12 LEU 13 7.230 -1.612 -1.813 103 HD13 LEU 13 HD13 LEU 13 8.631 -0.559 -1.623 104 HD21 LEU 13 HD21 LEU 13 5.311 -0.832 -3.355 105 HD22 LEU 13 HD22 LEU 13 6.527 -0.696 -4.624 106 HD23 LEU 13 HD23 LEU 13 5.513 0.689 -4.225 107 H LEU 14 H LEU 14 6.429 3.253 0.182 108 HA LEU 14 HA LEU 14 4.329 2.768 1.947 109 HB2 LEU 14 HB3 LEU 14 6.576 3.302 2.705 110 HB3 LEU 14 HB2 LEU 14 6.450 4.914 2.031 111 HG LEU 14 HG LEU 14 4.673 5.447 3.661 112 HD11 LEU 14 HD11 LEU 14 5.271 2.693 4.728 113 HD12 LEU 14 HD12 LEU 14 3.746 3.253 4.042 114 HD13 LEU 14 HD13 LEU 14 4.325 3.920 5.567 115 HD21 LEU 14 HD21 LEU 14 7.019 5.961 4.144 116 HD22 LEU 14 HD22 LEU 14 7.203 4.383 4.907 117 HD23 LEU 14 HD23 LEU 14 6.117 5.582 5.610 118 H SER 15 H SER 15 4.991 5.578 -0.123 119 HA SER 15 HA SER 15 2.851 7.173 0.757 120 HB2 SER 15 HB3 SER 15 4.715 7.903 -0.771 121 HB3 SER 15 HB2 SER 15 3.931 7.005 -2.068 122 HG SER 15 HG SER 15 2.845 8.768 -2.371 123 H LYS 16 H LYS 16 3.037 4.559 -1.592 124 HA LYS 16 HA LYS 16 0.343 4.792 -2.481 125 HB2 LYS 16 HB3 LYS 16 2.106 3.698 -3.818 126 HB3 LYS 16 HB2 LYS 16 2.225 2.426 -2.614 127 HG2 LYS 16 HG3 LYS 16 -0.071 1.744 -3.100 128 HG3 LYS 16 HG2 LYS 16 -0.194 3.029 -4.305 129 HD2 LYS 16 HD3 LYS 16 1.569 2.013 -5.619 130 HD3 LYS 16 HD2 LYS 16 1.829 0.792 -4.377 131 HE2 LYS 16 HE3 LYS 16 -0.477 -0.032 -4.765 132 HE3 LYS 16 HE2 LYS 16 -0.645 1.129 -6.081 133 HZ1 LYS 16 HZ1 LYS 16 1.232 0.053 -7.187 134 HZ2 LYS 16 HZ2 LYS 16 -0.047 -1.022 -6.939 135 HZ3 LYS 16 HZ3 LYS 16 1.320 -1.092 -5.948 136 H ASN 17 H ASN 17 1.979 2.828 0.009 137 HA ASN 17 HA ASN 17 -0.179 1.304 0.876 138 HB2 ASN 17 HB3 ASN 17 1.996 2.599 2.546 139 HB3 ASN 17 HB2 ASN 17 0.845 1.438 3.185 140 HD21 ASN 17 HD21 ASN 17 1.064 -0.780 2.575 141 HD22 ASN 17 HD22 ASN 17 2.518 -1.361 1.847 142 H TYR 18 H TYR 18 0.795 4.543 1.962 143 HA TYR 18 HA TYR 18 -1.202 5.119 3.736 144 HB2 TYR 18 HB3 TYR 18 0.868 6.482 2.823 145 HB3 TYR 18 HB2 TYR 18 -0.356 7.224 1.796 146 HD1 TYR 18 HD1 TYR 18 0.557 6.548 5.305 147 HD2 TYR 18 HD2 TYR 18 -1.781 8.899 2.648 148 HE1 TYR 18 HE1 TYR 18 -0.051 8.016 7.158 149 HE2 TYR 18 HE2 TYR 18 -2.401 10.385 4.503 150 HH TYR 18 HH TYR 18 -2.550 10.341 6.939 151 H HIS 19 H HIS 19 -1.248 5.717 0.231 152 HA HIS 19 HA HIS 19 -3.821 6.824 0.116 153 HB2 HIS 19 HB3 HIS 19 -2.043 5.529 -1.919 154 HB3 HIS 19 HB2 HIS 19 -3.695 5.961 -2.345 155 HD1 HIS 19 HD1 HIS 19 -4.212 8.417 -2.716 156 HD2 HIS 19 HD2 HIS 19 -0.328 7.739 -1.407 157 HE1 HIS 19 HE1 HIS 19 -3.011 10.607 -3.005 158 HE2 HIS 19 HE2 HIS 19 -0.628 10.133 -2.340 159 H LEU 20 H LEU 20 -2.772 3.474 -0.506 160 HA LEU 20 HA LEU 20 -5.339 2.472 -1.083 161 HB2 LEU 20 HB3 LEU 20 -2.956 1.014 0.055 162 HB3 LEU 20 HB2 LEU 20 -4.372 0.256 -0.640 163 HG LEU 20 HG LEU 20 -2.475 2.040 -2.164 164 HD11 LEU 20 HD11 LEU 20 -1.755 -0.064 -3.238 165 HD12 LEU 20 HD12 LEU 20 -2.711 -0.959 -2.058 166 HD13 LEU 20 HD13 LEU 20 -1.343 0.016 -1.526 167 HD21 LEU 20 HD21 LEU 20 -4.718 2.066 -3.083 168 HD22 LEU 20 HD22 LEU 20 -4.770 0.305 -3.065 169 HD23 LEU 20 HD23 LEU 20 -3.644 1.142 -4.133 170 H GLU 21 H GLU 21 -3.510 2.661 1.918 171 HA GLU 21 HA GLU 21 -5.250 1.172 3.540 172 HB2 GLU 21 HB3 GLU 21 -2.808 2.177 3.899 173 HB3 GLU 21 HB2 GLU 21 -3.701 3.481 4.657 174 HG2 GLU 21 HG3 GLU 21 -3.827 0.581 5.486 175 HG3 GLU 21 HG2 GLU 21 -2.830 1.820 6.241 176 H ASN 22 H ASN 22 -5.131 4.617 2.748 177 HA ASN 22 HA ASN 22 -7.277 5.391 4.430 178 HB2 ASN 22 HB3 ASN 22 -6.123 6.665 1.948 179 HB3 ASN 22 HB2 ASN 22 -7.414 7.397 2.892 180 HD21 ASN 22 HD21 ASN 22 -6.272 6.390 5.428 181 HD22 ASN 22 HD22 ASN 22 -4.915 7.415 5.750 182 H GLU 23 H GLU 23 -7.117 4.369 1.042 183 HA GLU 23 HA GLU 23 -9.816 4.823 0.410 184 HB2 GLU 23 HB3 GLU 23 -7.828 2.857 -0.721 185 HB3 GLU 23 HB2 GLU 23 -9.440 3.088 -1.383 186 HG2 GLU 23 HG3 GLU 23 -7.277 5.170 -1.195 187 HG3 GLU 23 HG2 GLU 23 -7.803 4.331 -2.654 188 H VAL 24 H VAL 24 -8.185 2.054 1.876 189 HA VAL 24 HA VAL 24 -10.306 0.246 1.848 190 HB VAL 24 HB VAL 24 -8.212 0.569 4.009 191 HG11 VAL 24 HG11 VAL 24 -10.080 -0.750 4.806 192 HG12 VAL 24 HG12 VAL 24 -8.697 -1.802 4.505 193 HG13 VAL 24 HG13 VAL 24 -10.030 -1.748 3.354 194 HG21 VAL 24 HG21 VAL 24 -7.223 0.208 1.815 195 HG22 VAL 24 HG22 VAL 24 -8.266 -1.190 1.557 196 HG23 VAL 24 HG23 VAL 24 -7.035 -1.228 2.819 197 H ALA 25 H ALA 25 -9.328 2.404 4.527 198 HA ALA 25 HA ALA 25 -11.565 2.038 6.149 199 HB1 ALA 25 HB1 ALA 25 -10.928 4.105 7.252 200 HB2 ALA 25 HB2 ALA 25 -9.905 4.542 5.884 201 HB3 ALA 25 HB3 ALA 25 -9.499 3.142 6.879 202 H ARG 26 H ARG 26 -11.018 4.414 3.587 203 HA ARG 26 HA ARG 26 -13.278 5.978 3.772 204 HB2 ARG 26 HB3 ARG 26 -11.409 6.400 2.254 205 HB3 ARG 26 HB2 ARG 26 -11.838 4.988 1.306 206 HG2 ARG 26 HG3 ARG 26 -13.972 6.078 0.714 207 HG3 ARG 26 HG2 ARG 26 -13.445 7.516 1.596 208 HD2 ARG 26 HD2 ARG 26 -11.473 7.663 0.134 209 HD3 ARG 26 HD1 ARG 26 -12.048 6.263 -0.767 210 HE ARG 26 HE ARG 26 -13.986 8.357 -0.668 211 HH11 ARG 26 HH11 ARG 26 -11.093 7.241 -2.312 212 HH12 ARG 26 HH12 ARG 26 -11.415 8.157 -3.754 213 HH21 ARG 26 HH21 ARG 26 -14.409 9.548 -2.572 214 HH22 ARG 26 HH22 ARG 26 -13.302 9.459 -3.907 215 H LEU 27 H LEU 27 -12.883 3.044 1.790 216 HA LEU 27 HA LEU 27 -15.561 2.960 0.917 217 HB2 LEU 27 HB3 LEU 27 -13.406 0.864 1.038 218 HB3 LEU 27 HB2 LEU 27 -14.976 0.571 0.308 219 HG LEU 27 HG LEU 27 -13.152 2.791 -0.570 220 HD11 LEU 27 HD11 LEU 27 -13.411 0.025 -1.709 221 HD12 LEU 27 HD12 LEU 27 -12.006 0.684 -0.873 222 HD13 LEU 27 HD13 LEU 27 -12.503 1.357 -2.425 223 HD21 LEU 27 HD21 LEU 27 -15.521 1.465 -1.872 224 HD22 LEU 27 HD22 LEU 27 -14.524 2.726 -2.598 225 HD23 LEU 27 HD23 LEU 27 -15.491 3.080 -1.166 226 H LYS 28 H LYS 28 -14.003 1.617 3.767 227 HA LYS 28 HA LYS 28 -16.078 -0.119 4.542 228 HB2 LYS 28 HB3 LYS 28 -13.931 1.300 6.109 229 HB3 LYS 28 HB2 LYS 28 -15.098 0.232 6.876 230 HG2 LYS 28 HG3 LYS 28 -14.351 -1.584 5.381 231 HG3 LYS 28 HG2 LYS 28 -13.112 -0.501 4.745 232 HD2 LYS 28 HD3 LYS 28 -11.958 -0.430 6.783 233 HD3 LYS 28 HD2 LYS 28 -13.356 -1.050 7.690 234 HE2 LYS 28 HE3 LYS 28 -11.602 -2.582 5.762 235 HE3 LYS 28 HE2 LYS 28 -11.698 -2.785 7.510 236 HZ1 LYS 28 HZ1 LYS 28 -14.158 -3.290 7.075 237 HZ2 LYS 28 HZ2 LYS 28 -13.016 -4.478 6.684 238 HZ3 LYS 28 HZ3 LYS 28 -13.686 -3.525 5.463 239 H LYS 29 H LYS 29 -15.384 3.257 5.332 240 HA LYS 29 HA LYS 29 -17.520 3.803 7.011 241 HB2 LYS 29 HB3 LYS 29 -15.734 5.398 6.670 242 HB3 LYS 29 HB2 LYS 29 -16.130 5.547 4.966 243 HG2 LYS 29 HG3 LYS 29 -18.322 6.537 5.639 244 HG3 LYS 29 HG2 LYS 29 -17.746 6.538 7.307 245 HD2 LYS 29 HD3 LYS 29 -15.854 7.948 6.651 246 HD3 LYS 29 HD2 LYS 29 -16.443 7.959 4.988 247 HE2 LYS 29 HE3 LYS 29 -18.523 9.023 5.752 248 HE3 LYS 29 HE2 LYS 29 -17.892 9.045 7.397 249 HZ1 LYS 29 HZ1 LYS 29 -16.081 10.460 6.637 250 HZ2 LYS 29 HZ2 LYS 29 -17.583 11.175 6.332 251 HZ3 LYS 29 HZ3 LYS 29 -16.716 10.460 5.068 252 H LEU 30 H LEU 30 -17.421 3.517 3.518 253 HA LEU 30 HA LEU 30 -20.046 4.629 3.136 254 HB2 LEU 30 HB3 LEU 30 -18.302 3.068 1.230 255 HB3 LEU 30 HB2 LEU 30 -19.751 3.953 0.796 256 HG LEU 30 HG LEU 30 -17.204 5.179 1.861 257 HD11 LEU 30 HD11 LEU 30 -16.964 6.084 -0.393 258 HD12 LEU 30 HD12 LEU 30 -18.401 5.199 -0.906 259 HD13 LEU 30 HD13 LEU 30 -16.956 4.321 -0.404 260 HD21 LEU 30 HD21 LEU 30 -19.761 6.446 0.885 261 HD22 LEU 30 HD22 LEU 30 -18.274 7.312 1.270 262 HD23 LEU 30 HD23 LEU 30 -19.149 6.457 2.539 263 H VAL 31 H VAL 31 -18.680 1.354 2.606 264 HA VAL 31 HA VAL 31 -21.197 0.178 2.141 265 HB VAL 31 HB VAL 31 -19.075 -0.783 1.338 266 HG11 VAL 31 HG11 VAL 31 -17.669 -0.435 3.268 267 HG12 VAL 31 HG12 VAL 31 -17.700 -2.147 2.849 268 HG13 VAL 31 HG13 VAL 31 -18.647 -1.556 4.215 269 HG21 VAL 31 HG21 VAL 31 -19.636 -3.131 1.767 270 HG22 VAL 31 HG22 VAL 31 -21.057 -2.159 1.385 271 HG23 VAL 31 HG23 VAL 31 -20.727 -2.617 3.054 272 H GLY 32 H GLY 32 -19.404 0.716 5.113 273 HA2 GLY 32 HA3 GLY 32 -20.280 0.641 7.269 274 HA3 GLY 32 HA2 GLY 32 -21.704 -0.176 6.642 275 H GLU 33 H GLU 33 -18.236 -0.953 6.472 276 HA GLU 33 HA GLU 33 -18.814 -3.475 7.864 277 HB2 GLU 33 HB3 GLU 33 -18.732 -3.812 5.376 278 HB3 GLU 33 HB2 GLU 33 -17.072 -3.235 5.399 279 HG2 GLU 33 HG3 GLU 33 -17.111 -5.638 5.312 280 HG3 GLU 33 HG2 GLU 33 -16.453 -5.106 6.857 281 H1 GLY 1 H1 GLY 1 27.783 -1.345 3.608 282 H2 GLY 1 H2 GLY 1 27.122 -2.398 4.752 283 H3 GLY 1 H3 GLY 1 26.802 -0.743 4.847 284 HA2 GLY 1 HA2 GLY 1 25.582 -0.814 2.782 285 HA3 GLY 1 HA3 GLY 1 25.937 -2.530 2.647 286 H SER 2 H SER 2 23.349 -1.502 2.630 287 HA SER 2 HA SER 2 22.286 -2.701 5.095 288 HB2 SER 2 HB3 SER 2 21.105 -0.268 3.728 289 HB3 SER 2 HB2 SER 2 20.544 -1.018 5.221 290 HG SER 2 HG SER 2 22.409 -0.350 6.244 291 H MET 3 H MET 3 22.780 -3.865 2.562 292 HA MET 3 HA MET 3 20.548 -3.716 0.839 293 HB2 MET 3 HB3 MET 3 22.902 -5.568 1.016 294 HB3 MET 3 HB2 MET 3 21.616 -5.837 -0.153 295 HG2 MET 3 HG3 MET 3 23.473 -4.630 -1.150 296 HG3 MET 3 HG2 MET 3 22.014 -3.647 -1.128 297 HE1 MET 3 HE1 MET 3 24.671 -2.273 -1.773 298 HE2 MET 3 HE2 MET 3 24.703 -0.885 -0.686 299 HE3 MET 3 HE3 MET 3 23.202 -1.335 -1.494 300 H LYS 4 H LYS 4 21.509 -6.113 3.290 301 HA LYS 4 HA LYS 4 19.302 -7.811 2.914 302 HB2 LYS 4 HB3 LYS 4 19.716 -8.568 5.236 303 HB3 LYS 4 HB2 LYS 4 21.180 -8.517 4.267 304 HG2 LYS 4 HG3 LYS 4 21.832 -6.428 5.318 305 HG3 LYS 4 HG2 LYS 4 20.337 -6.416 6.252 306 HD2 LYS 4 HD3 LYS 4 22.420 -8.590 6.407 307 HD3 LYS 4 HD2 LYS 4 22.327 -7.225 7.519 308 HE2 LYS 4 HE3 LYS 4 20.075 -7.925 8.184 309 HE3 LYS 4 HE2 LYS 4 20.170 -9.287 7.069 310 HZ1 LYS 4 HZ1 LYS 4 21.984 -8.854 9.379 311 HZ2 LYS 4 HZ2 LYS 4 21.984 -10.192 8.344 312 HZ3 LYS 4 HZ3 LYS 4 20.664 -9.912 9.367 313 H GLN 5 H GLN 5 19.624 -4.766 4.582 314 HA GLN 5 HA GLN 5 17.306 -5.050 6.197 315 HB2 GLN 5 HB3 GLN 5 18.907 -2.597 5.468 316 HB3 GLN 5 HB2 GLN 5 17.629 -2.638 6.676 317 HG2 GLN 5 HG3 GLN 5 20.241 -4.126 6.754 318 HG3 GLN 5 HG2 GLN 5 19.752 -2.772 7.773 319 HE21 GLN 5 HE21 GLN 5 18.223 -3.109 9.396 320 HE22 GLN 5 HE22 GLN 5 17.854 -4.696 9.982 321 H LEU 6 H LEU 6 17.955 -3.102 3.241 322 HA LEU 6 HA LEU 6 15.266 -2.147 3.287 323 HB2 LEU 6 HB3 LEU 6 15.716 -0.809 1.469 324 HB3 LEU 6 HB2 LEU 6 17.260 -0.913 2.266 325 HG LEU 6 HG LEU 6 17.655 -0.956 -0.060 326 HD11 LEU 6 HD11 LEU 6 18.735 -3.086 -0.450 327 HD12 LEU 6 HD12 LEU 6 17.907 -3.757 0.956 328 HD13 LEU 6 HD13 LEU 6 19.068 -2.444 1.160 329 HD21 LEU 6 HD21 LEU 6 15.439 -1.532 -0.845 330 HD22 LEU 6 HD22 LEU 6 15.670 -3.198 -0.314 331 HD23 LEU 6 HD23 LEU 6 16.665 -2.545 -1.612 332 H GLU 7 H GLU 7 16.815 -4.897 1.860 333 HA GLU 7 HA GLU 7 14.907 -5.527 -0.087 334 HB2 GLU 7 HB3 GLU 7 16.773 -7.226 1.543 335 HB3 GLU 7 HB2 GLU 7 15.647 -7.945 0.399 336 HG2 GLU 7 HG3 GLU 7 17.736 -5.882 -0.283 337 HG3 GLU 7 HG2 GLU 7 17.888 -7.635 -0.544 338 H ASP 8 H ASP 8 15.002 -6.230 3.383 339 HA ASP 8 HA ASP 8 12.552 -7.680 3.392 340 HB2 ASP 8 HB3 ASP 8 14.192 -6.352 5.521 341 HB3 ASP 8 HB2 ASP 8 12.573 -6.932 5.897 342 H LYS 9 H LYS 9 13.336 -4.325 4.210 343 HA LYS 9 HA LYS 9 10.738 -3.477 4.848 344 HB2 LYS 9 HB3 LYS 9 12.623 -1.592 3.453 345 HB3 LYS 9 HB2 LYS 9 11.451 -1.257 4.719 346 HG2 LYS 9 HG3 LYS 9 12.860 -2.640 6.281 347 HG3 LYS 9 HG2 LYS 9 14.098 -2.641 5.028 348 HD2 LYS 9 HD3 LYS 9 12.900 -0.160 6.253 349 HD3 LYS 9 HD2 LYS 9 14.422 -0.889 6.759 350 HE2 LYS 9 HE3 LYS 9 15.320 -0.549 4.500 351 HE3 LYS 9 HE2 LYS 9 13.800 0.203 4.015 352 HZ1 LYS 9 HZ1 LYS 9 15.583 1.212 6.163 353 HZ2 LYS 9 HZ2 LYS 9 14.171 1.956 5.604 354 HZ3 LYS 9 HZ3 LYS 9 15.517 1.830 4.593 355 H VAL 10 H VAL 10 12.385 -3.278 1.702 356 HA VAL 10 HA VAL 10 10.315 -1.880 0.368 357 HB VAL 10 HB VAL 10 12.705 -2.079 -0.424 358 HG11 VAL 10 HG11 VAL 10 11.775 -4.771 -1.422 359 HG12 VAL 10 HG12 VAL 10 13.004 -4.479 -0.194 360 HG13 VAL 10 HG13 VAL 10 13.288 -3.978 -1.860 361 HG21 VAL 10 HG21 VAL 10 11.004 -1.106 -1.832 362 HG22 VAL 10 HG22 VAL 10 10.505 -2.702 -2.390 363 HG23 VAL 10 HG23 VAL 10 12.100 -2.080 -2.813 364 H GLU 11 H GLU 11 10.990 -5.197 1.034 365 HA GLU 11 HA GLU 11 8.950 -6.310 -0.660 366 HB2 GLU 11 HB3 GLU 11 11.001 -7.529 0.096 367 HB3 GLU 11 HB2 GLU 11 10.312 -7.594 1.710 368 HG2 GLU 11 HG3 GLU 11 9.931 -9.687 0.646 369 HG3 GLU 11 HG2 GLU 11 8.386 -8.848 0.777 370 H GLU 12 H GLU 12 9.201 -5.788 2.877 371 HA GLU 12 HA GLU 12 6.776 -6.924 3.624 372 HB2 GLU 12 HB3 GLU 12 8.536 -6.292 5.207 373 HB3 GLU 12 HB2 GLU 12 8.238 -4.591 4.875 374 HG2 GLU 12 HG3 GLU 12 5.932 -4.889 5.748 375 HG3 GLU 12 HG2 GLU 12 6.371 -6.534 6.209 376 H LEU 13 H LEU 13 7.447 -3.468 3.198 377 HA LEU 13 HA LEU 13 4.934 -2.417 3.334 378 HB2 LEU 13 HB3 LEU 13 7.163 -1.626 1.464 379 HB3 LEU 13 HB2 LEU 13 5.733 -0.658 1.755 380 HG LEU 13 HG LEU 13 7.791 -1.396 3.836 381 HD11 LEU 13 HD11 LEU 13 8.384 0.976 3.751 382 HD12 LEU 13 HD12 LEU 13 7.247 1.209 2.424 383 HD13 LEU 13 HD13 LEU 13 8.660 0.180 2.203 384 HD21 LEU 13 HD21 LEU 13 5.357 0.378 3.977 385 HD22 LEU 13 HD22 LEU 13 6.592 0.246 5.228 386 HD23 LEU 13 HD23 LEU 13 5.596 -1.152 4.824 387 H LEU 14 H LEU 14 6.492 -3.644 0.373 388 HA LEU 14 HA LEU 14 4.364 -3.167 -1.357 389 HB2 LEU 14 HB3 LEU 14 6.608 -3.663 -2.147 390 HB3 LEU 14 HB2 LEU 14 6.512 -5.283 -1.491 391 HG LEU 14 HG LEU 14 4.725 -5.821 -3.105 392 HD11 LEU 14 HD11 LEU 14 5.267 -3.047 -4.144 393 HD12 LEU 14 HD12 LEU 14 3.759 -3.641 -3.445 394 HD13 LEU 14 HD13 LEU 14 4.328 -4.278 -4.987 395 HD21 LEU 14 HD21 LEU 14 7.072 -6.291 -3.630 396 HD22 LEU 14 HD22 LEU 14 7.216 -4.701 -4.378 397 HD23 LEU 14 HD23 LEU 14 6.140 -5.909 -5.077 398 H SER 15 H SER 15 5.082 -5.989 0.675 399 HA SER 15 HA SER 15 2.959 -7.610 -0.205 400 HB2 SER 15 HB3 SER 15 4.837 -8.350 1.293 401 HB3 SER 15 HB2 SER 15 4.077 -7.461 2.610 402 HG SER 15 HG SER 15 3.043 -9.264 2.919 403 H LYS 16 H LYS 16 3.137 -5.031 2.181 404 HA LYS 16 HA LYS 16 0.459 -5.306 3.102 405 HB2 LYS 16 HB3 LYS 16 2.228 -4.202 4.427 406 HB3 LYS 16 HB2 LYS 16 2.314 -2.916 3.233 407 HG2 LYS 16 HG3 LYS 16 0.015 -2.270 3.760 408 HG3 LYS 16 HG2 LYS 16 -0.071 -3.568 4.955 409 HD2 LYS 16 HD3 LYS 16 1.701 -2.542 6.250 410 HD3 LYS 16 HD2 LYS 16 1.921 -1.298 5.020 411 HE2 LYS 16 HE3 LYS 16 -0.389 -0.519 5.457 412 HE3 LYS 16 HE2 LYS 16 -0.521 -1.704 6.755 413 HZ1 LYS 16 HZ1 LYS 16 1.348 -0.619 7.861 414 HZ2 LYS 16 HZ2 LYS 16 0.058 0.450 7.633 415 HZ3 LYS 16 HZ3 LYS 16 1.416 0.541 6.633 416 H ASN 17 H ASN 17 2.037 -3.282 0.621 417 HA ASN 17 HA ASN 17 -0.154 -1.788 -0.206 418 HB2 ASN 17 HB3 ASN 17 2.016 -3.027 -1.922 419 HB3 ASN 17 HB2 ASN 17 0.841 -1.874 -2.529 420 HD21 ASN 17 HD21 ASN 17 1.040 0.340 -1.892 421 HD22 ASN 17 HD22 ASN 17 2.494 0.929 -1.171 422 H TYR 18 H TYR 18 0.858 -4.995 -1.349 423 HA TYR 18 HA TYR 18 -1.156 -5.579 -3.102 424 HB2 TYR 18 HB3 TYR 18 0.946 -6.922 -2.232 425 HB3 TYR 18 HB2 TYR 18 -0.255 -7.696 -1.201 426 HD1 TYR 18 HD1 TYR 18 0.602 -6.959 -4.711 427 HD2 TYR 18 HD2 TYR 18 -1.667 -9.378 -2.061 428 HE1 TYR 18 HE1 TYR 18 -0.010 -8.411 -6.576 429 HE2 TYR 18 HE2 TYR 18 -2.290 -10.848 -3.925 430 HH TYR 18 HH TYR 18 -2.465 -10.777 -6.361 431 H HIS 19 H HIS 19 -1.146 -6.218 0.398 432 HA HIS 19 HA HIS 19 -3.700 -7.363 0.531 433 HB2 HIS 19 HB3 HIS 19 -1.920 -6.067 2.561 434 HB3 HIS 19 HB2 HIS 19 -3.561 -6.531 2.999 435 HD1 HIS 19 HD1 HIS 19 -4.037 -9.005 3.338 436 HD2 HIS 19 HD2 HIS 19 -0.177 -8.241 2.002 437 HE1 HIS 19 HE1 HIS 19 -2.795 -11.171 3.588 438 HE2 HIS 19 HE2 HIS 19 -0.427 -10.648 2.914 439 H LEU 20 H LEU 20 -2.692 -4.008 1.182 440 HA LEU 20 HA LEU 20 -5.268 -3.053 1.807 441 HB2 LEU 20 HB3 LEU 20 -2.924 -1.542 0.654 442 HB3 LEU 20 HB2 LEU 20 -4.343 -0.815 1.377 443 HG LEU 20 HG LEU 20 -2.396 -2.582 2.858 444 HD11 LEU 20 HD11 LEU 20 -1.692 -0.486 3.946 445 HD12 LEU 20 HD12 LEU 20 -2.679 0.412 2.793 446 HD13 LEU 20 HD13 LEU 20 -1.304 -0.537 2.227 447 HD21 LEU 20 HD21 LEU 20 -4.624 -2.659 3.803 448 HD22 LEU 20 HD22 LEU 20 -4.705 -0.897 3.807 449 HD23 LEU 20 HD23 LEU 20 -3.551 -1.729 4.850 450 H GLU 21 H GLU 21 -3.475 -3.175 -1.221 451 HA GLU 21 HA GLU 21 -5.259 -1.694 -2.804 452 HB2 GLU 21 HB3 GLU 21 -2.809 -2.658 -3.204 453 HB3 GLU 21 HB2 GLU 21 -3.690 -3.969 -3.962 454 HG2 GLU 21 HG3 GLU 21 -3.868 -1.067 -4.767 455 HG3 GLU 21 HG2 GLU 21 -2.861 -2.282 -5.543 456 H ASN 22 H ASN 22 -5.079 -5.146 -2.054 457 HA ASN 22 HA ASN 22 -7.235 -5.930 -3.717 458 HB2 ASN 22 HB3 ASN 22 -6.032 -7.219 -1.266 459 HB3 ASN 22 HB2 ASN 22 -7.325 -7.957 -2.202 460 HD21 ASN 22 HD21 ASN 22 -6.239 -6.907 -4.736 461 HD22 ASN 22 HD22 ASN 22 -4.871 -7.903 -5.093 462 H GLU 23 H GLU 23 -7.045 -4.940 -0.323 463 HA GLU 23 HA GLU 23 -9.728 -5.450 0.343 464 HB2 GLU 23 HB3 GLU 23 -7.759 -3.464 1.472 465 HB3 GLU 23 HB2 GLU 23 -9.357 -3.733 2.155 466 HG2 GLU 23 HG3 GLU 23 -7.158 -5.770 1.905 467 HG3 GLU 23 HG2 GLU 23 -7.678 -4.963 3.382 468 H VAL 24 H VAL 24 -8.164 -2.641 -1.112 469 HA VAL 24 HA VAL 24 -10.311 -0.866 -1.029 470 HB VAL 24 HB VAL 24 -8.241 -1.130 -3.221 471 HG11 VAL 24 HG11 VAL 24 -10.138 0.172 -3.978 472 HG12 VAL 24 HG12 VAL 24 -8.765 1.240 -3.679 473 HG13 VAL 24 HG13 VAL 24 -10.084 1.152 -2.512 474 HG21 VAL 24 HG21 VAL 24 -7.225 -0.782 -1.039 475 HG22 VAL 24 HG22 VAL 24 -8.284 0.598 -0.748 476 HG23 VAL 24 HG23 VAL 24 -7.073 0.670 -2.029 477 H ALA 25 H ALA 25 -9.337 -2.980 -3.746 478 HA ALA 25 HA ALA 25 -11.600 -2.624 -5.336 479 HB1 ALA 25 HB1 ALA 25 -10.952 -4.668 -6.470 480 HB2 ALA 25 HB2 ALA 25 -9.905 -5.106 -5.122 481 HB3 ALA 25 HB3 ALA 25 -9.531 -3.691 -6.104 482 H ARG 26 H ARG 26 -10.983 -5.027 -2.819 483 HA ARG 26 HA ARG 26 -13.223 -6.616 -2.988 484 HB2 ARG 26 HB3 ARG 26 -11.325 -7.033 -1.505 485 HB3 ARG 26 HB2 ARG 26 -11.760 -5.641 -0.531 486 HG2 ARG 26 HG3 ARG 26 -13.867 -6.767 0.079 487 HG3 ARG 26 HG2 ARG 26 -13.334 -8.186 -0.831 488 HD2 ARG 26 HD2 ARG 26 -11.335 -8.319 0.597 489 HD3 ARG 26 HD1 ARG 26 -11.921 -6.942 1.527 490 HE ARG 26 HE ARG 26 -13.829 -9.063 1.427 491 HH11 ARG 26 HH11 ARG 26 -10.934 -7.930 3.043 492 HH12 ARG 26 HH12 ARG 26 -11.220 -8.876 4.472 493 HH21 ARG 26 HH21 ARG 26 -14.211 -10.295 3.310 494 HH22 ARG 26 HH22 ARG 26 -13.084 -10.210 4.628 495 H LEU 27 H LEU 27 -12.843 -3.701 -0.979 496 HA LEU 27 HA LEU 27 -15.511 -3.667 -0.066 497 HB2 LEU 27 HB3 LEU 27 -13.388 -1.537 -0.187 498 HB3 LEU 27 HB2 LEU 27 -14.952 -1.278 0.570 499 HG LEU 27 HG LEU 27 -13.081 -3.481 1.391 500 HD11 LEU 27 HD11 LEU 27 -13.367 -0.733 2.569 501 HD12 LEU 27 HD12 LEU 27 -11.961 -1.362 1.710 502 HD13 LEU 27 HD13 LEU 27 -12.430 -2.060 3.260 503 HD21 LEU 27 HD21 LEU 27 -15.452 -2.212 2.748 504 HD22 LEU 27 HD22 LEU 27 -14.424 -3.469 3.440 505 HD23 LEU 27 HD23 LEU 27 -15.406 -3.816 2.017 506 H LYS 28 H LYS 28 -14.008 -2.266 -2.918 507 HA LYS 28 HA LYS 28 -16.121 -0.555 -3.648 508 HB2 LYS 28 HB3 LYS 28 -13.970 -1.914 -5.261 509 HB3 LYS 28 HB2 LYS 28 -15.165 -0.853 -5.995 510 HG2 LYS 28 HG3 LYS 28 -14.423 0.959 -4.488 511 HG3 LYS 28 HG2 LYS 28 -13.162 -0.119 -3.879 512 HD2 LYS 28 HD3 LYS 28 -12.033 -0.149 -5.932 513 HD3 LYS 28 HD2 LYS 28 -13.449 0.465 -6.813 514 HE2 LYS 28 HE3 LYS 28 -11.688 1.994 -4.887 515 HE3 LYS 28 HE2 LYS 28 -11.812 2.221 -6.630 516 HZ1 LYS 28 HZ1 LYS 28 -14.270 2.693 -6.151 517 HZ2 LYS 28 HZ2 LYS 28 -13.135 3.890 -5.759 518 HZ3 LYS 28 HZ3 LYS 28 -13.778 2.912 -4.544 519 H LYS 29 H LYS 29 -15.386 -3.917 -4.483 520 HA LYS 29 HA LYS 29 -17.536 -4.465 -6.141 521 HB2 LYS 29 HB3 LYS 29 -15.720 -6.035 -5.849 522 HB3 LYS 29 HB2 LYS 29 -16.092 -6.215 -4.143 523 HG2 LYS 29 HG3 LYS 29 -18.277 -7.227 -4.801 524 HG3 LYS 29 HG2 LYS 29 -17.724 -7.196 -6.477 525 HD2 LYS 29 HD3 LYS 29 -15.799 -8.584 -5.860 526 HD3 LYS 29 HD2 LYS 29 -16.374 -8.630 -4.192 527 HE2 LYS 29 HE3 LYS 29 -18.444 -9.714 -4.961 528 HE3 LYS 29 HE2 LYS 29 -17.822 -9.707 -6.609 529 HZ1 LYS 29 HZ1 LYS 29 -15.984 -11.104 -5.866 530 HZ2 LYS 29 HZ2 LYS 29 -17.472 -11.842 -5.562 531 HZ3 LYS 29 HZ3 LYS 29 -16.613 -11.126 -4.297 532 H LEU 30 H LEU 30 -17.392 -4.224 -2.651 533 HA LEU 30 HA LEU 30 -19.997 -5.376 -2.244 534 HB2 LEU 30 HB3 LEU 30 -18.250 -3.812 -0.344 535 HB3 LEU 30 HB2 LEU 30 -19.680 -4.724 0.098 536 HG LEU 30 HG LEU 30 -17.132 -5.899 -1.018 537 HD11 LEU 30 HD11 LEU 30 -16.845 -6.827 1.220 538 HD12 LEU 30 HD12 LEU 30 -18.286 -5.970 1.766 539 HD13 LEU 30 HD13 LEU 30 -16.863 -5.065 1.254 540 HD21 LEU 30 HD21 LEU 30 -19.654 -7.220 -0.022 541 HD22 LEU 30 HD22 LEU 30 -18.160 -8.057 -0.437 542 HD23 LEU 30 HD23 LEU 30 -19.064 -7.201 -1.684 543 H VAL 31 H VAL 31 -18.669 -2.090 -1.695 544 HA VAL 31 HA VAL 31 -21.199 -0.958 -1.183 545 HB VAL 31 HB VAL 31 -19.083 0.027 -0.392 546 HG11 VAL 31 HG11 VAL 31 -17.696 -0.275 -2.344 547 HG12 VAL 31 HG12 VAL 31 -17.750 1.432 -1.902 548 HG13 VAL 31 HG13 VAL 31 -18.702 0.843 -3.265 549 HG21 VAL 31 HG21 VAL 31 -19.685 2.372 -0.783 550 HG22 VAL 31 HG22 VAL 31 -21.086 1.374 -0.397 551 HG23 VAL 31 HG23 VAL 31 -20.784 1.861 -2.064 552 H GLY 32 H GLY 32 -19.430 -1.420 -4.184 553 HA2 GLY 32 HA3 GLY 32 -20.341 -1.343 -6.328 554 HA3 GLY 32 HA2 GLY 32 -21.772 -0.558 -5.672 555 H GLU 33 H GLU 33 -18.316 0.274 -5.539 556 HA GLU 33 HA GLU 33 -18.956 2.809 -6.883 557 HB2 GLU 33 HB3 GLU 33 -18.839 3.112 -4.392 558 HB3 GLU 33 HB2 GLU 33 -17.173 2.554 -4.448 559 HG2 GLU 33 HG3 GLU 33 -17.234 4.955 -4.323 560 HG3 GLU 33 HG2 GLU 33 -16.594 4.453 -5.886 Start of MODEL 8 1 H1 GLY 1 H1 GLY 1 19.710 -3.067 -8.371 2 H2 GLY 1 H2 GLY 1 20.056 -3.081 -6.717 3 H3 GLY 1 H3 GLY 1 21.314 -3.123 -7.841 4 HA2 GLY 1 HA2 GLY 1 20.779 -0.908 -8.600 5 HA3 GLY 1 HA3 GLY 1 19.434 -0.863 -7.468 6 H SER 2 H SER 2 20.720 1.143 -6.854 7 HA SER 2 HA SER 2 22.996 0.568 -5.138 8 HB2 SER 2 HB3 SER 2 23.115 3.033 -4.905 9 HB3 SER 2 HB2 SER 2 23.114 2.530 -6.594 10 HG SER 2 HG SER 2 21.671 4.274 -6.214 11 H MET 3 H MET 3 22.920 1.968 -2.981 12 HA MET 3 HA MET 3 20.891 0.846 -1.357 13 HB2 MET 3 HB3 MET 3 23.106 1.434 -0.473 14 HB3 MET 3 HB2 MET 3 22.777 3.136 -0.761 15 HG2 MET 3 HG3 MET 3 20.953 3.066 0.855 16 HG3 MET 3 HG2 MET 3 21.265 1.356 1.137 17 HE1 MET 3 HE1 MET 3 23.414 0.412 2.300 18 HE2 MET 3 HE2 MET 3 24.758 1.403 2.866 19 HE3 MET 3 HE3 MET 3 24.459 1.228 1.137 20 H LYS 4 H LYS 4 21.454 4.160 -2.517 21 HA LYS 4 HA LYS 4 19.121 5.274 -1.399 22 HB2 LYS 4 HB3 LYS 4 20.964 6.105 -3.605 23 HB3 LYS 4 HB2 LYS 4 19.454 6.972 -3.369 24 HG2 LYS 4 HG3 LYS 4 21.202 8.135 -2.228 25 HG3 LYS 4 HG2 LYS 4 20.125 7.419 -1.030 26 HD2 LYS 4 HD3 LYS 4 21.712 5.556 -0.753 27 HD3 LYS 4 HD2 LYS 4 22.791 6.327 -1.914 28 HE2 LYS 4 HE3 LYS 4 21.895 7.533 0.698 29 HE3 LYS 4 HE2 LYS 4 23.450 6.754 0.418 30 HZ1 LYS 4 HZ1 LYS 4 22.475 9.158 -1.025 31 HZ2 LYS 4 HZ2 LYS 4 23.998 8.442 -1.187 32 HZ3 LYS 4 HZ3 LYS 4 23.561 9.182 0.272 33 H GLN 5 H GLN 5 19.649 3.479 -4.352 34 HA GLN 5 HA GLN 5 17.267 4.084 -5.691 35 HB2 GLN 5 HB3 GLN 5 19.185 2.844 -6.669 36 HB3 GLN 5 HB2 GLN 5 18.781 1.464 -5.663 37 HG2 GLN 5 HG3 GLN 5 16.756 2.582 -7.551 38 HG3 GLN 5 HG2 GLN 5 18.040 1.536 -8.146 39 HE21 GLN 5 HE21 GLN 5 18.106 -0.068 -5.696 40 HE22 GLN 5 HE22 GLN 5 16.696 -1.060 -5.744 41 H LEU 6 H LEU 6 18.009 1.617 -3.266 42 HA LEU 6 HA LEU 6 15.388 0.516 -3.184 43 HB2 LEU 6 HB3 LEU 6 17.599 0.462 -1.123 44 HB3 LEU 6 HB2 LEU 6 16.098 -0.425 -0.977 45 HG LEU 6 HG LEU 6 18.117 -0.839 -3.186 46 HD11 LEU 6 HD11 LEU 6 18.999 -1.531 -1.024 47 HD12 LEU 6 HD12 LEU 6 18.633 -2.929 -2.034 48 HD13 LEU 6 HD13 LEU 6 17.544 -2.479 -0.723 49 HD21 LEU 6 HD21 LEU 6 15.616 -2.342 -2.421 50 HD22 LEU 6 HD22 LEU 6 16.790 -2.869 -3.625 51 HD23 LEU 6 HD23 LEU 6 15.866 -1.392 -3.886 52 H GLU 7 H GLU 7 17.005 3.110 -1.487 53 HA GLU 7 HA GLU 7 15.137 3.598 0.516 54 HB2 GLU 7 HB3 GLU 7 17.416 4.556 0.407 55 HB3 GLU 7 HB2 GLU 7 16.916 5.565 -0.940 56 HG2 GLU 7 HG3 GLU 7 15.313 6.705 0.512 57 HG3 GLU 7 HG2 GLU 7 15.852 5.690 1.869 58 H ASP 8 H ASP 8 15.296 4.739 -2.828 59 HA ASP 8 HA ASP 8 13.100 6.493 -2.750 60 HB2 ASP 8 HB3 ASP 8 14.389 4.930 -4.969 61 HB3 ASP 8 HB2 ASP 8 12.934 5.876 -5.263 62 H LYS 9 H LYS 9 13.294 3.060 -3.552 63 HA LYS 9 HA LYS 9 10.588 2.560 -4.086 64 HB2 LYS 9 HB3 LYS 9 12.102 0.562 -2.449 65 HB3 LYS 9 HB2 LYS 9 10.990 0.296 -3.780 66 HG2 LYS 9 HG3 LYS 9 13.776 1.398 -4.093 67 HG3 LYS 9 HG2 LYS 9 13.319 -0.286 -4.339 68 HD2 LYS 9 HD3 LYS 9 12.264 2.076 -5.905 69 HD3 LYS 9 HD2 LYS 9 13.490 0.939 -6.456 70 HE2 LYS 9 HE3 LYS 9 10.664 0.204 -5.719 71 HE3 LYS 9 HE2 LYS 9 11.243 0.456 -7.362 72 HZ1 LYS 9 HZ1 LYS 9 11.185 -1.889 -6.761 73 HZ2 LYS 9 HZ2 LYS 9 12.260 -1.614 -5.488 74 HZ3 LYS 9 HZ3 LYS 9 12.765 -1.386 -7.084 75 H VAL 10 H VAL 10 12.310 2.461 -1.013 76 HA VAL 10 HA VAL 10 10.232 1.597 0.659 77 HB VAL 10 HB VAL 10 12.522 3.445 1.369 78 HG11 VAL 10 HG11 VAL 10 10.746 3.442 3.048 79 HG12 VAL 10 HG12 VAL 10 12.193 2.634 3.650 80 HG13 VAL 10 HG13 VAL 10 10.810 1.681 3.118 81 HG21 VAL 10 HG21 VAL 10 13.609 1.353 2.167 82 HG22 VAL 10 HG22 VAL 10 13.396 1.425 0.418 83 HG23 VAL 10 HG23 VAL 10 12.312 0.439 1.397 84 H GLU 11 H GLU 11 11.240 4.693 -0.523 85 HA GLU 11 HA GLU 11 9.506 6.304 1.066 86 HB2 GLU 11 HB3 GLU 11 11.652 6.819 -0.498 87 HB3 GLU 11 HB2 GLU 11 10.363 7.323 -1.578 88 HG2 GLU 11 HG3 GLU 11 10.848 8.352 1.207 89 HG3 GLU 11 HG2 GLU 11 11.222 9.190 -0.295 90 H GLU 12 H GLU 12 9.333 5.269 -2.370 91 HA GLU 12 HA GLU 12 6.894 6.567 -2.930 92 HB2 GLU 12 HB3 GLU 12 8.294 4.231 -4.204 93 HB3 GLU 12 HB2 GLU 12 6.763 4.840 -4.821 94 HG2 GLU 12 HG3 GLU 12 9.278 6.465 -4.521 95 HG3 GLU 12 HG2 GLU 12 8.707 5.738 -6.023 96 H LEU 13 H LEU 13 7.489 3.173 -2.203 97 HA LEU 13 HA LEU 13 4.934 2.191 -2.164 98 HB2 LEU 13 HB3 LEU 13 7.252 1.441 -0.397 99 HB3 LEU 13 HB2 LEU 13 5.788 0.490 -0.565 100 HG LEU 13 HG LEU 13 7.642 1.143 -2.854 101 HD11 LEU 13 HD11 LEU 13 8.411 -1.169 -2.656 102 HD12 LEU 13 HD12 LEU 13 7.442 -1.364 -1.195 103 HD13 LEU 13 HD13 LEU 13 8.793 -0.230 -1.212 104 HD21 LEU 13 HD21 LEU 13 5.349 -0.798 -2.588 105 HD22 LEU 13 HD22 LEU 13 6.417 -0.664 -3.983 106 HD23 LEU 13 HD23 LEU 13 5.363 0.681 -3.548 107 H LEU 14 H LEU 14 6.539 3.965 0.445 108 HA LEU 14 HA LEU 14 4.587 3.597 2.410 109 HB2 LEU 14 HB3 LEU 14 6.778 5.522 2.041 110 HB3 LEU 14 HB2 LEU 14 5.396 6.189 2.876 111 HG LEU 14 HG LEU 14 7.159 5.289 4.392 112 HD11 LEU 14 HD11 LEU 14 4.512 3.854 4.568 113 HD12 LEU 14 HD12 LEU 14 4.821 5.501 5.114 114 HD13 LEU 14 HD13 LEU 14 5.642 4.148 5.888 115 HD21 LEU 14 HD21 LEU 14 7.865 3.395 3.036 116 HD22 LEU 14 HD22 LEU 14 6.298 2.625 3.281 117 HD23 LEU 14 HD23 LEU 14 7.378 2.882 4.651 118 H SER 15 H SER 15 4.853 6.105 -0.072 119 HA SER 15 HA SER 15 2.506 7.498 0.583 120 HB2 SER 15 HB3 SER 15 4.286 8.322 -0.962 121 HB3 SER 15 HB2 SER 15 3.742 7.151 -2.160 122 HG SER 15 HG SER 15 2.345 9.386 -1.124 123 H LYS 16 H LYS 16 3.111 4.705 -1.473 124 HA LYS 16 HA LYS 16 0.483 4.416 -2.477 125 HB2 LYS 16 HB3 LYS 16 2.523 3.320 -3.426 126 HB3 LYS 16 HB2 LYS 16 2.557 2.258 -2.029 127 HG2 LYS 16 HG3 LYS 16 1.556 1.019 -3.746 128 HG3 LYS 16 HG2 LYS 16 0.233 1.524 -2.695 129 HD2 LYS 16 HD3 LYS 16 -0.243 3.389 -4.241 130 HD3 LYS 16 HD2 LYS 16 1.037 2.808 -5.305 131 HE2 LYS 16 HE3 LYS 16 -1.500 1.367 -4.561 132 HE3 LYS 16 HE2 LYS 16 -1.088 2.039 -6.135 133 HZ1 LYS 16 HZ1 LYS 16 0.292 -0.211 -4.777 134 HZ2 LYS 16 HZ2 LYS 16 0.727 0.440 -6.279 135 HZ3 LYS 16 HZ3 LYS 16 -0.765 -0.340 -6.095 136 H ASN 17 H ASN 17 2.202 2.916 0.232 137 HA ASN 17 HA ASN 17 0.277 1.232 1.254 138 HB2 ASN 17 HB3 ASN 17 2.572 1.355 2.107 139 HB3 ASN 17 HB2 ASN 17 2.251 2.962 2.751 140 HD21 ASN 17 HD21 ASN 17 2.979 1.977 4.863 141 HD22 ASN 17 HD22 ASN 17 1.822 1.099 5.779 142 H TYR 18 H TYR 18 0.779 4.647 2.120 143 HA TYR 18 HA TYR 18 -1.407 4.713 3.939 144 HB2 TYR 18 HB3 TYR 18 0.145 6.934 2.606 145 HB3 TYR 18 HB2 TYR 18 -1.152 7.232 3.756 146 HD1 TYR 18 HD1 TYR 18 2.016 7.780 3.758 147 HD2 TYR 18 HD2 TYR 18 -0.581 5.022 5.718 148 HE1 TYR 18 HE1 TYR 18 3.624 7.572 5.602 149 HE2 TYR 18 HE2 TYR 18 1.026 4.816 7.560 150 HH TYR 18 HH TYR 18 3.449 5.126 7.929 151 H HIS 19 H HIS 19 -1.103 5.345 0.520 152 HA HIS 19 HA HIS 19 -3.466 6.805 0.127 153 HB2 HIS 19 HB3 HIS 19 -1.597 6.478 -1.545 154 HB3 HIS 19 HB2 HIS 19 -2.237 4.868 -1.845 155 HD1 HIS 19 HD1 HIS 19 -2.536 8.313 -2.926 156 HD2 HIS 19 HD2 HIS 19 -4.989 4.957 -2.907 157 HE1 HIS 19 HE1 HIS 19 -4.366 8.801 -4.577 158 HE2 HIS 19 HE2 HIS 19 -5.923 6.826 -4.427 159 H LEU 20 H LEU 20 -2.846 3.304 -0.051 160 HA LEU 20 HA LEU 20 -5.565 2.747 -0.756 161 HB2 LEU 20 HB3 LEU 20 -3.274 0.952 -0.003 162 HB3 LEU 20 HB2 LEU 20 -4.889 0.353 -0.269 163 HG LEU 20 HG LEU 20 -3.468 0.034 -2.232 164 HD11 LEU 20 HD11 LEU 20 -5.878 0.271 -2.484 165 HD12 LEU 20 HD12 LEU 20 -5.012 0.911 -3.879 166 HD13 LEU 20 HD13 LEU 20 -5.690 2.013 -2.681 167 HD21 LEU 20 HD21 LEU 20 -1.979 1.875 -2.157 168 HD22 LEU 20 HD22 LEU 20 -3.308 3.033 -2.204 169 HD23 LEU 20 HD23 LEU 20 -2.947 2.051 -3.621 170 H GLU 21 H GLU 21 -3.699 2.683 2.252 171 HA GLU 21 HA GLU 21 -5.563 1.335 3.838 172 HB2 GLU 21 HB3 GLU 21 -3.668 3.559 4.621 173 HB3 GLU 21 HB2 GLU 21 -4.590 2.603 5.770 174 HG2 GLU 21 HG3 GLU 21 -3.436 0.568 4.873 175 HG3 GLU 21 HG2 GLU 21 -2.416 1.649 3.925 176 H ASN 22 H ASN 22 -5.303 4.802 3.086 177 HA ASN 22 HA ASN 22 -7.530 5.636 4.591 178 HB2 ASN 22 HB3 ASN 22 -6.092 6.801 2.229 179 HB3 ASN 22 HB2 ASN 22 -7.583 7.538 2.806 180 HD21 ASN 22 HD21 ASN 22 -7.626 8.476 4.872 181 HD22 ASN 22 HD22 ASN 22 -6.165 8.926 5.684 182 H GLU 23 H GLU 23 -7.271 4.680 1.172 183 HA GLU 23 HA GLU 23 -9.934 5.054 0.445 184 HB2 GLU 23 HB3 GLU 23 -7.726 3.322 -0.554 185 HB3 GLU 23 HB2 GLU 23 -9.357 2.994 -1.126 186 HG2 GLU 23 HG3 GLU 23 -8.022 5.683 -1.307 187 HG3 GLU 23 HG2 GLU 23 -8.016 4.483 -2.599 188 H VAL 24 H VAL 24 -8.374 2.146 1.767 189 HA VAL 24 HA VAL 24 -10.567 0.448 1.774 190 HB VAL 24 HB VAL 24 -8.263 0.615 3.726 191 HG11 VAL 24 HG11 VAL 24 -10.301 -1.589 3.429 192 HG12 VAL 24 HG12 VAL 24 -10.154 -0.500 4.807 193 HG13 VAL 24 HG13 VAL 24 -8.860 -1.643 4.443 194 HG21 VAL 24 HG21 VAL 24 -8.839 -1.129 1.341 195 HG22 VAL 24 HG22 VAL 24 -7.522 -1.408 2.474 196 HG23 VAL 24 HG23 VAL 24 -7.553 0.067 1.507 197 H ALA 25 H ALA 25 -9.440 2.607 4.382 198 HA ALA 25 HA ALA 25 -11.407 2.052 6.265 199 HB1 ALA 25 HB1 ALA 25 -9.983 4.672 5.840 200 HB2 ALA 25 HB2 ALA 25 -9.355 3.294 6.743 201 HB3 ALA 25 HB3 ALA 25 -10.786 4.147 7.318 202 H ARG 26 H ARG 26 -11.472 4.402 3.627 203 HA ARG 26 HA ARG 26 -13.873 5.701 4.331 204 HB2 ARG 26 HB3 ARG 26 -12.696 5.267 1.574 205 HB3 ARG 26 HB2 ARG 26 -13.928 6.451 1.991 206 HG2 ARG 26 HG3 ARG 26 -12.385 7.681 3.333 207 HG3 ARG 26 HG2 ARG 26 -11.167 6.414 3.170 208 HD2 ARG 26 HD2 ARG 26 -11.066 6.843 0.754 209 HD3 ARG 26 HD1 ARG 26 -12.257 8.131 0.941 210 HE ARG 26 HE ARG 26 -10.517 9.142 2.502 211 HH11 ARG 26 HH11 ARG 26 -9.697 7.196 -0.303 212 HH12 ARG 26 HH12 ARG 26 -8.152 7.966 -0.524 213 HH21 ARG 26 HH21 ARG 26 -8.489 10.145 2.193 214 HH22 ARG 26 HH22 ARG 26 -7.467 9.630 0.889 215 H LEU 27 H LEU 27 -13.187 3.084 2.057 216 HA LEU 27 HA LEU 27 -15.874 2.632 1.325 217 HB2 LEU 27 HB3 LEU 27 -13.559 0.703 1.219 218 HB3 LEU 27 HB2 LEU 27 -15.052 0.582 0.307 219 HG LEU 27 HG LEU 27 -13.053 2.812 0.011 220 HD11 LEU 27 HD11 LEU 27 -12.136 0.662 -0.704 221 HD12 LEU 27 HD12 LEU 27 -12.412 1.748 -2.063 222 HD13 LEU 27 HD13 LEU 27 -13.533 0.424 -1.755 223 HD21 LEU 27 HD21 LEU 27 -15.480 2.056 -1.607 224 HD22 LEU 27 HD22 LEU 27 -14.322 3.317 -2.028 225 HD23 LEU 27 HD23 LEU 27 -15.311 3.478 -0.577 226 H LYS 28 H LYS 28 -14.047 1.583 4.093 227 HA LYS 28 HA LYS 28 -15.574 -0.712 4.739 228 HB2 LYS 28 HB3 LYS 28 -13.855 1.105 6.436 229 HB3 LYS 28 HB2 LYS 28 -14.666 -0.311 7.081 230 HG2 LYS 28 HG3 LYS 28 -12.679 -0.394 4.828 231 HG3 LYS 28 HG2 LYS 28 -12.262 -0.636 6.524 232 HD2 LYS 28 HD3 LYS 28 -13.913 -2.528 6.572 233 HD3 LYS 28 HD2 LYS 28 -14.072 -2.341 4.809 234 HE2 LYS 28 HE3 LYS 28 -11.636 -2.723 4.592 235 HE3 LYS 28 HE2 LYS 28 -11.539 -2.981 6.330 236 HZ1 LYS 28 HZ1 LYS 28 -12.810 -4.936 6.159 237 HZ2 LYS 28 HZ2 LYS 28 -11.661 -5.032 4.915 238 HZ3 LYS 28 HZ3 LYS 28 -13.264 -4.615 4.564 239 H LYS 29 H LYS 29 -15.641 2.647 5.980 240 HA LYS 29 HA LYS 29 -17.894 2.246 7.629 241 HB2 LYS 29 HB3 LYS 29 -18.040 4.667 7.772 242 HB3 LYS 29 HB2 LYS 29 -16.374 4.136 7.929 243 HG2 LYS 29 HG3 LYS 29 -15.878 4.822 5.693 244 HG3 LYS 29 HG2 LYS 29 -17.578 5.176 5.380 245 HD2 LYS 29 HD3 LYS 29 -17.499 6.894 7.157 246 HD3 LYS 29 HD2 LYS 29 -15.768 6.591 7.331 247 HE2 LYS 29 HE3 LYS 29 -15.372 7.280 5.054 248 HE3 LYS 29 HE2 LYS 29 -17.103 7.454 4.769 249 HZ1 LYS 29 HZ1 LYS 29 -16.050 9.586 5.158 250 HZ2 LYS 29 HZ2 LYS 29 -15.496 9.072 6.668 251 HZ3 LYS 29 HZ3 LYS 29 -17.154 9.241 6.393 252 H LEU 30 H LEU 30 -17.623 2.710 4.227 253 HA LEU 30 HA LEU 30 -20.326 3.592 3.835 254 HB2 LEU 30 HB3 LEU 30 -18.342 2.418 1.884 255 HB3 LEU 30 HB2 LEU 30 -19.887 3.120 1.444 256 HG LEU 30 HG LEU 30 -17.562 4.587 2.694 257 HD11 LEU 30 HD11 LEU 30 -18.756 4.761 -0.067 258 HD12 LEU 30 HD12 LEU 30 -17.218 4.004 0.346 259 HD13 LEU 30 HD13 LEU 30 -17.430 5.742 0.559 260 HD21 LEU 30 HD21 LEU 30 -19.643 5.520 3.487 261 HD22 LEU 30 HD22 LEU 30 -20.281 5.573 1.845 262 HD23 LEU 30 HD23 LEU 30 -18.925 6.605 2.297 263 H VAL 31 H VAL 31 -18.639 0.505 3.169 264 HA VAL 31 HA VAL 31 -20.970 -0.964 2.584 265 HB VAL 31 HB VAL 31 -18.331 -1.985 3.655 266 HG11 VAL 31 HG11 VAL 31 -20.512 -3.435 2.160 267 HG12 VAL 31 HG12 VAL 31 -20.101 -3.646 3.862 268 HG13 VAL 31 HG13 VAL 31 -18.947 -4.110 2.612 269 HG21 VAL 31 HG21 VAL 31 -18.024 -0.693 1.628 270 HG22 VAL 31 HG22 VAL 31 -19.283 -1.626 0.818 271 HG23 VAL 31 HG23 VAL 31 -17.779 -2.409 1.303 272 H GLY 32 H GLY 32 -19.389 -0.239 5.644 273 HA2 GLY 32 HA3 GLY 32 -21.160 -0.310 7.492 274 HA3 GLY 32 HA2 GLY 32 -21.293 -2.002 7.034 275 H GLU 33 H GLU 33 -19.377 0.392 8.642 276 HA GLU 33 HA GLU 33 -17.463 -1.691 9.441 277 HB2 GLU 33 HB3 GLU 33 -16.698 0.420 8.130 278 HB3 GLU 33 HB2 GLU 33 -16.973 1.282 9.630 279 HG2 GLU 33 HG3 GLU 33 -15.082 -1.054 9.396 280 HG3 GLU 33 HG2 GLU 33 -14.606 0.620 9.150 281 H1 GLY 1 H1 GLY 1 19.777 2.891 8.688 282 H2 GLY 1 H2 GLY 1 20.101 2.907 7.031 283 H3 GLY 1 H3 GLY 1 21.374 2.959 8.139 284 HA2 GLY 1 HA2 GLY 1 20.863 0.743 8.908 285 HA3 GLY 1 HA3 GLY 1 19.503 0.686 7.794 286 H SER 2 H SER 2 20.809 -1.312 7.180 287 HA SER 2 HA SER 2 23.050 -0.719 5.428 288 HB2 SER 2 HB3 SER 2 23.215 -3.175 5.218 289 HB3 SER 2 HB2 SER 2 23.208 -2.669 6.903 290 HG SER 2 HG SER 2 21.805 -4.430 6.563 291 H MET 3 H MET 3 22.964 -2.152 3.288 292 HA MET 3 HA MET 3 20.901 -1.062 1.681 293 HB2 MET 3 HB3 MET 3 23.111 -1.633 0.770 294 HB3 MET 3 HB2 MET 3 22.803 -3.337 1.076 295 HG2 MET 3 HG3 MET 3 20.959 -3.301 -0.516 296 HG3 MET 3 HG2 MET 3 21.242 -1.587 -0.811 297 HE1 MET 3 HE1 MET 3 23.364 -0.617 -2.014 298 HE2 MET 3 HE2 MET 3 24.714 -1.597 -2.591 299 HE3 MET 3 HE3 MET 3 24.434 -1.415 -0.860 300 H LYS 4 H LYS 4 21.518 -4.361 2.852 301 HA LYS 4 HA LYS 4 19.184 -5.512 1.781 302 HB2 LYS 4 HB3 LYS 4 21.070 -6.300 3.964 303 HB3 LYS 4 HB2 LYS 4 19.571 -7.188 3.759 304 HG2 LYS 4 HG3 LYS 4 21.315 -8.340 2.601 305 HG3 LYS 4 HG2 LYS 4 20.212 -7.650 1.413 306 HD2 LYS 4 HD3 LYS 4 21.775 -5.770 1.093 307 HD3 LYS 4 HD2 LYS 4 22.881 -6.519 2.244 308 HE2 LYS 4 HE3 LYS 4 21.957 -7.762 -0.340 309 HE3 LYS 4 HE2 LYS 4 23.506 -6.958 -0.096 310 HZ1 LYS 4 HZ1 LYS 4 22.590 -9.359 1.392 311 HZ2 LYS 4 HZ2 LYS 4 24.106 -8.621 1.518 312 HZ3 LYS 4 HZ3 LYS 4 23.655 -9.386 0.078 313 H GLN 5 H GLN 5 19.735 -3.691 4.715 314 HA GLN 5 HA GLN 5 17.382 -4.315 6.096 315 HB2 GLN 5 HB3 GLN 5 19.297 -3.039 7.033 316 HB3 GLN 5 HB2 GLN 5 18.860 -1.674 6.020 317 HG2 GLN 5 HG3 GLN 5 16.883 -2.802 7.951 318 HG3 GLN 5 HG2 GLN 5 18.159 -1.729 8.511 319 HE21 GLN 5 HE21 GLN 5 18.167 -0.150 6.055 320 HE22 GLN 5 HE22 GLN 5 16.745 0.828 6.121 321 H LEU 6 H LEU 6 18.052 -1.854 3.640 322 HA LEU 6 HA LEU 6 15.419 -0.783 3.587 323 HB2 LEU 6 HB3 LEU 6 17.601 -0.720 1.494 324 HB3 LEU 6 HB2 LEU 6 16.086 0.148 1.362 325 HG LEU 6 HG LEU 6 18.128 0.601 3.540 326 HD11 LEU 6 HD11 LEU 6 18.976 1.288 1.362 327 HD12 LEU 6 HD12 LEU 6 18.607 2.689 2.367 328 HD13 LEU 6 HD13 LEU 6 17.505 2.217 1.073 329 HD21 LEU 6 HD21 LEU 6 15.600 2.068 2.798 330 HD22 LEU 6 HD22 LEU 6 16.784 2.620 3.980 331 HD23 LEU 6 HD23 LEU 6 15.882 1.134 4.267 332 H GLU 7 H GLU 7 17.042 -3.370 1.878 333 HA GLU 7 HA GLU 7 15.149 -3.890 -0.090 334 HB2 GLU 7 HB3 GLU 7 17.438 -4.829 -0.013 335 HB3 GLU 7 HB2 GLU 7 16.972 -5.828 1.353 336 HG2 GLU 7 HG3 GLU 7 15.350 -6.998 -0.061 337 HG3 GLU 7 HG2 GLU 7 15.865 -5.999 -1.440 338 H ASP 8 H ASP 8 15.367 -5.002 3.258 339 HA ASP 8 HA ASP 8 13.195 -6.788 3.227 340 HB2 ASP 8 HB3 ASP 8 14.508 -5.194 5.407 341 HB3 ASP 8 HB2 ASP 8 13.065 -6.142 5.738 342 H LYS 9 H LYS 9 13.360 -3.348 4.002 343 HA LYS 9 HA LYS 9 10.655 -2.875 4.566 344 HB2 LYS 9 HB3 LYS 9 12.122 -0.871 2.895 345 HB3 LYS 9 HB2 LYS 9 11.026 -0.608 4.239 346 HG2 LYS 9 HG3 LYS 9 13.829 -1.673 4.523 347 HG3 LYS 9 HG2 LYS 9 13.355 0.007 4.760 348 HD2 LYS 9 HD3 LYS 9 12.352 -2.353 6.359 349 HD3 LYS 9 HD2 LYS 9 13.568 -1.196 6.885 350 HE2 LYS 9 HE3 LYS 9 10.720 -0.501 6.181 351 HE3 LYS 9 HE2 LYS 9 11.323 -0.743 7.817 352 HZ1 LYS 9 HZ1 LYS 9 11.231 1.601 7.217 353 HZ2 LYS 9 HZ2 LYS 9 12.292 1.337 5.929 354 HZ3 LYS 9 HZ3 LYS 9 12.821 1.114 7.518 355 H VAL 10 H VAL 10 12.335 -2.783 1.470 356 HA VAL 10 HA VAL 10 10.222 -1.955 -0.177 357 HB VAL 10 HB VAL 10 12.523 -3.780 -0.908 358 HG11 VAL 10 HG11 VAL 10 10.721 -3.806 -2.561 359 HG12 VAL 10 HG12 VAL 10 12.152 -2.994 -3.191 360 HG13 VAL 10 HG13 VAL 10 10.769 -2.046 -2.647 361 HG21 VAL 10 HG21 VAL 10 13.575 -1.682 -1.733 362 HG22 VAL 10 HG22 VAL 10 13.387 -1.745 0.019 363 HG23 VAL 10 HG23 VAL 10 12.279 -0.776 -0.952 364 H GLU 11 H GLU 11 11.281 -5.027 1.020 365 HA GLU 11 HA GLU 11 9.547 -6.671 -0.538 366 HB2 GLU 11 HB3 GLU 11 11.723 -7.144 0.994 367 HB3 GLU 11 HB2 GLU 11 10.457 -7.656 2.099 368 HG2 GLU 11 HG3 GLU 11 10.906 -8.700 -0.687 369 HG3 GLU 11 HG2 GLU 11 11.321 -9.522 0.813 370 H GLU 12 H GLU 12 9.411 -5.615 2.891 371 HA GLU 12 HA GLU 12 6.995 -6.936 3.495 372 HB2 GLU 12 HB3 GLU 12 8.390 -4.577 4.731 373 HB3 GLU 12 HB2 GLU 12 6.870 -5.189 5.367 374 HG2 GLU 12 HG3 GLU 12 9.388 -6.807 5.057 375 HG3 GLU 12 HG2 GLU 12 8.828 -6.066 6.558 376 H LEU 13 H LEU 13 7.537 -3.540 2.736 377 HA LEU 13 HA LEU 13 4.971 -2.589 2.720 378 HB2 LEU 13 HB3 LEU 13 7.255 -1.824 0.915 379 HB3 LEU 13 HB2 LEU 13 5.783 -0.890 1.101 380 HG LEU 13 HG LEU 13 7.679 -1.507 3.367 381 HD11 LEU 13 HD11 LEU 13 8.418 0.814 3.141 382 HD12 LEU 13 HD12 LEU 13 7.426 0.986 1.693 383 HD13 LEU 13 HD13 LEU 13 8.790 -0.132 1.701 384 HD21 LEU 13 HD21 LEU 13 5.360 0.407 3.119 385 HD22 LEU 13 HD22 LEU 13 6.448 0.296 4.501 386 HD23 LEU 13 HD23 LEU 13 5.404 -1.064 4.091 387 H LEU 14 H LEU 14 6.562 -4.373 0.108 388 HA LEU 14 HA LEU 14 4.577 -4.041 -1.832 389 HB2 LEU 14 HB3 LEU 14 6.797 -5.937 -1.481 390 HB3 LEU 14 HB2 LEU 14 5.410 -6.625 -2.291 391 HG LEU 14 HG LEU 14 7.142 -5.717 -3.838 392 HD11 LEU 14 HD11 LEU 14 4.475 -4.313 -3.987 393 HD12 LEU 14 HD12 LEU 14 4.796 -5.960 -4.526 394 HD13 LEU 14 HD13 LEU 14 5.589 -4.601 -5.322 395 HD21 LEU 14 HD21 LEU 14 7.845 -3.800 -2.508 396 HD22 LEU 14 HD22 LEU 14 6.264 -3.053 -2.737 397 HD23 LEU 14 HD23 LEU 14 7.328 -3.307 -4.119 398 H SER 15 H SER 15 4.913 -6.531 0.662 399 HA SER 15 HA SER 15 2.570 -7.954 0.059 400 HB2 SER 15 HB3 SER 15 4.381 -8.737 1.592 401 HB3 SER 15 HB2 SER 15 3.834 -7.564 2.786 402 HG SER 15 HG SER 15 2.417 -9.798 1.755 403 H LYS 16 H LYS 16 3.170 -5.137 2.086 404 HA LYS 16 HA LYS 16 0.551 -4.866 3.120 405 HB2 LYS 16 HB3 LYS 16 2.592 -3.744 4.032 406 HB3 LYS 16 HB2 LYS 16 2.598 -2.693 2.625 407 HG2 LYS 16 HG3 LYS 16 1.606 -1.447 4.344 408 HG3 LYS 16 HG2 LYS 16 0.273 -1.977 3.318 409 HD2 LYS 16 HD3 LYS 16 -0.152 -3.836 4.884 410 HD3 LYS 16 HD2 LYS 16 1.135 -3.226 5.925 411 HE2 LYS 16 HE3 LYS 16 -1.433 -1.827 5.203 412 HE3 LYS 16 HE2 LYS 16 -0.994 -2.483 6.776 413 HZ1 LYS 16 HZ1 LYS 16 0.343 -0.226 5.388 414 HZ2 LYS 16 HZ2 LYS 16 0.801 -0.858 6.891 415 HZ3 LYS 16 HZ3 LYS 16 -0.705 -0.098 6.715 416 H ASN 17 H ASN 17 2.218 -3.371 0.374 417 HA ASN 17 HA ASN 17 0.258 -1.712 -0.630 418 HB2 ASN 17 HB3 ASN 17 2.541 -1.814 -1.520 419 HB3 ASN 17 HB2 ASN 17 2.228 -3.430 -2.144 420 HD21 ASN 17 HD21 ASN 17 2.913 -2.458 -4.274 421 HD22 ASN 17 HD22 ASN 17 1.732 -1.605 -5.183 422 H TYR 18 H TYR 18 0.784 -5.130 -1.469 423 HA TYR 18 HA TYR 18 -1.419 -5.235 -3.266 424 HB2 TYR 18 HB3 TYR 18 0.175 -7.427 -1.935 425 HB3 TYR 18 HB2 TYR 18 -1.135 -7.753 -3.063 426 HD1 TYR 18 HD1 TYR 18 2.040 -8.264 -3.111 427 HD2 TYR 18 HD2 TYR 18 -0.613 -5.543 -5.048 428 HE1 TYR 18 HE1 TYR 18 3.616 -8.056 -4.983 429 HE2 TYR 18 HE2 TYR 18 0.962 -5.336 -6.915 430 HH TYR 18 HH TYR 18 3.383 -5.632 -7.334 431 H HIS 19 H HIS 19 -1.068 -5.842 0.149 432 HA HIS 19 HA HIS 19 -3.409 -7.322 0.589 433 HB2 HIS 19 HB3 HIS 19 -1.518 -6.952 2.229 434 HB3 HIS 19 HB2 HIS 19 -2.182 -5.350 2.524 435 HD1 HIS 19 HD1 HIS 19 -2.414 -8.795 3.630 436 HD2 HIS 19 HD2 HIS 19 -4.910 -5.470 3.634 437 HE1 HIS 19 HE1 HIS 19 -4.210 -9.297 5.318 438 HE2 HIS 19 HE2 HIS 19 -5.788 -7.338 5.191 439 H LEU 20 H LEU 20 -2.826 -3.814 0.733 440 HA LEU 20 HA LEU 20 -5.539 -3.278 1.469 441 HB2 LEU 20 HB3 LEU 20 -3.278 -1.470 0.670 442 HB3 LEU 20 HB2 LEU 20 -4.897 -0.884 0.943 443 HG LEU 20 HG LEU 20 -3.468 -0.520 2.887 444 HD11 LEU 20 HD11 LEU 20 -5.866 -0.800 3.174 445 HD12 LEU 20 HD12 LEU 20 -4.971 -1.411 4.563 446 HD13 LEU 20 HD13 LEU 20 -5.644 -2.535 3.382 447 HD21 LEU 20 HD21 LEU 20 -1.952 -2.331 2.819 448 HD22 LEU 20 HD22 LEU 20 -3.261 -3.511 2.899 449 HD23 LEU 20 HD23 LEU 20 -2.904 -2.496 4.295 450 H GLU 21 H GLU 21 -3.722 -3.219 -1.569 451 HA GLU 21 HA GLU 21 -5.643 -1.923 -3.139 452 HB2 GLU 21 HB3 GLU 21 -3.716 -4.115 -3.932 453 HB3 GLU 21 HB2 GLU 21 -4.665 -3.178 -5.074 454 HG2 GLU 21 HG3 GLU 21 -3.524 -1.124 -4.194 455 HG3 GLU 21 HG2 GLU 21 -2.474 -2.191 -3.264 456 H ASN 22 H ASN 22 -5.311 -5.365 -2.348 457 HA ASN 22 HA ASN 22 -7.541 -6.241 -3.822 458 HB2 ASN 22 HB3 ASN 22 -6.054 -7.371 -1.474 459 HB3 ASN 22 HB2 ASN 22 -7.547 -8.128 -2.020 460 HD21 ASN 22 HD21 ASN 22 -7.618 -9.079 -4.066 461 HD22 ASN 22 HD22 ASN 22 -6.175 -9.516 -4.915 462 H GLU 23 H GLU 23 -7.249 -5.258 -0.416 463 HA GLU 23 HA GLU 23 -9.898 -5.650 0.350 464 HB2 GLU 23 HB3 GLU 23 -7.695 -3.883 1.302 465 HB3 GLU 23 HB2 GLU 23 -9.319 -3.573 1.897 466 HG2 GLU 23 HG3 GLU 23 -7.948 -6.242 2.071 467 HG3 GLU 23 HG2 GLU 23 -7.939 -5.035 3.356 468 H VAL 24 H VAL 24 -8.386 -2.738 -1.020 469 HA VAL 24 HA VAL 24 -10.595 -1.064 -1.008 470 HB VAL 24 HB VAL 24 -8.321 -1.218 -2.994 471 HG11 VAL 24 HG11 VAL 24 -10.384 0.961 -2.681 472 HG12 VAL 24 HG12 VAL 24 -10.245 -0.136 -4.054 473 HG13 VAL 24 HG13 VAL 24 -8.961 1.026 -3.720 474 HG21 VAL 24 HG21 VAL 24 -8.885 0.539 -0.615 475 HG22 VAL 24 HG22 VAL 24 -7.584 0.820 -1.765 476 HG23 VAL 24 HG23 VAL 24 -7.590 -0.647 -0.784 477 H ALA 25 H ALA 25 -9.483 -3.228 -3.618 478 HA ALA 25 HA ALA 25 -11.487 -2.711 -5.472 479 HB1 ALA 25 HB1 ALA 25 -10.025 -5.313 -5.050 480 HB2 ALA 25 HB2 ALA 25 -9.428 -3.934 -5.976 481 HB3 ALA 25 HB3 ALA 25 -10.858 -4.809 -6.521 482 H ARG 26 H ARG 26 -11.485 -5.036 -2.809 483 HA ARG 26 HA ARG 26 -13.878 -6.374 -3.470 484 HB2 ARG 26 HB3 ARG 26 -12.666 -5.903 -0.736 485 HB3 ARG 26 HB2 ARG 26 -13.892 -7.102 -1.122 486 HG2 ARG 26 HG3 ARG 26 -12.361 -8.328 -2.481 487 HG3 ARG 26 HG2 ARG 26 -11.154 -7.047 -2.347 488 HD2 ARG 26 HD2 ARG 26 -11.012 -7.456 0.071 489 HD3 ARG 26 HD1 ARG 26 -12.187 -8.761 -0.090 490 HE ARG 26 HE ARG 26 -10.456 -9.756 -1.674 491 HH11 ARG 26 HH11 ARG 26 -9.624 -7.780 1.102 492 HH12 ARG 26 HH12 ARG 26 -8.069 -8.526 1.313 493 HH21 ARG 26 HH21 ARG 26 -8.414 -10.735 -1.384 494 HH22 ARG 26 HH22 ARG 26 -7.385 -10.210 -0.090 495 H LEU 27 H LEU 27 -13.194 -3.731 -1.230 496 HA LEU 27 HA LEU 27 -15.875 -3.303 -0.464 497 HB2 LEU 27 HB3 LEU 27 -13.577 -1.346 -0.406 498 HB3 LEU 27 HB2 LEU 27 -15.061 -1.235 0.526 499 HG LEU 27 HG LEU 27 -13.034 -3.445 0.811 500 HD11 LEU 27 HD11 LEU 27 -12.133 -1.275 1.498 501 HD12 LEU 27 HD12 LEU 27 -12.376 -2.357 2.866 502 HD13 LEU 27 HD13 LEU 27 -13.518 -1.049 2.568 503 HD21 LEU 27 HD21 LEU 27 -15.446 -2.701 2.458 504 HD22 LEU 27 HD22 LEU 27 -14.270 -3.946 2.872 505 HD23 LEU 27 HD23 LEU 27 -15.278 -4.129 1.436 506 H LYS 28 H LYS 28 -14.099 -2.258 -3.267 507 HA LYS 28 HA LYS 28 -15.662 0.014 -3.907 508 HB2 LYS 28 HB3 LYS 28 -13.948 -1.795 -5.616 509 HB3 LYS 28 HB2 LYS 28 -14.786 -0.394 -6.260 510 HG2 LYS 28 HG3 LYS 28 -12.764 -0.269 -4.038 511 HG3 LYS 28 HG2 LYS 28 -12.380 -0.036 -5.744 512 HD2 LYS 28 HD3 LYS 28 -14.053 1.835 -5.781 513 HD3 LYS 28 HD2 LYS 28 -14.188 1.660 -4.014 514 HE2 LYS 28 HE3 LYS 28 -11.749 2.074 -3.837 515 HE3 LYS 28 HE2 LYS 28 -11.686 2.325 -5.577 516 HZ1 LYS 28 HZ1 LYS 28 -12.986 4.267 -5.392 517 HZ2 LYS 28 HZ2 LYS 28 -11.810 4.384 -4.175 518 HZ3 LYS 28 HZ3 LYS 28 -13.399 3.948 -3.784 519 H LYS 29 H LYS 29 -15.709 -3.355 -5.127 520 HA LYS 29 HA LYS 29 -17.991 -2.996 -6.744 521 HB2 LYS 29 HB3 LYS 29 -18.110 -5.420 -6.863 522 HB3 LYS 29 HB2 LYS 29 -16.452 -4.868 -7.050 523 HG2 LYS 29 HG3 LYS 29 -15.914 -5.530 -4.817 524 HG3 LYS 29 HG2 LYS 29 -17.605 -5.902 -4.475 525 HD2 LYS 29 HD3 LYS 29 -17.530 -7.630 -6.242 526 HD3 LYS 29 HD2 LYS 29 -15.807 -7.311 -6.442 527 HE2 LYS 29 HE3 LYS 29 -15.372 -7.986 -4.167 528 HE3 LYS 29 HE2 LYS 29 -17.096 -8.175 -3.858 529 HZ1 LYS 29 HZ1 LYS 29 -16.038 -10.301 -4.254 530 HZ2 LYS 29 HZ2 LYS 29 -15.492 -9.786 -5.767 531 HZ3 LYS 29 HZ3 LYS 29 -17.149 -9.964 -5.485 532 H LEU 30 H LEU 30 -17.665 -3.433 -3.339 533 HA LEU 30 HA LEU 30 -20.350 -4.340 -2.904 534 HB2 LEU 30 HB3 LEU 30 -18.353 -3.128 -0.992 535 HB3 LEU 30 HB2 LEU 30 -19.884 -3.843 -0.523 536 HG LEU 30 HG LEU 30 -17.564 -5.297 -1.798 537 HD11 LEU 30 HD11 LEU 30 -18.712 -5.464 0.984 538 HD12 LEU 30 HD12 LEU 30 -17.190 -4.691 0.543 539 HD13 LEU 30 HD13 LEU 30 -17.384 -6.433 0.344 540 HD21 LEU 30 HD21 LEU 30 -19.648 -6.261 -2.549 541 HD22 LEU 30 HD22 LEU 30 -20.261 -6.301 -0.895 542 HD23 LEU 30 HD23 LEU 30 -18.904 -7.324 -1.357 543 H VAL 31 H VAL 31 -18.691 -1.228 -2.291 544 HA VAL 31 HA VAL 31 -21.033 0.213 -1.679 545 HB VAL 31 HB VAL 31 -18.424 1.266 -2.795 546 HG11 VAL 31 HG11 VAL 31 -20.607 2.694 -1.282 547 HG12 VAL 31 HG12 VAL 31 -20.219 2.899 -2.991 548 HG13 VAL 31 HG13 VAL 31 -19.056 3.388 -1.758 549 HG21 VAL 31 HG21 VAL 31 -18.071 -0.007 -0.760 550 HG22 VAL 31 HG22 VAL 31 -19.332 0.916 0.057 551 HG23 VAL 31 HG23 VAL 31 -17.846 1.715 -0.454 552 H GLY 32 H GLY 32 -19.479 -0.511 -4.758 553 HA2 GLY 32 HA3 GLY 32 -21.281 -0.491 -6.580 554 HA3 GLY 32 HA2 GLY 32 -21.434 1.206 -6.136 555 H GLU 33 H GLU 33 -19.507 -1.173 -7.751 556 HA GLU 33 HA GLU 33 -17.630 0.928 -8.594 557 HB2 GLU 33 HB3 GLU 33 -16.822 -1.159 -7.272 558 HB3 GLU 33 HB2 GLU 33 -17.109 -2.039 -8.760 559 HG2 GLU 33 HG3 GLU 33 -15.243 0.320 -8.568 560 HG3 GLU 33 HG2 GLU 33 -14.744 -1.347 -8.328 Start of MODEL 9 1 H1 GLY 1 H1 GLY 1 21.315 -2.547 -8.353 2 H2 GLY 1 H2 GLY 1 19.719 -2.649 -8.901 3 H3 GLY 1 H3 GLY 1 20.104 -3.122 -7.324 4 HA2 GLY 1 HA2 GLY 1 20.319 -0.366 -8.392 5 HA3 GLY 1 HA3 GLY 1 19.023 -0.954 -7.360 6 H SER 2 H SER 2 20.735 1.227 -6.747 7 HA SER 2 HA SER 2 22.609 0.283 -4.763 8 HB2 SER 2 HB3 SER 2 22.944 2.728 -4.353 9 HB3 SER 2 HB2 SER 2 23.191 2.262 -6.035 10 HG SER 2 HG SER 2 21.865 3.928 -6.275 11 H MET 3 H MET 3 22.428 1.569 -2.532 12 HA MET 3 HA MET 3 20.013 0.670 -1.319 13 HB2 MET 3 HB3 MET 3 20.936 1.319 0.728 14 HB3 MET 3 HB2 MET 3 22.386 1.023 -0.225 15 HG2 MET 3 HG3 MET 3 22.590 3.422 -0.643 16 HG3 MET 3 HG2 MET 3 21.154 3.713 0.335 17 HE1 MET 3 HE1 MET 3 22.386 2.520 3.883 18 HE2 MET 3 HE2 MET 3 21.647 1.475 2.669 19 HE3 MET 3 HE3 MET 3 21.016 3.103 2.935 20 H LYS 4 H LYS 4 21.086 3.721 -2.649 21 HA LYS 4 HA LYS 4 19.049 5.368 -1.622 22 HB2 LYS 4 HB3 LYS 4 20.985 6.325 -2.731 23 HB3 LYS 4 HB2 LYS 4 20.556 5.530 -4.239 24 HG2 LYS 4 HG3 LYS 4 18.501 6.875 -4.341 25 HG3 LYS 4 HG2 LYS 4 18.988 7.699 -2.860 26 HD2 LYS 4 HD3 LYS 4 20.614 7.665 -5.399 27 HD3 LYS 4 HD2 LYS 4 19.504 8.959 -4.947 28 HE2 LYS 4 HE3 LYS 4 20.800 9.381 -2.929 29 HE3 LYS 4 HE2 LYS 4 21.891 8.061 -3.340 30 HZ1 LYS 4 HZ1 LYS 4 22.792 10.232 -3.942 31 HZ2 LYS 4 HZ2 LYS 4 21.479 10.504 -4.976 32 HZ3 LYS 4 HZ3 LYS 4 22.572 9.257 -5.304 33 H GLN 5 H GLN 5 19.246 3.473 -4.615 34 HA GLN 5 HA GLN 5 16.723 4.138 -5.635 35 HB2 GLN 5 HB3 GLN 5 18.405 1.657 -5.984 36 HB3 GLN 5 HB2 GLN 5 16.929 1.961 -6.889 37 HG2 GLN 5 HG3 GLN 5 19.379 3.708 -6.907 38 HG3 GLN 5 HG2 GLN 5 18.932 2.548 -8.158 39 HE21 GLN 5 HE21 GLN 5 18.221 5.626 -6.714 40 HE22 GLN 5 HE22 GLN 5 17.160 6.191 -7.956 41 H LEU 6 H LEU 6 17.722 1.684 -3.327 42 HA LEU 6 HA LEU 6 15.169 0.423 -3.160 43 HB2 LEU 6 HB3 LEU 6 17.464 0.428 -1.191 44 HB3 LEU 6 HB2 LEU 6 16.034 -0.573 -1.054 45 HG LEU 6 HG LEU 6 18.073 -0.729 -3.279 46 HD11 LEU 6 HD11 LEU 6 17.510 -2.585 -0.977 47 HD12 LEU 6 HD12 LEU 6 18.931 -1.559 -1.162 48 HD13 LEU 6 HD13 LEU 6 18.647 -2.884 -2.291 49 HD21 LEU 6 HD21 LEU 6 15.610 -2.379 -2.725 50 HD22 LEU 6 HD22 LEU 6 16.846 -2.768 -3.920 51 HD23 LEU 6 HD23 LEU 6 15.876 -1.309 -4.102 52 H GLU 7 H GLU 7 16.765 3.034 -1.430 53 HA GLU 7 HA GLU 7 14.839 3.403 0.583 54 HB2 GLU 7 HB3 GLU 7 16.999 4.413 0.814 55 HB3 GLU 7 HB2 GLU 7 16.829 5.273 -0.708 56 HG2 GLU 7 HG3 GLU 7 14.984 6.584 0.295 57 HG3 GLU 7 HG2 GLU 7 15.324 5.791 1.851 58 H ASP 8 H ASP 8 15.203 4.835 -2.646 59 HA ASP 8 HA ASP 8 12.972 6.539 -2.534 60 HB2 ASP 8 HB3 ASP 8 14.498 5.280 -4.787 61 HB3 ASP 8 HB2 ASP 8 13.023 6.181 -5.119 62 H LYS 9 H LYS 9 13.270 3.136 -3.245 63 HA LYS 9 HA LYS 9 10.609 2.716 -4.143 64 HB2 LYS 9 HB3 LYS 9 12.672 0.915 -2.896 65 HB3 LYS 9 HB2 LYS 9 11.074 0.357 -3.325 66 HG2 LYS 9 HG3 LYS 9 11.518 0.819 -5.683 67 HG3 LYS 9 HG2 LYS 9 13.085 1.517 -5.259 68 HD2 LYS 9 HD3 LYS 9 13.817 -0.645 -4.404 69 HD3 LYS 9 HD2 LYS 9 12.245 -1.342 -4.795 70 HE2 LYS 9 HE3 LYS 9 14.175 -0.145 -6.781 71 HE3 LYS 9 HE2 LYS 9 13.946 -1.869 -6.491 72 HZ1 LYS 9 HZ1 LYS 9 11.623 -1.609 -7.180 73 HZ2 LYS 9 HZ2 LYS 9 12.696 -1.180 -8.412 74 HZ3 LYS 9 HZ3 LYS 9 11.903 0.020 -7.530 75 H VAL 10 H VAL 10 12.170 2.415 -1.010 76 HA VAL 10 HA VAL 10 10.014 1.460 0.516 77 HB VAL 10 HB VAL 10 12.254 3.312 1.386 78 HG11 VAL 10 HG11 VAL 10 10.381 3.321 2.963 79 HG12 VAL 10 HG12 VAL 10 11.800 2.530 3.649 80 HG13 VAL 10 HG13 VAL 10 10.451 1.561 3.053 81 HG21 VAL 10 HG21 VAL 10 13.341 1.273 2.207 82 HG22 VAL 10 HG22 VAL 10 13.106 1.234 0.459 83 HG23 VAL 10 HG23 VAL 10 12.038 0.308 1.514 84 H GLU 11 H GLU 11 10.888 4.457 -0.796 85 HA GLU 11 HA GLU 11 9.135 6.111 0.796 86 HB2 GLU 11 HB3 GLU 11 11.341 6.800 -0.317 87 HB3 GLU 11 HB2 GLU 11 10.434 6.874 -1.817 88 HG2 GLU 11 HG3 GLU 11 9.750 8.467 0.642 89 HG3 GLU 11 HG2 GLU 11 10.768 9.058 -0.667 90 H GLU 12 H GLU 12 9.188 5.198 -2.694 91 HA GLU 12 HA GLU 12 6.717 6.499 -3.211 92 HB2 GLU 12 HB3 GLU 12 6.759 5.255 -5.376 93 HB3 GLU 12 HB2 GLU 12 8.226 6.155 -5.033 94 HG2 GLU 12 HG3 GLU 12 9.306 4.082 -4.300 95 HG3 GLU 12 HG2 GLU 12 7.840 3.192 -4.703 96 H LEU 13 H LEU 13 7.487 3.086 -2.672 97 HA LEU 13 HA LEU 13 4.908 2.057 -2.937 98 HB2 LEU 13 HB3 LEU 13 7.168 1.112 -1.177 99 HB3 LEU 13 HB2 LEU 13 5.711 0.190 -1.499 100 HG LEU 13 HG LEU 13 7.747 1.024 -3.570 101 HD11 LEU 13 HD11 LEU 13 7.163 -1.669 -2.349 102 HD12 LEU 13 HD12 LEU 13 8.596 -0.685 -2.057 103 HD13 LEU 13 HD13 LEU 13 8.298 -1.352 -3.661 104 HD21 LEU 13 HD21 LEU 13 5.273 -0.689 -3.793 105 HD22 LEU 13 HD22 LEU 13 6.487 -0.482 -5.055 106 HD23 LEU 13 HD23 LEU 13 5.522 0.896 -4.527 107 H LEU 14 H LEU 14 6.509 3.401 -0.061 108 HA LEU 14 HA LEU 14 4.473 2.816 1.762 109 HB2 LEU 14 HB3 LEU 14 6.773 3.460 2.387 110 HB3 LEU 14 HB2 LEU 14 6.456 5.093 1.846 111 HG LEU 14 HG LEU 14 4.668 5.252 3.593 112 HD11 LEU 14 HD11 LEU 14 4.783 3.615 5.447 113 HD12 LEU 14 HD12 LEU 14 5.838 2.611 4.454 114 HD13 LEU 14 HD13 LEU 14 4.180 2.923 3.943 115 HD21 LEU 14 HD21 LEU 14 6.891 6.196 3.931 116 HD22 LEU 14 HD22 LEU 14 7.460 4.649 4.557 117 HD23 LEU 14 HD23 LEU 14 6.237 5.559 5.441 118 H SER 15 H SER 15 5.038 5.682 -0.292 119 HA SER 15 HA SER 15 2.904 7.236 0.601 120 HB2 SER 15 HB3 SER 15 4.565 8.101 -0.965 121 HB3 SER 15 HB2 SER 15 4.020 6.971 -2.205 122 HG SER 15 HG SER 15 3.018 9.392 -1.523 123 H LYS 16 H LYS 16 2.968 4.767 -1.949 124 HA LYS 16 HA LYS 16 0.209 4.925 -2.576 125 HB2 LYS 16 HB3 LYS 16 1.855 3.991 -4.118 126 HB3 LYS 16 HB2 LYS 16 2.201 2.688 -2.995 127 HG2 LYS 16 HG3 LYS 16 -0.106 1.873 -3.273 128 HG3 LYS 16 HG2 LYS 16 -0.393 3.156 -4.451 129 HD2 LYS 16 HD3 LYS 16 1.259 2.260 -5.932 130 HD3 LYS 16 HD2 LYS 16 1.794 1.098 -4.720 131 HE2 LYS 16 HE3 LYS 16 0.436 -0.036 -6.344 132 HE3 LYS 16 HE2 LYS 16 -0.439 0.036 -4.817 133 HZ1 LYS 16 HZ1 LYS 16 -1.912 0.541 -6.605 134 HZ2 LYS 16 HZ2 LYS 16 -0.883 1.752 -7.194 135 HZ3 LYS 16 HZ3 LYS 16 -1.663 1.957 -5.710 136 H ASN 17 H ASN 17 2.093 2.894 -0.392 137 HA ASN 17 HA ASN 17 0.138 1.117 0.465 138 HB2 ASN 17 HB3 ASN 17 2.539 0.963 1.037 139 HB3 ASN 17 HB2 ASN 17 2.372 2.362 2.086 140 HD21 ASN 17 HD21 ASN 17 1.827 -1.051 1.769 141 HD22 ASN 17 HD22 ASN 17 1.292 -1.303 3.386 142 H TYR 18 H TYR 18 1.055 4.233 1.942 143 HA TYR 18 HA TYR 18 -0.966 4.202 3.910 144 HB2 TYR 18 HB3 TYR 18 0.661 6.433 2.711 145 HB3 TYR 18 HB2 TYR 18 -0.605 6.763 3.885 146 HD1 TYR 18 HD1 TYR 18 -0.212 4.405 5.708 147 HD2 TYR 18 HD2 TYR 18 2.602 7.045 3.900 148 HE1 TYR 18 HE1 TYR 18 1.364 3.978 7.537 149 HE2 TYR 18 HE2 TYR 18 4.183 6.606 5.726 150 HH TYR 18 HH TYR 18 3.722 4.076 7.994 151 H HIS 19 H HIS 19 -0.881 5.372 0.615 152 HA HIS 19 HA HIS 19 -3.287 6.810 0.587 153 HB2 HIS 19 HB3 HIS 19 -1.423 6.649 -1.201 154 HB3 HIS 19 HB2 HIS 19 -2.283 5.223 -1.764 155 HD1 HIS 19 HD1 HIS 19 -5.081 5.887 -2.098 156 HD2 HIS 19 HD2 HIS 19 -2.150 8.810 -2.593 157 HE1 HIS 19 HE1 HIS 19 -6.125 7.673 -3.522 158 HE2 HIS 19 HE2 HIS 19 -4.309 9.375 -3.894 159 H LEU 20 H LEU 20 -2.617 3.420 -0.302 160 HA LEU 20 HA LEU 20 -5.246 2.755 -1.008 161 HB2 LEU 20 HB3 LEU 20 -3.090 0.940 0.066 162 HB3 LEU 20 HB2 LEU 20 -4.560 0.417 -0.729 163 HG LEU 20 HG LEU 20 -2.400 2.071 -2.036 164 HD11 LEU 20 HD11 LEU 20 -3.084 -0.846 -2.299 165 HD12 LEU 20 HD12 LEU 20 -1.621 -0.173 -1.582 166 HD13 LEU 20 HD13 LEU 20 -1.932 0.028 -3.306 167 HD21 LEU 20 HD21 LEU 20 -4.571 2.529 -2.991 168 HD22 LEU 20 HD22 LEU 20 -4.907 0.805 -3.130 169 HD23 LEU 20 HD23 LEU 20 -3.633 1.537 -4.107 170 H GLU 21 H GLU 21 -3.591 2.654 2.108 171 HA GLU 21 HA GLU 21 -5.598 1.180 3.444 172 HB2 GLU 21 HB3 GLU 21 -3.113 1.885 4.153 173 HB3 GLU 21 HB2 GLU 21 -3.987 3.163 4.981 174 HG2 GLU 21 HG3 GLU 21 -5.362 1.405 6.096 175 HG3 GLU 21 HG2 GLU 21 -4.303 0.193 5.374 176 H ASN 22 H ASN 22 -5.342 4.490 2.516 177 HA ASN 22 HA ASN 22 -7.289 5.560 4.296 178 HB2 ASN 22 HB3 ASN 22 -6.399 6.515 1.565 179 HB3 ASN 22 HB2 ASN 22 -7.443 7.426 2.649 180 HD21 ASN 22 HD21 ASN 22 -4.843 8.108 1.558 181 HD22 ASN 22 HD22 ASN 22 -3.806 8.391 2.915 182 H GLU 23 H GLU 23 -7.457 4.516 0.886 183 HA GLU 23 HA GLU 23 -10.214 4.851 0.572 184 HB2 GLU 23 HB3 GLU 23 -8.261 3.015 -0.800 185 HB3 GLU 23 HB2 GLU 23 -9.972 3.001 -1.202 186 HG2 GLU 23 HG3 GLU 23 -8.954 4.374 -2.798 187 HG3 GLU 23 HG2 GLU 23 -9.757 5.467 -1.675 188 H VAL 24 H VAL 24 -8.360 2.059 1.729 189 HA VAL 24 HA VAL 24 -10.380 0.179 1.921 190 HB VAL 24 HB VAL 24 -8.117 0.601 3.885 191 HG11 VAL 24 HG11 VAL 24 -8.438 -1.762 4.465 192 HG12 VAL 24 HG12 VAL 24 -9.848 -1.822 3.408 193 HG13 VAL 24 HG13 VAL 24 -9.865 -0.796 4.841 194 HG21 VAL 24 HG21 VAL 24 -8.317 -1.193 1.469 195 HG22 VAL 24 HG22 VAL 24 -6.968 -1.135 2.603 196 HG23 VAL 24 HG23 VAL 24 -7.336 0.267 1.598 197 H ALA 25 H ALA 25 -9.339 2.504 4.410 198 HA ALA 25 HA ALA 25 -11.280 1.876 6.328 199 HB1 ALA 25 HB1 ALA 25 -10.686 3.985 7.379 200 HB2 ALA 25 HB2 ALA 25 -9.869 4.503 5.904 201 HB3 ALA 25 HB3 ALA 25 -9.245 3.133 6.824 202 H ARG 26 H ARG 26 -11.309 4.388 3.801 203 HA ARG 26 HA ARG 26 -13.725 5.608 4.540 204 HB2 ARG 26 HB3 ARG 26 -12.544 5.338 1.769 205 HB3 ARG 26 HB2 ARG 26 -13.799 6.472 2.238 206 HG2 ARG 26 HG3 ARG 26 -10.968 6.437 3.243 207 HG3 ARG 26 HG2 ARG 26 -11.646 7.569 2.071 208 HD2 ARG 26 HD2 ARG 26 -11.790 8.819 3.986 209 HD3 ARG 26 HD1 ARG 26 -13.367 8.035 3.999 210 HE ARG 26 HE ARG 26 -11.153 6.823 5.492 211 HH11 ARG 26 HH11 ARG 26 -14.249 8.460 5.499 212 HH12 ARG 26 HH12 ARG 26 -14.547 8.148 7.178 213 HH21 ARG 26 HH21 ARG 26 -11.540 6.424 7.702 214 HH22 ARG 26 HH22 ARG 26 -13.014 6.987 8.426 215 H LEU 27 H LEU 27 -13.065 3.140 2.090 216 HA LEU 27 HA LEU 27 -15.725 2.707 1.309 217 HB2 LEU 27 HB3 LEU 27 -13.365 0.824 1.238 218 HB3 LEU 27 HB2 LEU 27 -14.883 0.551 0.405 219 HG LEU 27 HG LEU 27 -13.063 2.891 -0.112 220 HD11 LEU 27 HD11 LEU 27 -11.981 0.816 -0.734 221 HD12 LEU 27 HD12 LEU 27 -12.449 1.730 -2.166 222 HD13 LEU 27 HD13 LEU 27 -13.401 0.334 -1.659 223 HD21 LEU 27 HD21 LEU 27 -15.468 1.852 -1.599 224 HD22 LEU 27 HD22 LEU 27 -14.428 3.174 -2.128 225 HD23 LEU 27 HD23 LEU 27 -15.387 3.341 -0.660 226 H LYS 28 H LYS 28 -13.953 1.541 4.059 227 HA LYS 28 HA LYS 28 -15.552 -0.718 4.650 228 HB2 LYS 28 HB3 LYS 28 -13.220 0.332 5.650 229 HB3 LYS 28 HB2 LYS 28 -14.359 0.694 6.938 230 HG2 LYS 28 HG3 LYS 28 -13.383 -1.384 7.472 231 HG3 LYS 28 HG2 LYS 28 -15.010 -1.740 6.888 232 HD2 LYS 28 HD3 LYS 28 -14.097 -2.275 4.675 233 HD3 LYS 28 HD2 LYS 28 -12.461 -1.933 5.279 234 HE2 LYS 28 HE3 LYS 28 -14.322 -4.105 6.252 235 HE3 LYS 28 HE2 LYS 28 -12.891 -4.324 5.241 236 HZ1 LYS 28 HZ1 LYS 28 -12.878 -3.259 8.015 237 HZ2 LYS 28 HZ2 LYS 28 -11.521 -3.536 7.048 238 HZ3 LYS 28 HZ3 LYS 28 -12.463 -4.836 7.572 239 H LYS 29 H LYS 29 -15.486 2.593 5.978 240 HA LYS 29 HA LYS 29 -17.771 2.384 7.567 241 HB2 LYS 29 HB3 LYS 29 -16.270 4.244 7.832 242 HB3 LYS 29 HB2 LYS 29 -16.523 4.755 6.171 243 HG2 LYS 29 HG3 LYS 29 -18.903 5.234 6.756 244 HG3 LYS 29 HG2 LYS 29 -18.501 4.893 8.441 245 HD2 LYS 29 HD3 LYS 29 -16.881 6.687 8.454 246 HD3 LYS 29 HD2 LYS 29 -17.164 6.996 6.739 247 HE2 LYS 29 HE3 LYS 29 -18.353 8.613 8.117 248 HE3 LYS 29 HE2 LYS 29 -19.487 7.590 7.236 249 HZ1 LYS 29 HZ1 LYS 29 -18.700 7.215 10.075 250 HZ2 LYS 29 HZ2 LYS 29 -19.835 6.295 9.226 251 HZ3 LYS 29 HZ3 LYS 29 -20.143 7.923 9.551 252 H LEU 30 H LEU 30 -17.411 3.075 4.143 253 HA LEU 30 HA LEU 30 -20.067 3.977 3.716 254 HB2 LEU 30 HB3 LEU 30 -18.089 2.809 1.762 255 HB3 LEU 30 HB2 LEU 30 -19.579 3.620 1.324 256 HG LEU 30 HG LEU 30 -17.234 4.893 2.736 257 HD11 LEU 30 HD11 LEU 30 -16.746 4.403 0.416 258 HD12 LEU 30 HD12 LEU 30 -16.966 6.137 0.639 259 HD13 LEU 30 HD13 LEU 30 -18.251 5.172 -0.085 260 HD21 LEU 30 HD21 LEU 30 -19.329 5.903 3.435 261 HD22 LEU 30 HD22 LEU 30 -19.824 6.086 1.753 262 HD23 LEU 30 HD23 LEU 30 -18.448 6.998 2.370 263 H VAL 31 H VAL 31 -18.514 0.846 2.912 264 HA VAL 31 HA VAL 31 -20.948 -0.405 2.206 265 HB VAL 31 HB VAL 31 -18.643 -1.143 1.522 266 HG11 VAL 31 HG11 VAL 31 -17.527 -1.085 3.661 267 HG12 VAL 31 HG12 VAL 31 -17.468 -2.719 3.000 268 HG13 VAL 31 HG13 VAL 31 -18.607 -2.330 4.289 269 HG21 VAL 31 HG21 VAL 31 -20.503 -3.200 2.688 270 HG22 VAL 31 HG22 VAL 31 -19.205 -3.542 1.544 271 HG23 VAL 31 HG23 VAL 31 -20.558 -2.519 1.063 272 H GLY 32 H GLY 32 -19.618 0.331 5.288 273 HA2 GLY 32 HA3 GLY 32 -20.857 -1.833 6.713 274 HA3 GLY 32 HA2 GLY 32 -20.086 -0.421 7.419 275 H GLU 33 H GLU 33 -22.932 -1.178 5.440 276 HA GLU 33 HA GLU 33 -24.459 0.854 6.885 277 HB2 GLU 33 HB3 GLU 33 -24.484 0.719 4.356 278 HB3 GLU 33 HB2 GLU 33 -25.329 -0.814 4.516 279 HG2 GLU 33 HG3 GLU 33 -26.953 0.856 4.084 280 HG3 GLU 33 HG2 GLU 33 -27.114 0.390 5.777 281 H1 GLY 1 H1 GLY 1 21.405 2.260 8.803 282 H2 GLY 1 H2 GLY 1 19.814 2.333 9.370 283 H3 GLY 1 H3 GLY 1 20.178 2.842 7.799 284 HA2 GLY 1 HA2 GLY 1 20.437 0.069 8.805 285 HA3 GLY 1 HA3 GLY 1 19.123 0.661 7.801 286 H SER 2 H SER 2 20.851 -1.485 7.134 287 HA SER 2 HA SER 2 22.689 -0.483 5.140 288 HB2 SER 2 HB3 SER 2 23.069 -2.906 4.687 289 HB3 SER 2 HB2 SER 2 23.316 -2.474 6.378 290 HG SER 2 HG SER 2 22.011 -4.141 6.628 291 H MET 3 H MET 3 22.502 -1.734 2.892 292 HA MET 3 HA MET 3 20.054 -0.868 1.727 293 HB2 MET 3 HB3 MET 3 20.955 -1.480 -0.343 294 HB3 MET 3 HB2 MET 3 22.413 -1.167 0.591 295 HG2 MET 3 HG3 MET 3 22.666 -3.565 0.980 296 HG3 MET 3 HG2 MET 3 21.223 -3.872 0.019 297 HE1 MET 3 HE1 MET 3 22.380 -2.616 -3.531 298 HE2 MET 3 HE2 MET 3 21.634 -1.606 -2.294 299 HE3 MET 3 HE3 MET 3 21.038 -3.243 -2.574 300 H LYS 4 H LYS 4 21.193 -3.914 3.009 301 HA LYS 4 HA LYS 4 19.169 -5.579 1.978 302 HB2 LYS 4 HB3 LYS 4 21.132 -6.525 3.045 303 HB3 LYS 4 HB2 LYS 4 20.713 -5.761 4.572 304 HG2 LYS 4 HG3 LYS 4 18.677 -7.137 4.679 305 HG3 LYS 4 HG2 LYS 4 19.155 -7.931 3.178 306 HD2 LYS 4 HD3 LYS 4 20.813 -7.909 5.693 307 HD3 LYS 4 HD2 LYS 4 19.716 -9.213 5.243 308 HE2 LYS 4 HE3 LYS 4 20.992 -9.602 3.207 309 HE3 LYS 4 HE2 LYS 4 22.064 -8.264 3.609 310 HZ1 LYS 4 HZ1 LYS 4 23.021 -10.415 4.188 311 HZ2 LYS 4 HZ2 LYS 4 21.727 -10.727 5.229 312 HZ3 LYS 4 HZ3 LYS 4 22.792 -9.458 5.563 313 H GLN 5 H GLN 5 19.373 -3.721 4.996 314 HA GLN 5 HA GLN 5 16.877 -4.445 6.036 315 HB2 GLN 5 HB3 GLN 5 18.514 -1.939 6.406 316 HB3 GLN 5 HB2 GLN 5 17.057 -2.288 7.325 317 HG2 GLN 5 HG3 GLN 5 19.540 -3.989 7.280 318 HG3 GLN 5 HG2 GLN 5 19.094 -2.855 8.555 319 HE21 GLN 5 HE21 GLN 5 18.404 -5.927 7.078 320 HE22 GLN 5 HE22 GLN 5 17.379 -6.525 8.332 321 H LEU 6 H LEU 6 17.805 -1.945 3.750 322 HA LEU 6 HA LEU 6 15.229 -0.722 3.635 323 HB2 LEU 6 HB3 LEU 6 17.498 -0.660 1.634 324 HB3 LEU 6 HB2 LEU 6 16.052 0.320 1.533 325 HG LEU 6 HG LEU 6 18.117 0.473 3.733 326 HD11 LEU 6 HD11 LEU 6 17.495 2.353 1.466 327 HD12 LEU 6 HD12 LEU 6 18.933 1.345 1.617 328 HD13 LEU 6 HD13 LEU 6 18.646 2.649 2.768 329 HD21 LEU 6 HD21 LEU 6 15.623 2.095 3.235 330 HD22 LEU 6 HD22 LEU 6 16.868 2.485 4.421 331 HD23 LEU 6 HD23 LEU 6 15.922 1.008 4.592 332 H GLU 7 H GLU 7 16.846 -3.280 1.846 333 HA GLU 7 HA GLU 7 14.903 -3.653 -0.147 334 HB2 GLU 7 HB3 GLU 7 17.073 -4.627 -0.419 335 HB3 GLU 7 HB2 GLU 7 16.935 -5.511 1.093 336 HG2 GLU 7 HG3 GLU 7 15.102 -6.840 0.097 337 HG3 GLU 7 HG2 GLU 7 15.403 -6.019 -1.453 338 H ASP 8 H ASP 8 15.326 -5.128 3.056 339 HA ASP 8 HA ASP 8 13.118 -6.865 2.953 340 HB2 ASP 8 HB3 ASP 8 14.652 -5.606 5.203 341 HB3 ASP 8 HB2 ASP 8 13.195 -6.533 5.542 342 H LYS 9 H LYS 9 13.375 -3.465 3.703 343 HA LYS 9 HA LYS 9 10.718 -3.098 4.644 344 HB2 LYS 9 HB3 LYS 9 12.736 -1.247 3.397 345 HB3 LYS 9 HB2 LYS 9 11.137 -0.720 3.856 346 HG2 LYS 9 HG3 LYS 9 11.616 -1.207 6.199 347 HG3 LYS 9 HG2 LYS 9 13.191 -1.874 5.746 348 HD2 LYS 9 HD3 LYS 9 13.874 0.315 4.911 349 HD3 LYS 9 HD2 LYS 9 12.296 0.978 5.337 350 HE2 LYS 9 HE3 LYS 9 14.277 -0.214 7.275 351 HE3 LYS 9 HE2 LYS 9 14.012 1.509 7.016 352 HZ1 LYS 9 HZ1 LYS 9 11.706 1.195 7.741 353 HZ2 LYS 9 HZ2 LYS 9 12.810 0.768 8.947 354 HZ3 LYS 9 HZ3 LYS 9 12.023 -0.434 8.057 355 H VAL 10 H VAL 10 12.231 -2.732 1.494 356 HA VAL 10 HA VAL 10 10.040 -1.788 0.011 357 HB VAL 10 HB VAL 10 12.297 -3.594 -0.914 358 HG11 VAL 10 HG11 VAL 10 10.405 -3.611 -2.468 359 HG12 VAL 10 HG12 VAL 10 11.800 -2.787 -3.161 360 HG13 VAL 10 HG13 VAL 10 10.444 -1.849 -2.537 361 HG21 VAL 10 HG21 VAL 10 13.342 -1.525 -1.719 362 HG22 VAL 10 HG22 VAL 10 13.129 -1.516 0.031 363 HG23 VAL 10 HG23 VAL 10 12.033 -0.591 -0.995 364 H GLU 11 H GLU 11 10.974 -4.788 1.275 365 HA GLU 11 HA GLU 11 9.230 -6.443 -0.321 366 HB2 GLU 11 HB3 GLU 11 11.461 -7.112 0.752 367 HB3 GLU 11 HB2 GLU 11 10.573 -7.225 2.262 368 HG2 GLU 11 HG3 GLU 11 9.883 -8.788 -0.212 369 HG3 GLU 11 HG2 GLU 11 10.925 -9.385 1.073 370 H GLU 12 H GLU 12 9.316 -5.584 3.179 371 HA GLU 12 HA GLU 12 6.875 -6.931 3.709 372 HB2 GLU 12 HB3 GLU 12 6.930 -5.719 5.892 373 HB3 GLU 12 HB2 GLU 12 8.404 -6.595 5.512 374 HG2 GLU 12 HG3 GLU 12 9.447 -4.497 4.796 375 HG3 GLU 12 HG2 GLU 12 7.975 -3.629 5.230 376 H LEU 13 H LEU 13 7.583 -3.496 3.213 377 HA LEU 13 HA LEU 13 4.993 -2.514 3.528 378 HB2 LEU 13 HB3 LEU 13 7.211 -1.507 1.752 379 HB3 LEU 13 HB2 LEU 13 5.745 -0.615 2.109 380 HG LEU 13 HG LEU 13 7.823 -1.446 4.138 381 HD11 LEU 13 HD11 LEU 13 7.180 1.254 2.963 382 HD12 LEU 13 HD12 LEU 13 8.625 0.297 2.635 383 HD13 LEU 13 HD13 LEU 13 8.340 0.937 4.254 384 HD21 LEU 13 HD21 LEU 13 5.327 0.225 4.417 385 HD22 LEU 13 HD22 LEU 13 6.560 0.019 5.660 386 HD23 LEU 13 HD23 LEU 13 5.611 -1.366 5.124 387 H LEU 14 H LEU 14 6.573 -3.786 0.610 388 HA LEU 14 HA LEU 14 4.505 -3.213 -1.177 389 HB2 LEU 14 HB3 LEU 14 6.806 -3.812 -1.841 390 HB3 LEU 14 HB2 LEU 14 6.520 -5.456 -1.318 391 HG LEU 14 HG LEU 14 4.714 -5.620 -3.044 392 HD11 LEU 14 HD11 LEU 14 4.779 -3.956 -4.876 393 HD12 LEU 14 HD12 LEU 14 5.832 -2.949 -3.883 394 HD13 LEU 14 HD13 LEU 14 4.185 -3.295 -3.354 395 HD21 LEU 14 HD21 LEU 14 6.944 -6.526 -3.421 396 HD22 LEU 14 HD22 LEU 14 7.486 -4.962 -4.031 397 HD23 LEU 14 HD23 LEU 14 6.266 -5.877 -4.913 398 H SER 15 H SER 15 5.141 -6.096 0.831 399 HA SER 15 HA SER 15 3.019 -7.668 -0.063 400 HB2 SER 15 HB3 SER 15 4.716 -8.534 1.467 401 HB3 SER 15 HB2 SER 15 4.164 -7.437 2.733 402 HG SER 15 HG SER 15 3.209 -9.867 2.042 403 H LYS 16 H LYS 16 3.086 -5.235 2.524 404 HA LYS 16 HA LYS 16 0.338 -5.448 3.189 405 HB2 LYS 16 HB3 LYS 16 1.986 -4.507 4.728 406 HB3 LYS 16 HB2 LYS 16 2.299 -3.184 3.618 407 HG2 LYS 16 HG3 LYS 16 -0.015 -2.404 3.928 408 HG3 LYS 16 HG2 LYS 16 -0.277 -3.709 5.087 409 HD2 LYS 16 HD3 LYS 16 1.377 -2.814 6.570 410 HD3 LYS 16 HD2 LYS 16 1.880 -1.622 5.373 411 HE2 LYS 16 HE3 LYS 16 0.519 -0.540 7.027 412 HE3 LYS 16 HE2 LYS 16 -0.372 -0.603 5.510 413 HZ1 LYS 16 HZ1 LYS 16 -1.820 -1.156 7.311 414 HZ2 LYS 16 HZ2 LYS 16 -0.764 -2.357 7.873 415 HZ3 LYS 16 HZ3 LYS 16 -1.561 -2.558 6.397 416 H ASN 17 H ASN 17 2.157 -3.355 1.010 417 HA ASN 17 HA ASN 17 0.165 -1.597 0.203 418 HB2 ASN 17 HB3 ASN 17 2.556 -1.404 -0.400 419 HB3 ASN 17 HB2 ASN 17 2.392 -2.792 -1.463 420 HD21 ASN 17 HD21 ASN 17 1.803 0.610 -1.096 421 HD22 ASN 17 HD22 ASN 17 1.244 0.875 -2.703 422 H TYR 18 H TYR 18 1.107 -4.675 -1.332 423 HA TYR 18 HA TYR 18 -0.940 -4.649 -3.270 424 HB2 TYR 18 HB3 TYR 18 0.741 -6.868 -2.127 425 HB3 TYR 18 HB2 TYR 18 -0.536 -7.204 -3.287 426 HD1 TYR 18 HD1 TYR 18 -0.213 -4.812 -5.080 427 HD2 TYR 18 HD2 TYR 18 2.674 -7.430 -3.352 428 HE1 TYR 18 HE1 TYR 18 1.327 -4.331 -6.925 429 HE2 TYR 18 HE2 TYR 18 4.220 -6.942 -5.196 430 HH TYR 18 HH TYR 18 3.697 -4.377 -7.400 431 H HIS 19 H HIS 19 -0.791 -5.861 0.005 432 HA HIS 19 HA HIS 19 -3.172 -7.341 0.044 433 HB2 HIS 19 HB3 HIS 19 -1.286 -7.180 1.809 434 HB3 HIS 19 HB2 HIS 19 -2.160 -5.775 2.406 435 HD1 HIS 19 HD1 HIS 19 -4.946 -6.491 2.748 436 HD2 HIS 19 HD2 HIS 19 -1.962 -9.366 3.186 437 HE1 HIS 19 HE1 HIS 19 -5.946 -8.311 4.159 438 HE2 HIS 19 HE2 HIS 19 -4.085 -9.962 4.531 439 H LEU 20 H LEU 20 -2.544 -3.953 0.962 440 HA LEU 20 HA LEU 20 -5.174 -3.341 1.722 441 HB2 LEU 20 HB3 LEU 20 -3.058 -1.478 0.646 442 HB3 LEU 20 HB2 LEU 20 -4.528 -0.986 1.461 443 HG LEU 20 HG LEU 20 -2.330 -2.618 2.731 444 HD11 LEU 20 HD11 LEU 20 -3.056 0.284 3.040 445 HD12 LEU 20 HD12 LEU 20 -1.591 -0.356 2.292 446 HD13 LEU 20 HD13 LEU 20 -1.875 -0.586 4.018 447 HD21 LEU 20 HD21 LEU 20 -4.482 -3.124 3.697 448 HD22 LEU 20 HD22 LEU 20 -4.843 -1.407 3.867 449 HD23 LEU 20 HD23 LEU 20 -3.547 -2.134 4.816 450 H GLU 21 H GLU 21 -3.565 -3.169 -1.413 451 HA GLU 21 HA GLU 21 -5.613 -1.714 -2.702 452 HB2 GLU 21 HB3 GLU 21 -3.129 -2.371 -3.459 453 HB3 GLU 21 HB2 GLU 21 -3.997 -3.657 -4.284 454 HG2 GLU 21 HG3 GLU 21 -5.417 -1.919 -5.366 455 HG3 GLU 21 HG2 GLU 21 -4.380 -0.691 -4.643 456 H ASN 22 H ASN 22 -5.292 -5.033 -1.824 457 HA ASN 22 HA ASN 22 -7.247 -6.109 -3.589 458 HB2 ASN 22 HB3 ASN 22 -6.302 -7.084 -0.881 459 HB3 ASN 22 HB2 ASN 22 -7.351 -7.998 -1.959 460 HD21 ASN 22 HD21 ASN 22 -4.698 -8.636 -0.923 461 HD22 ASN 22 HD22 ASN 22 -3.697 -8.889 -2.309 462 H GLU 23 H GLU 23 -7.385 -5.108 -0.167 463 HA GLU 23 HA GLU 23 -10.131 -5.489 0.181 464 HB2 GLU 23 HB3 GLU 23 -8.193 -3.640 1.556 465 HB3 GLU 23 HB2 GLU 23 -9.899 -3.668 1.983 466 HG2 GLU 23 HG3 GLU 23 -8.827 -5.043 3.540 467 HG3 GLU 23 HG2 GLU 23 -9.626 -6.134 2.413 468 H VAL 24 H VAL 24 -8.333 -2.657 -0.965 469 HA VAL 24 HA VAL 24 -10.385 -0.807 -1.103 470 HB VAL 24 HB VAL 24 -8.143 -1.168 -3.103 471 HG11 VAL 24 HG11 VAL 24 -8.506 1.193 -3.651 472 HG12 VAL 24 HG12 VAL 24 -9.902 1.225 -2.574 473 HG13 VAL 24 HG13 VAL 24 -9.926 0.214 -4.018 474 HG21 VAL 24 HG21 VAL 24 -8.340 0.591 -0.661 475 HG22 VAL 24 HG22 VAL 24 -7.003 0.571 -1.812 476 HG23 VAL 24 HG23 VAL 24 -7.336 -0.850 -0.823 477 H ALA 25 H ALA 25 -9.341 -3.080 -3.640 478 HA ALA 25 HA ALA 25 -11.319 -2.457 -5.521 479 HB1 ALA 25 HB1 ALA 25 -10.707 -4.544 -6.611 480 HB2 ALA 25 HB2 ALA 25 -9.859 -5.068 -5.156 481 HB3 ALA 25 HB3 ALA 25 -9.272 -3.674 -6.065 482 H ARG 26 H ARG 26 -11.275 -5.007 -3.029 483 HA ARG 26 HA ARG 26 -13.686 -6.248 -3.753 484 HB2 ARG 26 HB3 ARG 26 -12.476 -6.001 -0.992 485 HB3 ARG 26 HB2 ARG 26 -13.718 -7.150 -1.465 486 HG2 ARG 26 HG3 ARG 26 -10.898 -7.050 -2.499 487 HG3 ARG 26 HG2 ARG 26 -11.543 -8.208 -1.336 488 HD2 ARG 26 HD2 ARG 26 -11.684 -9.435 -3.267 489 HD3 ARG 26 HD1 ARG 26 -13.275 -8.679 -3.249 490 HE ARG 26 HE ARG 26 -11.104 -7.407 -4.755 491 HH11 ARG 26 HH11 ARG 26 -14.170 -9.094 -4.730 492 HH12 ARG 26 HH12 ARG 26 -14.503 -8.771 -6.401 493 HH21 ARG 26 HH21 ARG 26 -11.539 -6.985 -6.961 494 HH22 ARG 26 HH22 ARG 26 -13.012 -7.575 -7.666 495 H LEU 27 H LEU 27 -13.026 -3.803 -1.277 496 HA LEU 27 HA LEU 27 -15.682 -3.426 -0.453 497 HB2 LEU 27 HB3 LEU 27 -13.353 -1.505 -0.387 498 HB3 LEU 27 HB2 LEU 27 -14.864 -1.268 0.472 499 HG LEU 27 HG LEU 27 -12.999 -3.585 0.930 500 HD11 LEU 27 HD11 LEU 27 -11.940 -1.501 1.570 501 HD12 LEU 27 HD12 LEU 27 -12.377 -2.443 2.994 502 HD13 LEU 27 HD13 LEU 27 -13.357 -1.056 2.518 503 HD21 LEU 27 HD21 LEU 27 -15.401 -2.606 2.464 504 HD22 LEU 27 HD22 LEU 27 -14.333 -3.917 2.960 505 HD23 LEU 27 HD23 LEU 27 -15.308 -4.080 1.501 506 H LYS 28 H LYS 28 -13.967 -2.191 -3.209 507 HA LYS 28 HA LYS 28 -15.609 0.048 -3.747 508 HB2 LYS 28 HB3 LYS 28 -13.275 -0.948 -4.793 509 HB3 LYS 28 HB2 LYS 28 -14.425 -1.312 -6.069 510 HG2 LYS 28 HG3 LYS 28 -13.490 0.789 -6.590 511 HG3 LYS 28 HG2 LYS 28 -15.116 1.111 -5.981 512 HD2 LYS 28 HD3 LYS 28 -14.180 1.633 -3.774 513 HD3 LYS 28 HD2 LYS 28 -12.547 1.326 -4.404 514 HE2 LYS 28 HE3 LYS 28 -14.457 3.476 -5.332 515 HE3 LYS 28 HE2 LYS 28 -13.024 3.712 -4.331 516 HZ1 LYS 28 HZ1 LYS 28 -13.009 2.677 -7.113 517 HZ2 LYS 28 HZ2 LYS 28 -11.648 2.968 -6.153 518 HZ3 LYS 28 HZ3 LYS 28 -12.619 4.256 -6.658 519 H LYS 29 H LYS 29 -15.509 -3.240 -5.127 520 HA LYS 29 HA LYS 29 -17.819 -3.043 -6.681 521 HB2 LYS 29 HB3 LYS 29 -16.294 -4.878 -6.991 522 HB3 LYS 29 HB2 LYS 29 -16.517 -5.416 -5.334 523 HG2 LYS 29 HG3 LYS 29 -18.893 -5.923 -5.892 524 HG3 LYS 29 HG2 LYS 29 -18.524 -5.550 -7.577 525 HD2 LYS 29 HD3 LYS 29 -16.877 -7.318 -7.643 526 HD3 LYS 29 HD2 LYS 29 -17.129 -7.654 -5.928 527 HE2 LYS 29 HE3 LYS 29 -18.319 -9.272 -7.299 528 HE3 LYS 29 HE2 LYS 29 -19.452 -8.270 -6.398 529 HZ1 LYS 29 HZ1 LYS 29 -18.714 -7.867 -9.246 530 HZ2 LYS 29 HZ2 LYS 29 -19.853 -6.970 -8.376 531 HZ3 LYS 29 HZ3 LYS 29 -20.134 -8.605 -8.704 532 H LEU 30 H LEU 30 -17.399 -3.791 -3.271 533 HA LEU 30 HA LEU 30 -20.037 -4.730 -2.818 534 HB2 LEU 30 HB3 LEU 30 -18.047 -3.556 -0.879 535 HB3 LEU 30 HB2 LEU 30 -19.519 -4.394 -0.429 536 HG LEU 30 HG LEU 30 -17.175 -5.615 -1.891 537 HD11 LEU 30 HD11 LEU 30 -16.670 -5.147 0.432 538 HD12 LEU 30 HD12 LEU 30 -16.858 -6.881 0.180 539 HD13 LEU 30 HD13 LEU 30 -18.152 -5.955 0.938 540 HD21 LEU 30 HD21 LEU 30 -19.269 -6.646 -2.576 541 HD22 LEU 30 HD22 LEU 30 -19.732 -6.865 -0.890 542 HD23 LEU 30 HD23 LEU 30 -18.351 -7.743 -1.544 543 H VAL 31 H VAL 31 -18.523 -1.583 -1.994 544 HA VAL 31 HA VAL 31 -20.967 -0.383 -1.239 545 HB VAL 31 HB VAL 31 -18.668 0.382 -0.572 546 HG11 VAL 31 HG11 VAL 31 -17.577 0.368 -2.724 547 HG12 VAL 31 HG12 VAL 31 -17.533 1.994 -2.043 548 HG13 VAL 31 HG13 VAL 31 -18.680 1.605 -3.324 549 HG21 VAL 31 HG21 VAL 31 -20.571 2.426 -1.691 550 HG22 VAL 31 HG22 VAL 31 -19.265 2.773 -0.558 551 HG23 VAL 31 HG23 VAL 31 -20.597 1.723 -0.074 552 H GLY 32 H GLY 32 -19.669 -1.055 -4.347 553 HA2 GLY 32 HA3 GLY 32 -20.958 1.109 -5.730 554 HA3 GLY 32 HA2 GLY 32 -20.177 -0.284 -6.463 555 H GLU 33 H GLU 33 -23.001 0.390 -4.424 556 HA GLU 33 HA GLU 33 -24.526 -1.627 -5.888 557 HB2 GLU 33 HB3 GLU 33 -24.516 -1.530 -3.355 558 HB3 GLU 33 HB2 GLU 33 -25.391 -0.012 -3.482 559 HG2 GLU 33 HG3 GLU 33 -26.975 -1.724 -3.055 560 HG3 GLU 33 HG2 GLU 33 -27.171 -1.227 -4.736 Start of MODEL 10 1 H1 GLY 1 H1 GLY 1 20.910 -6.128 -4.198 2 H2 GLY 1 H2 GLY 1 22.299 -5.183 -4.015 3 H3 GLY 1 H3 GLY 1 21.495 -5.218 -5.499 4 HA2 GLY 1 HA2 GLY 1 19.558 -4.170 -4.497 5 HA3 GLY 1 HA3 GLY 1 20.420 -4.115 -2.965 6 H SER 2 H SER 2 19.451 -1.804 -4.000 7 HA SER 2 HA SER 2 21.887 -0.311 -4.520 8 HB2 SER 2 HB3 SER 2 21.112 -0.876 -6.781 9 HB3 SER 2 HB2 SER 2 19.511 -0.245 -6.403 10 HG SER 2 HG SER 2 21.950 1.181 -6.654 11 H MET 3 H MET 3 21.841 1.577 -3.450 12 HA MET 3 HA MET 3 19.661 2.254 -1.778 13 HB2 MET 3 HB3 MET 3 22.117 3.817 -2.568 14 HB3 MET 3 HB2 MET 3 20.946 4.387 -1.389 15 HG2 MET 3 HG3 MET 3 22.624 1.905 -1.185 16 HG3 MET 3 HG2 MET 3 22.846 3.401 -0.285 17 HE1 MET 3 HE1 MET 3 21.621 0.797 2.401 18 HE2 MET 3 HE2 MET 3 22.867 1.981 2.006 19 HE3 MET 3 HE3 MET 3 22.683 0.531 1.020 20 H LYS 4 H LYS 4 20.637 3.253 -4.963 21 HA LYS 4 HA LYS 4 18.988 5.509 -5.252 22 HB2 LYS 4 HB3 LYS 4 20.757 4.962 -6.842 23 HB3 LYS 4 HB2 LYS 4 19.910 3.495 -7.310 24 HG2 LYS 4 HG3 LYS 4 18.085 4.823 -8.222 25 HG3 LYS 4 HG2 LYS 4 18.903 6.302 -7.722 26 HD2 LYS 4 HD3 LYS 4 20.021 4.283 -9.666 27 HD3 LYS 4 HD2 LYS 4 19.209 5.780 -10.125 28 HE2 LYS 4 HE3 LYS 4 21.748 5.553 -8.510 29 HE3 LYS 4 HE2 LYS 4 21.635 6.032 -10.201 30 HZ1 LYS 4 HZ1 LYS 4 21.848 7.957 -8.784 31 HZ2 LYS 4 HZ2 LYS 4 20.489 7.504 -7.893 32 HZ3 LYS 4 HZ3 LYS 4 20.322 7.955 -9.510 33 H GLN 5 H GLN 5 18.444 2.112 -6.116 34 HA GLN 5 HA GLN 5 15.757 2.416 -6.915 35 HB2 GLN 5 HB3 GLN 5 17.134 0.467 -7.521 36 HB3 GLN 5 HB2 GLN 5 17.189 -0.022 -5.834 37 HG2 GLN 5 HG3 GLN 5 14.790 -0.392 -5.841 38 HG3 GLN 5 HG2 GLN 5 14.701 0.152 -7.516 39 HE21 GLN 5 HE21 GLN 5 13.976 -2.411 -6.317 40 HE22 GLN 5 HE22 GLN 5 14.893 -3.607 -7.162 41 H LEU 6 H LEU 6 17.164 1.161 -3.916 42 HA LEU 6 HA LEU 6 14.945 0.787 -2.372 43 HB2 LEU 6 HB3 LEU 6 16.871 0.112 -1.353 44 HB3 LEU 6 HB2 LEU 6 17.758 1.553 -1.732 45 HG LEU 6 HG LEU 6 17.307 1.018 0.709 46 HD11 LEU 6 HD11 LEU 6 18.230 3.107 0.018 47 HD12 LEU 6 HD12 LEU 6 17.071 3.353 1.323 48 HD13 LEU 6 HD13 LEU 6 16.622 3.740 -0.338 49 HD21 LEU 6 HD21 LEU 6 15.156 2.112 1.540 50 HD22 LEU 6 HD22 LEU 6 15.047 0.490 0.870 51 HD23 LEU 6 HD23 LEU 6 14.558 1.878 -0.102 52 H GLU 7 H GLU 7 16.631 3.924 -2.714 53 HA GLU 7 HA GLU 7 15.058 5.405 -1.004 54 HB2 GLU 7 HB3 GLU 7 17.118 6.206 -2.118 55 HB3 GLU 7 HB2 GLU 7 16.237 6.314 -3.634 56 HG2 GLU 7 HG3 GLU 7 14.697 7.947 -2.537 57 HG3 GLU 7 HG2 GLU 7 15.798 7.925 -1.138 58 H ASP 8 H ASP 8 14.559 4.895 -4.491 59 HA ASP 8 HA ASP 8 12.202 6.463 -4.592 60 HB2 ASP 8 HB3 ASP 8 13.462 4.506 -6.489 61 HB3 ASP 8 HB2 ASP 8 11.892 5.222 -6.832 62 H LYS 9 H LYS 9 12.709 2.952 -4.539 63 HA LYS 9 HA LYS 9 9.938 2.305 -4.785 64 HB2 LYS 9 HB3 LYS 9 11.822 0.452 -3.357 65 HB3 LYS 9 HB2 LYS 9 10.440 0.066 -4.362 66 HG2 LYS 9 HG3 LYS 9 13.100 1.083 -5.327 67 HG3 LYS 9 HG2 LYS 9 12.437 -0.536 -5.536 68 HD2 LYS 9 HD3 LYS 9 11.422 2.027 -6.774 69 HD3 LYS 9 HD2 LYS 9 12.191 0.673 -7.595 70 HE2 LYS 9 HE3 LYS 9 10.326 -0.754 -7.155 71 HE3 LYS 9 HE2 LYS 9 9.585 0.448 -6.100 72 HZ1 LYS 9 HZ1 LYS 9 10.030 0.760 -9.014 73 HZ2 LYS 9 HZ2 LYS 9 9.296 1.900 -7.997 74 HZ3 LYS 9 HZ3 LYS 9 8.550 0.403 -8.279 75 H VAL 10 H VAL 10 12.013 2.599 -1.930 76 HA VAL 10 HA VAL 10 10.146 1.595 -0.060 77 HB VAL 10 HB VAL 10 12.647 2.042 0.297 78 HG11 VAL 10 HG11 VAL 10 11.608 4.786 0.956 79 HG12 VAL 10 HG12 VAL 10 12.742 4.366 -0.326 80 HG13 VAL 10 HG13 VAL 10 13.212 4.178 1.363 81 HG21 VAL 10 HG21 VAL 10 11.161 1.208 2.035 82 HG22 VAL 10 HG22 VAL 10 10.711 2.862 2.454 83 HG23 VAL 10 HG23 VAL 10 12.370 2.309 2.696 84 H GLU 11 H GLU 11 10.664 4.632 -1.614 85 HA GLU 11 HA GLU 11 8.765 6.133 -0.064 86 HB2 GLU 11 HB3 GLU 11 10.228 6.648 -2.629 87 HB3 GLU 11 HB2 GLU 11 8.944 7.724 -2.099 88 HG2 GLU 11 HG3 GLU 11 11.411 7.048 -0.515 89 HG3 GLU 11 HG2 GLU 11 11.167 8.519 -1.456 90 H GLU 12 H GLU 12 8.648 4.738 -3.378 91 HA GLU 12 HA GLU 12 6.072 5.593 -4.027 92 HB2 GLU 12 HB3 GLU 12 7.480 3.052 -4.863 93 HB3 GLU 12 HB2 GLU 12 6.026 3.683 -5.617 94 HG2 GLU 12 HG3 GLU 12 7.264 5.700 -6.267 95 HG3 GLU 12 HG2 GLU 12 8.724 5.008 -5.560 96 H LEU 13 H LEU 13 7.003 2.372 -2.947 97 HA LEU 13 HA LEU 13 4.586 1.204 -2.536 98 HB2 LEU 13 HB3 LEU 13 7.021 0.919 -0.784 99 HB3 LEU 13 HB2 LEU 13 5.676 -0.203 -0.837 100 HG LEU 13 HG LEU 13 7.542 0.392 -3.134 101 HD11 LEU 13 HD11 LEU 13 7.338 -1.987 -1.297 102 HD12 LEU 13 HD12 LEU 13 8.670 -0.834 -1.386 103 HD13 LEU 13 HD13 LEU 13 8.337 -1.905 -2.747 104 HD21 LEU 13 HD21 LEU 13 5.293 -1.598 -2.860 105 HD22 LEU 13 HD22 LEU 13 6.438 -1.532 -4.199 106 HD23 LEU 13 HD23 LEU 13 5.327 -0.191 -3.922 107 H LEU 14 H LEU 14 6.322 3.213 -0.142 108 HA LEU 14 HA LEU 14 4.336 2.878 1.851 109 HB2 LEU 14 HB3 LEU 14 6.601 3.452 2.472 110 HB3 LEU 14 HB2 LEU 14 6.512 4.956 1.582 111 HG LEU 14 HG LEU 14 4.794 5.774 3.160 112 HD11 LEU 14 HD11 LEU 14 3.823 3.675 3.863 113 HD12 LEU 14 HD12 LEU 14 4.441 4.546 5.265 114 HD13 LEU 14 HD13 LEU 14 5.347 3.187 4.604 115 HD21 LEU 14 HD21 LEU 14 7.338 4.815 4.463 116 HD22 LEU 14 HD22 LEU 14 6.297 6.112 5.049 117 HD23 LEU 14 HD23 LEU 14 7.152 6.291 3.518 118 H SER 15 H SER 15 4.981 5.501 -0.490 119 HA SER 15 HA SER 15 2.957 7.234 0.342 120 HB2 SER 15 HB3 SER 15 3.935 6.782 -2.488 121 HB3 SER 15 HB2 SER 15 3.118 8.224 -1.883 122 HG SER 15 HG SER 15 5.727 7.296 -1.387 123 H LYS 16 H LYS 16 2.838 4.596 -2.050 124 HA LYS 16 HA LYS 16 0.072 4.966 -2.618 125 HB2 LYS 16 HB3 LYS 16 1.641 3.850 -4.182 126 HB3 LYS 16 HB2 LYS 16 1.795 2.514 -3.052 127 HG2 LYS 16 HG3 LYS 16 -0.584 2.005 -3.329 128 HG3 LYS 16 HG2 LYS 16 -0.733 3.351 -4.461 129 HD2 LYS 16 HD3 LYS 16 0.812 2.276 -5.992 130 HD3 LYS 16 HD2 LYS 16 1.092 0.972 -4.839 131 HE2 LYS 16 HE3 LYS 16 -1.287 0.336 -5.025 132 HE3 LYS 16 HE2 LYS 16 -1.519 1.600 -6.229 133 HZ1 LYS 16 HZ1 LYS 16 0.258 -0.762 -6.491 134 HZ2 LYS 16 HZ2 LYS 16 0.129 0.484 -7.625 135 HZ3 LYS 16 HZ3 LYS 16 -1.204 -0.503 -7.305 136 H ASN 17 H ASN 17 1.880 2.863 -0.424 137 HA ASN 17 HA ASN 17 -0.161 1.235 0.521 138 HB2 ASN 17 HB3 ASN 17 2.275 1.044 1.096 139 HB3 ASN 17 HB2 ASN 17 2.085 2.424 2.166 140 HD21 ASN 17 HD21 ASN 17 1.473 -0.980 1.752 141 HD22 ASN 17 HD22 ASN 17 0.900 -1.257 3.353 142 H TYR 18 H TYR 18 0.909 4.382 1.807 143 HA TYR 18 HA TYR 18 -0.938 4.702 3.817 144 HB2 TYR 18 HB3 TYR 18 1.098 6.105 3.211 145 HB3 TYR 18 HB2 TYR 18 0.065 6.917 2.039 146 HD1 TYR 18 HD1 TYR 18 0.220 6.027 5.632 147 HD2 TYR 18 HD2 TYR 18 -1.150 8.774 2.699 148 HE1 TYR 18 HE1 TYR 18 -0.568 7.506 7.402 149 HE2 TYR 18 HE2 TYR 18 -1.946 10.271 4.465 150 HH TYR 18 HH TYR 18 -1.083 9.894 7.733 151 H HIS 19 H HIS 19 -1.191 5.579 0.391 152 HA HIS 19 HA HIS 19 -3.713 6.838 0.576 153 HB2 HIS 19 HB3 HIS 19 -2.317 5.550 -1.774 154 HB3 HIS 19 HB2 HIS 19 -3.816 6.460 -1.908 155 HD1 HIS 19 HD1 HIS 19 -1.275 7.359 -3.393 156 HD2 HIS 19 HD2 HIS 19 -2.427 8.764 0.348 157 HE1 HIS 19 HE1 HIS 19 -0.146 9.592 -3.128 158 HE2 HIS 19 HE2 HIS 19 -1.007 10.499 -0.938 159 H LEU 20 H LEU 20 -2.769 3.528 -0.268 160 HA LEU 20 HA LEU 20 -5.359 2.591 -0.850 161 HB2 LEU 20 HB3 LEU 20 -2.976 1.049 0.168 162 HB3 LEU 20 HB2 LEU 20 -4.422 0.341 -0.516 163 HG LEU 20 HG LEU 20 -2.512 2.133 -2.014 164 HD11 LEU 20 HD11 LEU 20 -2.904 -0.849 -2.108 165 HD12 LEU 20 HD12 LEU 20 -1.497 -0.001 -1.468 166 HD13 LEU 20 HD13 LEU 20 -1.873 0.088 -3.187 167 HD21 LEU 20 HD21 LEU 20 -4.783 2.303 -2.858 168 HD22 LEU 20 HD22 LEU 20 -4.903 0.546 -2.940 169 HD23 LEU 20 HD23 LEU 20 -3.773 1.402 -3.988 170 H GLU 21 H GLU 21 -3.462 2.497 2.150 171 HA GLU 21 HA GLU 21 -5.243 1.004 3.698 172 HB2 GLU 21 HB3 GLU 21 -2.801 2.039 4.125 173 HB3 GLU 21 HB2 GLU 21 -3.745 3.242 4.981 174 HG2 GLU 21 HG3 GLU 21 -3.752 0.279 5.561 175 HG3 GLU 21 HG2 GLU 21 -2.865 1.506 6.457 176 H ASN 22 H ASN 22 -5.042 4.492 3.154 177 HA ASN 22 HA ASN 22 -7.188 5.186 4.864 178 HB2 ASN 22 HB3 ASN 22 -5.824 6.616 2.598 179 HB3 ASN 22 HB2 ASN 22 -7.198 7.321 3.441 180 HD21 ASN 22 HD21 ASN 22 -5.929 9.022 4.181 181 HD22 ASN 22 HD22 ASN 22 -4.791 8.824 5.469 182 H GLU 23 H GLU 23 -7.023 4.270 1.477 183 HA GLU 23 HA GLU 23 -9.746 4.839 0.895 184 HB2 GLU 23 HB3 GLU 23 -7.587 3.261 -0.423 185 HB3 GLU 23 HB2 GLU 23 -9.248 2.981 -0.924 186 HG2 GLU 23 HG3 GLU 23 -7.865 5.652 -0.921 187 HG3 GLU 23 HG2 GLU 23 -8.104 4.623 -2.335 188 H VAL 24 H VAL 24 -8.025 1.899 1.870 189 HA VAL 24 HA VAL 24 -10.116 0.091 1.856 190 HB VAL 24 HB VAL 24 -7.856 0.262 3.866 191 HG11 VAL 24 HG11 VAL 24 -9.694 -2.039 3.212 192 HG12 VAL 24 HG12 VAL 24 -9.657 -1.130 4.722 193 HG13 VAL 24 HG13 VAL 24 -8.277 -2.126 4.258 194 HG21 VAL 24 HG21 VAL 24 -6.789 -1.437 2.460 195 HG22 VAL 24 HG22 VAL 24 -7.071 0.060 1.572 196 HG23 VAL 24 HG23 VAL 24 -8.129 -1.328 1.318 197 H ALA 25 H ALA 25 -8.989 2.069 4.596 198 HA ALA 25 HA ALA 25 -10.940 1.335 6.439 199 HB1 ALA 25 HB1 ALA 25 -8.882 2.512 7.024 200 HB2 ALA 25 HB2 ALA 25 -10.304 3.326 7.676 201 HB3 ALA 25 HB3 ALA 25 -9.496 3.970 6.247 202 H ARG 26 H ARG 26 -10.997 3.989 4.078 203 HA ARG 26 HA ARG 26 -13.380 5.183 4.976 204 HB2 ARG 26 HB3 ARG 26 -11.850 6.328 3.438 205 HB3 ARG 26 HB2 ARG 26 -12.196 5.138 2.189 206 HG2 ARG 26 HG3 ARG 26 -14.494 5.873 2.072 207 HG3 ARG 26 HG2 ARG 26 -14.228 7.001 3.398 208 HD2 ARG 26 HD2 ARG 26 -14.180 8.214 1.330 209 HD3 ARG 26 HD1 ARG 26 -12.554 8.176 2.005 210 HE ARG 26 HE ARG 26 -11.928 6.601 0.316 211 HH11 ARG 26 HH11 ARG 26 -15.150 7.926 -0.098 212 HH12 ARG 26 HH12 ARG 26 -15.194 7.607 -1.801 213 HH21 ARG 26 HH21 ARG 26 -11.974 6.209 -1.928 214 HH22 ARG 26 HH22 ARG 26 -13.391 6.645 -2.845 215 H LEU 27 H LEU 27 -12.792 2.856 2.358 216 HA LEU 27 HA LEU 27 -15.492 2.575 1.625 217 HB2 LEU 27 HB3 LEU 27 -13.228 0.614 1.272 218 HB3 LEU 27 HB2 LEU 27 -14.754 0.582 0.406 219 HG LEU 27 HG LEU 27 -12.742 2.816 0.238 220 HD11 LEU 27 HD11 LEU 27 -13.326 0.600 -1.712 221 HD12 LEU 27 HD12 LEU 27 -11.881 0.743 -0.713 222 HD13 LEU 27 HD13 LEU 27 -12.212 1.944 -1.958 223 HD21 LEU 27 HD21 LEU 27 -15.232 2.242 -1.361 224 HD22 LEU 27 HD22 LEU 27 -14.080 3.540 -1.678 225 HD23 LEU 27 HD23 LEU 27 -15.026 3.544 -0.190 226 H LYS 28 H LYS 28 -13.653 1.112 4.203 227 HA LYS 28 HA LYS 28 -15.307 -1.101 4.726 228 HB2 LYS 28 HB3 LYS 28 -13.605 0.586 6.573 229 HB3 LYS 28 HB2 LYS 28 -14.442 -0.864 7.097 230 HG2 LYS 28 HG3 LYS 28 -12.411 -0.833 4.883 231 HG3 LYS 28 HG2 LYS 28 -12.012 -1.140 6.573 232 HD2 LYS 28 HD3 LYS 28 -13.628 -3.035 6.552 233 HD3 LYS 28 HD2 LYS 28 -13.844 -2.766 4.805 234 HE2 LYS 28 HE3 LYS 28 -11.461 -3.185 4.451 235 HE3 LYS 28 HE2 LYS 28 -11.232 -3.415 6.180 236 HZ1 LYS 28 HZ1 LYS 28 -13.078 -5.082 4.580 237 HZ2 LYS 28 HZ2 LYS 28 -12.498 -5.382 6.139 238 HZ3 LYS 28 HZ3 LYS 28 -11.452 -5.489 4.809 239 H LYS 29 H LYS 29 -15.279 2.202 6.047 240 HA LYS 29 HA LYS 29 -17.560 1.993 7.652 241 HB2 LYS 29 HB3 LYS 29 -16.590 4.455 6.186 242 HB3 LYS 29 HB2 LYS 29 -17.575 4.420 7.639 243 HG2 LYS 29 HG3 LYS 29 -15.759 3.613 8.952 244 HG3 LYS 29 HG2 LYS 29 -14.781 3.315 7.515 245 HD2 LYS 29 HD3 LYS 29 -14.758 5.732 7.061 246 HD3 LYS 29 HD2 LYS 29 -15.695 6.004 8.531 247 HE2 LYS 29 HE3 LYS 29 -13.893 5.043 9.865 248 HE3 LYS 29 HE2 LYS 29 -12.964 4.734 8.400 249 HZ1 LYS 29 HZ1 LYS 29 -13.785 7.415 9.377 250 HZ2 LYS 29 HZ2 LYS 29 -12.863 7.103 7.998 251 HZ3 LYS 29 HZ3 LYS 29 -12.240 6.748 9.526 252 H LEU 30 H LEU 30 -17.244 2.484 4.205 253 HA LEU 30 HA LEU 30 -19.957 3.354 3.842 254 HB2 LEU 30 HB3 LEU 30 -17.675 2.726 2.042 255 HB3 LEU 30 HB2 LEU 30 -19.288 2.684 1.362 256 HG LEU 30 HG LEU 30 -18.248 4.837 0.951 257 HD11 LEU 30 HD11 LEU 30 -20.437 5.057 3.006 258 HD12 LEU 30 HD12 LEU 30 -20.665 4.757 1.284 259 HD13 LEU 30 HD13 LEU 30 -19.981 6.288 1.831 260 HD21 LEU 30 HD21 LEU 30 -18.067 5.096 3.949 261 HD22 LEU 30 HD22 LEU 30 -17.710 6.367 2.779 262 HD23 LEU 30 HD23 LEU 30 -16.713 4.914 2.835 263 H VAL 31 H VAL 31 -18.216 0.319 3.082 264 HA VAL 31 HA VAL 31 -20.498 -1.131 2.304 265 HB VAL 31 HB VAL 31 -17.967 -2.203 3.571 266 HG11 VAL 31 HG11 VAL 31 -18.505 -4.289 2.416 267 HG12 VAL 31 HG12 VAL 31 -20.014 -3.583 1.837 268 HG13 VAL 31 HG13 VAL 31 -19.768 -3.846 3.563 269 HG21 VAL 31 HG21 VAL 31 -18.651 -1.707 0.679 270 HG22 VAL 31 HG22 VAL 31 -17.229 -2.582 1.245 271 HG23 VAL 31 HG23 VAL 31 -17.427 -0.873 1.634 272 H GLY 32 H GLY 32 -19.122 -0.466 5.478 273 HA2 GLY 32 HA3 GLY 32 -20.607 -0.392 7.370 274 HA3 GLY 32 HA2 GLY 32 -21.511 -1.719 6.652 275 H GLU 33 H GLU 33 -21.363 -3.114 8.336 276 HA GLU 33 HA GLU 33 -20.523 -4.725 9.674 277 HB2 GLU 33 HB3 GLU 33 -18.051 -4.475 7.932 278 HB3 GLU 33 HB2 GLU 33 -18.340 -5.784 9.067 279 HG2 GLU 33 HG3 GLU 33 -19.881 -5.154 6.560 280 HG3 GLU 33 HG2 GLU 33 -18.847 -6.548 6.863 281 H1 GLY 1 H1 GLY 1 20.891 5.914 4.563 282 H2 GLY 1 H2 GLY 1 22.289 4.986 4.367 283 H3 GLY 1 H3 GLY 1 21.499 5.012 5.856 284 HA2 GLY 1 HA2 GLY 1 19.567 3.939 4.881 285 HA3 GLY 1 HA3 GLY 1 20.407 3.897 3.337 286 H SER 2 H SER 2 19.480 1.575 4.380 287 HA SER 2 HA SER 2 21.942 0.111 4.867 288 HB2 SER 2 HB3 SER 2 21.197 0.661 7.138 289 HB3 SER 2 HB2 SER 2 19.594 0.021 6.784 290 HG SER 2 HG SER 2 22.045 -1.393 6.993 291 H MET 3 H MET 3 21.906 -1.766 3.785 292 HA MET 3 HA MET 3 19.716 -2.472 2.145 293 HB2 MET 3 HB3 MET 3 22.205 -4.002 2.899 294 HB3 MET 3 HB2 MET 3 21.026 -4.585 1.733 295 HG2 MET 3 HG3 MET 3 22.667 -2.079 1.517 296 HG3 MET 3 HG2 MET 3 22.892 -3.569 0.605 297 HE1 MET 3 HE1 MET 3 21.594 -0.979 -2.054 298 HE2 MET 3 HE2 MET 3 22.857 -2.152 -1.676 299 HE3 MET 3 HE3 MET 3 22.677 -0.704 -0.690 300 H LYS 4 H LYS 4 20.738 -3.456 5.317 301 HA LYS 4 HA LYS 4 19.131 -5.746 5.613 302 HB2 LYS 4 HB3 LYS 4 20.920 -5.190 7.180 303 HB3 LYS 4 HB2 LYS 4 20.066 -3.734 7.670 304 HG2 LYS 4 HG3 LYS 4 18.269 -5.087 8.602 305 HG3 LYS 4 HG2 LYS 4 19.100 -6.555 8.088 306 HD2 LYS 4 HD3 LYS 4 20.219 -4.520 10.014 307 HD3 LYS 4 HD2 LYS 4 19.438 -6.029 10.484 308 HE2 LYS 4 HE3 LYS 4 21.945 -5.766 8.827 309 HE3 LYS 4 HE2 LYS 4 21.867 -6.244 10.521 310 HZ1 LYS 4 HZ1 LYS 4 22.082 -8.166 9.095 311 HZ2 LYS 4 HZ2 LYS 4 20.692 -7.735 8.240 312 HZ3 LYS 4 HZ3 LYS 4 20.575 -8.187 9.863 313 H GLN 5 H GLN 5 18.557 -2.362 6.501 314 HA GLN 5 HA GLN 5 15.885 -2.700 7.334 315 HB2 GLN 5 HB3 GLN 5 17.242 -0.736 7.926 316 HB3 GLN 5 HB2 GLN 5 17.270 -0.240 6.241 317 HG2 GLN 5 HG3 GLN 5 14.864 0.094 6.283 318 HG3 GLN 5 HG2 GLN 5 14.808 -0.447 7.961 319 HE21 GLN 5 HE21 GLN 5 14.028 2.107 6.774 320 HE22 GLN 5 HE22 GLN 5 14.950 3.317 7.597 321 H LEU 6 H LEU 6 17.233 -1.419 4.321 322 HA LEU 6 HA LEU 6 14.991 -1.073 2.809 323 HB2 LEU 6 HB3 LEU 6 16.892 -0.369 1.762 324 HB3 LEU 6 HB2 LEU 6 17.805 -1.798 2.126 325 HG LEU 6 HG LEU 6 17.311 -1.268 -0.307 326 HD11 LEU 6 HD11 LEU 6 18.271 -3.344 0.366 327 HD12 LEU 6 HD12 LEU 6 17.098 -3.604 -0.924 328 HD13 LEU 6 HD13 LEU 6 16.677 -3.998 0.744 329 HD21 LEU 6 HD21 LEU 6 15.165 -2.389 -1.112 330 HD22 LEU 6 HD22 LEU 6 15.044 -0.769 -0.437 331 HD23 LEU 6 HD23 LEU 6 14.584 -2.165 0.538 332 H GLU 7 H GLU 7 16.722 -4.188 3.127 333 HA GLU 7 HA GLU 7 15.151 -5.684 1.427 334 HB2 GLU 7 HB3 GLU 7 17.237 -6.457 2.513 335 HB3 GLU 7 HB2 GLU 7 16.377 -6.582 4.041 336 HG2 GLU 7 HG3 GLU 7 14.860 -8.248 2.970 337 HG3 GLU 7 HG2 GLU 7 15.930 -8.201 1.549 338 H ASP 8 H ASP 8 14.687 -5.188 4.925 339 HA ASP 8 HA ASP 8 12.351 -6.791 5.041 340 HB2 ASP 8 HB3 ASP 8 13.613 -4.836 6.938 341 HB3 ASP 8 HB2 ASP 8 12.049 -5.563 7.295 342 H LYS 9 H LYS 9 12.811 -3.274 5.003 343 HA LYS 9 HA LYS 9 10.037 -2.665 5.285 344 HB2 LYS 9 HB3 LYS 9 11.873 -0.782 3.836 345 HB3 LYS 9 HB2 LYS 9 10.500 -0.419 4.863 346 HG2 LYS 9 HG3 LYS 9 13.189 -1.401 5.785 347 HG3 LYS 9 HG2 LYS 9 12.508 0.207 6.009 348 HD2 LYS 9 HD3 LYS 9 11.546 -2.371 7.255 349 HD3 LYS 9 HD2 LYS 9 12.315 -1.012 8.068 350 HE2 LYS 9 HE3 LYS 9 10.423 0.393 7.669 351 HE3 LYS 9 HE2 LYS 9 9.679 -0.818 6.626 352 HZ1 LYS 9 HZ1 LYS 9 10.191 -1.143 9.532 353 HZ2 LYS 9 HZ2 LYS 9 9.448 -2.282 8.519 354 HZ3 LYS 9 HZ3 LYS 9 8.691 -0.798 8.832 355 H VAL 10 H VAL 10 12.077 -2.919 2.400 356 HA VAL 10 HA VAL 10 10.171 -1.940 0.560 357 HB VAL 10 HB VAL 10 12.671 -2.355 0.166 358 HG11 VAL 10 HG11 VAL 10 11.659 -5.110 -0.490 359 HG12 VAL 10 HG12 VAL 10 12.804 -4.679 0.779 360 HG13 VAL 10 HG13 VAL 10 13.250 -4.481 -0.915 361 HG21 VAL 10 HG21 VAL 10 11.151 -1.535 -1.551 362 HG22 VAL 10 HG22 VAL 10 10.718 -3.194 -1.968 363 HG23 VAL 10 HG23 VAL 10 12.365 -2.618 -2.230 364 H GLU 11 H GLU 11 10.750 -4.970 2.100 365 HA GLU 11 HA GLU 11 8.853 -6.496 0.570 366 HB2 GLU 11 HB3 GLU 11 10.361 -6.997 3.113 367 HB3 GLU 11 HB2 GLU 11 9.078 -8.087 2.604 368 HG2 GLU 11 HG3 GLU 11 11.510 -7.383 0.980 369 HG3 GLU 11 HG2 GLU 11 11.294 -8.862 1.915 370 H GLU 12 H GLU 12 8.762 -5.107 3.889 371 HA GLU 12 HA GLU 12 6.207 -6.004 4.572 372 HB2 GLU 12 HB3 GLU 12 7.593 -3.447 5.395 373 HB3 GLU 12 HB2 GLU 12 6.157 -4.098 6.169 374 HG2 GLU 12 HG3 GLU 12 7.427 -6.100 6.797 375 HG3 GLU 12 HG2 GLU 12 8.871 -5.388 6.070 376 H LEU 13 H LEU 13 7.082 -2.771 3.480 377 HA LEU 13 HA LEU 13 4.641 -1.634 3.116 378 HB2 LEU 13 HB3 LEU 13 7.045 -1.310 1.327 379 HB3 LEU 13 HB2 LEU 13 5.684 -0.208 1.404 380 HG LEU 13 HG LEU 13 7.594 -0.780 3.672 381 HD11 LEU 13 HD11 LEU 13 7.333 1.598 1.839 382 HD12 LEU 13 HD12 LEU 13 8.680 0.462 1.907 383 HD13 LEU 13 HD13 LEU 13 8.356 1.528 3.274 384 HD21 LEU 13 HD21 LEU 13 5.313 1.180 3.433 385 HD22 LEU 13 HD22 LEU 13 6.475 1.126 4.757 386 HD23 LEU 13 HD23 LEU 13 5.380 -0.230 4.491 387 H LEU 14 H LEU 14 6.370 -3.609 0.690 388 HA LEU 14 HA LEU 14 4.351 -3.297 -1.275 389 HB2 LEU 14 HB3 LEU 14 6.615 -3.840 -1.926 390 HB3 LEU 14 HB2 LEU 14 6.557 -5.348 -1.040 391 HG LEU 14 HG LEU 14 4.830 -6.183 -2.598 392 HD11 LEU 14 HD11 LEU 14 3.822 -4.096 -3.284 393 HD12 LEU 14 HD12 LEU 14 4.430 -4.957 -4.696 394 HD13 LEU 14 HD13 LEU 14 5.328 -3.586 -4.044 395 HD21 LEU 14 HD21 LEU 14 7.344 -5.189 -3.930 396 HD22 LEU 14 HD22 LEU 14 6.311 -6.496 -4.509 397 HD23 LEU 14 HD23 LEU 14 7.187 -6.672 -2.989 398 H SER 15 H SER 15 5.068 -5.920 1.045 399 HA SER 15 HA SER 15 3.057 -7.678 0.243 400 HB2 SER 15 HB3 SER 15 4.066 -7.213 3.061 401 HB3 SER 15 HB2 SER 15 3.260 -8.666 2.467 402 HG SER 15 HG SER 15 5.842 -7.691 1.908 403 H LYS 16 H LYS 16 2.932 -5.044 2.640 404 HA LYS 16 HA LYS 16 0.179 -5.458 3.249 405 HB2 LYS 16 HB3 LYS 16 1.753 -4.325 4.797 406 HB3 LYS 16 HB2 LYS 16 1.873 -2.982 3.671 407 HG2 LYS 16 HG3 LYS 16 -0.512 -2.511 3.979 408 HG3 LYS 16 HG2 LYS 16 -0.626 -3.860 5.111 409 HD2 LYS 16 HD3 LYS 16 0.928 -2.766 6.621 410 HD3 LYS 16 HD2 LYS 16 1.170 -1.457 5.467 411 HE2 LYS 16 HE3 LYS 16 -1.217 -0.855 5.694 412 HE3 LYS 16 HE2 LYS 16 -1.408 -2.121 6.904 413 HZ1 LYS 16 HZ1 LYS 16 0.333 0.276 7.125 414 HZ2 LYS 16 HZ2 LYS 16 0.263 -0.973 8.261 415 HZ3 LYS 16 HZ3 LYS 16 -1.100 -0.016 7.977 416 H ASN 17 H ASN 17 1.928 -3.322 1.036 417 HA ASN 17 HA ASN 17 -0.153 -1.726 0.123 418 HB2 ASN 17 HB3 ASN 17 2.275 -1.494 -0.485 419 HB3 ASN 17 HB2 ASN 17 2.092 -2.873 -1.556 420 HD21 ASN 17 HD21 ASN 17 1.440 0.519 -1.123 421 HD22 ASN 17 HD22 ASN 17 0.843 0.795 -2.717 422 H TYR 18 H TYR 18 0.947 -4.849 -1.190 423 HA TYR 18 HA TYR 18 -0.922 -5.194 -3.172 424 HB2 TYR 18 HB3 TYR 18 1.142 -6.568 -2.598 425 HB3 TYR 18 HB2 TYR 18 0.135 -7.397 -1.413 426 HD1 TYR 18 HD1 TYR 18 0.235 -6.497 -5.004 427 HD2 TYR 18 HD2 TYR 18 -1.067 -9.262 -2.060 428 HE1 TYR 18 HE1 TYR 18 -0.558 -7.982 -6.767 429 HE2 TYR 18 HE2 TYR 18 -1.868 -10.767 -3.818 430 HH TYR 18 HH TYR 18 -1.051 -10.356 -7.103 431 H HIS 19 H HIS 19 -1.116 -6.081 0.255 432 HA HIS 19 HA HIS 19 -3.623 -7.372 0.096 433 HB2 HIS 19 HB3 HIS 19 -2.215 -6.076 2.435 434 HB3 HIS 19 HB2 HIS 19 -3.700 -7.008 2.583 435 HD1 HIS 19 HD1 HIS 19 -1.106 -7.866 4.027 436 HD2 HIS 19 HD2 HIS 19 -2.319 -9.287 0.310 437 HE1 HIS 19 HE1 HIS 19 0.026 -10.095 3.748 438 HE2 HIS 19 HE2 HIS 19 -0.825 -10.994 1.554 439 H LEU 20 H LEU 20 -2.716 -4.051 0.950 440 HA LEU 20 HA LEU 20 -5.307 -3.150 1.568 441 HB2 LEU 20 HB3 LEU 20 -2.961 -1.576 0.515 442 HB3 LEU 20 HB2 LEU 20 -4.408 -0.888 1.222 443 HG LEU 20 HG LEU 20 -2.450 -2.655 2.687 444 HD11 LEU 20 HD11 LEU 20 -2.883 0.321 2.797 445 HD12 LEU 20 HD12 LEU 20 -1.475 -0.506 2.131 446 HD13 LEU 20 HD13 LEU 20 -1.821 -0.605 3.855 447 HD21 LEU 20 HD21 LEU 20 -4.702 -2.863 3.565 448 HD22 LEU 20 HD22 LEU 20 -4.849 -1.109 3.653 449 HD23 LEU 20 HD23 LEU 20 -3.690 -1.949 4.681 450 H GLU 21 H GLU 21 -3.455 -3.019 -1.457 451 HA GLU 21 HA GLU 21 -5.276 -1.546 -2.977 452 HB2 GLU 21 HB3 GLU 21 -2.825 -2.540 -3.439 453 HB3 GLU 21 HB2 GLU 21 -3.760 -3.760 -4.279 454 HG2 GLU 21 HG3 GLU 21 -3.841 -0.804 -4.867 455 HG3 GLU 21 HG2 GLU 21 -2.931 -2.011 -5.767 456 H ASN 22 H ASN 22 -5.020 -5.036 -2.457 457 HA ASN 22 HA ASN 22 -7.183 -5.751 -4.138 458 HB2 ASN 22 HB3 ASN 22 -5.767 -7.172 -1.892 459 HB3 ASN 22 HB2 ASN 22 -7.140 -7.894 -2.724 460 HD21 ASN 22 HD21 ASN 22 -5.838 -9.571 -3.481 461 HD22 ASN 22 HD22 ASN 22 -4.725 -9.340 -4.785 462 H GLU 23 H GLU 23 -6.978 -4.840 -0.746 463 HA GLU 23 HA GLU 23 -9.685 -5.452 -0.125 464 HB2 GLU 23 HB3 GLU 23 -7.530 -3.847 1.167 465 HB3 GLU 23 HB2 GLU 23 -9.188 -3.592 1.692 466 HG2 GLU 23 HG3 GLU 23 -7.763 -6.241 1.664 467 HG3 GLU 23 HG2 GLU 23 -8.005 -5.221 3.083 468 H VAL 24 H VAL 24 -8.019 -2.486 -1.116 469 HA VAL 24 HA VAL 24 -10.134 -0.709 -1.069 470 HB VAL 24 HB VAL 24 -7.901 -0.843 -3.111 471 HG11 VAL 24 HG11 VAL 24 -9.761 1.431 -2.420 472 HG12 VAL 24 HG12 VAL 24 -9.735 0.527 -3.935 473 HG13 VAL 24 HG13 VAL 24 -8.362 1.540 -3.486 474 HG21 VAL 24 HG21 VAL 24 -6.836 0.865 -1.712 475 HG22 VAL 24 HG22 VAL 24 -7.087 -0.640 -0.826 476 HG23 VAL 24 HG23 VAL 24 -8.159 0.733 -0.553 477 H ALA 25 H ALA 25 -9.020 -2.664 -3.830 478 HA ALA 25 HA ALA 25 -11.001 -1.952 -5.644 479 HB1 ALA 25 HB1 ALA 25 -8.939 -3.099 -6.262 480 HB2 ALA 25 HB2 ALA 25 -10.359 -3.931 -6.896 481 HB3 ALA 25 HB3 ALA 25 -9.522 -4.568 -5.481 482 H ARG 26 H ARG 26 -10.994 -4.616 -3.294 483 HA ARG 26 HA ARG 26 -13.376 -5.837 -4.155 484 HB2 ARG 26 HB3 ARG 26 -11.806 -6.959 -2.640 485 HB3 ARG 26 HB2 ARG 26 -12.155 -5.779 -1.385 486 HG2 ARG 26 HG3 ARG 26 -14.439 -6.550 -1.241 487 HG3 ARG 26 HG2 ARG 26 -14.174 -7.668 -2.576 488 HD2 ARG 26 HD2 ARG 26 -14.083 -8.888 -0.510 489 HD3 ARG 26 HD1 ARG 26 -12.467 -8.827 -1.207 490 HE ARG 26 HE ARG 26 -11.840 -7.249 0.475 491 HH11 ARG 26 HH11 ARG 26 -15.037 -8.620 0.936 492 HH12 ARG 26 HH12 ARG 26 -15.056 -8.308 2.642 493 HH21 ARG 26 HH21 ARG 26 -11.860 -6.857 2.721 494 HH22 ARG 26 HH22 ARG 26 -13.258 -7.316 3.657 495 H LEU 27 H LEU 27 -12.779 -3.510 -1.539 496 HA LEU 27 HA LEU 27 -15.472 -3.266 -0.768 497 HB2 LEU 27 HB3 LEU 27 -13.229 -1.274 -0.442 498 HB3 LEU 27 HB2 LEU 27 -14.744 -1.266 0.445 499 HG LEU 27 HG LEU 27 -12.701 -3.473 0.578 500 HD11 LEU 27 HD11 LEU 27 -13.288 -1.270 2.540 501 HD12 LEU 27 HD12 LEU 27 -11.853 -1.391 1.521 502 HD13 LEU 27 HD13 LEU 27 -12.153 -2.598 2.769 503 HD21 LEU 27 HD21 LEU 27 -15.175 -2.934 2.212 504 HD22 LEU 27 HD22 LEU 27 -14.003 -4.217 2.510 505 HD23 LEU 27 HD23 LEU 27 -14.968 -4.233 1.036 506 H LYS 28 H LYS 28 -13.689 -1.768 -3.366 507 HA LYS 28 HA LYS 28 -15.383 0.421 -3.866 508 HB2 LYS 28 HB3 LYS 28 -13.684 -1.240 -5.739 509 HB3 LYS 28 HB2 LYS 28 -14.546 0.201 -6.249 510 HG2 LYS 28 HG3 LYS 28 -12.487 0.190 -4.061 511 HG3 LYS 28 HG2 LYS 28 -12.113 0.506 -5.756 512 HD2 LYS 28 HD3 LYS 28 -13.754 2.379 -5.707 513 HD3 LYS 28 HD2 LYS 28 -13.941 2.104 -3.958 514 HE2 LYS 28 HE3 LYS 28 -11.557 2.551 -3.638 515 HE3 LYS 28 HE2 LYS 28 -11.361 2.794 -5.371 516 HZ1 LYS 28 HZ1 LYS 28 -13.206 4.426 -3.737 517 HZ2 LYS 28 HZ2 LYS 28 -12.644 4.743 -5.299 518 HZ3 LYS 28 HZ3 LYS 28 -11.586 4.855 -3.977 519 H LYS 29 H LYS 29 -15.333 -2.882 -5.186 520 HA LYS 29 HA LYS 29 -17.635 -2.697 -6.766 521 HB2 LYS 29 HB3 LYS 29 -16.614 -5.153 -5.322 522 HB3 LYS 29 HB2 LYS 29 -17.619 -5.125 -6.763 523 HG2 LYS 29 HG3 LYS 29 -15.831 -4.291 -8.098 524 HG3 LYS 29 HG2 LYS 29 -14.838 -3.979 -6.672 525 HD2 LYS 29 HD3 LYS 29 -14.772 -6.396 -6.219 526 HD3 LYS 29 HD2 LYS 29 -15.722 -6.682 -7.680 527 HE2 LYS 29 HE3 LYS 29 -13.951 -5.694 -9.035 528 HE3 LYS 29 HE2 LYS 29 -13.008 -5.370 -7.580 529 HZ1 LYS 29 HZ1 LYS 29 -13.802 -8.063 -8.546 530 HZ2 LYS 29 HZ2 LYS 29 -12.867 -7.738 -7.175 531 HZ3 LYS 29 HZ3 LYS 29 -12.266 -7.376 -8.713 532 H LEU 30 H LEU 30 -17.265 -3.196 -3.325 533 HA LEU 30 HA LEU 30 -19.962 -4.099 -2.929 534 HB2 LEU 30 HB3 LEU 30 -17.664 -3.445 -1.159 535 HB3 LEU 30 HB2 LEU 30 -19.268 -3.427 -0.457 536 HG LEU 30 HG LEU 30 -18.192 -5.567 -0.065 537 HD11 LEU 30 HD11 LEU 30 -20.408 -5.815 -2.089 538 HD12 LEU 30 HD12 LEU 30 -20.615 -5.523 -0.363 539 HD13 LEU 30 HD13 LEU 30 -19.914 -7.042 -0.923 540 HD21 LEU 30 HD21 LEU 30 -18.051 -5.816 -3.066 541 HD22 LEU 30 HD22 LEU 30 -17.657 -7.084 -1.906 542 HD23 LEU 30 HD23 LEU 30 -16.682 -5.616 -1.972 543 H VAL 31 H VAL 31 -18.248 -1.045 -2.180 544 HA VAL 31 HA VAL 31 -20.534 0.375 -1.368 545 HB VAL 31 HB VAL 31 -18.036 1.481 -2.669 546 HG11 VAL 31 HG11 VAL 31 -18.582 3.558 -1.503 547 HG12 VAL 31 HG12 VAL 31 -20.070 2.830 -0.898 548 HG13 VAL 31 HG13 VAL 31 -19.861 3.100 -2.629 549 HG21 VAL 31 HG21 VAL 31 -18.675 0.967 0.231 550 HG22 VAL 31 HG22 VAL 31 -17.273 1.864 -0.351 551 HG23 VAL 31 HG23 VAL 31 -17.451 0.153 -0.743 552 H GLY 32 H GLY 32 -19.195 -0.257 -4.566 553 HA2 GLY 32 HA3 GLY 32 -20.712 -0.356 -6.432 554 HA3 GLY 32 HA2 GLY 32 -21.622 0.959 -5.698 555 H GLU 33 H GLU 33 -21.516 2.361 -7.382 556 HA GLU 33 HA GLU 33 -20.720 3.982 -8.737 557 HB2 GLU 33 HB3 GLU 33 -18.223 3.769 -7.022 558 HB3 GLU 33 HB2 GLU 33 -18.549 5.077 -8.147 559 HG2 GLU 33 HG3 GLU 33 -20.052 4.412 -5.624 560 HG3 GLU 33 HG2 GLU 33 -19.029 5.816 -5.926 Start of MODEL 11 1 H1 GLY 1 H1 GLY 1 21.342 -4.055 -5.945 2 H2 GLY 1 H2 GLY 1 20.686 -2.719 -6.741 3 H3 GLY 1 H3 GLY 1 20.094 -3.174 -5.226 4 HA2 GLY 1 HA2 GLY 1 22.201 -2.636 -4.195 5 HA3 GLY 1 HA3 GLY 1 22.832 -2.180 -5.772 6 H SER 2 H SER 2 23.248 -0.156 -4.553 7 HA SER 2 HA SER 2 22.881 2.047 -4.240 8 HB2 SER 2 HB3 SER 2 22.004 2.054 -6.507 9 HB3 SER 2 HB2 SER 2 20.418 1.550 -5.927 10 HG SER 2 HG SER 2 21.084 3.964 -6.307 11 H MET 3 H MET 3 22.558 2.496 -2.178 12 HA MET 3 HA MET 3 20.266 1.667 -0.707 13 HB2 MET 3 HB3 MET 3 22.380 3.738 -0.102 14 HB3 MET 3 HB2 MET 3 21.113 3.278 1.026 15 HG2 MET 3 HG3 MET 3 21.951 0.969 0.989 16 HG3 MET 3 HG2 MET 3 23.251 1.478 -0.088 17 HE1 MET 3 HE1 MET 3 23.791 -0.058 2.666 18 HE2 MET 3 HE2 MET 3 25.172 0.869 3.252 19 HE3 MET 3 HE3 MET 3 25.042 0.465 1.540 20 H LYS 4 H LYS 4 21.030 4.388 -2.697 21 HA LYS 4 HA LYS 4 18.945 6.090 -1.765 22 HB2 LYS 4 HB3 LYS 4 20.898 6.929 -3.042 23 HB3 LYS 4 HB2 LYS 4 20.297 6.092 -4.469 24 HG2 LYS 4 HG3 LYS 4 19.654 8.361 -4.677 25 HG3 LYS 4 HG2 LYS 4 18.197 7.453 -4.262 26 HD2 LYS 4 HD3 LYS 4 18.749 8.074 -1.830 27 HD3 LYS 4 HD2 LYS 4 19.840 9.271 -2.527 28 HE2 LYS 4 HE3 LYS 4 17.844 10.435 -2.169 29 HE3 LYS 4 HE2 LYS 4 17.830 10.053 -3.888 30 HZ1 LYS 4 HZ1 LYS 4 16.400 8.532 -1.772 31 HZ2 LYS 4 HZ2 LYS 4 16.355 8.191 -3.440 32 HZ3 LYS 4 HZ3 LYS 4 15.686 9.628 -2.847 33 H GLN 5 H GLN 5 19.219 3.898 -4.576 34 HA GLN 5 HA GLN 5 16.647 4.440 -5.580 35 HB2 GLN 5 HB3 GLN 5 18.416 3.362 -6.917 36 HB3 GLN 5 HB2 GLN 5 18.290 1.924 -5.913 37 HG2 GLN 5 HG3 GLN 5 17.120 1.684 -8.052 38 HG3 GLN 5 HG2 GLN 5 16.035 1.537 -6.670 39 HE21 GLN 5 HE21 GLN 5 14.214 2.080 -7.840 40 HE22 GLN 5 HE22 GLN 5 13.919 3.684 -8.415 41 H LEU 6 H LEU 6 17.829 1.894 -3.408 42 HA LEU 6 HA LEU 6 15.369 0.563 -3.088 43 HB2 LEU 6 HB3 LEU 6 17.689 0.818 -1.169 44 HB3 LEU 6 HB2 LEU 6 16.308 -0.221 -0.896 45 HG LEU 6 HG LEU 6 18.245 -0.489 -3.201 46 HD11 LEU 6 HD11 LEU 6 19.261 -1.044 -1.052 47 HD12 LEU 6 HD12 LEU 6 19.023 -2.481 -2.045 48 HD13 LEU 6 HD13 LEU 6 17.928 -2.144 -0.705 49 HD21 LEU 6 HD21 LEU 6 15.922 -2.198 -2.323 50 HD22 LEU 6 HD22 LEU 6 17.108 -2.655 -3.544 51 HD23 LEU 6 HD23 LEU 6 16.047 -1.275 -3.820 52 H GLU 7 H GLU 7 16.757 3.354 -1.486 53 HA GLU 7 HA GLU 7 14.823 3.703 0.516 54 HB2 GLU 7 HB3 GLU 7 16.902 4.871 0.649 55 HB3 GLU 7 HB2 GLU 7 16.659 5.614 -0.922 56 HG2 GLU 7 HG3 GLU 7 14.745 6.869 0.027 57 HG3 GLU 7 HG2 GLU 7 15.168 6.209 1.627 58 H ASP 8 H ASP 8 15.056 4.951 -2.794 59 HA ASP 8 HA ASP 8 12.748 6.526 -2.814 60 HB2 ASP 8 HB3 ASP 8 14.351 5.147 -4.922 61 HB3 ASP 8 HB2 ASP 8 12.766 5.776 -5.361 62 H LYS 9 H LYS 9 13.172 3.118 -3.632 63 HA LYS 9 HA LYS 9 10.503 2.481 -4.215 64 HB2 LYS 9 HB3 LYS 9 12.173 0.557 -2.626 65 HB3 LYS 9 HB2 LYS 9 11.002 0.227 -3.893 66 HG2 LYS 9 HG3 LYS 9 12.532 1.202 -5.560 67 HG3 LYS 9 HG2 LYS 9 13.736 1.417 -4.291 68 HD2 LYS 9 HD3 LYS 9 14.220 -0.601 -5.522 69 HD3 LYS 9 HD2 LYS 9 13.694 -1.026 -3.892 70 HE2 LYS 9 HE3 LYS 9 11.469 -1.540 -4.722 71 HE3 LYS 9 HE2 LYS 9 11.938 -1.041 -6.345 72 HZ1 LYS 9 HZ1 LYS 9 13.473 -2.851 -6.466 73 HZ2 LYS 9 HZ2 LYS 9 11.967 -3.468 -6.011 74 HZ3 LYS 9 HZ3 LYS 9 13.189 -3.285 -4.857 75 H VAL 10 H VAL 10 12.176 2.324 -1.097 76 HA VAL 10 HA VAL 10 10.095 1.365 0.505 77 HB VAL 10 HB VAL 10 12.303 3.294 1.266 78 HG11 VAL 10 HG11 VAL 10 10.538 1.589 3.020 79 HG12 VAL 10 HG12 VAL 10 10.480 3.346 2.884 80 HG13 VAL 10 HG13 VAL 10 11.905 2.560 3.565 81 HG21 VAL 10 HG21 VAL 10 13.405 1.269 2.163 82 HG22 VAL 10 HG22 VAL 10 13.204 1.227 0.411 83 HG23 VAL 10 HG23 VAL 10 12.125 0.291 1.445 84 H GLU 11 H GLU 11 11.032 4.553 -0.495 85 HA GLU 11 HA GLU 11 9.112 6.012 1.015 86 HB2 GLU 11 HB3 GLU 11 11.137 7.062 0.184 87 HB3 GLU 11 HB2 GLU 11 10.648 6.756 -1.476 88 HG2 GLU 11 HG3 GLU 11 8.773 8.275 -1.228 89 HG3 GLU 11 HG2 GLU 11 9.204 8.549 0.461 90 H GLU 12 H GLU 12 9.207 5.072 -2.433 91 HA GLU 12 HA GLU 12 6.766 6.269 -3.150 92 HB2 GLU 12 HB3 GLU 12 8.484 5.524 -4.750 93 HB3 GLU 12 HB2 GLU 12 8.125 3.850 -4.350 94 HG2 GLU 12 HG3 GLU 12 5.853 4.140 -5.216 95 HG3 GLU 12 HG2 GLU 12 6.241 5.808 -5.641 96 H LEU 13 H LEU 13 7.441 2.838 -2.587 97 HA LEU 13 HA LEU 13 4.905 1.817 -2.636 98 HB2 LEU 13 HB3 LEU 13 7.228 1.000 -0.904 99 HB3 LEU 13 HB2 LEU 13 5.765 0.052 -1.080 100 HG LEU 13 HG LEU 13 7.615 0.771 -3.354 101 HD11 LEU 13 HD11 LEU 13 8.732 -0.720 -1.814 102 HD12 LEU 13 HD12 LEU 13 8.269 -1.600 -3.273 103 HD13 LEU 13 HD13 LEU 13 7.329 -1.788 -1.792 104 HD21 LEU 13 HD21 LEU 13 5.255 -1.098 -3.185 105 HD22 LEU 13 HD22 LEU 13 6.336 -0.943 -4.569 106 HD23 LEU 13 HD23 LEU 13 5.330 0.419 -4.081 107 H LEU 14 H LEU 14 6.530 3.215 0.216 108 HA LEU 14 HA LEU 14 4.444 2.705 2.021 109 HB2 LEU 14 HB3 LEU 14 6.660 3.258 2.811 110 HB3 LEU 14 HB2 LEU 14 6.578 4.841 2.072 111 HG LEU 14 HG LEU 14 4.749 5.446 3.639 112 HD11 LEU 14 HD11 LEU 14 4.370 4.017 5.603 113 HD12 LEU 14 HD12 LEU 14 5.372 2.764 4.869 114 HD13 LEU 14 HD13 LEU 14 3.857 3.244 4.104 115 HD21 LEU 14 HD21 LEU 14 7.296 4.480 4.930 116 HD22 LEU 14 HD22 LEU 14 6.173 5.655 5.615 117 HD23 LEU 14 HD23 LEU 14 7.056 6.038 4.137 118 H SER 15 H SER 15 5.134 5.537 -0.018 119 HA SER 15 HA SER 15 3.023 7.150 0.868 120 HB2 SER 15 HB3 SER 15 4.180 7.024 -1.928 121 HB3 SER 15 HB2 SER 15 3.335 8.389 -1.196 122 HG SER 15 HG SER 15 5.900 7.354 -0.607 123 H LYS 16 H LYS 16 3.162 4.707 -1.703 124 HA LYS 16 HA LYS 16 0.442 5.052 -2.485 125 HB2 LYS 16 HB3 LYS 16 2.042 4.138 -4.059 126 HB3 LYS 16 HB2 LYS 16 2.385 2.791 -2.985 127 HG2 LYS 16 HG3 LYS 16 0.179 1.893 -3.318 128 HG3 LYS 16 HG2 LYS 16 -0.294 3.306 -4.264 129 HD2 LYS 16 HD3 LYS 16 1.281 2.739 -5.991 130 HD3 LYS 16 HD2 LYS 16 1.924 1.415 -5.022 131 HE2 LYS 16 HE3 LYS 16 -0.946 1.553 -5.920 132 HE3 LYS 16 HE2 LYS 16 0.318 0.762 -6.856 133 HZ1 LYS 16 HZ1 LYS 16 -1.037 -0.700 -5.367 134 HZ2 LYS 16 HZ2 LYS 16 -0.284 0.045 -4.044 135 HZ3 LYS 16 HZ3 LYS 16 0.641 -0.819 -5.167 136 H ASN 17 H ASN 17 2.127 2.784 -0.354 137 HA ASN 17 HA ASN 17 0.077 1.037 0.286 138 HB2 ASN 17 HB3 ASN 17 2.496 0.965 1.046 139 HB3 ASN 17 HB2 ASN 17 2.073 2.148 2.276 140 HD21 ASN 17 HD21 ASN 17 3.133 -0.471 2.701 141 HD22 ASN 17 HD22 ASN 17 1.963 -1.356 3.602 142 H TYR 18 H TYR 18 0.900 4.108 1.896 143 HA TYR 18 HA TYR 18 -1.245 4.159 3.676 144 HB2 TYR 18 HB3 TYR 18 0.940 5.660 3.361 145 HB3 TYR 18 HB2 TYR 18 -0.227 6.725 2.577 146 HD1 TYR 18 HD1 TYR 18 0.507 4.908 5.694 147 HD2 TYR 18 HD2 TYR 18 -1.722 8.027 3.864 148 HE1 TYR 18 HE1 TYR 18 -0.224 5.662 7.900 149 HE2 TYR 18 HE2 TYR 18 -2.463 8.799 6.075 150 HH TYR 18 HH TYR 18 -1.059 7.675 8.979 151 H HIS 19 H HIS 19 -1.036 5.045 0.307 152 HA HIS 19 HA HIS 19 -3.340 6.639 0.083 153 HB2 HIS 19 HB3 HIS 19 -1.431 5.999 -1.654 154 HB3 HIS 19 HB2 HIS 19 -2.596 4.766 -2.128 155 HD1 HIS 19 HD1 HIS 19 -5.165 5.981 -2.537 156 HD2 HIS 19 HD2 HIS 19 -1.706 8.226 -3.111 157 HE1 HIS 19 HE1 HIS 19 -5.826 7.886 -4.030 158 HE2 HIS 19 HE2 HIS 19 -3.687 9.120 -4.502 159 H LEU 20 H LEU 20 -2.870 3.149 -0.420 160 HA LEU 20 HA LEU 20 -5.631 2.641 -0.881 161 HB2 LEU 20 HB3 LEU 20 -3.420 0.718 -0.145 162 HB3 LEU 20 HB2 LEU 20 -5.059 0.237 -0.497 163 HG LEU 20 HG LEU 20 -3.796 -0.172 -2.448 164 HD11 LEU 20 HD11 LEU 20 -4.837 1.302 -4.110 165 HD12 LEU 20 HD12 LEU 20 -5.372 2.357 -2.804 166 HD13 LEU 20 HD13 LEU 20 -5.973 0.703 -2.906 167 HD21 LEU 20 HD21 LEU 20 -2.489 1.509 -3.615 168 HD22 LEU 20 HD22 LEU 20 -1.871 1.222 -1.988 169 HD23 LEU 20 HD23 LEU 20 -2.825 2.667 -2.327 170 H GLU 21 H GLU 21 -3.590 2.554 1.985 171 HA GLU 21 HA GLU 21 -5.312 1.397 3.814 172 HB2 GLU 21 HB3 GLU 21 -3.260 3.573 4.045 173 HB3 GLU 21 HB2 GLU 21 -4.245 3.152 5.436 174 HG2 GLU 21 HG3 GLU 21 -2.649 1.114 3.917 175 HG3 GLU 21 HG2 GLU 21 -1.980 2.037 5.258 176 H ASN 22 H ASN 22 -5.226 4.761 2.705 177 HA ASN 22 HA ASN 22 -7.346 5.650 4.365 178 HB2 ASN 22 HB3 ASN 22 -6.248 6.783 1.787 179 HB3 ASN 22 HB2 ASN 22 -7.431 7.601 2.797 180 HD21 ASN 22 HD21 ASN 22 -6.161 6.612 5.276 181 HD22 ASN 22 HD22 ASN 22 -4.743 7.578 5.472 182 H GLU 23 H GLU 23 -7.230 4.526 0.998 183 HA GLU 23 HA GLU 23 -9.928 4.923 0.363 184 HB2 GLU 23 HB3 GLU 23 -7.713 3.333 -0.730 185 HB3 GLU 23 HB2 GLU 23 -9.307 2.666 -1.052 186 HG2 GLU 23 HG3 GLU 23 -8.636 4.065 -2.876 187 HG3 GLU 23 HG2 GLU 23 -9.983 4.819 -2.026 188 H VAL 24 H VAL 24 -8.295 2.056 1.684 189 HA VAL 24 HA VAL 24 -10.441 0.326 1.789 190 HB VAL 24 HB VAL 24 -8.125 0.571 3.712 191 HG11 VAL 24 HG11 VAL 24 -9.948 -0.596 4.822 192 HG12 VAL 24 HG12 VAL 24 -8.657 -1.723 4.411 193 HG13 VAL 24 HG13 VAL 24 -10.126 -1.671 3.436 194 HG21 VAL 24 HG21 VAL 24 -8.658 -1.151 1.305 195 HG22 VAL 24 HG22 VAL 24 -7.358 -1.459 2.448 196 HG23 VAL 24 HG23 VAL 24 -7.376 0.040 1.520 197 H ALA 25 H ALA 25 -9.335 2.587 4.291 198 HA ALA 25 HA ALA 25 -11.312 2.069 6.195 199 HB1 ALA 25 HB1 ALA 25 -9.844 4.653 5.710 200 HB2 ALA 25 HB2 ALA 25 -9.250 3.293 6.661 201 HB3 ALA 25 HB3 ALA 25 -10.673 4.185 7.193 202 H ARG 26 H ARG 26 -11.272 4.469 3.569 203 HA ARG 26 HA ARG 26 -13.677 5.746 4.296 204 HB2 ARG 26 HB3 ARG 26 -12.169 6.893 2.849 205 HB3 ARG 26 HB2 ARG 26 -12.183 5.580 1.682 206 HG2 ARG 26 HG3 ARG 26 -14.358 6.106 0.959 207 HG3 ARG 26 HG2 ARG 26 -14.646 7.161 2.343 208 HD2 ARG 26 HD2 ARG 26 -14.213 8.365 0.207 209 HD3 ARG 26 HD1 ARG 26 -13.113 8.787 1.514 210 HE ARG 26 HE ARG 26 -11.527 7.169 0.381 211 HH11 ARG 26 HH11 ARG 26 -13.957 8.968 -1.384 212 HH12 ARG 26 HH12 ARG 26 -13.038 9.016 -2.855 213 HH21 ARG 26 HH21 ARG 26 -10.296 7.251 -1.558 214 HH22 ARG 26 HH22 ARG 26 -10.969 8.045 -2.955 215 H LEU 27 H LEU 27 -13.005 3.134 1.982 216 HA LEU 27 HA LEU 27 -15.650 2.865 1.060 217 HB2 LEU 27 HB3 LEU 27 -13.377 0.889 1.152 218 HB3 LEU 27 HB2 LEU 27 -14.897 0.578 0.331 219 HG LEU 27 HG LEU 27 -13.105 2.897 -0.344 220 HD11 LEU 27 HD11 LEU 27 -12.388 1.575 -2.276 221 HD12 LEU 27 HD12 LEU 27 -13.261 0.184 -1.633 222 HD13 LEU 27 HD13 LEU 27 -11.890 0.854 -0.748 223 HD21 LEU 27 HD21 LEU 27 -15.411 3.199 -1.015 224 HD22 LEU 27 HD22 LEU 27 -15.420 1.614 -1.782 225 HD23 LEU 27 HD23 LEU 27 -14.409 2.902 -2.434 226 H LYS 28 H LYS 28 -14.030 1.549 3.893 227 HA LYS 28 HA LYS 28 -16.008 -0.357 4.564 228 HB2 LYS 28 HB3 LYS 28 -13.970 1.123 6.234 229 HB3 LYS 28 HB2 LYS 28 -15.069 -0.061 6.923 230 HG2 LYS 28 HG3 LYS 28 -14.122 -1.795 5.501 231 HG3 LYS 28 HG2 LYS 28 -13.050 -0.605 4.755 232 HD2 LYS 28 HD3 LYS 28 -11.928 -0.219 6.850 233 HD3 LYS 28 HD2 LYS 28 -13.091 -1.259 7.704 234 HE2 LYS 28 HE3 LYS 28 -12.299 -3.187 6.426 235 HE3 LYS 28 HE2 LYS 28 -11.162 -2.159 5.557 236 HZ1 LYS 28 HZ1 LYS 28 -11.144 -2.663 8.482 237 HZ2 LYS 28 HZ2 LYS 28 -10.050 -1.685 7.649 238 HZ3 LYS 28 HZ3 LYS 28 -10.084 -3.347 7.359 239 H LYS 29 H LYS 29 -15.463 3.009 5.554 240 HA LYS 29 HA LYS 29 -17.671 3.355 7.187 241 HB2 LYS 29 HB3 LYS 29 -15.923 5.014 7.039 242 HB3 LYS 29 HB2 LYS 29 -16.253 5.280 5.336 243 HG2 LYS 29 HG3 LYS 29 -18.467 6.203 5.955 244 HG3 LYS 29 HG2 LYS 29 -18.024 6.035 7.656 245 HD2 LYS 29 HD3 LYS 29 -16.103 7.509 7.299 246 HD3 LYS 29 HD2 LYS 29 -16.555 7.685 5.603 247 HE2 LYS 29 HE3 LYS 29 -18.671 8.696 6.263 248 HE3 LYS 29 HE2 LYS 29 -18.244 8.501 7.963 249 HZ1 LYS 29 HZ1 LYS 29 -16.778 10.162 5.991 250 HZ2 LYS 29 HZ2 LYS 29 -16.363 9.974 7.616 251 HZ3 LYS 29 HZ3 LYS 29 -17.807 10.743 7.199 252 H LEU 30 H LEU 30 -17.408 3.596 3.667 253 HA LEU 30 HA LEU 30 -19.990 4.630 3.200 254 HB2 LEU 30 HB3 LEU 30 -18.226 2.991 1.383 255 HB3 LEU 30 HB2 LEU 30 -19.653 3.870 0.873 256 HG LEU 30 HG LEU 30 -17.106 5.073 1.956 257 HD11 LEU 30 HD11 LEU 30 -16.877 6.006 -0.276 258 HD12 LEU 30 HD12 LEU 30 -18.361 5.200 -0.781 259 HD13 LEU 30 HD13 LEU 30 -16.947 4.246 -0.340 260 HD21 LEU 30 HD21 LEU 30 -19.670 6.395 1.078 261 HD22 LEU 30 HD22 LEU 30 -18.157 7.235 1.416 262 HD23 LEU 30 HD23 LEU 30 -18.996 6.379 2.708 263 H VAL 31 H VAL 31 -18.790 1.283 2.794 264 HA VAL 31 HA VAL 31 -21.437 0.249 2.460 265 HB VAL 31 HB VAL 31 -19.319 -0.687 1.443 266 HG11 VAL 31 HG11 VAL 31 -18.958 -1.826 4.207 267 HG12 VAL 31 HG12 VAL 31 -17.894 -0.680 3.390 268 HG13 VAL 31 HG13 VAL 31 -18.059 -2.324 2.773 269 HG21 VAL 31 HG21 VAL 31 -21.115 -2.583 2.936 270 HG22 VAL 31 HG22 VAL 31 -20.070 -3.013 1.581 271 HG23 VAL 31 HG23 VAL 31 -21.409 -1.890 1.343 272 H GLY 32 H GLY 32 -20.119 1.448 5.157 273 HA2 GLY 32 HA3 GLY 32 -20.707 -0.758 6.965 274 HA3 GLY 32 HA2 GLY 32 -19.968 0.774 7.397 275 H GLU 33 H GLU 33 -23.017 -0.009 5.761 276 HA GLU 33 HA GLU 33 -24.449 1.169 8.033 277 HB2 GLU 33 HB3 GLU 33 -24.893 1.773 5.099 278 HB3 GLU 33 HB2 GLU 33 -26.082 2.155 6.333 279 HG2 GLU 33 HG3 GLU 33 -24.477 3.644 7.417 280 HG3 GLU 33 HG2 GLU 33 -23.269 3.232 6.199 281 H1 GLY 1 H1 GLY 1 21.377 3.861 6.253 282 H2 GLY 1 H2 GLY 1 20.754 2.520 7.068 283 H3 GLY 1 H3 GLY 1 20.131 2.953 5.564 284 HA2 GLY 1 HA2 GLY 1 22.229 2.441 4.501 285 HA3 GLY 1 HA3 GLY 1 22.891 2.002 6.070 286 H SER 2 H SER 2 23.312 -0.025 4.848 287 HA SER 2 HA SER 2 22.966 -2.232 4.550 288 HB2 SER 2 HB3 SER 2 22.125 -2.236 6.831 289 HB3 SER 2 HB2 SER 2 20.523 -1.767 6.270 290 HG SER 2 HG SER 2 21.216 -4.158 6.661 291 H MET 3 H MET 3 22.621 -2.678 2.489 292 HA MET 3 HA MET 3 20.295 -1.902 1.049 293 HB2 MET 3 HB3 MET 3 22.434 -3.945 0.427 294 HB3 MET 3 HB2 MET 3 21.147 -3.509 -0.687 295 HG2 MET 3 HG3 MET 3 21.952 -1.183 -0.664 296 HG3 MET 3 HG2 MET 3 23.277 -1.676 0.387 297 HE1 MET 3 HE1 MET 3 23.761 -0.138 -2.380 298 HE2 MET 3 HE2 MET 3 25.144 -1.055 -2.978 299 HE3 MET 3 HE3 MET 3 25.031 -0.648 -1.266 300 H LYS 4 H LYS 4 21.133 -4.606 3.038 301 HA LYS 4 HA LYS 4 19.055 -6.334 2.147 302 HB2 LYS 4 HB3 LYS 4 21.034 -7.142 3.407 303 HB3 LYS 4 HB2 LYS 4 20.437 -6.308 4.835 304 HG2 LYS 4 HG3 LYS 4 19.827 -8.586 5.056 305 HG3 LYS 4 HG2 LYS 4 18.355 -7.696 4.660 306 HD2 LYS 4 HD3 LYS 4 18.877 -8.321 2.222 307 HD3 LYS 4 HD2 LYS 4 19.991 -9.503 2.908 308 HE2 LYS 4 HE3 LYS 4 18.004 -10.692 2.583 309 HE3 LYS 4 HE2 LYS 4 18.005 -10.301 4.301 310 HZ1 LYS 4 HZ1 LYS 4 16.529 -8.811 2.193 311 HZ2 LYS 4 HZ2 LYS 4 16.505 -8.456 3.854 312 HZ3 LYS 4 HZ3 LYS 4 15.844 -9.907 3.287 313 H GLN 5 H GLN 5 19.341 -4.122 4.942 314 HA GLN 5 HA GLN 5 16.789 -4.691 5.982 315 HB2 GLN 5 HB3 GLN 5 18.562 -3.589 7.291 316 HB3 GLN 5 HB2 GLN 5 18.403 -2.154 6.287 317 HG2 GLN 5 HG3 GLN 5 17.257 -1.934 8.445 318 HG3 GLN 5 HG2 GLN 5 16.155 -1.794 7.075 319 HE21 GLN 5 HE21 GLN 5 14.360 -2.351 8.272 320 HE22 GLN 5 HE22 GLN 5 14.083 -3.957 8.852 321 H LEU 6 H LEU 6 17.907 -2.140 3.784 322 HA LEU 6 HA LEU 6 15.428 -0.840 3.501 323 HB2 LEU 6 HB3 LEU 6 17.721 -1.078 1.546 324 HB3 LEU 6 HB2 LEU 6 16.323 -0.055 1.288 325 HG LEU 6 HG LEU 6 18.289 0.244 3.566 326 HD11 LEU 6 HD11 LEU 6 19.268 0.804 1.401 327 HD12 LEU 6 HD12 LEU 6 19.025 2.241 2.393 328 HD13 LEU 6 HD13 LEU 6 17.915 1.887 1.072 329 HD21 LEU 6 HD21 LEU 6 15.930 1.916 2.711 330 HD22 LEU 6 HD22 LEU 6 17.127 2.397 3.911 331 HD23 LEU 6 HD23 LEU 6 16.091 1.005 4.213 332 H GLU 7 H GLU 7 16.822 -3.621 1.891 333 HA GLU 7 HA GLU 7 14.863 -4.003 -0.083 334 HB2 GLU 7 HB3 GLU 7 16.959 -5.143 -0.241 335 HB3 GLU 7 HB2 GLU 7 16.746 -5.883 1.337 336 HG2 GLU 7 HG3 GLU 7 14.847 -7.177 0.421 337 HG3 GLU 7 HG2 GLU 7 15.224 -6.509 -1.185 338 H ASP 8 H ASP 8 15.163 -5.238 3.227 339 HA ASP 8 HA ASP 8 12.881 -6.846 3.286 340 HB2 ASP 8 HB3 ASP 8 14.496 -5.435 5.360 341 HB3 ASP 8 HB2 ASP 8 12.924 -6.073 5.829 342 H LYS 9 H LYS 9 13.268 -3.427 4.086 343 HA LYS 9 HA LYS 9 10.599 -2.819 4.697 344 HB2 LYS 9 HB3 LYS 9 12.226 -0.879 3.081 345 HB3 LYS 9 HB2 LYS 9 11.067 -0.561 4.363 346 HG2 LYS 9 HG3 LYS 9 12.633 -1.510 6.012 347 HG3 LYS 9 HG2 LYS 9 13.822 -1.717 4.728 348 HD2 LYS 9 HD3 LYS 9 14.300 0.313 5.942 349 HD3 LYS 9 HD2 LYS 9 13.741 0.725 4.320 350 HE2 LYS 9 HE3 LYS 9 11.527 1.219 5.183 351 HE3 LYS 9 HE2 LYS 9 12.024 0.725 6.799 352 HZ1 LYS 9 HZ1 LYS 9 13.544 2.549 6.900 353 HZ2 LYS 9 HZ2 LYS 9 12.027 3.149 6.465 354 HZ3 LYS 9 HZ3 LYS 9 13.232 2.979 5.295 355 H VAL 10 H VAL 10 12.231 -2.649 1.556 356 HA VAL 10 HA VAL 10 10.116 -1.722 -0.020 357 HB VAL 10 HB VAL 10 12.335 -3.630 -0.799 358 HG11 VAL 10 HG11 VAL 10 10.527 -1.956 -2.538 359 HG12 VAL 10 HG12 VAL 10 10.492 -3.714 -2.396 360 HG13 VAL 10 HG13 VAL 10 11.898 -2.912 -3.097 361 HG21 VAL 10 HG21 VAL 10 13.396 -1.596 -1.723 362 HG22 VAL 10 HG22 VAL 10 13.218 -1.549 0.030 363 HG23 VAL 10 HG23 VAL 10 12.112 -0.631 -0.991 364 H GLU 11 H GLU 11 11.110 -4.897 0.969 365 HA GLU 11 HA GLU 11 9.179 -6.383 -0.498 366 HB2 GLU 11 HB3 GLU 11 11.232 -7.399 0.307 367 HB3 GLU 11 HB2 GLU 11 10.762 -7.093 1.971 368 HG2 GLU 11 HG3 GLU 11 8.898 -8.638 1.746 369 HG3 GLU 11 HG2 GLU 11 9.331 -8.926 0.061 370 H GLU 12 H GLU 12 9.312 -5.419 2.942 371 HA GLU 12 HA GLU 12 6.900 -6.652 3.699 372 HB2 GLU 12 HB3 GLU 12 8.631 -5.881 5.273 373 HB3 GLU 12 HB2 GLU 12 8.245 -4.214 4.873 374 HG2 GLU 12 HG3 GLU 12 5.986 -4.537 5.762 375 HG3 GLU 12 HG2 GLU 12 6.409 -6.192 6.199 376 H LEU 13 H LEU 13 7.521 -3.214 3.117 377 HA LEU 13 HA LEU 13 4.972 -2.225 3.199 378 HB2 LEU 13 HB3 LEU 13 7.261 -1.386 1.432 379 HB3 LEU 13 HB2 LEU 13 5.787 -0.455 1.625 380 HG LEU 13 HG LEU 13 7.679 -1.145 3.872 381 HD11 LEU 13 HD11 LEU 13 8.754 0.351 2.312 382 HD12 LEU 13 HD12 LEU 13 8.304 1.233 3.771 383 HD13 LEU 13 HD13 LEU 13 7.340 1.404 2.304 384 HD21 LEU 13 HD21 LEU 13 5.288 0.690 3.741 385 HD22 LEU 13 HD22 LEU 13 6.395 0.555 5.106 386 HD23 LEU 13 HD23 LEU 13 5.402 -0.824 4.638 387 H LEU 14 H LEU 14 6.572 -3.614 0.328 388 HA LEU 14 HA LEU 14 4.453 -3.139 -1.448 389 HB2 LEU 14 HB3 LEU 14 6.666 -3.667 -2.267 390 HB3 LEU 14 HB2 LEU 14 6.614 -5.249 -1.522 391 HG LEU 14 HG LEU 14 4.771 -5.880 -3.061 392 HD11 LEU 14 HD11 LEU 14 4.347 -4.462 -5.025 393 HD12 LEU 14 HD12 LEU 14 5.345 -3.195 -4.309 394 HD13 LEU 14 HD13 LEU 14 3.846 -3.690 -3.522 395 HD21 LEU 14 HD21 LEU 14 7.291 -4.896 -4.393 396 HD22 LEU 14 HD22 LEU 14 6.170 -6.083 -5.057 397 HD23 LEU 14 HD23 LEU 14 7.077 -6.452 -3.592 398 H SER 15 H SER 15 5.208 -5.956 0.594 399 HA SER 15 HA SER 15 3.107 -7.598 -0.257 400 HB2 SER 15 HB3 SER 15 4.301 -7.442 2.523 401 HB3 SER 15 HB2 SER 15 3.451 -8.818 1.820 402 HG SER 15 HG SER 15 5.988 -7.760 1.121 403 H LYS 16 H LYS 16 3.253 -5.140 2.297 404 HA LYS 16 HA LYS 16 0.547 -5.511 3.118 405 HB2 LYS 16 HB3 LYS 16 2.159 -4.572 4.665 406 HB3 LYS 16 HB2 LYS 16 2.470 -3.225 3.582 407 HG2 LYS 16 HG3 LYS 16 0.257 -2.352 3.944 408 HG3 LYS 16 HG2 LYS 16 -0.183 -3.766 4.905 409 HD2 LYS 16 HD3 LYS 16 1.419 -3.170 6.604 410 HD3 LYS 16 HD2 LYS 16 2.020 -1.836 5.618 411 HE2 LYS 16 HE3 LYS 16 -0.828 -2.025 6.571 412 HE3 LYS 16 HE2 LYS 16 0.437 -1.204 7.481 413 HZ1 LYS 16 HZ1 LYS 16 -0.977 0.222 6.008 414 HZ2 LYS 16 HZ2 LYS 16 -0.232 -0.512 4.676 415 HZ3 LYS 16 HZ3 LYS 16 0.692 0.375 5.778 416 H ASN 17 H ASN 17 2.175 -3.233 0.959 417 HA ASN 17 HA ASN 17 0.096 -1.515 0.341 418 HB2 ASN 17 HB3 ASN 17 2.501 -1.416 -0.452 419 HB3 ASN 17 HB2 ASN 17 2.078 -2.610 -1.670 420 HD21 ASN 17 HD21 ASN 17 3.100 0.020 -2.124 421 HD22 ASN 17 HD22 ASN 17 1.906 0.885 -3.014 422 H TYR 18 H TYR 18 0.934 -4.584 -1.265 423 HA TYR 18 HA TYR 18 -1.234 -4.666 -3.018 424 HB2 TYR 18 HB3 TYR 18 0.974 -6.141 -2.727 425 HB3 TYR 18 HB2 TYR 18 -0.169 -7.216 -1.925 426 HD1 TYR 18 HD1 TYR 18 0.502 -5.410 -5.064 427 HD2 TYR 18 HD2 TYR 18 -1.667 -8.540 -3.182 428 HE1 TYR 18 HE1 TYR 18 -0.251 -6.188 -7.252 429 HE2 TYR 18 HE2 TYR 18 -2.430 -9.334 -5.375 430 HH TYR 18 HH TYR 18 -1.078 -8.206 -8.308 431 H HIS 19 H HIS 19 -0.968 -5.541 0.353 432 HA HIS 19 HA HIS 19 -3.250 -7.161 0.612 433 HB2 HIS 19 HB3 HIS 19 -1.325 -6.488 2.317 434 HB3 HIS 19 HB2 HIS 19 -2.495 -5.266 2.802 435 HD1 HIS 19 HD1 HIS 19 -5.041 -6.508 3.264 436 HD2 HIS 19 HD2 HIS 19 -1.547 -8.707 3.793 437 HE1 HIS 19 HE1 HIS 19 -5.655 -8.413 4.780 438 HE2 HIS 19 HE2 HIS 19 -3.497 -9.633 5.208 439 H LEU 20 H LEU 20 -2.815 -3.660 1.095 440 HA LEU 20 HA LEU 20 -5.575 -3.184 1.588 441 HB2 LEU 20 HB3 LEU 20 -3.396 -1.239 0.817 442 HB3 LEU 20 HB2 LEU 20 -5.037 -0.776 1.188 443 HG LEU 20 HG LEU 20 -3.756 -0.345 3.121 444 HD11 LEU 20 HD11 LEU 20 -4.751 -1.826 4.803 445 HD12 LEU 20 HD12 LEU 20 -5.292 -2.894 3.509 446 HD13 LEU 20 HD13 LEU 20 -5.913 -1.247 3.614 447 HD21 LEU 20 HD21 LEU 20 -2.413 -1.999 4.277 448 HD22 LEU 20 HD22 LEU 20 -1.818 -1.715 2.642 449 HD23 LEU 20 HD23 LEU 20 -2.749 -3.169 3.001 450 H GLU 21 H GLU 21 -3.575 -3.086 -1.303 451 HA GLU 21 HA GLU 21 -5.341 -1.959 -3.114 452 HB2 GLU 21 HB3 GLU 21 -3.261 -4.106 -3.371 453 HB3 GLU 21 HB2 GLU 21 -4.272 -3.699 -4.749 454 HG2 GLU 21 HG3 GLU 21 -2.680 -1.639 -3.252 455 HG3 GLU 21 HG2 GLU 21 -2.020 -2.550 -4.605 456 H ASN 22 H ASN 22 -5.195 -5.315 -1.989 457 HA ASN 22 HA ASN 22 -7.327 -6.235 -3.619 458 HB2 ASN 22 HB3 ASN 22 -6.176 -7.353 -1.059 459 HB3 ASN 22 HB2 ASN 22 -7.370 -8.185 -2.046 460 HD21 ASN 22 HD21 ASN 22 -6.157 -7.187 -4.550 461 HD22 ASN 22 HD22 ASN 22 -4.730 -8.134 -4.771 462 H GLU 23 H GLU 23 -7.182 -5.097 -0.259 463 HA GLU 23 HA GLU 23 -9.866 -5.525 0.412 464 HB2 GLU 23 HB3 GLU 23 -7.654 -3.905 1.472 465 HB3 GLU 23 HB2 GLU 23 -9.252 -3.260 1.818 466 HG2 GLU 23 HG3 GLU 23 -8.528 -4.649 3.632 467 HG3 GLU 23 HG2 GLU 23 -9.883 -5.416 2.810 468 H VAL 24 H VAL 24 -8.284 -2.641 -0.931 469 HA VAL 24 HA VAL 24 -10.451 -0.939 -1.021 470 HB VAL 24 HB VAL 24 -8.156 -1.166 -2.972 471 HG11 VAL 24 HG11 VAL 24 -10.007 -0.027 -4.064 472 HG12 VAL 24 HG12 VAL 24 -8.725 1.118 -3.673 473 HG13 VAL 24 HG13 VAL 24 -10.180 1.053 -2.680 474 HG21 VAL 24 HG21 VAL 24 -8.680 0.559 -0.565 475 HG22 VAL 24 HG22 VAL 24 -7.398 0.878 -1.726 476 HG23 VAL 24 HG23 VAL 24 -7.386 -0.617 -0.791 477 H ALA 25 H ALA 25 -9.355 -3.196 -3.531 478 HA ALA 25 HA ALA 25 -11.367 -2.708 -5.406 479 HB1 ALA 25 HB1 ALA 25 -9.861 -5.269 -4.934 480 HB2 ALA 25 HB2 ALA 25 -9.299 -3.910 -5.905 481 HB3 ALA 25 HB3 ALA 25 -10.723 -4.822 -6.404 482 H ARG 26 H ARG 26 -11.258 -5.087 -2.761 483 HA ARG 26 HA ARG 26 -13.652 -6.405 -3.456 484 HB2 ARG 26 HB3 ARG 26 -12.113 -7.531 -2.028 485 HB3 ARG 26 HB2 ARG 26 -12.126 -6.215 -0.863 486 HG2 ARG 26 HG3 ARG 26 -14.287 -6.768 -0.110 487 HG3 ARG 26 HG2 ARG 26 -14.579 -7.830 -1.488 488 HD2 ARG 26 HD2 ARG 26 -14.103 -9.023 0.644 489 HD3 ARG 26 HD1 ARG 26 -13.014 -9.435 -0.674 490 HE ARG 26 HE ARG 26 -11.442 -7.784 0.437 491 HH11 ARG 26 HH11 ARG 26 -13.824 -9.610 2.240 492 HH12 ARG 26 HH12 ARG 26 -12.885 -9.639 3.695 493 HH21 ARG 26 HH21 ARG 26 -10.186 -7.842 2.356 494 HH22 ARG 26 HH22 ARG 26 -10.826 -8.642 3.762 495 H LEU 27 H LEU 27 -12.984 -3.782 -1.157 496 HA LEU 27 HA LEU 27 -15.620 -3.537 -0.203 497 HB2 LEU 27 HB3 LEU 27 -13.373 -1.535 -0.339 498 HB3 LEU 27 HB2 LEU 27 -14.884 -1.238 0.501 499 HG LEU 27 HG LEU 27 -13.058 -3.533 1.161 500 HD11 LEU 27 HD11 LEU 27 -12.329 -2.197 3.077 501 HD12 LEU 27 HD12 LEU 27 -13.227 -0.819 2.440 502 HD13 LEU 27 HD13 LEU 27 -11.860 -1.476 1.540 503 HD21 LEU 27 HD21 LEU 27 -15.349 -3.860 1.865 504 HD22 LEU 27 HD22 LEU 27 -15.368 -2.270 2.624 505 HD23 LEU 27 HD23 LEU 27 -14.331 -3.542 3.267 506 H LYS 28 H LYS 28 -14.057 -2.216 -3.065 507 HA LYS 28 HA LYS 28 -16.063 -0.334 -3.716 508 HB2 LYS 28 HB3 LYS 28 -14.034 -1.801 -5.407 509 HB3 LYS 28 HB2 LYS 28 -15.155 -0.635 -6.087 510 HG2 LYS 28 HG3 LYS 28 -14.213 1.113 -4.689 511 HG3 LYS 28 HG2 LYS 28 -13.114 -0.056 -3.951 512 HD2 LYS 28 HD3 LYS 28 -12.017 -0.435 -6.059 513 HD3 LYS 28 HD2 LYS 28 -13.204 0.584 -6.902 514 HE2 LYS 28 HE3 LYS 28 -12.421 2.527 -5.644 515 HE3 LYS 28 HE2 LYS 28 -11.258 1.520 -4.786 516 HZ1 LYS 28 HZ1 LYS 28 -11.289 2.008 -7.714 517 HZ2 LYS 28 HZ2 LYS 28 -10.172 1.047 -6.891 518 HZ3 LYS 28 HZ3 LYS 28 -10.219 2.713 -6.609 519 H LYS 29 H LYS 29 -15.492 -3.682 -4.723 520 HA LYS 29 HA LYS 29 -17.728 -4.075 -6.306 521 HB2 LYS 29 HB3 LYS 29 -15.950 -5.708 -6.182 522 HB3 LYS 29 HB2 LYS 29 -16.249 -5.972 -4.472 523 HG2 LYS 29 HG3 LYS 29 -18.461 -6.924 -5.053 524 HG3 LYS 29 HG2 LYS 29 -18.044 -6.765 -6.761 525 HD2 LYS 29 HD3 LYS 29 -16.099 -8.212 -6.417 526 HD3 LYS 29 HD2 LYS 29 -16.527 -8.378 -4.714 527 HE2 LYS 29 HE3 LYS 29 -18.636 -9.423 -5.338 528 HE3 LYS 29 HE2 LYS 29 -18.239 -9.228 -7.044 529 HZ1 LYS 29 HZ1 LYS 29 -16.720 -10.870 -5.094 530 HZ2 LYS 29 HZ2 LYS 29 -16.338 -10.679 -6.728 531 HZ3 LYS 29 HZ3 LYS 29 -17.767 -11.463 -6.282 532 H LEU 30 H LEU 30 -17.401 -4.290 -2.787 533 HA LEU 30 HA LEU 30 -19.966 -5.362 -2.282 534 HB2 LEU 30 HB3 LEU 30 -18.194 -3.700 -0.491 535 HB3 LEU 30 HB2 LEU 30 -19.606 -4.594 0.040 536 HG LEU 30 HG LEU 30 -17.060 -5.771 -1.075 537 HD11 LEU 30 HD11 LEU 30 -16.783 -6.688 1.157 538 HD12 LEU 30 HD12 LEU 30 -18.271 -5.901 1.681 539 HD13 LEU 30 HD13 LEU 30 -16.878 -4.929 1.214 540 HD21 LEU 30 HD21 LEU 30 -19.595 -7.123 -0.154 541 HD22 LEU 30 HD22 LEU 30 -18.076 -7.945 -0.511 542 HD23 LEU 30 HD23 LEU 30 -18.944 -7.103 -1.794 543 H VAL 31 H VAL 31 -18.794 -1.995 -1.911 544 HA VAL 31 HA VAL 31 -21.454 -1.000 -1.537 545 HB VAL 31 HB VAL 31 -19.335 -0.031 -0.555 546 HG11 VAL 31 HG11 VAL 31 -19.029 1.105 -3.327 547 HG12 VAL 31 HG12 VAL 31 -17.940 -0.026 -2.524 548 HG13 VAL 31 HG13 VAL 31 -18.117 1.618 -1.907 549 HG21 VAL 31 HG21 VAL 31 -21.179 1.836 -2.026 550 HG22 VAL 31 HG22 VAL 31 -20.121 2.285 -0.690 551 HG23 VAL 31 HG23 VAL 31 -21.441 1.145 -0.426 552 H GLY 32 H GLY 32 -20.156 -2.194 -4.251 553 HA2 GLY 32 HA3 GLY 32 -20.792 -0.003 -6.057 554 HA3 GLY 32 HA2 GLY 32 -20.043 -1.529 -6.492 555 H GLU 33 H GLU 33 -23.076 -0.783 -4.813 556 HA GLU 33 HA GLU 33 -24.534 -1.974 -7.061 557 HB2 GLU 33 HB3 GLU 33 -24.927 -2.571 -4.119 558 HB3 GLU 33 HB2 GLU 33 -26.124 -2.979 -5.338 559 HG2 GLU 33 HG3 GLU 33 -24.512 -4.446 -6.434 560 HG3 GLU 33 HG2 GLU 33 -23.296 -4.014 -5.231 Start of MODEL 12 1 H1 GLY 1 H1 GLY 1 27.201 1.389 -2.563 2 H2 GLY 1 H2 GLY 1 27.218 0.847 -4.162 3 H3 GLY 1 H3 GLY 1 27.834 -0.135 -2.934 4 HA2 GLY 1 HA2 GLY 1 25.673 -0.917 -3.622 5 HA3 GLY 1 HA3 GLY 1 25.648 -0.355 -1.959 6 H SER 2 H SER 2 23.709 -0.489 -4.399 7 HA SER 2 HA SER 2 22.936 2.263 -4.738 8 HB2 SER 2 HB3 SER 2 21.446 -0.240 -5.558 9 HB3 SER 2 HB2 SER 2 21.218 1.389 -6.197 10 HG SER 2 HG SER 2 22.583 -0.147 -7.444 11 H MET 3 H MET 3 22.743 2.467 -2.293 12 HA MET 3 HA MET 3 20.499 1.247 -1.012 13 HB2 MET 3 HB3 MET 3 22.260 3.559 -0.200 14 HB3 MET 3 HB2 MET 3 20.952 2.947 0.798 15 HG2 MET 3 HG3 MET 3 22.054 0.741 0.826 16 HG3 MET 3 HG2 MET 3 23.395 1.430 -0.087 17 HE1 MET 3 HE1 MET 3 22.257 2.727 4.198 18 HE2 MET 3 HE2 MET 3 21.379 1.513 3.268 19 HE3 MET 3 HE3 MET 3 21.323 3.207 2.783 20 H LYS 4 H LYS 4 21.137 4.451 -2.397 21 HA LYS 4 HA LYS 4 18.668 5.575 -1.647 22 HB2 LYS 4 HB3 LYS 4 20.504 6.295 -3.928 23 HB3 LYS 4 HB2 LYS 4 19.112 7.252 -3.441 24 HG2 LYS 4 HG3 LYS 4 20.152 7.440 -1.169 25 HG3 LYS 4 HG2 LYS 4 21.596 6.690 -1.846 26 HD2 LYS 4 HD3 LYS 4 22.166 8.869 -2.154 27 HD3 LYS 4 HD2 LYS 4 21.277 8.611 -3.653 28 HE2 LYS 4 HE3 LYS 4 20.195 9.849 -1.122 29 HE3 LYS 4 HE2 LYS 4 20.611 10.705 -2.602 30 HZ1 LYS 4 HZ1 LYS 4 18.877 9.239 -3.695 31 HZ2 LYS 4 HZ2 LYS 4 18.310 10.445 -2.662 32 HZ3 LYS 4 HZ3 LYS 4 18.360 8.841 -2.132 33 H GLN 5 H GLN 5 19.583 3.555 -4.354 34 HA GLN 5 HA GLN 5 17.307 3.859 -5.950 35 HB2 GLN 5 HB3 GLN 5 19.239 2.622 -6.740 36 HB3 GLN 5 HB2 GLN 5 19.032 1.421 -5.471 37 HG2 GLN 5 HG3 GLN 5 16.879 0.775 -6.462 38 HG3 GLN 5 HG2 GLN 5 17.143 1.943 -7.753 39 HE21 GLN 5 HE21 GLN 5 16.813 -0.964 -7.834 40 HE22 GLN 5 HE22 GLN 5 18.212 -1.569 -8.648 41 H LEU 6 H LEU 6 17.961 1.613 -3.278 42 HA LEU 6 HA LEU 6 15.332 0.488 -3.294 43 HB2 LEU 6 HB3 LEU 6 17.442 0.474 -1.128 44 HB3 LEU 6 HB2 LEU 6 15.956 -0.451 -1.079 45 HG LEU 6 HG LEU 6 18.159 -0.808 -3.117 46 HD11 LEU 6 HD11 LEU 6 18.814 -1.559 -0.895 47 HD12 LEU 6 HD12 LEU 6 18.564 -2.926 -1.980 48 HD13 LEU 6 HD13 LEU 6 17.340 -2.520 -0.777 49 HD21 LEU 6 HD21 LEU 6 16.896 -2.822 -3.758 50 HD22 LEU 6 HD22 LEU 6 15.994 -1.339 -4.067 51 HD23 LEU 6 HD23 LEU 6 15.599 -2.336 -2.667 52 H GLU 7 H GLU 7 16.863 3.189 -1.748 53 HA GLU 7 HA GLU 7 14.994 3.804 0.222 54 HB2 GLU 7 HB3 GLU 7 17.150 4.880 0.134 55 HB3 GLU 7 HB2 GLU 7 16.801 5.545 -1.452 56 HG2 GLU 7 HG3 GLU 7 15.030 6.927 -0.449 57 HG3 GLU 7 HG2 GLU 7 15.515 6.326 1.156 58 H ASP 8 H ASP 8 15.121 4.727 -3.210 59 HA ASP 8 HA ASP 8 12.828 6.347 -3.248 60 HB2 ASP 8 HB3 ASP 8 14.191 4.704 -5.364 61 HB3 ASP 8 HB2 ASP 8 12.683 5.540 -5.712 62 H LYS 9 H LYS 9 13.206 2.892 -3.852 63 HA LYS 9 HA LYS 9 10.561 2.180 -4.351 64 HB2 LYS 9 HB3 LYS 9 12.261 0.446 -2.568 65 HB3 LYS 9 HB2 LYS 9 11.073 -0.032 -3.770 66 HG2 LYS 9 HG3 LYS 9 13.727 1.230 -4.420 67 HG3 LYS 9 HG2 LYS 9 13.361 -0.495 -4.514 68 HD2 LYS 9 HD3 LYS 9 11.682 -0.080 -6.208 69 HD3 LYS 9 HD2 LYS 9 11.923 1.660 -6.060 70 HE2 LYS 9 HE3 LYS 9 14.211 1.421 -6.858 71 HE3 LYS 9 HE2 LYS 9 13.999 -0.323 -6.970 72 HZ1 LYS 9 HZ1 LYS 9 13.743 0.814 -9.115 73 HZ2 LYS 9 HZ2 LYS 9 12.420 1.669 -8.500 74 HZ3 LYS 9 HZ3 LYS 9 12.339 -0.011 -8.657 75 H VAL 10 H VAL 10 12.180 2.388 -1.217 76 HA VAL 10 HA VAL 10 10.050 1.566 0.420 77 HB VAL 10 HB VAL 10 12.260 3.519 1.103 78 HG11 VAL 10 HG11 VAL 10 10.473 1.864 2.885 79 HG12 VAL 10 HG12 VAL 10 10.438 3.618 2.709 80 HG13 VAL 10 HG13 VAL 10 11.844 2.832 3.429 81 HG21 VAL 10 HG21 VAL 10 12.122 0.522 1.396 82 HG22 VAL 10 HG22 VAL 10 13.388 1.547 2.069 83 HG23 VAL 10 HG23 VAL 10 13.187 1.428 0.321 84 H GLU 11 H GLU 11 11.026 4.591 -0.933 85 HA GLU 11 HA GLU 11 9.153 6.252 0.442 86 HB2 GLU 11 HB3 GLU 11 11.297 7.031 -0.594 87 HB3 GLU 11 HB2 GLU 11 10.568 6.797 -2.175 88 HG2 GLU 11 HG3 GLU 11 10.461 9.115 -1.597 89 HG3 GLU 11 HG2 GLU 11 8.831 8.445 -1.577 90 H GLU 12 H GLU 12 9.250 5.017 -2.938 91 HA GLU 12 HA GLU 12 6.822 6.111 -3.794 92 HB2 GLU 12 HB3 GLU 12 8.091 3.493 -4.615 93 HB3 GLU 12 HB2 GLU 12 6.808 4.312 -5.493 94 HG2 GLU 12 HG3 GLU 12 8.296 6.208 -5.895 95 HG3 GLU 12 HG2 GLU 12 9.583 5.377 -5.022 96 H LEU 13 H LEU 13 7.376 2.774 -2.774 97 HA LEU 13 HA LEU 13 4.809 1.850 -2.605 98 HB2 LEU 13 HB3 LEU 13 7.106 1.199 -0.763 99 HB3 LEU 13 HB2 LEU 13 5.637 0.254 -0.906 100 HG LEU 13 HG LEU 13 7.597 0.713 -3.154 101 HD11 LEU 13 HD11 LEU 13 7.202 -1.682 -1.367 102 HD12 LEU 13 HD12 LEU 13 8.608 -0.616 -1.393 103 HD13 LEU 13 HD13 LEU 13 8.238 -1.624 -2.793 104 HD21 LEU 13 HD21 LEU 13 5.329 0.307 -3.930 105 HD22 LEU 13 HD22 LEU 13 5.218 -1.124 -2.905 106 HD23 LEU 13 HD23 LEU 13 6.353 -1.091 -4.255 107 H LEU 14 H LEU 14 6.548 3.674 -0.143 108 HA LEU 14 HA LEU 14 4.827 3.489 2.007 109 HB2 LEU 14 HB3 LEU 14 7.087 5.022 1.492 110 HB3 LEU 14 HB2 LEU 14 5.821 6.223 1.632 111 HG LEU 14 HG LEU 14 6.898 5.957 3.775 112 HD11 LEU 14 HD11 LEU 14 4.490 6.319 3.854 113 HD12 LEU 14 HD12 LEU 14 5.032 5.320 5.200 114 HD13 LEU 14 HD13 LEU 14 4.218 4.578 3.824 115 HD21 LEU 14 HD21 LEU 14 6.250 3.027 3.550 116 HD22 LEU 14 HD22 LEU 14 6.986 3.828 4.939 117 HD23 LEU 14 HD23 LEU 14 7.850 3.757 3.400 118 H SER 15 H SER 15 4.825 6.034 -0.489 119 HA SER 15 HA SER 15 2.597 7.442 0.349 120 HB2 SER 15 HB3 SER 15 4.205 8.122 -1.453 121 HB3 SER 15 HB2 SER 15 3.406 6.983 -2.534 122 HG SER 15 HG SER 15 2.110 9.137 -1.205 123 H LYS 16 H LYS 16 2.738 4.715 -1.916 124 HA LYS 16 HA LYS 16 -0.068 4.644 -2.384 125 HB2 LYS 16 HB3 LYS 16 1.776 3.778 -3.893 126 HB3 LYS 16 HB2 LYS 16 1.957 2.428 -2.792 127 HG2 LYS 16 HG3 LYS 16 -0.661 2.991 -4.163 128 HG3 LYS 16 HG2 LYS 16 0.621 2.070 -4.938 129 HD2 LYS 16 HD3 LYS 16 0.605 0.575 -2.900 130 HD3 LYS 16 HD2 LYS 16 -0.883 1.392 -2.427 131 HE2 LYS 16 HE3 LYS 16 -1.423 -0.643 -3.598 132 HE3 LYS 16 HE2 LYS 16 -1.887 0.741 -4.586 133 HZ1 LYS 16 HZ1 LYS 16 0.147 0.454 -5.868 134 HZ2 LYS 16 HZ2 LYS 16 -0.796 -0.953 -5.909 135 HZ3 LYS 16 HZ3 LYS 16 0.582 -0.881 -4.921 136 H ASN 17 H ASN 17 2.131 2.904 -0.263 137 HA ASN 17 HA ASN 17 0.519 0.980 0.899 138 HB2 ASN 17 HB3 ASN 17 2.982 1.407 1.301 139 HB3 ASN 17 HB2 ASN 17 2.508 2.736 2.344 140 HD21 ASN 17 HD21 ASN 17 2.855 -0.694 2.082 141 HD22 ASN 17 HD22 ASN 17 2.460 -1.045 3.727 142 H TYR 18 H TYR 18 0.976 4.347 1.867 143 HA TYR 18 HA TYR 18 -0.822 4.249 4.059 144 HB2 TYR 18 HB3 TYR 18 0.827 5.820 4.345 145 HB3 TYR 18 HB2 TYR 18 0.849 6.267 2.647 146 HD1 TYR 18 HD1 TYR 18 -0.521 8.017 1.814 147 HD2 TYR 18 HD2 TYR 18 -0.821 6.816 5.879 148 HE1 TYR 18 HE1 TYR 18 -1.777 10.053 2.310 149 HE2 TYR 18 HE2 TYR 18 -2.090 8.854 6.390 150 HH TYR 18 HH TYR 18 -2.294 11.196 5.402 151 H HIS 19 H HIS 19 -1.060 5.170 0.683 152 HA HIS 19 HA HIS 19 -3.458 6.645 0.869 153 HB2 HIS 19 HB3 HIS 19 -1.722 6.502 -1.062 154 HB3 HIS 19 HB2 HIS 19 -2.678 5.127 -1.599 155 HD1 HIS 19 HD1 HIS 19 -5.116 5.630 -2.456 156 HD2 HIS 19 HD2 HIS 19 -2.858 8.992 -1.485 157 HE1 HIS 19 HE1 HIS 19 -6.321 7.586 -3.477 158 HE2 HIS 19 HE2 HIS 19 -4.849 9.575 -3.020 159 H LEU 20 H LEU 20 -2.883 3.266 -0.148 160 HA LEU 20 HA LEU 20 -5.654 2.748 -0.541 161 HB2 LEU 20 HB3 LEU 20 -3.362 0.801 -0.270 162 HB3 LEU 20 HB2 LEU 20 -5.012 0.325 -0.547 163 HG LEU 20 HG LEU 20 -3.557 0.366 -2.603 164 HD11 LEU 20 HD11 LEU 20 -5.905 2.229 -2.806 165 HD12 LEU 20 HD12 LEU 20 -6.078 0.495 -2.564 166 HD13 LEU 20 HD13 LEU 20 -5.292 1.103 -4.019 167 HD21 LEU 20 HD21 LEU 20 -3.892 3.353 -2.412 168 HD22 LEU 20 HD22 LEU 20 -3.065 2.442 -3.677 169 HD23 LEU 20 HD23 LEU 20 -2.393 2.503 -2.047 170 H GLU 21 H GLU 21 -3.546 2.535 2.215 171 HA GLU 21 HA GLU 21 -5.178 0.907 3.823 172 HB2 GLU 21 HB3 GLU 21 -2.814 1.574 4.325 173 HB3 GLU 21 HB2 GLU 21 -3.423 3.158 4.791 174 HG2 GLU 21 HG3 GLU 21 -4.884 1.973 6.462 175 HG3 GLU 21 HG2 GLU 21 -3.981 0.509 6.090 176 H ASN 22 H ASN 22 -5.189 4.367 3.204 177 HA ASN 22 HA ASN 22 -7.254 4.948 5.097 178 HB2 ASN 22 HB3 ASN 22 -6.267 6.538 2.720 179 HB3 ASN 22 HB2 ASN 22 -7.387 7.141 3.934 180 HD21 ASN 22 HD21 ASN 22 -5.948 5.711 6.093 181 HD22 ASN 22 HD22 ASN 22 -4.518 6.637 6.373 182 H GLU 23 H GLU 23 -7.132 4.375 1.617 183 HA GLU 23 HA GLU 23 -9.791 4.964 1.004 184 HB2 GLU 23 HB3 GLU 23 -7.900 2.995 -0.281 185 HB3 GLU 23 HB2 GLU 23 -9.443 3.475 -0.970 186 HG2 GLU 23 HG3 GLU 23 -8.658 5.807 -1.029 187 HG3 GLU 23 HG2 GLU 23 -7.093 5.269 -0.422 188 H VAL 24 H VAL 24 -8.306 1.905 2.012 189 HA VAL 24 HA VAL 24 -10.551 0.275 1.847 190 HB VAL 24 HB VAL 24 -8.230 0.167 3.777 191 HG11 VAL 24 HG11 VAL 24 -10.388 -1.897 3.333 192 HG12 VAL 24 HG12 VAL 24 -10.141 -0.955 4.802 193 HG13 VAL 24 HG13 VAL 24 -8.926 -2.127 4.292 194 HG21 VAL 24 HG21 VAL 24 -8.914 -1.383 1.288 195 HG22 VAL 24 HG22 VAL 24 -7.555 -1.731 2.348 196 HG23 VAL 24 HG23 VAL 24 -7.619 -0.201 1.473 197 H ALA 25 H ALA 25 -9.360 2.183 4.598 198 HA ALA 25 HA ALA 25 -11.338 1.535 6.443 199 HB1 ALA 25 HB1 ALA 25 -9.832 4.131 6.208 200 HB2 ALA 25 HB2 ALA 25 -9.257 2.675 7.019 201 HB3 ALA 25 HB3 ALA 25 -10.665 3.535 7.642 202 H ARG 26 H ARG 26 -11.329 4.089 3.978 203 HA ARG 26 HA ARG 26 -13.702 5.374 4.813 204 HB2 ARG 26 HB3 ARG 26 -12.556 5.176 2.020 205 HB3 ARG 26 HB2 ARG 26 -13.759 6.338 2.558 206 HG2 ARG 26 HG3 ARG 26 -12.109 7.271 4.132 207 HG3 ARG 26 HG2 ARG 26 -10.909 6.145 3.490 208 HD2 ARG 26 HD2 ARG 26 -10.688 8.350 2.461 209 HD3 ARG 26 HD1 ARG 26 -11.159 7.136 1.273 210 HE ARG 26 HE ARG 26 -13.512 8.247 2.183 211 HH11 ARG 26 HH11 ARG 26 -10.633 9.387 0.547 212 HH12 ARG 26 HH12 ARG 26 -11.456 10.685 -0.257 213 HH21 ARG 26 HH21 ARG 26 -14.594 9.937 1.111 214 HH22 ARG 26 HH22 ARG 26 -13.708 11.001 0.066 215 H LEU 27 H LEU 27 -13.110 2.987 2.260 216 HA LEU 27 HA LEU 27 -15.792 2.681 1.486 217 HB2 LEU 27 HB3 LEU 27 -13.521 0.707 1.275 218 HB3 LEU 27 HB2 LEU 27 -15.038 0.597 0.399 219 HG LEU 27 HG LEU 27 -13.056 2.846 0.107 220 HD11 LEU 27 HD11 LEU 27 -13.584 0.489 -1.687 221 HD12 LEU 27 HD12 LEU 27 -12.139 0.751 -0.711 222 HD13 LEU 27 HD13 LEU 27 -12.511 1.843 -2.042 223 HD21 LEU 27 HD21 LEU 27 -15.309 3.547 -0.402 224 HD22 LEU 27 HD22 LEU 27 -15.546 2.135 -1.430 225 HD23 LEU 27 HD23 LEU 27 -14.392 3.383 -1.897 226 H LYS 28 H LYS 28 -14.049 1.345 4.171 227 HA LYS 28 HA LYS 28 -15.746 -0.862 4.684 228 HB2 LYS 28 HB3 LYS 28 -13.736 0.665 6.303 229 HB3 LYS 28 HB2 LYS 28 -14.778 -0.510 7.089 230 HG2 LYS 28 HG3 LYS 28 -13.046 -1.173 4.726 231 HG3 LYS 28 HG2 LYS 28 -12.514 -1.340 6.401 232 HD2 LYS 28 HD3 LYS 28 -14.422 -2.855 6.825 233 HD3 LYS 28 HD2 LYS 28 -14.863 -2.734 5.106 234 HE2 LYS 28 HE3 LYS 28 -12.754 -3.723 4.464 235 HE3 LYS 28 HE2 LYS 28 -12.210 -3.738 6.140 236 HZ1 LYS 28 HZ1 LYS 28 -14.532 -5.258 5.089 237 HZ2 LYS 28 HZ2 LYS 28 -13.944 -5.306 6.670 238 HZ3 LYS 28 HZ3 LYS 28 -13.004 -5.910 5.401 239 H LYS 29 H LYS 29 -15.570 2.421 6.069 240 HA LYS 29 HA LYS 29 -17.837 2.206 7.708 241 HB2 LYS 29 HB3 LYS 29 -16.723 4.670 6.340 242 HB3 LYS 29 HB2 LYS 29 -17.823 4.668 7.710 243 HG2 LYS 29 HG3 LYS 29 -16.164 3.799 9.163 244 HG3 LYS 29 HG2 LYS 29 -15.097 3.407 7.810 245 HD2 LYS 29 HD3 LYS 29 -14.823 5.780 7.332 246 HD3 LYS 29 HD2 LYS 29 -15.921 6.181 8.655 247 HE2 LYS 29 HE3 LYS 29 -13.583 6.442 9.323 248 HE3 LYS 29 HE2 LYS 29 -14.384 5.177 10.253 249 HZ1 LYS 29 HZ1 LYS 29 -12.165 4.519 9.535 250 HZ2 LYS 29 HZ2 LYS 29 -12.609 4.727 7.916 251 HZ3 LYS 29 HZ3 LYS 29 -13.346 3.521 8.846 252 H LEU 30 H LEU 30 -17.478 3.062 4.315 253 HA LEU 30 HA LEU 30 -20.121 3.965 3.908 254 HB2 LEU 30 HB3 LEU 30 -18.202 2.752 1.921 255 HB3 LEU 30 HB2 LEU 30 -19.662 3.629 1.516 256 HG LEU 30 HG LEU 30 -17.232 4.784 2.883 257 HD11 LEU 30 HD11 LEU 30 -16.908 4.305 0.504 258 HD12 LEU 30 HD12 LEU 30 -16.948 6.039 0.820 259 HD13 LEU 30 HD13 LEU 30 -18.354 5.236 0.122 260 HD21 LEU 30 HD21 LEU 30 -18.373 6.935 2.637 261 HD22 LEU 30 HD22 LEU 30 -19.277 5.839 3.680 262 HD23 LEU 30 HD23 LEU 30 -19.801 6.106 2.018 263 H VAL 31 H VAL 31 -18.646 0.816 3.024 264 HA VAL 31 HA VAL 31 -21.249 -0.327 2.568 265 HB VAL 31 HB VAL 31 -19.127 -0.878 1.275 266 HG11 VAL 31 HG11 VAL 31 -17.598 -1.211 3.112 267 HG12 VAL 31 HG12 VAL 31 -17.734 -2.696 2.170 268 HG13 VAL 31 HG13 VAL 31 -18.571 -2.552 3.715 269 HG21 VAL 31 HG21 VAL 31 -20.789 -3.115 2.403 270 HG22 VAL 31 HG22 VAL 31 -19.766 -3.233 0.974 271 HG23 VAL 31 HG23 VAL 31 -21.149 -2.141 0.978 272 H GLY 32 H GLY 32 -20.181 0.586 5.322 273 HA2 GLY 32 HA3 GLY 32 -20.117 -1.832 6.887 274 HA3 GLY 32 HA2 GLY 32 -20.119 -0.186 7.503 275 H GLU 33 H GLU 33 -22.360 -2.074 5.515 276 HA GLU 33 HA GLU 33 -24.436 -1.722 7.551 277 HB2 GLU 33 HB3 GLU 33 -24.702 0.060 5.817 278 HB3 GLU 33 HB2 GLU 33 -24.832 -1.195 4.593 279 HG2 GLU 33 HG3 GLU 33 -26.826 -2.068 5.829 280 HG3 GLU 33 HG2 GLU 33 -26.740 -0.629 6.844 281 H1 GLY 1 H1 GLY 1 27.264 -1.529 2.813 282 H2 GLY 1 H2 GLY 1 27.292 -0.981 4.410 283 H3 GLY 1 H3 GLY 1 27.885 0.002 3.170 284 HA2 GLY 1 HA2 GLY 1 25.720 0.765 3.873 285 HA3 GLY 1 HA3 GLY 1 25.689 0.194 2.211 286 H SER 2 H SER 2 23.777 0.311 4.686 287 HA SER 2 HA SER 2 23.042 -2.447 5.046 288 HB2 SER 2 HB3 SER 2 21.542 0.044 5.882 289 HB3 SER 2 HB2 SER 2 21.330 -1.584 6.523 290 HG SER 2 HG SER 2 22.713 -0.015 7.735 291 H MET 3 H MET 3 22.820 -2.656 2.604 292 HA MET 3 HA MET 3 20.541 -1.471 1.346 293 HB2 MET 3 HB3 MET 3 22.320 -3.769 0.532 294 HB3 MET 3 HB2 MET 3 20.991 -3.180 -0.456 295 HG2 MET 3 HG3 MET 3 22.063 -0.959 -0.508 296 HG3 MET 3 HG2 MET 3 23.425 -1.627 0.389 297 HE1 MET 3 HE1 MET 3 22.243 -2.954 -3.877 298 HE2 MET 3 HE2 MET 3 21.366 -1.743 -2.942 299 HE3 MET 3 HE3 MET 3 21.329 -3.436 -2.447 300 H LYS 4 H LYS 4 21.234 -4.665 2.723 301 HA LYS 4 HA LYS 4 18.770 -5.821 2.027 302 HB2 LYS 4 HB3 LYS 4 20.648 -6.504 4.284 303 HB3 LYS 4 HB2 LYS 4 19.264 -7.482 3.820 304 HG2 LYS 4 HG3 LYS 4 20.273 -7.664 1.534 305 HG3 LYS 4 HG2 LYS 4 21.718 -6.890 2.187 306 HD2 LYS 4 HD3 LYS 4 22.319 -9.062 2.494 307 HD3 LYS 4 HD2 LYS 4 21.450 -8.808 4.007 308 HE2 LYS 4 HE3 LYS 4 20.344 -10.068 1.498 309 HE3 LYS 4 HE2 LYS 4 20.797 -10.915 2.973 310 HZ1 LYS 4 HZ1 LYS 4 19.065 -9.467 4.091 311 HZ2 LYS 4 HZ2 LYS 4 18.498 -10.683 3.070 312 HZ3 LYS 4 HZ3 LYS 4 18.517 -9.081 2.534 313 H GLN 5 H GLN 5 19.697 -3.771 4.704 314 HA GLN 5 HA GLN 5 17.452 -4.105 6.337 315 HB2 GLN 5 HB3 GLN 5 19.377 -2.838 7.099 316 HB3 GLN 5 HB2 GLN 5 19.140 -1.647 5.828 317 HG2 GLN 5 HG3 GLN 5 16.992 -1.018 6.840 318 HG3 GLN 5 HG2 GLN 5 17.282 -2.178 8.136 319 HE21 GLN 5 HE21 GLN 5 16.924 0.724 8.221 320 HE22 GLN 5 HE22 GLN 5 18.334 1.346 9.003 321 H LEU 6 H LEU 6 18.040 -1.860 3.654 322 HA LEU 6 HA LEU 6 15.400 -0.768 3.703 323 HB2 LEU 6 HB3 LEU 6 17.478 -0.737 1.506 324 HB3 LEU 6 HB2 LEU 6 15.980 0.168 1.475 325 HG LEU 6 HG LEU 6 18.206 0.564 3.480 326 HD11 LEU 6 HD11 LEU 6 18.820 1.309 1.244 327 HD12 LEU 6 HD12 LEU 6 18.572 2.679 2.327 328 HD13 LEU 6 HD13 LEU 6 17.334 2.254 1.144 329 HD21 LEU 6 HD21 LEU 6 16.928 2.564 4.129 330 HD22 LEU 6 HD22 LEU 6 16.049 1.071 4.456 331 HD23 LEU 6 HD23 LEU 6 15.621 2.057 3.058 332 H GLU 7 H GLU 7 16.937 -3.457 2.145 333 HA GLU 7 HA GLU 7 15.050 -4.106 0.202 334 HB2 GLU 7 HB3 GLU 7 17.219 -5.158 0.265 335 HB3 GLU 7 HB2 GLU 7 16.904 -5.814 1.861 336 HG2 GLU 7 HG3 GLU 7 15.128 -7.223 0.896 337 HG3 GLU 7 HG2 GLU 7 15.586 -6.630 -0.718 338 H ASP 8 H ASP 8 15.235 -5.007 3.636 339 HA ASP 8 HA ASP 8 12.966 -6.659 3.713 340 HB2 ASP 8 HB3 ASP 8 14.345 -4.996 5.805 341 HB3 ASP 8 HB2 ASP 8 12.850 -5.845 6.177 342 H LYS 9 H LYS 9 13.312 -3.197 4.304 343 HA LYS 9 HA LYS 9 10.667 -2.513 4.835 344 HB2 LYS 9 HB3 LYS 9 12.319 -0.766 3.021 345 HB3 LYS 9 HB2 LYS 9 11.143 -0.297 4.240 346 HG2 LYS 9 HG3 LYS 9 13.821 -1.526 4.853 347 HG3 LYS 9 HG2 LYS 9 13.435 0.194 4.947 348 HD2 LYS 9 HD3 LYS 9 11.785 -0.237 6.664 349 HD3 LYS 9 HD2 LYS 9 12.048 -1.975 6.518 350 HE2 LYS 9 HE3 LYS 9 14.343 -1.705 7.285 351 HE3 LYS 9 HE2 LYS 9 14.114 0.038 7.391 352 HZ1 LYS 9 HZ1 LYS 9 13.892 -1.086 9.543 353 HZ2 LYS 9 HZ2 LYS 9 12.577 -1.962 8.947 354 HZ3 LYS 9 HZ3 LYS 9 12.475 -0.281 9.096 355 H VAL 10 H VAL 10 12.240 -2.721 1.677 356 HA VAL 10 HA VAL 10 10.075 -1.921 0.070 357 HB VAL 10 HB VAL 10 12.298 -3.853 -0.637 358 HG11 VAL 10 HG11 VAL 10 10.468 -2.225 -2.398 359 HG12 VAL 10 HG12 VAL 10 10.455 -3.979 -2.216 360 HG13 VAL 10 HG13 VAL 10 11.841 -3.178 -2.956 361 HG21 VAL 10 HG21 VAL 10 12.123 -0.859 -0.945 362 HG22 VAL 10 HG22 VAL 10 13.391 -1.876 -1.629 363 HG23 VAL 10 HG23 VAL 10 13.211 -1.748 0.121 364 H GLU 11 H GLU 11 11.108 -4.930 1.423 365 HA GLU 11 HA GLU 11 9.240 -6.620 0.079 366 HB2 GLU 11 HB3 GLU 11 11.409 -7.363 1.090 367 HB3 GLU 11 HB2 GLU 11 10.695 -7.137 2.679 368 HG2 GLU 11 HG3 GLU 11 10.614 -9.452 2.117 369 HG3 GLU 11 HG2 GLU 11 8.972 -8.808 2.093 370 H GLU 12 H GLU 12 9.364 -5.377 3.455 371 HA GLU 12 HA GLU 12 6.959 -6.490 4.345 372 HB2 GLU 12 HB3 GLU 12 8.204 -3.851 5.136 373 HB3 GLU 12 HB2 GLU 12 6.945 -4.681 6.035 374 HG2 GLU 12 HG3 GLU 12 8.460 -6.554 6.433 375 HG3 GLU 12 HG2 GLU 12 9.723 -5.717 5.530 376 H LEU 13 H LEU 13 7.460 -3.155 3.304 377 HA LEU 13 HA LEU 13 4.881 -2.259 3.167 378 HB2 LEU 13 HB3 LEU 13 7.147 -1.590 1.294 379 HB3 LEU 13 HB2 LEU 13 5.669 -0.660 1.452 380 HG LEU 13 HG LEU 13 7.667 -1.088 3.676 381 HD11 LEU 13 HD11 LEU 13 7.215 1.293 1.884 382 HD12 LEU 13 HD12 LEU 13 8.633 0.245 1.895 383 HD13 LEU 13 HD13 LEU 13 8.272 1.255 3.295 384 HD21 LEU 13 HD21 LEU 13 5.403 -0.707 4.485 385 HD22 LEU 13 HD22 LEU 13 5.261 0.719 3.458 386 HD23 LEU 13 HD23 LEU 13 6.416 0.704 4.791 387 H LEU 14 H LEU 14 6.611 -4.071 0.689 388 HA LEU 14 HA LEU 14 4.857 -3.915 -1.436 389 HB2 LEU 14 HB3 LEU 14 7.143 -5.418 -0.951 390 HB3 LEU 14 HB2 LEU 14 5.892 -6.636 -1.064 391 HG LEU 14 HG LEU 14 6.933 -6.370 -3.224 392 HD11 LEU 14 HD11 LEU 14 4.528 -6.763 -3.261 393 HD12 LEU 14 HD12 LEU 14 5.038 -5.767 -4.624 394 HD13 LEU 14 HD13 LEU 14 4.235 -5.023 -3.242 395 HD21 LEU 14 HD21 LEU 14 6.249 -3.448 -3.001 396 HD22 LEU 14 HD22 LEU 14 6.976 -4.243 -4.398 397 HD23 LEU 14 HD23 LEU 14 7.860 -4.157 -2.871 398 H SER 15 H SER 15 4.917 -6.440 1.078 399 HA SER 15 HA SER 15 2.698 -7.880 0.269 400 HB2 SER 15 HB3 SER 15 4.330 -8.553 2.046 401 HB3 SER 15 HB2 SER 15 3.553 -7.407 3.135 402 HG SER 15 HG SER 15 2.260 -9.591 1.856 403 H LYS 16 H LYS 16 2.840 -5.146 2.519 404 HA LYS 16 HA LYS 16 0.040 -5.111 3.031 405 HB2 LYS 16 HB3 LYS 16 1.895 -4.221 4.512 406 HB3 LYS 16 HB2 LYS 16 2.047 -2.872 3.405 407 HG2 LYS 16 HG3 LYS 16 -0.548 -3.460 4.812 408 HG3 LYS 16 HG2 LYS 16 0.733 -2.520 5.566 409 HD2 LYS 16 HD3 LYS 16 0.669 -1.036 3.519 410 HD3 LYS 16 HD2 LYS 16 -0.816 -1.873 3.073 411 HE2 LYS 16 HE3 LYS 16 -1.361 0.163 4.246 412 HE3 LYS 16 HE2 LYS 16 -1.795 -1.223 5.244 413 HZ1 LYS 16 HZ1 LYS 16 0.254 -0.910 6.496 414 HZ2 LYS 16 HZ2 LYS 16 -0.702 0.487 6.549 415 HZ3 LYS 16 HZ3 LYS 16 0.660 0.426 5.539 416 H ASN 17 H ASN 17 2.189 -3.352 0.867 417 HA ASN 17 HA ASN 17 0.531 -1.456 -0.279 418 HB2 ASN 17 HB3 ASN 17 2.994 -1.853 -0.718 419 HB3 ASN 17 HB2 ASN 17 2.521 -3.188 -1.752 420 HD21 ASN 17 HD21 ASN 17 2.827 0.246 -1.495 421 HD22 ASN 17 HD22 ASN 17 2.408 0.596 -3.134 422 H TYR 18 H TYR 18 1.022 -4.820 -1.248 423 HA TYR 18 HA TYR 18 -0.815 -4.757 -3.408 424 HB2 TYR 18 HB3 TYR 18 0.850 -6.308 -3.710 425 HB3 TYR 18 HB2 TYR 18 0.899 -6.747 -2.011 426 HD1 TYR 18 HD1 TYR 18 -0.441 -8.501 -1.149 427 HD2 TYR 18 HD2 TYR 18 -0.806 -7.335 -5.216 428 HE1 TYR 18 HE1 TYR 18 -1.678 -10.555 -1.613 429 HE2 TYR 18 HE2 TYR 18 -2.058 -9.392 -5.697 430 HH TYR 18 HH TYR 18 -2.231 -11.715 -4.705 431 H HIS 19 H HIS 19 -0.989 -5.670 -0.026 432 HA HIS 19 HA HIS 19 -3.372 -7.174 -0.166 433 HB2 HIS 19 HB3 HIS 19 -1.608 -6.995 1.737 434 HB3 HIS 19 HB2 HIS 19 -2.574 -5.629 2.283 435 HD1 HIS 19 HD1 HIS 19 -4.997 -6.161 3.171 436 HD2 HIS 19 HD2 HIS 19 -2.697 -9.494 2.196 437 HE1 HIS 19 HE1 HIS 19 -6.159 -8.129 4.222 438 HE2 HIS 19 HE2 HIS 19 -4.675 -10.103 3.740 439 H LEU 20 H LEU 20 -2.824 -3.778 0.823 440 HA LEU 20 HA LEU 20 -5.596 -3.293 1.255 441 HB2 LEU 20 HB3 LEU 20 -3.332 -1.317 0.943 442 HB3 LEU 20 HB2 LEU 20 -4.985 -0.861 1.242 443 HG LEU 20 HG LEU 20 -3.501 -0.877 3.276 444 HD11 LEU 20 HD11 LEU 20 -5.818 -2.771 3.519 445 HD12 LEU 20 HD12 LEU 20 -6.021 -1.042 3.270 446 HD13 LEU 20 HD13 LEU 20 -5.206 -1.630 4.717 447 HD21 LEU 20 HD21 LEU 20 -3.797 -3.868 3.104 448 HD22 LEU 20 HD22 LEU 20 -2.965 -2.941 4.352 449 HD23 LEU 20 HD23 LEU 20 -2.315 -3.001 2.715 450 H GLU 21 H GLU 21 -3.530 -3.062 -1.531 451 HA GLU 21 HA GLU 21 -5.202 -1.460 -3.124 452 HB2 GLU 21 HB3 GLU 21 -2.836 -2.100 -3.653 453 HB3 GLU 21 HB2 GLU 21 -3.430 -3.692 -4.111 454 HG2 GLU 21 HG3 GLU 21 -4.925 -2.519 -5.765 455 HG3 GLU 21 HG2 GLU 21 -4.025 -1.050 -5.406 456 H ASN 22 H ASN 22 -5.163 -4.916 -2.485 457 HA ASN 22 HA ASN 22 -7.248 -5.534 -4.347 458 HB2 ASN 22 HB3 ASN 22 -6.207 -7.104 -1.979 459 HB3 ASN 22 HB2 ASN 22 -7.339 -7.722 -3.174 460 HD21 ASN 22 HD21 ASN 22 -5.950 -6.299 -5.366 461 HD22 ASN 22 HD22 ASN 22 -4.518 -7.214 -5.663 462 H GLU 23 H GLU 23 -7.077 -4.943 -0.868 463 HA GLU 23 HA GLU 23 -9.720 -5.569 -0.215 464 HB2 GLU 23 HB3 GLU 23 -7.841 -3.568 1.043 465 HB3 GLU 23 HB2 GLU 23 -9.371 -4.066 1.751 466 HG2 GLU 23 HG3 GLU 23 -8.554 -6.382 1.829 467 HG3 GLU 23 HG2 GLU 23 -7.006 -5.836 1.185 468 H VAL 24 H VAL 24 -8.295 -2.489 -1.258 469 HA VAL 24 HA VAL 24 -10.559 -0.888 -1.070 470 HB VAL 24 HB VAL 24 -8.268 -0.764 -3.033 471 HG11 VAL 24 HG11 VAL 24 -10.443 1.278 -2.569 472 HG12 VAL 24 HG12 VAL 24 -10.204 0.334 -4.038 473 HG13 VAL 24 HG13 VAL 24 -8.998 1.523 -3.548 474 HG21 VAL 24 HG21 VAL 24 -8.936 0.787 -0.539 475 HG22 VAL 24 HG22 VAL 24 -7.596 1.150 -1.619 476 HG23 VAL 24 HG23 VAL 24 -7.628 -0.378 -0.741 477 H ALA 25 H ALA 25 -9.383 -2.791 -3.833 478 HA ALA 25 HA ALA 25 -11.394 -2.180 -5.651 479 HB1 ALA 25 HB1 ALA 25 -9.859 -4.760 -5.425 480 HB2 ALA 25 HB2 ALA 25 -9.310 -3.302 -6.250 481 HB3 ALA 25 HB3 ALA 25 -10.717 -4.178 -6.851 482 H ARG 26 H ARG 26 -11.320 -4.719 -3.179 483 HA ARG 26 HA ARG 26 -13.687 -6.034 -3.970 484 HB2 ARG 26 HB3 ARG 26 -12.503 -5.815 -1.198 485 HB3 ARG 26 HB2 ARG 26 -13.701 -6.990 -1.714 486 HG2 ARG 26 HG3 ARG 26 -12.062 -7.910 -3.311 487 HG3 ARG 26 HG2 ARG 26 -10.867 -6.771 -2.684 488 HD2 ARG 26 HD2 ARG 26 -10.612 -8.974 -1.657 489 HD3 ARG 26 HD1 ARG 26 -11.076 -7.762 -0.463 490 HE ARG 26 HE ARG 26 -13.433 -8.900 -1.338 491 HH11 ARG 26 HH11 ARG 26 -10.513 -10.006 0.234 492 HH12 ARG 26 HH12 ARG 26 -11.307 -11.297 1.078 493 HH21 ARG 26 HH21 ARG 26 -14.479 -10.599 -0.238 494 HH22 ARG 26 HH22 ARG 26 -13.560 -11.649 0.798 495 H LEU 27 H LEU 27 -13.088 -3.629 -1.441 496 HA LEU 27 HA LEU 27 -15.762 -3.359 -0.626 497 HB2 LEU 27 HB3 LEU 27 -13.512 -1.355 -0.455 498 HB3 LEU 27 HB2 LEU 27 -15.019 -1.260 0.442 499 HG LEU 27 HG LEU 27 -13.006 -3.483 0.713 500 HD11 LEU 27 HD11 LEU 27 -13.532 -1.127 2.505 501 HD12 LEU 27 HD12 LEU 27 -12.101 -1.375 1.507 502 HD13 LEU 27 HD13 LEU 27 -12.439 -2.466 2.848 503 HD21 LEU 27 HD21 LEU 27 -15.243 -4.210 1.257 504 HD22 LEU 27 HD22 LEU 27 -15.482 -2.797 2.285 505 HD23 LEU 27 HD23 LEU 27 -14.303 -4.029 2.738 506 H LYS 28 H LYS 28 -14.075 -2.011 -3.344 507 HA LYS 28 HA LYS 28 -15.805 0.174 -3.839 508 HB2 LYS 28 HB3 LYS 28 -13.799 -1.337 -5.482 509 HB3 LYS 28 HB2 LYS 28 -14.867 -0.177 -6.256 510 HG2 LYS 28 HG3 LYS 28 -13.110 0.514 -3.922 511 HG3 LYS 28 HG2 LYS 28 -12.605 0.682 -5.603 512 HD2 LYS 28 HD3 LYS 28 -14.539 2.169 -6.006 513 HD3 LYS 28 HD2 LYS 28 -14.951 2.049 -4.279 514 HE2 LYS 28 HE3 LYS 28 -12.852 3.064 -3.675 515 HE3 LYS 28 HE2 LYS 28 -12.326 3.078 -5.356 516 HZ1 LYS 28 HZ1 LYS 28 -14.650 4.578 -4.281 517 HZ2 LYS 28 HZ2 LYS 28 -14.081 4.627 -5.870 518 HZ3 LYS 28 HZ3 LYS 28 -13.132 5.241 -4.618 519 H LYS 29 H LYS 29 -15.606 -3.109 -5.221 520 HA LYS 29 HA LYS 29 -17.904 -2.931 -6.819 521 HB2 LYS 29 HB3 LYS 29 -16.741 -5.377 -5.460 522 HB3 LYS 29 HB2 LYS 29 -17.858 -5.391 -6.817 523 HG2 LYS 29 HG3 LYS 29 -16.226 -4.511 -8.292 524 HG3 LYS 29 HG2 LYS 29 -15.147 -4.099 -6.956 525 HD2 LYS 29 HD3 LYS 29 -14.836 -6.467 -6.472 526 HD3 LYS 29 HD2 LYS 29 -15.944 -6.889 -7.779 527 HE2 LYS 29 HE3 LYS 29 -13.612 -7.117 -8.477 528 HE3 LYS 29 HE2 LYS 29 -14.442 -5.868 -9.401 529 HZ1 LYS 29 HZ1 LYS 29 -12.224 -5.175 -8.711 530 HZ2 LYS 29 HZ2 LYS 29 -12.651 -5.377 -7.088 531 HZ3 LYS 29 HZ3 LYS 29 -13.413 -4.189 -8.019 532 H LEU 30 H LEU 30 -17.480 -3.764 -3.423 533 HA LEU 30 HA LEU 30 -20.106 -4.707 -2.975 534 HB2 LEU 30 HB3 LEU 30 -18.173 -3.462 -1.022 535 HB3 LEU 30 HB2 LEU 30 -19.619 -4.353 -0.591 536 HG LEU 30 HG LEU 30 -17.198 -5.484 -1.991 537 HD11 LEU 30 HD11 LEU 30 -16.840 -4.995 0.379 538 HD12 LEU 30 HD12 LEU 30 -16.866 -6.730 0.067 539 HD13 LEU 30 HD13 LEU 30 -18.270 -5.941 0.786 540 HD21 LEU 30 HD21 LEU 30 -18.309 -7.646 -1.722 541 HD22 LEU 30 HD22 LEU 30 -19.241 -6.564 -2.754 542 HD23 LEU 30 HD23 LEU 30 -19.737 -6.834 -1.084 543 H VAL 31 H VAL 31 -18.660 -1.534 -2.129 544 HA VAL 31 HA VAL 31 -21.271 -0.419 -1.643 545 HB VAL 31 HB VAL 31 -19.136 0.161 -0.380 546 HG11 VAL 31 HG11 VAL 31 -17.638 0.504 -2.241 547 HG12 VAL 31 HG12 VAL 31 -17.776 1.990 -1.300 548 HG13 VAL 31 HG13 VAL 31 -18.632 1.834 -2.834 549 HG21 VAL 31 HG21 VAL 31 -20.840 2.376 -1.491 550 HG22 VAL 31 HG22 VAL 31 -19.795 2.511 -0.079 551 HG23 VAL 31 HG23 VAL 31 -21.166 1.402 -0.056 552 H GLY 32 H GLY 32 -20.236 -1.331 -4.407 553 HA2 GLY 32 HA3 GLY 32 -20.215 1.082 -5.981 554 HA3 GLY 32 HA2 GLY 32 -20.210 -0.566 -6.591 555 H GLU 33 H GLU 33 -22.441 1.303 -4.577 556 HA GLU 33 HA GLU 33 -24.542 0.920 -6.580 557 HB2 GLU 33 HB3 GLU 33 -24.758 -0.865 -4.842 558 HB3 GLU 33 HB2 GLU 33 -24.889 0.389 -3.618 559 HG2 GLU 33 HG3 GLU 33 -26.909 1.236 -4.824 560 HG3 GLU 33 HG2 GLU 33 -26.818 -0.200 -5.843 Start of MODEL 13 1 H1 GLY 1 H1 GLY 1 19.620 -4.670 -5.801 2 H2 GLY 1 H2 GLY 1 19.993 -4.347 -4.183 3 H3 GLY 1 H3 GLY 1 21.181 -4.178 -5.373 4 HA2 GLY 1 HA2 GLY 1 19.940 -2.365 -6.386 5 HA3 GLY 1 HA3 GLY 1 18.729 -2.530 -5.124 6 H SER 2 H SER 2 20.832 -0.423 -5.973 7 HA SER 2 HA SER 2 22.592 -0.146 -3.773 8 HB2 SER 2 HB3 SER 2 21.639 1.933 -5.751 9 HB3 SER 2 HB2 SER 2 23.037 2.088 -4.688 10 HG SER 2 HG SER 2 24.081 0.521 -5.816 11 H MET 3 H MET 3 22.570 1.789 -2.303 12 HA MET 3 HA MET 3 20.376 1.553 -0.602 13 HB2 MET 3 HB3 MET 3 22.493 3.698 -0.736 14 HB3 MET 3 HB2 MET 3 21.330 3.553 0.573 15 HG2 MET 3 HG3 MET 3 22.196 1.323 1.087 16 HG3 MET 3 HG2 MET 3 23.377 1.492 -0.210 17 HE1 MET 3 HE1 MET 3 25.313 0.908 1.499 18 HE2 MET 3 HE2 MET 3 24.146 0.762 2.811 19 HE3 MET 3 HE3 MET 3 25.580 1.767 3.015 20 H LYS 4 H LYS 4 21.248 4.384 -2.601 21 HA LYS 4 HA LYS 4 18.967 5.881 -1.942 22 HB2 LYS 4 HB3 LYS 4 20.973 6.889 -2.920 23 HB3 LYS 4 HB2 LYS 4 20.686 6.028 -4.423 24 HG2 LYS 4 HG3 LYS 4 19.996 8.335 -4.625 25 HG3 LYS 4 HG2 LYS 4 18.596 7.267 -4.731 26 HD2 LYS 4 HD3 LYS 4 17.997 9.119 -3.348 27 HD3 LYS 4 HD2 LYS 4 18.177 7.709 -2.306 28 HE2 LYS 4 HE3 LYS 4 19.204 9.609 -1.248 29 HE3 LYS 4 HE2 LYS 4 20.461 8.476 -1.736 30 HZ1 LYS 4 HZ1 LYS 4 21.067 10.754 -2.257 31 HZ2 LYS 4 HZ2 LYS 4 19.683 10.936 -3.205 32 HZ3 LYS 4 HZ3 LYS 4 20.893 9.854 -3.674 33 H GLN 5 H GLN 5 19.593 3.651 -4.609 34 HA GLN 5 HA GLN 5 17.249 4.021 -6.062 35 HB2 GLN 5 HB3 GLN 5 19.087 2.702 -6.930 36 HB3 GLN 5 HB2 GLN 5 18.890 1.518 -5.645 37 HG2 GLN 5 HG3 GLN 5 16.688 0.928 -6.533 38 HG3 GLN 5 HG2 GLN 5 16.902 2.105 -7.828 39 HE21 GLN 5 HE21 GLN 5 19.730 1.511 -8.157 40 HE22 GLN 5 HE22 GLN 5 19.806 -0.018 -8.960 41 H LEU 6 H LEU 6 17.907 1.837 -3.345 42 HA LEU 6 HA LEU 6 15.274 0.732 -3.315 43 HB2 LEU 6 HB3 LEU 6 17.397 0.765 -1.165 44 HB3 LEU 6 HB2 LEU 6 15.901 -0.139 -1.070 45 HG LEU 6 HG LEU 6 18.091 -0.591 -3.101 46 HD11 LEU 6 HD11 LEU 6 18.478 -2.666 -1.902 47 HD12 LEU 6 HD12 LEU 6 17.238 -2.234 -0.727 48 HD13 LEU 6 HD13 LEU 6 18.715 -1.278 -0.841 49 HD21 LEU 6 HD21 LEU 6 15.931 -1.120 -4.044 50 HD22 LEU 6 HD22 LEU 6 15.500 -2.053 -2.610 51 HD23 LEU 6 HD23 LEU 6 16.795 -2.610 -3.669 52 H GLU 7 H GLU 7 16.802 3.490 -1.856 53 HA GLU 7 HA GLU 7 14.888 4.015 0.137 54 HB2 GLU 7 HB3 GLU 7 17.084 4.996 0.267 55 HB3 GLU 7 HB2 GLU 7 16.876 5.797 -1.281 56 HG2 GLU 7 HG3 GLU 7 15.190 7.251 -0.339 57 HG3 GLU 7 HG2 GLU 7 15.318 6.422 1.230 58 H ASP 8 H ASP 8 15.088 4.868 -3.268 59 HA ASP 8 HA ASP 8 12.913 6.685 -3.285 60 HB2 ASP 8 HB3 ASP 8 14.173 4.992 -5.434 61 HB3 ASP 8 HB2 ASP 8 12.763 5.990 -5.760 62 H LYS 9 H LYS 9 13.128 3.231 -4.002 63 HA LYS 9 HA LYS 9 10.369 2.879 -4.562 64 HB2 LYS 9 HB3 LYS 9 11.907 0.602 -3.399 65 HB3 LYS 9 HB2 LYS 9 10.738 0.615 -4.713 66 HG2 LYS 9 HG3 LYS 9 12.533 1.971 -5.998 67 HG3 LYS 9 HG2 LYS 9 13.639 1.307 -4.796 68 HD2 LYS 9 HD3 LYS 9 11.859 -0.261 -6.661 69 HD3 LYS 9 HD2 LYS 9 13.610 -0.095 -6.777 70 HE2 LYS 9 HE3 LYS 9 13.861 -1.241 -4.632 71 HE3 LYS 9 HE2 LYS 9 12.110 -1.395 -4.507 72 HZ1 LYS 9 HZ1 LYS 9 13.788 -2.594 -6.641 73 HZ2 LYS 9 HZ2 LYS 9 12.113 -2.765 -6.484 74 HZ3 LYS 9 HZ3 LYS 9 13.142 -3.426 -5.321 75 H VAL 10 H VAL 10 12.218 2.371 -1.578 76 HA VAL 10 HA VAL 10 10.185 1.162 -0.053 77 HB VAL 10 HB VAL 10 12.592 1.239 0.612 78 HG11 VAL 10 HG11 VAL 10 11.980 4.040 1.524 79 HG12 VAL 10 HG12 VAL 10 12.982 3.618 0.136 80 HG13 VAL 10 HG13 VAL 10 13.487 3.154 1.762 81 HG21 VAL 10 HG21 VAL 10 10.620 2.231 2.662 82 HG22 VAL 10 HG22 VAL 10 12.174 1.477 3.017 83 HG23 VAL 10 HG23 VAL 10 10.910 0.551 2.211 84 H GLU 11 H GLU 11 10.963 4.415 -0.866 85 HA GLU 11 HA GLU 11 9.051 5.629 0.919 86 HB2 GLU 11 HB3 GLU 11 11.114 6.790 0.194 87 HB3 GLU 11 HB2 GLU 11 10.482 6.847 -1.446 88 HG2 GLU 11 HG3 GLU 11 8.626 8.226 -0.703 89 HG3 GLU 11 HG2 GLU 11 9.215 8.144 0.956 90 H GLU 12 H GLU 12 9.185 5.183 -2.653 91 HA GLU 12 HA GLU 12 6.734 6.397 -3.230 92 HB2 GLU 12 HB3 GLU 12 8.355 5.836 -4.956 93 HB3 GLU 12 HB2 GLU 12 8.124 4.119 -4.653 94 HG2 GLU 12 HG3 GLU 12 5.788 4.328 -5.380 95 HG3 GLU 12 HG2 GLU 12 6.067 6.030 -5.738 96 H LEU 13 H LEU 13 7.419 2.955 -2.823 97 HA LEU 13 HA LEU 13 4.880 1.913 -2.972 98 HB2 LEU 13 HB3 LEU 13 7.092 1.011 -1.130 99 HB3 LEU 13 HB2 LEU 13 5.703 0.053 -1.602 100 HG LEU 13 HG LEU 13 7.876 1.023 -3.461 101 HD11 LEU 13 HD11 LEU 13 7.279 -1.711 -2.355 102 HD12 LEU 13 HD12 LEU 13 8.674 -0.706 -1.969 103 HD13 LEU 13 HD13 LEU 13 8.475 -1.352 -3.599 104 HD21 LEU 13 HD21 LEU 13 6.793 -0.504 -5.084 105 HD22 LEU 13 HD22 LEU 13 5.792 0.878 -4.643 106 HD23 LEU 13 HD23 LEU 13 5.459 -0.708 -3.949 107 H LEU 14 H LEU 14 6.508 3.178 -0.072 108 HA LEU 14 HA LEU 14 4.414 2.631 1.715 109 HB2 LEU 14 HB3 LEU 14 6.673 3.089 2.488 110 HB3 LEU 14 HB2 LEU 14 6.594 4.718 1.863 111 HG LEU 14 HG LEU 14 4.804 5.231 3.501 112 HD11 LEU 14 HD11 LEU 14 4.458 3.668 5.377 113 HD12 LEU 14 HD12 LEU 14 5.408 2.458 4.515 114 HD13 LEU 14 HD13 LEU 14 3.881 3.025 3.840 115 HD21 LEU 14 HD21 LEU 14 7.137 5.750 3.989 116 HD22 LEU 14 HD22 LEU 14 7.354 4.145 4.687 117 HD23 LEU 14 HD23 LEU 14 6.264 5.300 5.454 118 H SER 15 H SER 15 5.185 5.505 -0.222 119 HA SER 15 HA SER 15 3.183 7.191 0.730 120 HB2 SER 15 HB3 SER 15 5.035 7.843 -0.822 121 HB3 SER 15 HB2 SER 15 4.187 7.011 -2.123 122 HG SER 15 HG SER 15 3.113 9.156 -0.597 123 H LYS 16 H LYS 16 3.053 4.787 -1.909 124 HA LYS 16 HA LYS 16 0.299 5.316 -2.444 125 HB2 LYS 16 HB3 LYS 16 2.060 4.180 -4.001 126 HB3 LYS 16 HB2 LYS 16 1.609 2.706 -3.157 127 HG2 LYS 16 HG3 LYS 16 -0.784 3.220 -3.781 128 HG3 LYS 16 HG2 LYS 16 -0.148 4.483 -4.835 129 HD2 LYS 16 HD3 LYS 16 -0.404 2.676 -6.264 130 HD3 LYS 16 HD2 LYS 16 1.304 2.606 -5.838 131 HE2 LYS 16 HE3 LYS 16 0.868 0.874 -4.211 132 HE3 LYS 16 HE2 LYS 16 -0.867 1.002 -4.491 133 HZ1 LYS 16 HZ1 LYS 16 1.163 0.093 -6.455 134 HZ2 LYS 16 HZ2 LYS 16 -0.482 0.287 -6.783 135 HZ3 LYS 16 HZ3 LYS 16 0.023 -0.874 -5.667 136 H ASN 17 H ASN 17 2.044 2.883 -0.546 137 HA ASN 17 HA ASN 17 -0.049 1.235 0.218 138 HB2 ASN 17 HB3 ASN 17 2.390 0.955 0.767 139 HB3 ASN 17 HB2 ASN 17 2.197 2.168 2.023 140 HD21 ASN 17 HD21 ASN 17 3.048 -0.559 2.341 141 HD22 ASN 17 HD22 ASN 17 1.906 -1.324 3.376 142 H TYR 18 H TYR 18 1.036 4.267 1.727 143 HA TYR 18 HA TYR 18 -0.781 4.498 3.771 144 HB2 TYR 18 HB3 TYR 18 1.217 5.958 3.195 145 HB3 TYR 18 HB2 TYR 18 0.170 6.777 2.040 146 HD1 TYR 18 HD1 TYR 18 -1.247 8.499 2.742 147 HD2 TYR 18 HD2 TYR 18 0.518 5.915 5.609 148 HE1 TYR 18 HE1 TYR 18 -2.076 9.938 4.540 149 HE2 TYR 18 HE2 TYR 18 -0.299 7.338 7.412 150 HH TYR 18 HH TYR 18 -1.015 9.650 7.774 151 H HIS 19 H HIS 19 -1.157 5.262 0.345 152 HA HIS 19 HA HIS 19 -3.636 6.601 0.533 153 HB2 HIS 19 HB3 HIS 19 -2.445 5.031 -1.773 154 HB3 HIS 19 HB2 HIS 19 -3.893 6.025 -1.888 155 HD1 HIS 19 HD1 HIS 19 -1.431 6.646 -3.615 156 HD2 HIS 19 HD2 HIS 19 -2.220 8.416 0.065 157 HE1 HIS 19 HE1 HIS 19 -0.154 8.814 -3.616 158 HE2 HIS 19 HE2 HIS 19 -0.759 9.928 -1.439 159 H LEU 20 H LEU 20 -2.937 3.235 -0.407 160 HA LEU 20 HA LEU 20 -5.646 2.528 -0.702 161 HB2 LEU 20 HB3 LEU 20 -3.246 0.750 -0.238 162 HB3 LEU 20 HB2 LEU 20 -4.854 0.160 -0.571 163 HG LEU 20 HG LEU 20 -3.557 0.067 -2.586 164 HD11 LEU 20 HD11 LEU 20 -4.997 1.182 -4.082 165 HD12 LEU 20 HD12 LEU 20 -5.424 2.393 -2.872 166 HD13 LEU 20 HD13 LEU 20 -5.967 0.729 -2.680 167 HD21 LEU 20 HD21 LEU 20 -1.894 1.760 -2.103 168 HD22 LEU 20 HD22 LEU 20 -3.114 3.020 -2.282 169 HD23 LEU 20 HD23 LEU 20 -2.649 2.038 -3.672 170 H GLU 21 H GLU 21 -3.447 2.303 2.035 171 HA GLU 21 HA GLU 21 -5.015 0.754 3.737 172 HB2 GLU 21 HB3 GLU 21 -2.664 1.386 4.167 173 HB3 GLU 21 HB2 GLU 21 -3.183 3.031 4.495 174 HG2 GLU 21 HG3 GLU 21 -2.882 2.044 6.591 175 HG3 GLU 21 HG2 GLU 21 -4.623 2.059 6.330 176 H ASN 22 H ASN 22 -5.050 4.252 3.193 177 HA ASN 22 HA ASN 22 -7.080 4.673 5.191 178 HB2 ASN 22 HB3 ASN 22 -5.690 6.466 3.224 179 HB3 ASN 22 HB2 ASN 22 -7.107 7.029 4.105 180 HD21 ASN 22 HD21 ASN 22 -3.765 6.123 4.321 181 HD22 ASN 22 HD22 ASN 22 -3.517 6.678 5.944 182 H GLU 23 H GLU 23 -6.992 4.175 1.741 183 HA GLU 23 HA GLU 23 -9.654 5.065 1.258 184 HB2 GLU 23 HB3 GLU 23 -7.801 3.308 -0.349 185 HB3 GLU 23 HB2 GLU 23 -9.399 3.793 -0.905 186 HG2 GLU 23 HG3 GLU 23 -8.711 6.157 -0.691 187 HG3 GLU 23 HG2 GLU 23 -7.093 5.614 -0.259 188 H VAL 24 H VAL 24 -8.204 1.946 2.049 189 HA VAL 24 HA VAL 24 -10.454 0.316 1.808 190 HB VAL 24 HB VAL 24 -8.199 0.185 3.824 191 HG11 VAL 24 HG11 VAL 24 -10.302 -1.897 3.229 192 HG12 VAL 24 HG12 VAL 24 -10.170 -0.961 4.719 193 HG13 VAL 24 HG13 VAL 24 -8.904 -2.109 4.284 194 HG21 VAL 24 HG21 VAL 24 -8.751 -1.307 1.267 195 HG22 VAL 24 HG22 VAL 24 -7.457 -1.699 2.392 196 HG23 VAL 24 HG23 VAL 24 -7.458 -0.145 1.558 197 H ALA 25 H ALA 25 -9.308 2.187 4.605 198 HA ALA 25 HA ALA 25 -11.318 1.578 6.411 199 HB1 ALA 25 HB1 ALA 25 -10.685 3.602 7.592 200 HB2 ALA 25 HB2 ALA 25 -9.852 4.201 6.157 201 HB3 ALA 25 HB3 ALA 25 -9.254 2.766 6.990 202 H ARG 26 H ARG 26 -11.255 4.160 3.984 203 HA ARG 26 HA ARG 26 -13.643 5.426 4.706 204 HB2 ARG 26 HB3 ARG 26 -12.053 6.456 3.173 205 HB3 ARG 26 HB2 ARG 26 -12.333 5.187 1.989 206 HG2 ARG 26 HG3 ARG 26 -14.641 5.924 1.726 207 HG3 ARG 26 HG2 ARG 26 -14.383 7.182 2.935 208 HD2 ARG 26 HD2 ARG 26 -12.721 8.239 1.517 209 HD3 ARG 26 HD1 ARG 26 -12.880 6.946 0.329 210 HE ARG 26 HE ARG 26 -15.399 8.133 0.776 211 HH11 ARG 26 HH11 ARG 26 -12.307 8.859 -0.690 212 HH12 ARG 26 HH12 ARG 26 -12.976 9.916 -1.892 213 HH21 ARG 26 HH21 ARG 26 -16.288 9.537 -0.791 214 HH22 ARG 26 HH22 ARG 26 -15.244 10.306 -1.944 215 H LEU 27 H LEU 27 -13.028 2.947 2.229 216 HA LEU 27 HA LEU 27 -15.727 2.655 1.470 217 HB2 LEU 27 HB3 LEU 27 -13.465 0.676 1.232 218 HB3 LEU 27 HB2 LEU 27 -14.990 0.586 0.367 219 HG LEU 27 HG LEU 27 -12.992 2.819 0.070 220 HD11 LEU 27 HD11 LEU 27 -12.096 0.711 -0.751 221 HD12 LEU 27 HD12 LEU 27 -12.458 1.815 -2.075 222 HD13 LEU 27 HD13 LEU 27 -13.545 0.471 -1.728 223 HD21 LEU 27 HD21 LEU 27 -15.268 3.512 -0.421 224 HD22 LEU 27 HD22 LEU 27 -15.479 2.121 -1.483 225 HD23 LEU 27 HD23 LEU 27 -14.331 3.390 -1.910 226 H LYS 28 H LYS 28 -13.976 1.386 4.182 227 HA LYS 28 HA LYS 28 -15.590 -0.857 4.738 228 HB2 LYS 28 HB3 LYS 28 -13.890 0.902 6.509 229 HB3 LYS 28 HB2 LYS 28 -14.773 -0.482 7.130 230 HG2 LYS 28 HG3 LYS 28 -12.730 -0.656 4.934 231 HG3 LYS 28 HG2 LYS 28 -12.365 -0.885 6.644 232 HD2 LYS 28 HD3 LYS 28 -14.078 -2.709 6.689 233 HD3 LYS 28 HD2 LYS 28 -14.210 -2.541 4.921 234 HE2 LYS 28 HE3 LYS 28 -11.845 -3.070 4.688 235 HE3 LYS 28 HE2 LYS 28 -11.681 -3.181 6.437 236 HZ1 LYS 28 HZ1 LYS 28 -13.373 -4.943 4.751 237 HZ2 LYS 28 HZ2 LYS 28 -13.206 -5.047 6.430 238 HZ3 LYS 28 HZ3 LYS 28 -11.881 -5.355 5.430 239 H LYS 29 H LYS 29 -15.639 2.481 6.010 240 HA LYS 29 HA LYS 29 -17.972 2.141 7.564 241 HB2 LYS 29 HB3 LYS 29 -16.633 4.587 6.404 242 HB3 LYS 29 HB2 LYS 29 -18.118 4.715 7.326 243 HG2 LYS 29 HG3 LYS 29 -16.125 5.224 8.653 244 HG3 LYS 29 HG2 LYS 29 -17.005 3.855 9.311 245 HD2 LYS 29 HD3 LYS 29 -15.390 2.350 8.165 246 HD3 LYS 29 HD2 LYS 29 -14.490 3.775 7.645 247 HE2 LYS 29 HE3 LYS 29 -13.464 2.815 9.617 248 HE3 LYS 29 HE2 LYS 29 -14.146 4.395 9.996 249 HZ1 LYS 29 HZ1 LYS 29 -14.618 2.731 11.708 250 HZ2 LYS 29 HZ2 LYS 29 -15.456 1.796 10.577 251 HZ3 LYS 29 HZ3 LYS 29 -16.037 3.322 11.005 252 H LEU 30 H LEU 30 -17.516 2.720 4.182 253 HA LEU 30 HA LEU 30 -20.172 3.641 3.665 254 HB2 LEU 30 HB3 LEU 30 -17.872 2.722 1.987 255 HB3 LEU 30 HB2 LEU 30 -19.455 2.806 1.254 256 HG LEU 30 HG LEU 30 -19.517 5.138 1.321 257 HD11 LEU 30 HD11 LEU 30 -19.018 5.427 3.699 258 HD12 LEU 30 HD12 LEU 30 -18.067 6.533 2.709 259 HD13 LEU 30 HD13 LEU 30 -17.316 5.089 3.389 260 HD21 LEU 30 HD21 LEU 30 -17.805 4.309 -0.216 261 HD22 LEU 30 HD22 LEU 30 -16.592 4.479 1.053 262 HD23 LEU 30 HD23 LEU 30 -17.409 5.903 0.420 263 H VAL 31 H VAL 31 -18.550 0.510 3.026 264 HA VAL 31 HA VAL 31 -20.898 -0.873 2.328 265 HB VAL 31 HB VAL 31 -18.411 -2.038 3.595 266 HG11 VAL 31 HG11 VAL 31 -20.291 -3.584 3.606 267 HG12 VAL 31 HG12 VAL 31 -19.057 -4.107 2.461 268 HG13 VAL 31 HG13 VAL 31 -20.527 -3.328 1.876 269 HG21 VAL 31 HG21 VAL 31 -17.827 -0.746 1.631 270 HG22 VAL 31 HG22 VAL 31 -19.059 -1.583 0.688 271 HG23 VAL 31 HG23 VAL 31 -17.663 -2.470 1.300 272 H GLY 32 H GLY 32 -19.524 -0.086 5.452 273 HA2 GLY 32 HA3 GLY 32 -20.644 -0.219 7.515 274 HA3 GLY 32 HA2 GLY 32 -21.816 -1.309 6.782 275 H GLU 33 H GLU 33 -18.323 -1.533 6.621 276 HA GLU 33 HA GLU 33 -18.535 -4.224 7.775 277 HB2 GLU 33 HB3 GLU 33 -17.730 -3.974 5.402 278 HB3 GLU 33 HB2 GLU 33 -16.336 -3.106 6.027 279 HG2 GLU 33 HG3 GLU 33 -15.867 -5.468 5.528 280 HG3 GLU 33 HG2 GLU 33 -15.590 -5.050 7.219 281 H1 GLY 1 H1 GLY 1 19.587 4.456 6.135 282 H2 GLY 1 H2 GLY 1 19.945 4.132 4.515 283 H3 GLY 1 H3 GLY 1 21.153 4.002 5.686 284 HA2 GLY 1 HA2 GLY 1 19.980 2.165 6.732 285 HA3 GLY 1 HA3 GLY 1 18.741 2.294 5.493 286 H SER 2 H SER 2 20.899 0.237 6.315 287 HA SER 2 HA SER 2 22.622 -0.030 4.085 288 HB2 SER 2 HB3 SER 2 21.718 -2.119 6.080 289 HB3 SER 2 HB2 SER 2 23.102 -2.258 4.996 290 HG SER 2 HG SER 2 24.123 -0.620 6.085 291 H MET 3 H MET 3 22.599 -1.967 2.616 292 HA MET 3 HA MET 3 20.378 -1.764 0.947 293 HB2 MET 3 HB3 MET 3 22.523 -3.884 1.058 294 HB3 MET 3 HB2 MET 3 21.339 -3.759 -0.235 295 HG2 MET 3 HG3 MET 3 22.172 -1.520 -0.768 296 HG3 MET 3 HG2 MET 3 23.373 -1.670 0.511 297 HE1 MET 3 HE1 MET 3 25.285 -1.073 -1.216 298 HE2 MET 3 HE2 MET 3 24.096 -0.933 -2.511 299 HE3 MET 3 HE3 MET 3 25.536 -1.924 -2.739 300 H LYS 4 H LYS 4 21.318 -4.583 2.929 301 HA LYS 4 HA LYS 4 19.045 -6.107 2.318 302 HB2 LYS 4 HB3 LYS 4 21.081 -7.084 3.265 303 HB3 LYS 4 HB2 LYS 4 20.806 -6.224 4.773 304 HG2 LYS 4 HG3 LYS 4 20.146 -8.536 4.991 305 HG3 LYS 4 HG2 LYS 4 18.736 -7.488 5.112 306 HD2 LYS 4 HD3 LYS 4 18.142 -9.357 3.750 307 HD3 LYS 4 HD2 LYS 4 18.281 -7.950 2.698 308 HE2 LYS 4 HE3 LYS 4 19.320 -9.840 1.630 309 HE3 LYS 4 HE2 LYS 4 20.568 -8.685 2.092 310 HZ1 LYS 4 HZ1 LYS 4 21.221 -10.942 2.618 311 HZ2 LYS 4 HZ2 LYS 4 19.854 -11.152 3.586 312 HZ3 LYS 4 HZ3 LYS 4 21.048 -10.041 4.035 313 H GLN 5 H GLN 5 19.681 -3.847 4.953 314 HA GLN 5 HA GLN 5 17.369 -4.258 6.456 315 HB2 GLN 5 HB3 GLN 5 19.198 -2.910 7.296 316 HB3 GLN 5 HB2 GLN 5 18.966 -1.730 6.013 317 HG2 GLN 5 HG3 GLN 5 16.771 -1.173 6.927 318 HG3 GLN 5 HG2 GLN 5 17.014 -2.346 8.218 319 HE21 GLN 5 HE21 GLN 5 19.844 -1.708 8.509 320 HE22 GLN 5 HE22 GLN 5 19.902 -0.181 9.318 321 H LEU 6 H LEU 6 17.956 -2.069 3.729 322 HA LEU 6 HA LEU 6 15.309 -1.002 3.732 323 HB2 LEU 6 HB3 LEU 6 17.403 -1.010 1.553 324 HB3 LEU 6 HB2 LEU 6 15.893 -0.128 1.478 325 HG LEU 6 HG LEU 6 18.104 0.360 3.479 326 HD11 LEU 6 HD11 LEU 6 18.447 2.439 2.269 327 HD12 LEU 6 HD12 LEU 6 17.196 1.986 1.112 328 HD13 LEU 6 HD13 LEU 6 18.687 1.050 1.210 329 HD21 LEU 6 HD21 LEU 6 15.949 0.861 4.452 330 HD22 LEU 6 HD22 LEU 6 15.486 1.783 3.022 331 HD23 LEU 6 HD23 LEU 6 16.788 2.362 4.063 332 H GLU 7 H GLU 7 16.856 -3.744 2.257 333 HA GLU 7 HA GLU 7 14.918 -4.301 0.295 334 HB2 GLU 7 HB3 GLU 7 17.124 -5.254 0.135 335 HB3 GLU 7 HB2 GLU 7 16.949 -6.052 1.687 336 HG2 GLU 7 HG3 GLU 7 15.260 -7.525 0.771 337 HG3 GLU 7 HG2 GLU 7 15.370 -6.706 -0.804 338 H ASP 8 H ASP 8 15.176 -5.136 3.701 339 HA ASP 8 HA ASP 8 13.027 -6.988 3.750 340 HB2 ASP 8 HB3 ASP 8 14.295 -5.280 5.884 341 HB3 ASP 8 HB2 ASP 8 12.904 -6.301 6.227 342 H LYS 9 H LYS 9 13.209 -3.531 4.454 343 HA LYS 9 HA LYS 9 10.453 -3.213 5.051 344 HB2 LYS 9 HB3 LYS 9 11.941 -0.917 3.863 345 HB3 LYS 9 HB2 LYS 9 10.793 -0.946 5.195 346 HG2 LYS 9 HG3 LYS 9 12.624 -2.274 6.454 347 HG3 LYS 9 HG2 LYS 9 13.705 -1.598 5.237 348 HD2 LYS 9 HD3 LYS 9 11.931 -0.052 7.126 349 HD3 LYS 9 HD2 LYS 9 13.685 -0.191 7.213 350 HE2 LYS 9 HE3 LYS 9 13.884 0.963 5.069 351 HE3 LYS 9 HE2 LYS 9 12.130 1.080 4.965 352 HZ1 LYS 9 HZ1 LYS 9 13.809 2.317 7.077 353 HZ2 LYS 9 HZ2 LYS 9 12.128 2.448 6.946 354 HZ3 LYS 9 HZ3 LYS 9 13.123 3.134 5.765 355 H VAL 10 H VAL 10 12.251 -2.685 2.043 356 HA VAL 10 HA VAL 10 10.180 -1.508 0.545 357 HB VAL 10 HB VAL 10 12.578 -1.557 -0.158 358 HG11 VAL 10 HG11 VAL 10 11.989 -4.370 -1.056 359 HG12 VAL 10 HG12 VAL 10 13.008 -3.933 0.315 360 HG13 VAL 10 HG13 VAL 10 13.481 -3.465 -1.318 361 HG21 VAL 10 HG21 VAL 10 10.589 -2.579 -2.176 362 HG22 VAL 10 HG22 VAL 10 12.126 -1.806 -2.556 363 HG23 VAL 10 HG23 VAL 10 10.864 -0.896 -1.732 364 H GLU 11 H GLU 11 11.015 -4.747 1.350 365 HA GLU 11 HA GLU 11 9.095 -5.992 -0.402 366 HB2 GLU 11 HB3 GLU 11 11.181 -7.124 0.300 367 HB3 GLU 11 HB2 GLU 11 10.571 -7.180 1.948 368 HG2 GLU 11 HG3 GLU 11 8.724 -8.586 1.243 369 HG3 GLU 11 HG2 GLU 11 9.278 -8.497 -0.428 370 H GLU 12 H GLU 12 9.268 -5.535 3.168 371 HA GLU 12 HA GLU 12 6.843 -6.782 3.782 372 HB2 GLU 12 HB3 GLU 12 8.473 -6.191 5.489 373 HB3 GLU 12 HB2 GLU 12 8.220 -4.480 5.177 374 HG2 GLU 12 HG3 GLU 12 5.893 -4.709 5.934 375 HG3 GLU 12 HG2 GLU 12 6.196 -6.406 6.297 376 H LEU 13 H LEU 13 7.474 -3.330 3.365 377 HA LEU 13 HA LEU 13 4.926 -2.320 3.535 378 HB2 LEU 13 HB3 LEU 13 7.101 -1.398 1.661 379 HB3 LEU 13 HB2 LEU 13 5.706 -0.455 2.149 380 HG LEU 13 HG LEU 13 7.916 -1.395 3.980 381 HD11 LEU 13 HD11 LEU 13 7.269 1.329 2.876 382 HD12 LEU 13 HD12 LEU 13 8.672 0.341 2.475 383 HD13 LEU 13 HD13 LEU 13 8.485 0.990 4.103 384 HD21 LEU 13 HD21 LEU 13 6.833 0.121 5.611 385 HD22 LEU 13 HD22 LEU 13 5.844 -1.273 5.189 386 HD23 LEU 13 HD23 LEU 13 5.482 0.307 4.495 387 H LEU 14 H LEU 14 6.530 -3.573 0.619 388 HA LEU 14 HA LEU 14 4.404 -3.057 -1.140 389 HB2 LEU 14 HB3 LEU 14 6.658 -3.484 -1.944 390 HB3 LEU 14 HB2 LEU 14 6.609 -5.113 -1.313 391 HG LEU 14 HG LEU 14 4.801 -5.655 -2.923 392 HD11 LEU 14 HD11 LEU 14 4.410 -4.101 -4.798 393 HD12 LEU 14 HD12 LEU 14 5.356 -2.876 -3.954 394 HD13 LEU 14 HD13 LEU 14 3.847 -3.464 -3.255 395 HD21 LEU 14 HD21 LEU 14 7.134 -6.149 -3.440 396 HD22 LEU 14 HD22 LEU 14 7.321 -4.544 -4.148 397 HD23 LEU 14 HD23 LEU 14 6.234 -5.717 -4.893 398 H SER 15 H SER 15 5.240 -5.916 0.797 399 HA SER 15 HA SER 15 3.249 -7.626 -0.132 400 HB2 SER 15 HB3 SER 15 5.125 -8.262 1.393 401 HB3 SER 15 HB2 SER 15 4.289 -7.438 2.707 402 HG SER 15 HG SER 15 3.214 -9.586 1.190 403 H LYS 16 H LYS 16 3.122 -5.228 2.512 404 HA LYS 16 HA LYS 16 0.384 -5.788 3.084 405 HB2 LYS 16 HB3 LYS 16 2.153 -4.632 4.617 406 HB3 LYS 16 HB2 LYS 16 1.676 -3.164 3.775 407 HG2 LYS 16 HG3 LYS 16 -0.702 -3.701 4.432 408 HG3 LYS 16 HG2 LYS 16 -0.039 -4.952 5.483 409 HD2 LYS 16 HD3 LYS 16 -0.295 -3.137 6.907 410 HD3 LYS 16 HD2 LYS 16 1.407 -3.053 6.457 411 HE2 LYS 16 HE3 LYS 16 0.937 -1.332 4.835 412 HE3 LYS 16 HE2 LYS 16 -0.795 -1.482 5.126 413 HZ1 LYS 16 HZ1 LYS 16 1.232 -0.538 7.079 414 HZ2 LYS 16 HZ2 LYS 16 -0.413 -0.749 7.412 415 HZ3 LYS 16 HZ3 LYS 16 0.079 0.413 6.289 416 H ASN 17 H ASN 17 2.069 -3.337 1.158 417 HA ASN 17 HA ASN 17 -0.058 -1.720 0.417 418 HB2 ASN 17 HB3 ASN 17 2.370 -1.410 -0.163 419 HB3 ASN 17 HB2 ASN 17 2.175 -2.624 -1.419 420 HD21 ASN 17 HD21 ASN 17 2.992 0.108 -1.756 421 HD22 ASN 17 HD22 ASN 17 1.822 0.859 -2.772 422 H TYR 18 H TYR 18 1.051 -4.737 -1.107 423 HA TYR 18 HA TYR 18 -0.794 -5.001 -3.118 424 HB2 TYR 18 HB3 TYR 18 1.230 -6.432 -2.565 425 HB3 TYR 18 HB2 TYR 18 0.210 -7.262 -1.393 426 HD1 TYR 18 HD1 TYR 18 -1.194 -9.006 -2.073 427 HD2 TYR 18 HD2 TYR 18 0.495 -6.400 -4.965 428 HE1 TYR 18 HE1 TYR 18 -2.033 -10.456 -3.859 429 HE2 TYR 18 HE2 TYR 18 -0.333 -7.829 -6.754 430 HH TYR 18 HH TYR 18 -1.012 -10.175 -7.096 431 H HIS 19 H HIS 19 -1.111 -5.757 0.315 432 HA HIS 19 HA HIS 19 -3.572 -7.128 0.166 433 HB2 HIS 19 HB3 HIS 19 -2.374 -5.542 2.452 434 HB3 HIS 19 HB2 HIS 19 -3.807 -6.553 2.587 435 HD1 HIS 19 HD1 HIS 19 -1.305 -7.139 4.277 436 HD2 HIS 19 HD2 HIS 19 -2.134 -8.923 0.617 437 HE1 HIS 19 HE1 HIS 19 0.002 -9.287 4.257 438 HE2 HIS 19 HE2 HIS 19 -0.643 -10.419 2.104 439 H LEU 20 H LEU 20 -2.910 -3.754 1.090 440 HA LEU 20 HA LEU 20 -5.622 -3.081 1.418 441 HB2 LEU 20 HB3 LEU 20 -3.250 -1.276 0.924 442 HB3 LEU 20 HB2 LEU 20 -4.861 -0.705 1.277 443 HG LEU 20 HG LEU 20 -3.541 -0.593 3.276 444 HD11 LEU 20 HD11 LEU 20 -4.947 -1.728 4.796 445 HD12 LEU 20 HD12 LEU 20 -5.376 -2.943 3.592 446 HD13 LEU 20 HD13 LEU 20 -5.941 -1.285 3.409 447 HD21 LEU 20 HD21 LEU 20 -1.864 -2.262 2.773 448 HD22 LEU 20 HD22 LEU 20 -3.063 -3.539 2.969 449 HD23 LEU 20 HD23 LEU 20 -2.594 -2.549 4.352 450 H GLU 21 H GLU 21 -3.466 -2.839 -1.350 451 HA GLU 21 HA GLU 21 -5.074 -1.306 -3.030 452 HB2 GLU 21 HB3 GLU 21 -2.719 -1.908 -3.489 453 HB3 GLU 21 HB2 GLU 21 -3.223 -3.561 -3.809 454 HG2 GLU 21 HG3 GLU 21 -2.956 -2.569 -5.910 455 HG3 GLU 21 HG2 GLU 21 -4.693 -2.617 -5.627 456 H ASN 22 H ASN 22 -5.054 -4.803 -2.484 457 HA ASN 22 HA ASN 22 -7.107 -5.257 -4.450 458 HB2 ASN 22 HB3 ASN 22 -5.667 -7.026 -2.498 459 HB3 ASN 22 HB2 ASN 22 -7.089 -7.609 -3.359 460 HD21 ASN 22 HD21 ASN 22 -3.764 -6.657 -3.623 461 HD22 ASN 22 HD22 ASN 22 -3.534 -7.214 -5.248 462 H GLU 23 H GLU 23 -6.979 -4.735 -1.006 463 HA GLU 23 HA GLU 23 -9.621 -5.676 -0.484 464 HB2 GLU 23 HB3 GLU 23 -7.776 -3.893 1.103 465 HB3 GLU 23 HB2 GLU 23 -9.358 -4.405 1.678 466 HG2 GLU 23 HG3 GLU 23 -8.637 -6.755 1.463 467 HG3 GLU 23 HG2 GLU 23 -7.035 -6.191 0.996 468 H VAL 24 H VAL 24 -8.223 -2.544 -1.303 469 HA VAL 24 HA VAL 24 -10.489 -0.945 -1.028 470 HB VAL 24 HB VAL 24 -8.269 -0.782 -3.080 471 HG11 VAL 24 HG11 VAL 24 -10.391 1.272 -2.451 472 HG12 VAL 24 HG12 VAL 24 -10.271 0.337 -3.941 473 HG13 VAL 24 HG13 VAL 24 -9.012 1.502 -3.528 474 HG21 VAL 24 HG21 VAL 24 -8.797 0.715 -0.521 475 HG22 VAL 24 HG22 VAL 24 -7.523 1.109 -1.667 476 HG23 VAL 24 HG23 VAL 24 -7.500 -0.439 -0.822 477 H ALA 25 H ALA 25 -9.359 -2.796 -3.844 478 HA ALA 25 HA ALA 25 -11.403 -2.222 -5.618 479 HB1 ALA 25 HB1 ALA 25 -10.764 -4.243 -6.801 480 HB2 ALA 25 HB2 ALA 25 -9.902 -4.825 -5.376 481 HB3 ALA 25 HB3 ALA 25 -9.333 -3.386 -6.225 482 H ARG 26 H ARG 26 -11.274 -4.797 -3.184 483 HA ARG 26 HA ARG 26 -13.658 -6.093 -3.868 484 HB2 ARG 26 HB3 ARG 26 -12.035 -7.102 -2.355 485 HB3 ARG 26 HB2 ARG 26 -12.314 -5.835 -1.171 486 HG2 ARG 26 HG3 ARG 26 -14.608 -6.600 -0.875 487 HG3 ARG 26 HG2 ARG 26 -14.348 -7.858 -2.084 488 HD2 ARG 26 HD2 ARG 26 -12.652 -8.884 -0.691 489 HD3 ARG 26 HD1 ARG 26 -12.815 -7.592 0.498 490 HE ARG 26 HE ARG 26 -15.319 -8.822 0.080 491 HH11 ARG 26 HH11 ARG 26 -12.202 -9.492 1.522 492 HH12 ARG 26 HH12 ARG 26 -12.847 -10.553 2.733 493 HH21 ARG 26 HH21 ARG 26 -16.167 -10.229 1.666 494 HH22 ARG 26 HH22 ARG 26 -15.096 -10.988 2.800 495 H LEU 27 H LEU 27 -13.037 -3.601 -1.407 496 HA LEU 27 HA LEU 27 -15.726 -3.344 -0.607 497 HB2 LEU 27 HB3 LEU 27 -13.483 -1.336 -0.409 498 HB3 LEU 27 HB2 LEU 27 -14.997 -1.258 0.476 499 HG LEU 27 HG LEU 27 -12.973 -3.471 0.753 500 HD11 LEU 27 HD11 LEU 27 -12.091 -1.348 1.560 501 HD12 LEU 27 HD12 LEU 27 -12.420 -2.455 2.890 502 HD13 LEU 27 HD13 LEU 27 -13.530 -1.127 2.556 503 HD21 LEU 27 HD21 LEU 27 -15.231 -4.193 1.273 504 HD22 LEU 27 HD22 LEU 27 -15.450 -2.804 2.337 505 HD23 LEU 27 HD23 LEU 27 -14.278 -4.055 2.750 506 H LYS 28 H LYS 28 -14.035 -2.054 -3.349 507 HA LYS 28 HA LYS 28 -15.688 0.161 -3.889 508 HB2 LYS 28 HB3 LYS 28 -13.989 -1.583 -5.676 509 HB3 LYS 28 HB2 LYS 28 -14.896 -0.212 -6.292 510 HG2 LYS 28 HG3 LYS 28 -12.827 -0.006 -4.121 511 HG3 LYS 28 HG2 LYS 28 -12.486 0.225 -5.836 512 HD2 LYS 28 HD3 LYS 28 -14.225 2.024 -5.863 513 HD3 LYS 28 HD2 LYS 28 -14.331 1.858 -4.093 514 HE2 LYS 28 HE3 LYS 28 -11.971 2.418 -3.894 515 HE3 LYS 28 HE2 LYS 28 -11.830 2.532 -5.644 516 HZ1 LYS 28 HZ1 LYS 28 -13.528 4.267 -3.937 517 HZ2 LYS 28 HZ2 LYS 28 -13.372 4.381 -5.617 518 HZ3 LYS 28 HZ3 LYS 28 -12.046 4.703 -4.623 519 H LYS 29 H LYS 29 -15.703 -3.180 -5.153 520 HA LYS 29 HA LYS 29 -18.064 -2.877 -6.671 521 HB2 LYS 29 HB3 LYS 29 -16.683 -5.305 -5.523 522 HB3 LYS 29 HB2 LYS 29 -18.178 -5.449 -6.428 523 HG2 LYS 29 HG3 LYS 29 -16.193 -5.940 -7.775 524 HG3 LYS 29 HG2 LYS 29 -17.101 -4.584 -8.427 525 HD2 LYS 29 HD3 LYS 29 -15.488 -3.056 -7.301 526 HD3 LYS 29 HD2 LYS 29 -14.562 -4.469 -6.796 527 HE2 LYS 29 HE3 LYS 29 -13.579 -3.497 -8.785 528 HE3 LYS 29 HE2 LYS 29 -14.250 -5.084 -9.156 529 HZ1 LYS 29 HZ1 LYS 29 -14.770 -3.425 -10.853 530 HZ2 LYS 29 HZ2 LYS 29 -15.598 -2.497 -9.708 531 HZ3 LYS 29 HZ3 LYS 29 -16.171 -4.034 -10.129 532 H LEU 30 H LEU 30 -17.554 -3.443 -3.295 533 HA LEU 30 HA LEU 30 -20.190 -4.396 -2.738 534 HB2 LEU 30 HB3 LEU 30 -17.876 -3.449 -1.095 535 HB3 LEU 30 HB2 LEU 30 -19.448 -3.546 -0.337 536 HG LEU 30 HG LEU 30 -19.487 -5.881 -0.400 537 HD11 LEU 30 HD11 LEU 30 -19.019 -6.167 -2.785 538 HD12 LEU 30 HD12 LEU 30 -18.039 -7.260 -1.807 539 HD13 LEU 30 HD13 LEU 30 -17.317 -5.807 -2.499 540 HD21 LEU 30 HD21 LEU 30 -17.759 -5.031 1.110 541 HD22 LEU 30 HD22 LEU 30 -16.565 -5.190 -0.178 542 HD23 LEU 30 HD23 LEU 30 -17.356 -6.625 0.472 543 H VAL 31 H VAL 31 -18.600 -1.242 -2.132 544 HA VAL 31 HA VAL 31 -20.957 0.111 -1.403 545 HB VAL 31 HB VAL 31 -18.506 1.310 -2.708 546 HG11 VAL 31 HG11 VAL 31 -20.410 2.830 -2.696 547 HG12 VAL 31 HG12 VAL 31 -19.167 3.372 -1.569 548 HG13 VAL 31 HG13 VAL 31 -20.616 2.573 -0.962 549 HG21 VAL 31 HG21 VAL 31 -17.877 0.028 -0.751 550 HG22 VAL 31 HG22 VAL 31 -19.107 0.853 0.208 551 HG23 VAL 31 HG23 VAL 31 -17.731 1.755 -0.426 552 H GLY 32 H GLY 32 -19.620 -0.656 -4.547 553 HA2 GLY 32 HA3 GLY 32 -20.783 -0.551 -6.588 554 HA3 GLY 32 HA2 GLY 32 -21.956 0.528 -5.839 555 H GLU 33 H GLU 33 -18.464 0.797 -5.734 556 HA GLU 33 HA GLU 33 -18.724 3.482 -6.893 557 HB2 GLU 33 HB3 GLU 33 -17.882 3.254 -4.530 558 HB3 GLU 33 HB2 GLU 33 -16.490 2.393 -5.168 559 HG2 GLU 33 HG3 GLU 33 -16.037 4.761 -4.680 560 HG3 GLU 33 HG2 GLU 33 -15.764 4.335 -6.368 Start of MODEL 14 1 H1 GLY 1 H1 GLY 1 25.743 5.885 -4.273 2 H2 GLY 1 H2 GLY 1 26.649 5.675 -2.861 3 H3 GLY 1 H3 GLY 1 25.001 6.040 -2.763 4 HA2 GLY 1 HA2 GLY 1 26.140 3.550 -3.896 5 HA3 GLY 1 HA3 GLY 1 25.425 3.702 -2.298 6 H SER 2 H SER 2 24.222 1.843 -3.547 7 HA SER 2 HA SER 2 22.149 2.825 -5.323 8 HB2 SER 2 HB3 SER 2 22.397 0.035 -4.216 9 HB3 SER 2 HB2 SER 2 21.605 0.547 -5.705 10 HG SER 2 HG SER 2 23.943 1.359 -6.134 11 H MET 3 H MET 3 22.516 2.953 -2.096 12 HA MET 3 HA MET 3 20.121 1.944 -1.042 13 HB2 MET 3 HB3 MET 3 21.712 4.347 -0.129 14 HB3 MET 3 HB2 MET 3 20.441 3.569 0.799 15 HG2 MET 3 HG3 MET 3 21.763 1.502 0.842 16 HG3 MET 3 HG2 MET 3 23.050 2.327 -0.036 17 HE1 MET 3 HE1 MET 3 23.585 0.824 2.686 18 HE2 MET 3 HE2 MET 3 24.594 1.998 3.534 19 HE3 MET 3 HE3 MET 3 24.831 1.713 1.811 20 H LYS 4 H LYS 4 20.889 4.957 -2.657 21 HA LYS 4 HA LYS 4 18.508 6.345 -2.199 22 HB2 LYS 4 HB3 LYS 4 20.331 6.410 -4.608 23 HB3 LYS 4 HB2 LYS 4 19.054 7.573 -4.292 24 HG2 LYS 4 HG3 LYS 4 20.198 8.209 -2.199 25 HG3 LYS 4 HG2 LYS 4 21.503 7.096 -2.606 26 HD2 LYS 4 HD3 LYS 4 22.095 9.374 -3.230 27 HD3 LYS 4 HD2 LYS 4 21.930 8.362 -4.665 28 HE2 LYS 4 HE3 LYS 4 19.689 9.258 -5.047 29 HE3 LYS 4 HE2 LYS 4 19.833 10.251 -3.597 30 HZ1 LYS 4 HZ1 LYS 4 21.698 11.402 -4.636 31 HZ2 LYS 4 HZ2 LYS 4 20.296 11.538 -5.570 32 HZ3 LYS 4 HZ3 LYS 4 21.515 10.464 -6.032 33 H GLN 5 H GLN 5 19.285 3.796 -4.491 34 HA GLN 5 HA GLN 5 17.004 4.160 -6.152 35 HB2 GLN 5 HB3 GLN 5 18.592 1.624 -5.718 36 HB3 GLN 5 HB2 GLN 5 17.554 1.990 -7.086 37 HG2 GLN 5 HG3 GLN 5 20.123 3.382 -6.376 38 HG3 GLN 5 HG2 GLN 5 19.883 2.226 -7.683 39 HE21 GLN 5 HE21 GLN 5 17.265 3.310 -8.394 40 HE22 GLN 5 HE22 GLN 5 17.578 4.797 -9.217 41 H LEU 6 H LEU 6 17.751 2.111 -3.392 42 HA LEU 6 HA LEU 6 15.222 0.775 -3.406 43 HB2 LEU 6 HB3 LEU 6 17.291 0.986 -1.211 44 HB3 LEU 6 HB2 LEU 6 15.899 -0.078 -1.184 45 HG LEU 6 HG LEU 6 18.211 -0.246 -3.124 46 HD11 LEU 6 HD11 LEU 6 18.784 -0.959 -0.863 47 HD12 LEU 6 HD12 LEU 6 18.729 -2.324 -1.977 48 HD13 LEU 6 HD13 LEU 6 17.398 -2.050 -0.854 49 HD21 LEU 6 HD21 LEU 6 15.755 -1.969 -2.833 50 HD22 LEU 6 HD22 LEU 6 17.151 -2.348 -3.840 51 HD23 LEU 6 HD23 LEU 6 16.162 -0.936 -4.203 52 H GLU 7 H GLU 7 16.550 3.614 -1.864 53 HA GLU 7 HA GLU 7 14.501 3.941 0.050 54 HB2 GLU 7 HB3 GLU 7 16.837 4.960 0.074 55 HB3 GLU 7 HB2 GLU 7 16.241 6.134 -1.087 56 HG2 GLU 7 HG3 GLU 7 14.536 6.847 0.549 57 HG3 GLU 7 HG2 GLU 7 15.243 5.714 1.726 58 H ASP 8 H ASP 8 14.970 5.202 -3.234 59 HA ASP 8 HA ASP 8 12.767 6.924 -3.325 60 HB2 ASP 8 HB3 ASP 8 14.472 5.580 -5.289 61 HB3 ASP 8 HB2 ASP 8 12.825 5.817 -5.859 62 H LYS 9 H LYS 9 12.998 3.474 -4.013 63 HA LYS 9 HA LYS 9 10.239 3.129 -4.662 64 HB2 LYS 9 HB3 LYS 9 11.787 0.863 -3.477 65 HB3 LYS 9 HB2 LYS 9 10.597 0.853 -4.772 66 HG2 LYS 9 HG3 LYS 9 12.265 2.086 -6.198 67 HG3 LYS 9 HG2 LYS 9 13.460 1.741 -4.946 68 HD2 LYS 9 HD3 LYS 9 11.859 -0.301 -6.485 69 HD3 LYS 9 HD2 LYS 9 13.556 0.093 -6.748 70 HE2 LYS 9 HE3 LYS 9 14.093 -0.683 -4.500 71 HE3 LYS 9 HE2 LYS 9 12.392 -1.041 -4.210 72 HZ1 LYS 9 HZ1 LYS 9 12.463 -2.673 -5.980 73 HZ2 LYS 9 HZ2 LYS 9 13.626 -3.027 -4.808 74 HZ3 LYS 9 HZ3 LYS 9 14.094 -2.327 -6.274 75 H VAL 10 H VAL 10 12.045 2.698 -1.645 76 HA VAL 10 HA VAL 10 9.986 1.450 -0.173 77 HB VAL 10 HB VAL 10 12.463 1.649 0.481 78 HG11 VAL 10 HG11 VAL 10 12.577 4.114 0.376 79 HG12 VAL 10 HG12 VAL 10 13.101 3.457 1.926 80 HG13 VAL 10 HG13 VAL 10 11.505 4.193 1.772 81 HG21 VAL 10 HG21 VAL 10 11.926 1.492 2.876 82 HG22 VAL 10 HG22 VAL 10 10.837 0.541 1.872 83 HG23 VAL 10 HG23 VAL 10 10.302 2.084 2.533 84 H GLU 11 H GLU 11 10.749 4.708 -0.978 85 HA GLU 11 HA GLU 11 8.754 5.903 0.727 86 HB2 GLU 11 HB3 GLU 11 10.342 7.016 -1.580 87 HB3 GLU 11 HB2 GLU 11 9.179 7.962 -0.663 88 HG2 GLU 11 HG3 GLU 11 10.511 7.395 1.393 89 HG3 GLU 11 HG2 GLU 11 11.739 6.738 0.313 90 H GLU 12 H GLU 12 8.963 5.368 -2.815 91 HA GLU 12 HA GLU 12 6.518 6.452 -3.543 92 HB2 GLU 12 HB3 GLU 12 8.268 5.700 -5.113 93 HB3 GLU 12 HB2 GLU 12 7.894 4.028 -4.722 94 HG2 GLU 12 HG3 GLU 12 6.869 4.544 -6.798 95 HG3 GLU 12 HG2 GLU 12 5.596 4.410 -5.586 96 H LEU 13 H LEU 13 7.172 3.016 -3.049 97 HA LEU 13 HA LEU 13 4.602 2.034 -3.085 98 HB2 LEU 13 HB3 LEU 13 6.934 1.044 -1.447 99 HB3 LEU 13 HB2 LEU 13 5.481 0.125 -1.792 100 HG LEU 13 HG LEU 13 7.442 1.095 -3.875 101 HD11 LEU 13 HD11 LEU 13 8.082 -1.259 -4.061 102 HD12 LEU 13 HD12 LEU 13 7.026 -1.649 -2.705 103 HD13 LEU 13 HD13 LEU 13 8.430 -0.613 -2.458 104 HD21 LEU 13 HD21 LEU 13 5.060 -0.744 -4.084 105 HD22 LEU 13 HD22 LEU 13 6.204 -0.392 -5.378 106 HD23 LEU 13 HD23 LEU 13 5.176 0.889 -4.740 107 H LEU 14 H LEU 14 6.405 3.238 -0.256 108 HA LEU 14 HA LEU 14 4.444 2.627 1.653 109 HB2 LEU 14 HB3 LEU 14 6.712 3.117 2.321 110 HB3 LEU 14 HB2 LEU 14 6.598 4.742 1.684 111 HG LEU 14 HG LEU 14 4.861 5.244 3.400 112 HD11 LEU 14 HD11 LEU 14 5.628 2.533 4.471 113 HD12 LEU 14 HD12 LEU 14 4.058 2.990 3.815 114 HD13 LEU 14 HD13 LEU 14 4.635 3.726 5.307 115 HD21 LEU 14 HD21 LEU 14 7.523 4.283 4.437 116 HD22 LEU 14 HD22 LEU 14 6.434 5.393 5.268 117 HD23 LEU 14 HD23 LEU 14 7.184 5.869 3.746 118 H SER 15 H SER 15 5.015 5.598 -0.244 119 HA SER 15 HA SER 15 2.942 7.111 0.873 120 HB2 SER 15 HB3 SER 15 4.689 7.993 -0.680 121 HB3 SER 15 HB2 SER 15 3.882 7.160 -2.006 122 HG SER 15 HG SER 15 2.868 9.017 -2.134 123 H LYS 16 H LYS 16 2.933 4.823 -1.844 124 HA LYS 16 HA LYS 16 0.185 5.134 -2.462 125 HB2 LYS 16 HB3 LYS 16 1.820 4.161 -4.037 126 HB3 LYS 16 HB2 LYS 16 2.005 2.771 -2.977 127 HG2 LYS 16 HG3 LYS 16 -0.364 2.210 -3.328 128 HG3 LYS 16 HG2 LYS 16 -0.505 3.581 -4.428 129 HD2 LYS 16 HD3 LYS 16 1.073 2.595 -5.954 130 HD3 LYS 16 HD2 LYS 16 1.429 1.295 -4.815 131 HE2 LYS 16 HE3 LYS 16 -0.937 0.560 -5.000 132 HE3 LYS 16 HE2 LYS 16 -1.188 1.786 -6.240 133 HZ1 LYS 16 HZ1 LYS 16 -0.718 -0.509 -7.061 134 HZ2 LYS 16 HZ2 LYS 16 0.861 -0.338 -6.472 135 HZ3 LYS 16 HZ3 LYS 16 0.298 0.696 -7.684 136 H ASN 17 H ASN 17 1.974 2.881 -0.422 137 HA ASN 17 HA ASN 17 -0.041 1.181 0.411 138 HB2 ASN 17 HB3 ASN 17 2.344 0.899 0.980 139 HB3 ASN 17 HB2 ASN 17 2.257 2.299 2.037 140 HD21 ASN 17 HD21 ASN 17 1.508 -1.083 1.707 141 HD22 ASN 17 HD22 ASN 17 0.986 -1.314 3.333 142 H TYR 18 H TYR 18 0.990 4.234 1.926 143 HA TYR 18 HA TYR 18 -0.887 4.311 3.958 144 HB2 TYR 18 HB3 TYR 18 1.163 5.896 3.198 145 HB3 TYR 18 HB2 TYR 18 -0.204 6.899 2.717 146 HD1 TYR 18 HD1 TYR 18 1.555 5.357 5.519 147 HD2 TYR 18 HD2 TYR 18 -1.705 7.834 4.379 148 HE1 TYR 18 HE1 TYR 18 1.286 6.058 7.847 149 HE2 TYR 18 HE2 TYR 18 -1.984 8.548 6.714 150 HH TYR 18 HH TYR 18 0.357 7.906 9.120 151 H HIS 19 H HIS 19 -1.088 5.585 0.659 152 HA HIS 19 HA HIS 19 -3.612 6.797 0.916 153 HB2 HIS 19 HB3 HIS 19 -2.017 5.837 -1.435 154 HB3 HIS 19 HB2 HIS 19 -3.665 6.410 -1.660 155 HD1 HIS 19 HD1 HIS 19 -3.690 8.760 -2.375 156 HD2 HIS 19 HD2 HIS 19 -0.531 7.994 0.208 157 HE1 HIS 19 HE1 HIS 19 -2.484 10.950 -2.120 158 HE2 HIS 19 HE2 HIS 19 -0.683 10.499 -0.414 159 H LEU 20 H LEU 20 -2.693 3.543 -0.173 160 HA LEU 20 HA LEU 20 -5.290 2.679 -0.814 161 HB2 LEU 20 HB3 LEU 20 -2.946 1.039 0.143 162 HB3 LEU 20 HB2 LEU 20 -4.408 0.395 -0.573 163 HG LEU 20 HG LEU 20 -2.454 2.209 -1.985 164 HD11 LEU 20 HD11 LEU 20 -1.879 0.219 -3.272 165 HD12 LEU 20 HD12 LEU 20 -2.945 -0.747 -2.254 166 HD13 LEU 20 HD13 LEU 20 -1.510 0.011 -1.561 167 HD21 LEU 20 HD21 LEU 20 -4.723 2.495 -2.805 168 HD22 LEU 20 HD22 LEU 20 -4.895 0.750 -2.985 169 HD23 LEU 20 HD23 LEU 20 -3.744 1.630 -3.990 170 H GLU 21 H GLU 21 -3.452 2.508 2.212 171 HA GLU 21 HA GLU 21 -5.287 0.948 3.649 172 HB2 GLU 21 HB3 GLU 21 -2.839 1.860 4.226 173 HB3 GLU 21 HB2 GLU 21 -3.773 3.086 5.075 174 HG2 GLU 21 HG3 GLU 21 -4.957 1.223 6.266 175 HG3 GLU 21 HG2 GLU 21 -3.777 0.119 5.556 176 H ASN 22 H ASN 22 -5.054 4.424 3.133 177 HA ASN 22 HA ASN 22 -7.113 5.151 4.939 178 HB2 ASN 22 HB3 ASN 22 -5.945 6.600 2.559 179 HB3 ASN 22 HB2 ASN 22 -7.161 7.304 3.620 180 HD21 ASN 22 HD21 ASN 22 -4.490 8.244 3.120 181 HD22 ASN 22 HD22 ASN 22 -3.673 8.238 4.640 182 H GLU 23 H GLU 23 -7.084 4.300 1.523 183 HA GLU 23 HA GLU 23 -9.824 4.957 1.092 184 HB2 GLU 23 HB3 GLU 23 -7.932 3.201 -0.472 185 HB3 GLU 23 HB2 GLU 23 -9.569 3.581 -0.990 186 HG2 GLU 23 HG3 GLU 23 -7.291 5.505 -0.608 187 HG3 GLU 23 HG2 GLU 23 -8.043 5.021 -2.127 188 H VAL 24 H VAL 24 -8.102 2.022 2.031 189 HA VAL 24 HA VAL 24 -10.202 0.198 1.885 190 HB VAL 24 HB VAL 24 -7.991 0.330 3.955 191 HG11 VAL 24 HG11 VAL 24 -8.454 -2.052 4.335 192 HG12 VAL 24 HG12 VAL 24 -9.845 -1.946 3.255 193 HG13 VAL 24 HG13 VAL 24 -9.832 -1.038 4.768 194 HG21 VAL 24 HG21 VAL 24 -8.238 -1.243 1.392 195 HG22 VAL 24 HG22 VAL 24 -6.921 -1.381 2.558 196 HG23 VAL 24 HG23 VAL 24 -7.165 0.127 1.675 197 H ALA 25 H ALA 25 -9.176 2.119 4.727 198 HA ALA 25 HA ALA 25 -11.339 1.531 6.389 199 HB1 ALA 25 HB1 ALA 25 -10.745 3.554 7.622 200 HB2 ALA 25 HB2 ALA 25 -9.737 4.081 6.275 201 HB3 ALA 25 HB3 ALA 25 -9.311 2.629 7.178 202 H ARG 26 H ARG 26 -10.970 4.121 4.005 203 HA ARG 26 HA ARG 26 -13.287 5.568 4.422 204 HB2 ARG 26 HB3 ARG 26 -11.531 6.252 2.877 205 HB3 ARG 26 HB2 ARG 26 -11.888 4.890 1.829 206 HG2 ARG 26 HG3 ARG 26 -14.143 5.859 1.439 207 HG3 ARG 26 HG2 ARG 26 -13.641 7.275 2.370 208 HD2 ARG 26 HD2 ARG 26 -11.770 7.602 0.787 209 HD3 ARG 26 HD1 ARG 26 -12.368 6.246 -0.166 210 HE ARG 26 HE ARG 26 -14.404 8.173 0.208 211 HH11 ARG 26 HH11 ARG 26 -11.474 7.574 -1.632 212 HH12 ARG 26 HH12 ARG 26 -11.934 8.646 -2.922 213 HH21 ARG 26 HH21 ARG 26 -15.003 9.562 -1.488 214 HH22 ARG 26 HH22 ARG 26 -13.943 9.766 -2.846 215 H LEU 27 H LEU 27 -12.821 2.875 2.153 216 HA LEU 27 HA LEU 27 -15.512 2.779 1.329 217 HB2 LEU 27 HB3 LEU 27 -13.310 0.725 1.168 218 HB3 LEU 27 HB2 LEU 27 -14.864 0.567 0.366 219 HG LEU 27 HG LEU 27 -12.986 2.864 -0.131 220 HD11 LEU 27 HD11 LEU 27 -13.292 0.319 -1.704 221 HD12 LEU 27 HD12 LEU 27 -11.890 0.781 -0.739 222 HD13 LEU 27 HD13 LEU 27 -12.323 1.717 -2.169 223 HD21 LEU 27 HD21 LEU 27 -14.324 3.137 -2.168 224 HD22 LEU 27 HD22 LEU 27 -15.303 3.303 -0.713 225 HD23 LEU 27 HD23 LEU 27 -15.366 1.812 -1.651 226 H LYS 28 H LYS 28 -13.878 1.281 4.042 227 HA LYS 28 HA LYS 28 -15.844 -0.685 4.581 228 HB2 LYS 28 HB3 LYS 28 -13.770 0.636 6.330 229 HB3 LYS 28 HB2 LYS 28 -14.874 -0.583 6.944 230 HG2 LYS 28 HG3 LYS 28 -13.980 -2.196 5.319 231 HG3 LYS 28 HG2 LYS 28 -12.858 -0.962 4.739 232 HD2 LYS 28 HD3 LYS 28 -11.753 -0.874 6.862 233 HD3 LYS 28 HD2 LYS 28 -12.986 -1.927 7.596 234 HE2 LYS 28 HE3 LYS 28 -12.292 -3.737 6.075 235 HE3 LYS 28 HE2 LYS 28 -11.034 -2.691 5.420 236 HZ1 LYS 28 HZ1 LYS 28 -11.238 -3.588 8.241 237 HZ2 LYS 28 HZ2 LYS 28 -10.029 -2.589 7.615 238 HZ3 LYS 28 HZ3 LYS 28 -10.157 -4.191 7.091 239 H LYS 29 H LYS 29 -15.291 2.567 5.942 240 HA LYS 29 HA LYS 29 -17.683 2.493 7.487 241 HB2 LYS 29 HB3 LYS 29 -17.235 4.771 8.047 242 HB3 LYS 29 HB2 LYS 29 -15.714 3.893 8.055 243 HG2 LYS 29 HG3 LYS 29 -15.218 4.803 5.815 244 HG3 LYS 29 HG2 LYS 29 -16.707 5.750 5.907 245 HD2 LYS 29 HD3 LYS 29 -15.825 6.743 8.031 246 HD3 LYS 29 HD2 LYS 29 -14.291 5.942 7.694 247 HE2 LYS 29 HE3 LYS 29 -14.128 8.194 6.920 248 HE3 LYS 29 HE2 LYS 29 -14.224 7.142 5.510 249 HZ1 LYS 29 HZ1 LYS 29 -15.630 9.061 5.228 250 HZ2 LYS 29 HZ2 LYS 29 -16.445 8.732 6.667 251 HZ3 LYS 29 HZ3 LYS 29 -16.596 7.679 5.356 252 H LEU 30 H LEU 30 -17.261 2.724 4.211 253 HA LEU 30 HA LEU 30 -19.708 4.270 3.818 254 HB2 LEU 30 HB3 LEU 30 -17.787 2.989 1.878 255 HB3 LEU 30 HB2 LEU 30 -19.282 3.756 1.381 256 HG LEU 30 HG LEU 30 -17.007 5.152 2.796 257 HD11 LEU 30 HD11 LEU 30 -17.881 5.219 -0.090 258 HD12 LEU 30 HD12 LEU 30 -16.386 4.523 0.538 259 HD13 LEU 30 HD13 LEU 30 -16.657 6.262 0.634 260 HD21 LEU 30 HD21 LEU 30 -18.248 7.196 2.206 261 HD22 LEU 30 HD22 LEU 30 -19.146 6.161 3.316 262 HD23 LEU 30 HD23 LEU 30 -19.572 6.197 1.605 263 H VAL 31 H VAL 31 -18.493 1.028 2.898 264 HA VAL 31 HA VAL 31 -21.039 0.084 2.121 265 HB VAL 31 HB VAL 31 -18.877 -0.831 1.304 266 HG11 VAL 31 HG11 VAL 31 -17.644 -0.946 3.382 267 HG12 VAL 31 HG12 VAL 31 -17.722 -2.540 2.632 268 HG13 VAL 31 HG13 VAL 31 -18.763 -2.159 4.004 269 HG21 VAL 31 HG21 VAL 31 -19.610 -3.175 1.242 270 HG22 VAL 31 HG22 VAL 31 -20.924 -2.044 0.920 271 HG23 VAL 31 HG23 VAL 31 -20.792 -2.818 2.499 272 H GLY 32 H GLY 32 -19.396 0.059 5.245 273 HA2 GLY 32 HA3 GLY 32 -21.427 -1.812 6.260 274 HA3 GLY 32 HA2 GLY 32 -19.885 -1.469 7.028 275 H GLU 33 H GLU 33 -21.670 1.211 5.816 276 HA GLU 33 HA GLU 33 -22.508 1.845 8.565 277 HB2 GLU 33 HB3 GLU 33 -20.537 3.166 7.664 278 HB3 GLU 33 HB2 GLU 33 -21.647 3.864 6.495 279 HG2 GLU 33 HG3 GLU 33 -21.287 5.334 8.404 280 HG3 GLU 33 HG2 GLU 33 -22.969 4.823 8.277 281 H1 GLY 1 H1 GLY 1 25.900 -5.988 4.459 282 H2 GLY 1 H2 GLY 1 26.768 -5.759 3.027 283 H3 GLY 1 H3 GLY 1 25.123 -6.144 2.968 284 HA2 GLY 1 HA2 GLY 1 26.258 -3.647 4.089 285 HA3 GLY 1 HA3 GLY 1 25.510 -3.797 2.506 286 H SER 2 H SER 2 24.305 -1.963 3.781 287 HA SER 2 HA SER 2 22.275 -2.975 5.587 288 HB2 SER 2 HB3 SER 2 22.463 -0.183 4.470 289 HB3 SER 2 HB2 SER 2 21.696 -0.704 5.967 290 HG SER 2 HG SER 2 24.057 -1.482 6.359 291 H MET 3 H MET 3 22.591 -3.081 2.346 292 HA MET 3 HA MET 3 20.162 -2.120 1.333 293 HB2 MET 3 HB3 MET 3 21.777 -4.497 0.400 294 HB3 MET 3 HB2 MET 3 20.478 -3.742 -0.510 295 HG2 MET 3 HG3 MET 3 21.769 -1.654 -0.581 296 HG3 MET 3 HG2 MET 3 23.081 -2.460 0.276 297 HE1 MET 3 HE1 MET 3 23.555 -0.952 -2.447 298 HE2 MET 3 HE2 MET 3 24.562 -2.109 -3.316 299 HE3 MET 3 HE3 MET 3 24.828 -1.827 -1.596 300 H LYS 4 H LYS 4 21.003 -5.126 2.929 301 HA LYS 4 HA LYS 4 18.633 -6.548 2.511 302 HB2 LYS 4 HB3 LYS 4 20.499 -6.588 4.886 303 HB3 LYS 4 HB2 LYS 4 19.233 -7.768 4.594 304 HG2 LYS 4 HG3 LYS 4 20.342 -8.394 2.482 305 HG3 LYS 4 HG2 LYS 4 21.640 -7.261 2.863 306 HD2 LYS 4 HD3 LYS 4 22.278 -9.527 3.485 307 HD3 LYS 4 HD2 LYS 4 22.120 -8.516 4.921 308 HE2 LYS 4 HE3 LYS 4 19.904 -9.446 5.339 309 HE3 LYS 4 HE2 LYS 4 20.033 -10.431 3.883 310 HZ1 LYS 4 HZ1 LYS 4 21.935 -11.560 4.886 311 HZ2 LYS 4 HZ2 LYS 4 20.546 -11.726 5.834 312 HZ3 LYS 4 HZ3 LYS 4 21.755 -10.639 6.292 313 H GLN 5 H GLN 5 19.410 -3.985 4.788 314 HA GLN 5 HA GLN 5 17.160 -4.388 6.488 315 HB2 GLN 5 HB3 GLN 5 18.709 -1.831 6.034 316 HB3 GLN 5 HB2 GLN 5 17.692 -2.210 7.417 317 HG2 GLN 5 HG3 GLN 5 20.272 -3.569 6.672 318 HG3 GLN 5 HG2 GLN 5 20.036 -2.416 7.982 319 HE21 GLN 5 HE21 GLN 5 17.449 -3.534 8.739 320 HE22 GLN 5 HE22 GLN 5 17.793 -5.021 9.548 321 H LEU 6 H LEU 6 17.834 -2.325 3.722 322 HA LEU 6 HA LEU 6 15.285 -1.028 3.779 323 HB2 LEU 6 HB3 LEU 6 17.320 -1.205 1.549 324 HB3 LEU 6 HB2 LEU 6 15.914 -0.162 1.546 325 HG LEU 6 HG LEU 6 18.256 0.040 3.448 326 HD11 LEU 6 HD11 LEU 6 18.780 0.763 1.179 327 HD12 LEU 6 HD12 LEU 6 18.722 2.128 2.296 328 HD13 LEU 6 HD13 LEU 6 17.377 1.833 1.194 329 HD21 LEU 6 HD21 LEU 6 15.770 1.725 3.199 330 HD22 LEU 6 HD22 LEU 6 17.176 2.126 4.185 331 HD23 LEU 6 HD23 LEU 6 16.214 0.698 4.562 332 H GLU 7 H GLU 7 16.634 -3.843 2.205 333 HA GLU 7 HA GLU 7 14.557 -4.198 0.330 334 HB2 GLU 7 HB3 GLU 7 16.903 -5.187 0.262 335 HB3 GLU 7 HB2 GLU 7 16.344 -6.365 1.438 336 HG2 GLU 7 HG3 GLU 7 14.629 -7.120 -0.166 337 HG3 GLU 7 HG2 GLU 7 15.283 -5.972 -1.358 338 H ASP 8 H ASP 8 15.095 -5.466 3.603 339 HA ASP 8 HA ASP 8 12.910 -7.203 3.725 340 HB2 ASP 8 HB3 ASP 8 14.636 -5.854 5.662 341 HB3 ASP 8 HB2 ASP 8 12.999 -6.098 6.259 342 H LYS 9 H LYS 9 13.110 -3.754 4.418 343 HA LYS 9 HA LYS 9 10.357 -3.451 5.111 344 HB2 LYS 9 HB3 LYS 9 11.854 -1.162 3.906 345 HB3 LYS 9 HB2 LYS 9 10.685 -1.170 5.219 346 HG2 LYS 9 HG3 LYS 9 12.394 -2.384 6.616 347 HG3 LYS 9 HG2 LYS 9 13.563 -2.020 5.347 348 HD2 LYS 9 HD3 LYS 9 11.957 -0.007 6.914 349 HD3 LYS 9 HD2 LYS 9 13.665 -0.374 7.149 350 HE2 LYS 9 HE3 LYS 9 14.148 0.406 4.888 351 HE3 LYS 9 HE2 LYS 9 12.438 0.747 4.634 352 HZ1 LYS 9 HZ1 LYS 9 12.533 2.371 6.414 353 HZ2 LYS 9 HZ2 LYS 9 13.652 2.744 5.207 354 HZ3 LYS 9 HZ3 LYS 9 14.178 2.051 6.657 355 H VAL 10 H VAL 10 12.109 -2.991 2.065 356 HA VAL 10 HA VAL 10 10.008 -1.773 0.626 357 HB VAL 10 HB VAL 10 12.478 -1.937 -0.065 358 HG11 VAL 10 HG11 VAL 10 12.629 -4.401 0.034 359 HG12 VAL 10 HG12 VAL 10 13.118 -3.735 -1.524 360 HG13 VAL 10 HG13 VAL 10 11.536 -4.493 -1.347 361 HG21 VAL 10 HG21 VAL 10 11.903 -1.786 -2.451 362 HG22 VAL 10 HG22 VAL 10 10.813 -0.851 -1.429 363 HG23 VAL 10 HG23 VAL 10 10.293 -2.402 -2.083 364 H GLU 11 H GLU 11 10.831 -5.019 1.425 365 HA GLU 11 HA GLU 11 8.833 -6.246 -0.257 366 HB2 GLU 11 HB3 GLU 11 10.471 -7.336 2.026 367 HB3 GLU 11 HB2 GLU 11 9.310 -8.299 1.125 368 HG2 GLU 11 HG3 GLU 11 10.604 -7.711 -0.950 369 HG3 GLU 11 HG2 GLU 11 11.838 -7.033 0.113 370 H GLU 12 H GLU 12 9.090 -5.722 3.284 371 HA GLU 12 HA GLU 12 6.668 -6.829 4.047 372 HB2 GLU 12 HB3 GLU 12 8.436 -6.049 5.589 373 HB3 GLU 12 HB2 GLU 12 8.019 -4.385 5.210 374 HG2 GLU 12 HG3 GLU 12 7.042 -4.935 7.304 375 HG3 GLU 12 HG2 GLU 12 5.745 -4.814 6.116 376 H LEU 13 H LEU 13 7.268 -3.381 3.548 377 HA LEU 13 HA LEU 13 4.683 -2.439 3.624 378 HB2 LEU 13 HB3 LEU 13 6.974 -1.412 1.953 379 HB3 LEU 13 HB2 LEU 13 5.513 -0.516 2.321 380 HG LEU 13 HG LEU 13 7.520 -1.461 4.370 381 HD11 LEU 13 HD11 LEU 13 8.126 0.903 4.555 382 HD12 LEU 13 HD12 LEU 13 7.046 1.279 3.213 383 HD13 LEU 13 HD13 LEU 13 8.463 0.265 2.945 384 HD21 LEU 13 HD21 LEU 13 5.113 0.340 4.619 385 HD22 LEU 13 HD22 LEU 13 6.285 0.010 5.895 386 HD23 LEU 13 HD23 LEU 13 5.267 -1.289 5.274 387 H LEU 14 H LEU 14 6.459 -3.618 0.768 388 HA LEU 14 HA LEU 14 4.460 -3.025 -1.109 389 HB2 LEU 14 HB3 LEU 14 6.720 -3.491 -1.818 390 HB3 LEU 14 HB2 LEU 14 6.636 -5.116 -1.179 391 HG LEU 14 HG LEU 14 4.879 -5.642 -2.867 392 HD11 LEU 14 HD11 LEU 14 5.591 -2.919 -3.946 393 HD12 LEU 14 HD12 LEU 14 4.038 -3.398 -3.265 394 HD13 LEU 14 HD13 LEU 14 4.601 -4.123 -4.769 395 HD21 LEU 14 HD21 LEU 14 7.509 -4.640 -3.948 396 HD22 LEU 14 HD22 LEU 14 6.423 -5.765 -4.762 397 HD23 LEU 14 HD23 LEU 14 7.207 -6.232 -3.253 398 H SER 15 H SER 15 5.103 -5.995 0.769 399 HA SER 15 HA SER 15 3.037 -7.536 -0.313 400 HB2 SER 15 HB3 SER 15 4.827 -8.380 1.221 401 HB3 SER 15 HB2 SER 15 4.007 -7.575 2.557 402 HG SER 15 HG SER 15 3.033 -9.453 2.678 403 H LYS 16 H LYS 16 3.034 -5.257 2.410 404 HA LYS 16 HA LYS 16 0.301 -5.603 3.070 405 HB2 LYS 16 HB3 LYS 16 1.945 -4.602 4.618 406 HB3 LYS 16 HB2 LYS 16 2.095 -3.211 3.557 407 HG2 LYS 16 HG3 LYS 16 -0.276 -2.685 3.945 408 HG3 LYS 16 HG2 LYS 16 -0.379 -4.061 5.045 409 HD2 LYS 16 HD3 LYS 16 1.208 -3.052 6.545 410 HD3 LYS 16 HD2 LYS 16 1.526 -1.745 5.402 411 HE2 LYS 16 HE3 LYS 16 -0.850 -1.052 5.627 412 HE3 LYS 16 HE2 LYS 16 -1.058 -2.280 6.872 413 HZ1 LYS 16 HZ1 LYS 16 -0.614 0.018 7.685 414 HZ2 LYS 16 HZ2 LYS 16 0.954 -0.119 7.063 415 HZ3 LYS 16 HZ3 LYS 16 0.440 -1.164 8.286 416 H ASN 17 H ASN 17 2.024 -3.324 0.998 417 HA ASN 17 HA ASN 17 -0.031 -1.650 0.202 418 HB2 ASN 17 HB3 ASN 17 2.340 -1.330 -0.408 419 HB3 ASN 17 HB2 ASN 17 2.257 -2.732 -1.463 420 HD21 ASN 17 HD21 ASN 17 1.469 0.637 -1.121 421 HD22 ASN 17 HD22 ASN 17 0.911 0.863 -2.736 422 H TYR 18 H TYR 18 1.025 -4.685 -1.329 423 HA TYR 18 HA TYR 18 -0.883 -4.792 -3.331 424 HB2 TYR 18 HB3 TYR 18 1.206 -6.344 -2.604 425 HB3 TYR 18 HB2 TYR 18 -0.137 -7.369 -2.100 426 HD1 TYR 18 HD1 TYR 18 1.555 -5.808 -4.929 427 HD2 TYR 18 HD2 TYR 18 -1.656 -8.322 -3.739 428 HE1 TYR 18 HE1 TYR 18 1.255 -6.512 -7.255 429 HE2 TYR 18 HE2 TYR 18 -1.964 -9.036 -6.065 430 HH TYR 18 HH TYR 18 0.316 -8.352 -8.524 431 H HIS 19 H HIS 19 -1.014 -6.077 -0.032 432 HA HIS 19 HA HIS 19 -3.528 -7.320 -0.248 433 HB2 HIS 19 HB3 HIS 19 -1.909 -6.337 2.080 434 HB3 HIS 19 HB2 HIS 19 -3.544 -6.937 2.328 435 HD1 HIS 19 HD1 HIS 19 -3.539 -9.294 3.030 436 HD2 HIS 19 HD2 HIS 19 -0.409 -8.467 0.422 437 HE1 HIS 19 HE1 HIS 19 -2.285 -11.458 2.769 438 HE2 HIS 19 HE2 HIS 19 -0.496 -10.969 1.064 439 H LEU 20 H LEU 20 -2.632 -4.052 0.825 440 HA LEU 20 HA LEU 20 -5.232 -3.228 1.513 441 HB2 LEU 20 HB3 LEU 20 -2.931 -1.550 0.522 442 HB3 LEU 20 HB2 LEU 20 -4.390 -0.929 1.263 443 HG LEU 20 HG LEU 20 -2.383 -2.715 2.640 444 HD11 LEU 20 HD11 LEU 20 -1.818 -0.717 3.921 445 HD12 LEU 20 HD12 LEU 20 -2.916 0.234 2.924 446 HD13 LEU 20 HD13 LEU 20 -1.483 -0.500 2.204 447 HD21 LEU 20 HD21 LEU 20 -4.636 -3.036 3.498 448 HD22 LEU 20 HD22 LEU 20 -4.828 -1.293 3.684 449 HD23 LEU 20 HD23 LEU 20 -3.648 -2.158 4.666 450 H GLU 21 H GLU 21 -3.442 -3.021 -1.540 451 HA GLU 21 HA GLU 21 -5.329 -1.495 -2.946 452 HB2 GLU 21 HB3 GLU 21 -2.878 -2.367 -3.566 453 HB3 GLU 21 HB2 GLU 21 -3.806 -3.607 -4.397 454 HG2 GLU 21 HG3 GLU 21 -5.041 -1.761 -5.564 455 HG3 GLU 21 HG2 GLU 21 -3.862 -0.642 -4.880 456 H ASN 22 H ASN 22 -5.031 -4.970 -2.449 457 HA ASN 22 HA ASN 22 -7.112 -5.718 -4.219 458 HB2 ASN 22 HB3 ASN 22 -5.886 -7.153 -1.863 459 HB3 ASN 22 HB2 ASN 22 -7.105 -7.874 -2.908 460 HD21 ASN 22 HD21 ASN 22 -4.423 -8.782 -2.454 461 HD22 ASN 22 HD22 ASN 22 -3.623 -8.756 -3.986 462 H GLU 23 H GLU 23 -7.045 -4.871 -0.798 463 HA GLU 23 HA GLU 23 -9.767 -5.571 -0.320 464 HB2 GLU 23 HB3 GLU 23 -7.875 -3.786 1.212 465 HB3 GLU 23 HB2 GLU 23 -9.498 -4.188 1.756 466 HG2 GLU 23 HG3 GLU 23 -7.198 -6.077 1.343 467 HG3 GLU 23 HG2 GLU 23 -7.937 -5.607 2.872 468 H VAL 24 H VAL 24 -8.105 -2.611 -1.288 469 HA VAL 24 HA VAL 24 -10.226 -0.816 -1.104 470 HB VAL 24 HB VAL 24 -8.048 -0.911 -3.208 471 HG11 VAL 24 HG11 VAL 24 -8.550 1.464 -3.574 472 HG12 VAL 24 HG12 VAL 24 -9.920 1.337 -2.471 473 HG13 VAL 24 HG13 VAL 24 -9.921 0.434 -3.985 474 HG21 VAL 24 HG21 VAL 24 -8.275 0.656 -0.641 475 HG22 VAL 24 HG22 VAL 24 -6.979 0.811 -1.827 476 HG23 VAL 24 HG23 VAL 24 -7.187 -0.700 -0.941 477 H ALA 25 H ALA 25 -9.217 -2.717 -3.965 478 HA ALA 25 HA ALA 25 -11.414 -2.155 -5.586 479 HB1 ALA 25 HB1 ALA 25 -10.816 -4.166 -6.833 480 HB2 ALA 25 HB2 ALA 25 -9.778 -4.686 -5.506 481 HB3 ALA 25 HB3 ALA 25 -9.387 -3.224 -6.413 482 H ARG 26 H ARG 26 -10.971 -4.744 -3.214 483 HA ARG 26 HA ARG 26 -13.272 -6.225 -3.598 484 HB2 ARG 26 HB3 ARG 26 -11.481 -6.883 -2.079 485 HB3 ARG 26 HB2 ARG 26 -11.844 -5.527 -1.026 486 HG2 ARG 26 HG3 ARG 26 -14.075 -6.527 -0.597 487 HG3 ARG 26 HG2 ARG 26 -13.574 -7.933 -1.539 488 HD2 ARG 26 HD2 ARG 26 -11.670 -8.244 0.008 489 HD3 ARG 26 HD1 ARG 26 -12.267 -6.897 0.975 490 HE ARG 26 HE ARG 26 -14.290 -8.845 0.639 491 HH11 ARG 26 HH11 ARG 26 -11.328 -8.213 2.410 492 HH12 ARG 26 HH12 ARG 26 -11.742 -9.295 3.710 493 HH21 ARG 26 HH21 ARG 26 -14.831 -10.239 2.347 494 HH22 ARG 26 HH22 ARG 26 -13.731 -10.447 3.671 495 H LEU 27 H LEU 27 -12.810 -3.531 -1.328 496 HA LEU 27 HA LEU 27 -15.487 -3.470 -0.461 497 HB2 LEU 27 HB3 LEU 27 -13.313 -1.384 -0.336 498 HB3 LEU 27 HB2 LEU 27 -14.855 -1.250 0.491 499 HG LEU 27 HG LEU 27 -12.936 -3.519 0.953 500 HD11 LEU 27 HD11 LEU 27 -13.253 -0.983 2.539 501 HD12 LEU 27 HD12 LEU 27 -11.860 -1.422 1.551 502 HD13 LEU 27 HD13 LEU 27 -12.257 -2.368 2.984 503 HD21 LEU 27 HD21 LEU 27 -14.237 -3.817 3.011 504 HD22 LEU 27 HD22 LEU 27 -15.237 -3.993 1.570 505 HD23 LEU 27 HD23 LEU 27 -15.307 -2.505 2.514 506 H LYS 28 H LYS 28 -13.920 -1.949 -3.200 507 HA LYS 28 HA LYS 28 -15.922 -0.010 -3.707 508 HB2 LYS 28 HB3 LYS 28 -13.858 -1.303 -5.489 509 HB3 LYS 28 HB2 LYS 28 -14.989 -0.098 -6.083 510 HG2 LYS 28 HG3 LYS 28 -14.092 1.519 -4.470 511 HG3 LYS 28 HG2 LYS 28 -12.942 0.304 -3.911 512 HD2 LYS 28 HD3 LYS 28 -11.869 0.238 -6.051 513 HD3 LYS 28 HD2 LYS 28 -13.130 1.268 -6.764 514 HE2 LYS 28 HE3 LYS 28 -12.447 3.090 -5.248 515 HE3 LYS 28 HE2 LYS 28 -11.154 2.067 -4.625 516 HZ1 LYS 28 HZ1 LYS 28 -11.437 2.981 -7.438 517 HZ2 LYS 28 HZ2 LYS 28 -10.199 1.999 -6.849 518 HZ3 LYS 28 HZ3 LYS 28 -10.339 3.591 -6.306 519 H LYS 29 H LYS 29 -15.339 -3.244 -5.083 520 HA LYS 29 HA LYS 29 -17.760 -3.210 -6.585 521 HB2 LYS 29 HB3 LYS 29 -17.291 -5.481 -7.153 522 HB3 LYS 29 HB2 LYS 29 -15.784 -4.584 -7.187 523 HG2 LYS 29 HG3 LYS 29 -15.235 -5.489 -4.958 524 HG3 LYS 29 HG2 LYS 29 -16.711 -6.457 -5.026 525 HD2 LYS 29 HD3 LYS 29 -15.855 -7.436 -7.165 526 HD3 LYS 29 HD2 LYS 29 -14.327 -6.611 -6.861 527 HE2 LYS 29 HE3 LYS 29 -14.110 -8.859 -6.090 528 HE3 LYS 29 HE2 LYS 29 -14.197 -7.808 -4.677 529 HZ1 LYS 29 HZ1 LYS 29 -15.567 -9.750 -4.367 530 HZ2 LYS 29 HZ2 LYS 29 -16.421 -9.432 -5.789 531 HZ3 LYS 29 HZ3 LYS 29 -16.555 -8.383 -4.473 532 H LEU 30 H LEU 30 -17.280 -3.438 -3.318 533 HA LEU 30 HA LEU 30 -19.698 -5.015 -2.887 534 HB2 LEU 30 HB3 LEU 30 -17.764 -3.714 -0.976 535 HB3 LEU 30 HB2 LEU 30 -19.241 -4.499 -0.458 536 HG LEU 30 HG LEU 30 -16.973 -5.866 -1.911 537 HD11 LEU 30 HD11 LEU 30 -17.801 -5.948 0.986 538 HD12 LEU 30 HD12 LEU 30 -16.327 -5.229 0.339 539 HD13 LEU 30 HD13 LEU 30 -16.574 -6.972 0.242 540 HD21 LEU 30 HD21 LEU 30 -18.180 -7.923 -1.296 541 HD22 LEU 30 HD22 LEU 30 -19.103 -6.905 -2.399 542 HD23 LEU 30 HD23 LEU 30 -19.510 -6.942 -0.683 543 H VAL 31 H VAL 31 -18.515 -1.757 -1.982 544 HA VAL 31 HA VAL 31 -21.065 -0.856 -1.165 545 HB VAL 31 HB VAL 31 -18.906 0.091 -0.384 546 HG11 VAL 31 HG11 VAL 31 -17.709 0.225 -2.481 547 HG12 VAL 31 HG12 VAL 31 -17.797 1.816 -1.727 548 HG13 VAL 31 HG13 VAL 31 -18.852 1.423 -3.083 549 HG21 VAL 31 HG21 VAL 31 -19.670 2.422 -0.305 550 HG22 VAL 31 HG22 VAL 31 -20.966 1.273 0.031 551 HG23 VAL 31 HG23 VAL 31 -20.866 2.054 -1.547 552 H GLY 32 H GLY 32 -19.482 -0.810 -4.312 553 HA2 GLY 32 HA3 GLY 32 -21.546 1.040 -5.299 554 HA3 GLY 32 HA2 GLY 32 -20.013 0.709 -6.089 555 H GLU 33 H GLU 33 -21.741 -1.993 -4.843 556 HA GLU 33 HA GLU 33 -22.599 -2.635 -7.583 557 HB2 GLU 33 HB3 GLU 33 -20.607 -3.934 -6.709 558 HB3 GLU 33 HB2 GLU 33 -21.697 -4.651 -5.531 559 HG2 GLU 33 HG3 GLU 33 -21.335 -6.101 -7.463 560 HG3 GLU 33 HG2 GLU 33 -23.024 -5.622 -7.303 Start of MODEL 15 1 H1 GLY 1 H1 GLY 1 20.739 -3.867 -6.015 2 H2 GLY 1 H2 GLY 1 19.708 -3.904 -4.680 3 H3 GLY 1 H3 GLY 1 21.010 -4.980 -4.770 4 HA2 GLY 1 HA2 GLY 1 21.552 -3.235 -3.239 5 HA3 GLY 1 HA3 GLY 1 22.561 -3.111 -4.674 6 H SER 2 H SER 2 22.934 -0.918 -4.377 7 HA SER 2 HA SER 2 22.617 1.302 -4.616 8 HB2 SER 2 HB3 SER 2 21.732 0.691 -6.811 9 HB3 SER 2 HB2 SER 2 20.129 0.456 -6.118 10 HG SER 2 HG SER 2 21.268 2.723 -6.983 11 H MET 3 H MET 3 22.356 1.996 -2.574 12 HA MET 3 HA MET 3 20.051 1.628 -0.998 13 HB2 MET 3 HB3 MET 3 22.247 3.692 -0.813 14 HB3 MET 3 HB2 MET 3 20.987 3.496 0.396 15 HG2 MET 3 HG3 MET 3 21.739 1.183 0.767 16 HG3 MET 3 HG2 MET 3 23.042 1.445 -0.391 17 HE1 MET 3 HE1 MET 3 23.530 0.439 2.652 18 HE2 MET 3 HE2 MET 3 24.983 1.381 2.989 19 HE3 MET 3 HE3 MET 3 24.763 0.639 1.406 20 H LYS 4 H LYS 4 20.952 4.055 -3.338 21 HA LYS 4 HA LYS 4 18.945 5.948 -2.690 22 HB2 LYS 4 HB3 LYS 4 20.914 6.520 -4.040 23 HB3 LYS 4 HB2 LYS 4 20.354 5.453 -5.320 24 HG2 LYS 4 HG3 LYS 4 18.421 6.856 -5.697 25 HG3 LYS 4 HG2 LYS 4 18.877 7.889 -4.342 26 HD2 LYS 4 HD3 LYS 4 20.573 7.451 -6.798 27 HD3 LYS 4 HD2 LYS 4 19.478 8.818 -6.574 28 HE2 LYS 4 HE3 LYS 4 21.835 8.134 -4.815 29 HE3 LYS 4 HE2 LYS 4 21.791 9.410 -6.028 30 HZ1 LYS 4 HZ1 LYS 4 20.001 10.468 -4.764 31 HZ2 LYS 4 HZ2 LYS 4 21.411 10.315 -3.844 32 HZ3 LYS 4 HZ3 LYS 4 20.117 9.263 -3.582 33 H GLN 5 H GLN 5 19.100 3.389 -5.164 34 HA GLN 5 HA GLN 5 16.561 3.740 -6.257 35 HB2 GLN 5 HB3 GLN 5 18.243 2.299 -7.281 36 HB3 GLN 5 HB2 GLN 5 18.161 1.197 -5.915 37 HG2 GLN 5 HG3 GLN 5 15.803 0.730 -6.481 38 HG3 GLN 5 HG2 GLN 5 15.975 1.757 -7.904 39 HE21 GLN 5 HE21 GLN 5 16.863 -1.249 -6.414 40 HE22 GLN 5 HE22 GLN 5 17.483 -2.006 -7.838 41 H LEU 6 H LEU 6 17.621 1.779 -3.523 42 HA LEU 6 HA LEU 6 15.051 0.645 -3.031 43 HB2 LEU 6 HB3 LEU 6 17.470 0.844 -1.233 44 HB3 LEU 6 HB2 LEU 6 16.029 -0.076 -0.863 45 HG LEU 6 HG LEU 6 17.863 -0.613 -3.204 46 HD11 LEU 6 HD11 LEU 6 18.584 -2.557 -1.977 47 HD12 LEU 6 HD12 LEU 6 17.517 -2.144 -0.636 48 HD13 LEU 6 HD13 LEU 6 18.888 -1.105 -1.024 49 HD21 LEU 6 HD21 LEU 6 16.573 -2.695 -3.411 50 HD22 LEU 6 HD22 LEU 6 15.576 -1.267 -3.681 51 HD23 LEU 6 HD23 LEU 6 15.481 -2.130 -2.146 52 H GLU 7 H GLU 7 16.690 3.539 -1.949 53 HA GLU 7 HA GLU 7 14.999 4.168 0.212 54 HB2 GLU 7 HB3 GLU 7 17.225 5.207 -0.261 55 HB3 GLU 7 HB2 GLU 7 16.490 6.073 -1.603 56 HG2 GLU 7 HG3 GLU 7 16.600 7.570 0.222 57 HG3 GLU 7 HG2 GLU 7 14.903 7.077 0.027 58 H ASP 8 H ASP 8 14.984 5.195 -3.201 59 HA ASP 8 HA ASP 8 12.566 6.654 -3.066 60 HB2 ASP 8 HB3 ASP 8 14.049 5.369 -5.353 61 HB3 ASP 8 HB2 ASP 8 12.516 6.197 -5.599 62 H LYS 9 H LYS 9 13.300 3.296 -3.627 63 HA LYS 9 HA LYS 9 10.760 2.340 -4.360 64 HB2 LYS 9 HB3 LYS 9 13.078 1.082 -4.076 65 HB3 LYS 9 HB2 LYS 9 12.418 0.714 -2.476 66 HG2 LYS 9 HG3 LYS 9 11.932 -1.088 -3.960 67 HG3 LYS 9 HG2 LYS 9 10.434 -0.258 -3.542 68 HD2 LYS 9 HD3 LYS 9 10.482 0.926 -5.670 69 HD3 LYS 9 HD2 LYS 9 12.004 0.138 -6.087 70 HE2 LYS 9 HE3 LYS 9 10.907 -2.030 -6.047 71 HE3 LYS 9 HE2 LYS 9 9.389 -1.269 -5.576 72 HZ1 LYS 9 HZ1 LYS 9 9.429 -1.728 -7.934 73 HZ2 LYS 9 HZ2 LYS 9 10.843 -0.822 -8.126 74 HZ3 LYS 9 HZ3 LYS 9 9.404 -0.058 -7.674 75 H VAL 10 H VAL 10 12.222 2.490 -1.142 76 HA VAL 10 HA VAL 10 10.048 1.599 0.376 77 HB VAL 10 HB VAL 10 12.254 3.523 1.134 78 HG11 VAL 10 HG11 VAL 10 11.694 2.969 3.463 79 HG12 VAL 10 HG12 VAL 10 10.300 2.052 2.899 80 HG13 VAL 10 HG13 VAL 10 10.369 3.794 2.645 81 HG21 VAL 10 HG21 VAL 10 13.236 1.546 2.227 82 HG22 VAL 10 HG22 VAL 10 13.082 1.341 0.483 83 HG23 VAL 10 HG23 VAL 10 11.934 0.555 1.567 84 H GLU 11 H GLU 11 11.012 4.692 -0.844 85 HA GLU 11 HA GLU 11 9.141 6.344 0.460 86 HB2 GLU 11 HB3 GLU 11 11.125 7.207 -0.673 87 HB3 GLU 11 HB2 GLU 11 10.493 6.672 -2.223 88 HG2 GLU 11 HG3 GLU 11 8.614 8.239 -1.964 89 HG3 GLU 11 HG2 GLU 11 9.329 8.807 -0.455 90 H GLU 12 H GLU 12 9.042 4.843 -2.780 91 HA GLU 12 HA GLU 12 6.560 5.906 -3.561 92 HB2 GLU 12 HB3 GLU 12 8.138 4.909 -5.130 93 HB3 GLU 12 HB2 GLU 12 7.918 3.333 -4.387 94 HG2 GLU 12 HG3 GLU 12 6.714 3.495 -6.480 95 HG3 GLU 12 HG2 GLU 12 5.605 3.292 -5.128 96 H LEU 13 H LEU 13 7.141 2.529 -2.678 97 HA LEU 13 HA LEU 13 4.583 1.653 -2.367 98 HB2 LEU 13 HB3 LEU 13 6.999 0.855 -0.758 99 HB3 LEU 13 HB2 LEU 13 5.502 -0.055 -0.823 100 HG LEU 13 HG LEU 13 7.259 0.511 -3.213 101 HD11 LEU 13 HD11 LEU 13 6.979 -1.983 -1.545 102 HD12 LEU 13 HD12 LEU 13 8.398 -0.940 -1.638 103 HD13 LEU 13 HD13 LEU 13 7.881 -1.853 -3.055 104 HD21 LEU 13 HD21 LEU 13 4.867 -1.294 -2.852 105 HD22 LEU 13 HD22 LEU 13 5.877 -1.208 -4.295 106 HD23 LEU 13 HD23 LEU 13 4.923 0.189 -3.803 107 H LEU 14 H LEU 14 6.458 3.379 0.102 108 HA LEU 14 HA LEU 14 4.675 2.962 2.220 109 HB2 LEU 14 HB3 LEU 14 6.976 3.720 2.555 110 HB3 LEU 14 HB2 LEU 14 6.602 5.248 1.790 111 HG LEU 14 HG LEU 14 4.973 5.703 3.631 112 HD11 LEU 14 HD11 LEU 14 6.210 3.223 4.816 113 HD12 LEU 14 HD12 LEU 14 4.518 3.454 4.372 114 HD13 LEU 14 HD13 LEU 14 5.215 4.379 5.700 115 HD21 LEU 14 HD21 LEU 14 7.212 6.658 3.641 116 HD22 LEU 14 HD22 LEU 14 7.835 5.217 4.446 117 HD23 LEU 14 HD23 LEU 14 6.688 6.265 5.279 118 H SER 15 H SER 15 4.885 5.631 -0.164 119 HA SER 15 HA SER 15 2.710 7.068 0.958 120 HB2 SER 15 HB3 SER 15 2.644 8.286 -1.191 121 HB3 SER 15 HB2 SER 15 4.285 8.167 -0.561 122 HG SER 15 HG SER 15 4.307 6.164 -2.012 123 H LYS 16 H LYS 16 2.966 4.453 -1.348 124 HA LYS 16 HA LYS 16 0.257 4.366 -2.152 125 HB2 LYS 16 HB3 LYS 16 2.387 2.234 -1.980 126 HB3 LYS 16 HB2 LYS 16 0.785 1.933 -2.637 127 HG2 LYS 16 HG3 LYS 16 2.585 4.085 -3.706 128 HG3 LYS 16 HG2 LYS 16 2.637 2.422 -4.293 129 HD2 LYS 16 HD3 LYS 16 0.111 4.065 -4.238 130 HD3 LYS 16 HD2 LYS 16 1.200 4.025 -5.625 131 HE2 LYS 16 HE3 LYS 16 -0.169 1.631 -4.398 132 HE3 LYS 16 HE2 LYS 16 -0.677 2.452 -5.872 133 HZ1 LYS 16 HZ1 LYS 16 0.595 0.554 -6.475 134 HZ2 LYS 16 HZ2 LYS 16 1.853 0.968 -5.431 135 HZ3 LYS 16 HZ3 LYS 16 1.548 1.911 -6.801 136 H ASN 17 H ASN 17 2.055 2.636 0.378 137 HA ASN 17 HA ASN 17 -0.020 1.145 1.459 138 HB2 ASN 17 HB3 ASN 17 2.359 0.879 2.057 139 HB3 ASN 17 HB2 ASN 17 2.339 2.415 2.900 140 HD21 ASN 17 HD21 ASN 17 -0.181 2.035 4.343 141 HD22 ASN 17 HD22 ASN 17 0.111 0.774 5.483 142 H TYR 18 H TYR 18 0.990 4.460 2.229 143 HA TYR 18 HA TYR 18 -0.859 4.866 4.323 144 HB2 TYR 18 HB3 TYR 18 0.609 6.788 2.530 145 HB3 TYR 18 HB2 TYR 18 -0.543 7.354 3.731 146 HD1 TYR 18 HD1 TYR 18 2.651 7.620 3.356 147 HD2 TYR 18 HD2 TYR 18 0.074 5.447 5.966 148 HE1 TYR 18 HE1 TYR 18 4.413 7.581 5.064 149 HE2 TYR 18 HE2 TYR 18 1.836 5.402 7.673 150 HH TYR 18 HH TYR 18 4.610 7.345 7.509 151 H HIS 19 H HIS 19 -1.048 5.675 0.867 152 HA HIS 19 HA HIS 19 -3.584 6.905 1.001 153 HB2 HIS 19 HB3 HIS 19 -2.175 5.571 -1.314 154 HB3 HIS 19 HB2 HIS 19 -3.681 6.465 -1.472 155 HD1 HIS 19 HD1 HIS 19 -1.312 7.428 -3.060 156 HD2 HIS 19 HD2 HIS 19 -2.131 8.749 0.794 157 HE1 HIS 19 HE1 HIS 19 -0.145 9.644 -2.842 158 HE2 HIS 19 HE2 HIS 19 -0.520 10.338 -0.451 159 H LEU 20 H LEU 20 -2.656 3.596 0.073 160 HA LEU 20 HA LEU 20 -5.245 2.702 -0.530 161 HB2 LEU 20 HB3 LEU 20 -2.879 1.105 0.443 162 HB3 LEU 20 HB2 LEU 20 -4.327 0.435 -0.274 163 HG LEU 20 HG LEU 20 -2.493 2.323 -1.739 164 HD11 LEU 20 HD11 LEU 20 -1.300 0.275 -1.126 165 HD12 LEU 20 HD12 LEU 20 -1.596 0.367 -2.860 166 HD13 LEU 20 HD13 LEU 20 -2.588 -0.687 -1.850 167 HD21 LEU 20 HD21 LEU 20 -4.777 2.237 -2.582 168 HD22 LEU 20 HD22 LEU 20 -4.689 0.478 -2.668 169 HD23 LEU 20 HD23 LEU 20 -3.661 1.464 -3.707 170 H GLU 21 H GLU 21 -3.440 2.694 2.514 171 HA GLU 21 HA GLU 21 -5.194 1.110 4.013 172 HB2 GLU 21 HB3 GLU 21 -2.900 2.723 4.504 173 HB3 GLU 21 HB2 GLU 21 -4.126 3.178 5.676 174 HG2 GLU 21 HG3 GLU 21 -3.069 0.389 5.211 175 HG3 GLU 21 HG2 GLU 21 -2.661 1.456 6.552 176 H ASN 22 H ASN 22 -5.222 4.609 3.393 177 HA ASN 22 HA ASN 22 -7.511 5.069 5.053 178 HB2 ASN 22 HB3 ASN 22 -6.158 6.768 2.959 179 HB3 ASN 22 HB2 ASN 22 -7.601 7.294 3.818 180 HD21 ASN 22 HD21 ASN 22 -7.470 7.724 6.043 181 HD22 ASN 22 HD22 ASN 22 -5.946 8.008 6.817 182 H GLU 23 H GLU 23 -6.988 4.366 1.653 183 HA GLU 23 HA GLU 23 -9.600 4.834 0.725 184 HB2 GLU 23 HB3 GLU 23 -7.520 2.844 -0.195 185 HB3 GLU 23 HB2 GLU 23 -9.020 3.163 -1.055 186 HG2 GLU 23 HG3 GLU 23 -6.867 5.187 -0.491 187 HG3 GLU 23 HG2 GLU 23 -7.123 4.356 -2.024 188 H VAL 24 H VAL 24 -8.073 1.890 1.991 189 HA VAL 24 HA VAL 24 -10.264 0.184 1.831 190 HB VAL 24 HB VAL 24 -8.109 0.206 3.957 191 HG11 VAL 24 HG11 VAL 24 -9.973 -2.007 3.103 192 HG12 VAL 24 HG12 VAL 24 -10.031 -1.134 4.634 193 HG13 VAL 24 HG13 VAL 24 -8.650 -2.165 4.257 194 HG21 VAL 24 HG21 VAL 24 -8.275 -1.282 1.338 195 HG22 VAL 24 HG22 VAL 24 -7.017 -1.488 2.558 196 HG23 VAL 24 HG23 VAL 24 -7.181 0.052 1.712 197 H ALA 25 H ALA 25 -9.173 2.182 4.561 198 HA ALA 25 HA ALA 25 -11.214 1.605 6.358 199 HB1 ALA 25 HB1 ALA 25 -9.162 2.760 6.979 200 HB2 ALA 25 HB2 ALA 25 -10.584 3.668 7.492 201 HB3 ALA 25 HB3 ALA 25 -9.680 4.180 6.070 202 H ARG 26 H ARG 26 -11.056 4.190 3.921 203 HA ARG 26 HA ARG 26 -13.432 5.503 4.549 204 HB2 ARG 26 HB3 ARG 26 -11.868 6.484 3.006 205 HB3 ARG 26 HB2 ARG 26 -12.028 5.125 1.901 206 HG2 ARG 26 HG3 ARG 26 -14.376 5.757 1.505 207 HG3 ARG 26 HG2 ARG 26 -14.152 7.157 2.555 208 HD2 ARG 26 HD2 ARG 26 -12.498 8.071 1.068 209 HD3 ARG 26 HD1 ARG 26 -12.528 6.616 0.074 210 HE ARG 26 HE ARG 26 -15.117 7.604 0.118 211 HH11 ARG 26 HH11 ARG 26 -11.975 8.696 -0.970 212 HH12 ARG 26 HH12 ARG 26 -12.618 9.637 -2.275 213 HH21 ARG 26 HH21 ARG 26 -15.959 8.844 -1.592 214 HH22 ARG 26 HH22 ARG 26 -14.885 9.727 -2.625 215 H LEU 27 H LEU 27 -12.881 2.912 2.169 216 HA LEU 27 HA LEU 27 -15.576 2.736 1.371 217 HB2 LEU 27 HB3 LEU 27 -13.369 0.695 1.180 218 HB3 LEU 27 HB2 LEU 27 -14.911 0.584 0.345 219 HG LEU 27 HG LEU 27 -12.920 2.808 -0.055 220 HD11 LEU 27 HD11 LEU 27 -12.380 1.738 -2.152 221 HD12 LEU 27 HD12 LEU 27 -13.495 0.421 -1.792 222 HD13 LEU 27 HD13 LEU 27 -12.050 0.650 -0.807 223 HD21 LEU 27 HD21 LEU 27 -15.433 2.046 -1.536 224 HD22 LEU 27 HD22 LEU 27 -14.293 3.295 -2.038 225 HD23 LEU 27 HD23 LEU 27 -15.199 3.481 -0.538 226 H LYS 28 H LYS 28 -13.882 1.304 4.076 227 HA LYS 28 HA LYS 28 -15.740 -0.714 4.700 228 HB2 LYS 28 HB3 LYS 28 -13.868 0.906 6.431 229 HB3 LYS 28 HB2 LYS 28 -14.897 -0.353 7.091 230 HG2 LYS 28 HG3 LYS 28 -12.838 -0.784 4.941 231 HG3 LYS 28 HG2 LYS 28 -12.579 -1.082 6.660 232 HD2 LYS 28 HD3 LYS 28 -14.507 -2.675 6.603 233 HD3 LYS 28 HD2 LYS 28 -14.553 -2.463 4.837 234 HE2 LYS 28 HE3 LYS 28 -13.323 -4.471 5.385 235 HE3 LYS 28 HE2 LYS 28 -12.218 -3.271 4.719 236 HZ1 LYS 28 HZ1 LYS 28 -11.520 -2.730 6.974 237 HZ2 LYS 28 HZ2 LYS 28 -11.263 -4.365 6.634 238 HZ3 LYS 28 HZ3 LYS 28 -12.570 -3.900 7.598 239 H LYS 29 H LYS 29 -15.475 2.674 5.761 240 HA LYS 29 HA LYS 29 -17.801 2.812 7.293 241 HB2 LYS 29 HB3 LYS 29 -16.761 5.035 5.529 242 HB3 LYS 29 HB2 LYS 29 -17.684 5.197 7.013 243 HG2 LYS 29 HG3 LYS 29 -15.810 4.420 8.320 244 HG3 LYS 29 HG2 LYS 29 -14.891 4.077 6.853 245 HD2 LYS 29 HD3 LYS 29 -15.036 6.496 6.283 246 HD3 LYS 29 HD2 LYS 29 -15.796 6.774 7.849 247 HE2 LYS 29 HE3 LYS 29 -13.049 5.607 7.409 248 HE3 LYS 29 HE2 LYS 29 -13.391 7.268 7.888 249 HZ1 LYS 29 HZ1 LYS 29 -14.025 4.830 9.462 250 HZ2 LYS 29 HZ2 LYS 29 -14.427 6.407 9.912 251 HZ3 LYS 29 HZ3 LYS 29 -12.804 5.952 9.798 252 H LEU 30 H LEU 30 -17.337 3.203 3.808 253 HA LEU 30 HA LEU 30 -19.929 4.081 3.185 254 HB2 LEU 30 HB3 LEU 30 -17.685 2.892 1.655 255 HB3 LEU 30 HB2 LEU 30 -19.268 2.852 0.906 256 HG LEU 30 HG LEU 30 -17.967 4.791 0.170 257 HD11 LEU 30 HD11 LEU 30 -19.645 6.495 0.555 258 HD12 LEU 30 HD12 LEU 30 -20.302 5.576 1.906 259 HD13 LEU 30 HD13 LEU 30 -20.412 4.935 0.268 260 HD21 LEU 30 HD21 LEU 30 -17.473 6.615 1.730 261 HD22 LEU 30 HD22 LEU 30 -16.607 5.139 2.152 262 HD23 LEU 30 HD23 LEU 30 -18.035 5.616 3.070 263 H VAL 31 H VAL 31 -18.583 0.770 2.989 264 HA VAL 31 HA VAL 31 -21.016 -0.482 2.353 265 HB VAL 31 HB VAL 31 -18.716 -1.701 3.896 266 HG11 VAL 31 HG11 VAL 31 -20.729 -3.071 3.923 267 HG12 VAL 31 HG12 VAL 31 -19.481 -3.814 2.921 268 HG13 VAL 31 HG13 VAL 31 -20.834 -2.972 2.165 269 HG21 VAL 31 HG21 VAL 31 -19.134 -1.491 0.917 270 HG22 VAL 31 HG22 VAL 31 -17.875 -2.440 1.704 271 HG23 VAL 31 HG23 VAL 31 -17.881 -0.685 1.861 272 H GLY 32 H GLY 32 -19.761 0.681 5.395 273 HA2 GLY 32 HA3 GLY 32 -21.537 -0.841 7.053 274 HA3 GLY 32 HA2 GLY 32 -20.565 0.535 7.550 275 H GLU 33 H GLU 33 -22.004 1.830 5.039 276 HA GLU 33 HA GLU 33 -24.213 2.872 6.636 277 HB2 GLU 33 HB3 GLU 33 -22.986 3.804 4.027 278 HB3 GLU 33 HB2 GLU 33 -24.383 4.576 4.764 279 HG2 GLU 33 HG3 GLU 33 -21.612 4.369 5.927 280 HG3 GLU 33 HG2 GLU 33 -22.375 5.813 5.265 281 H1 GLY 1 H1 GLY 1 20.769 3.663 6.349 282 H2 GLY 1 H2 GLY 1 19.730 3.679 5.017 283 H3 GLY 1 H3 GLY 1 21.018 4.769 5.095 284 HA2 GLY 1 HA2 GLY 1 21.572 3.029 3.568 285 HA3 GLY 1 HA3 GLY 1 22.594 2.923 4.995 286 H SER 2 H SER 2 22.992 0.733 4.683 287 HA SER 2 HA SER 2 22.707 -1.489 4.938 288 HB2 SER 2 HB3 SER 2 21.844 -0.882 7.141 289 HB3 SER 2 HB2 SER 2 20.230 -0.662 6.469 290 HG SER 2 HG SER 2 21.450 -2.932 7.289 291 H MET 3 H MET 3 22.429 -2.188 2.893 292 HA MET 3 HA MET 3 20.096 -1.853 1.350 293 HB2 MET 3 HB3 MET 3 22.315 -3.890 1.138 294 HB3 MET 3 HB2 MET 3 21.037 -3.712 -0.055 295 HG2 MET 3 HG3 MET 3 21.756 -1.396 -0.447 296 HG3 MET 3 HG2 MET 3 23.071 -1.631 0.704 297 HE1 MET 3 HE1 MET 3 23.509 -0.633 -2.347 298 HE2 MET 3 HE2 MET 3 24.968 -1.554 -2.711 299 HE3 MET 3 HE3 MET 3 24.769 -0.808 -1.125 300 H LYS 4 H LYS 4 21.059 -4.270 3.675 301 HA LYS 4 HA LYS 4 19.064 -6.183 3.063 302 HB2 LYS 4 HB3 LYS 4 21.059 -6.731 4.384 303 HB3 LYS 4 HB2 LYS 4 20.508 -5.668 5.670 304 HG2 LYS 4 HG3 LYS 4 18.599 -7.092 6.082 305 HG3 LYS 4 HG2 LYS 4 19.046 -8.121 4.721 306 HD2 LYS 4 HD3 LYS 4 20.777 -7.658 7.145 307 HD3 LYS 4 HD2 LYS 4 19.696 -9.036 6.947 308 HE2 LYS 4 HE3 LYS 4 22.014 -8.332 5.146 309 HE3 LYS 4 HE2 LYS 4 22.002 -9.607 6.360 310 HZ1 LYS 4 HZ1 LYS 4 20.205 -10.686 5.124 311 HZ2 LYS 4 HZ2 LYS 4 21.596 -10.520 4.182 312 HZ3 LYS 4 HZ3 LYS 4 20.285 -9.484 3.940 313 H GLN 5 H GLN 5 19.225 -3.614 5.523 314 HA GLN 5 HA GLN 5 16.704 -3.998 6.659 315 HB2 GLN 5 HB3 GLN 5 18.383 -2.535 7.657 316 HB3 GLN 5 HB2 GLN 5 18.268 -1.436 6.291 317 HG2 GLN 5 HG3 GLN 5 15.912 -0.998 6.893 318 HG3 GLN 5 HG2 GLN 5 16.122 -2.016 8.317 319 HE21 GLN 5 HE21 GLN 5 16.928 1.001 6.806 320 HE22 GLN 5 HE22 GLN 5 17.566 1.769 8.214 321 H LEU 6 H LEU 6 17.705 -2.028 3.908 322 HA LEU 6 HA LEU 6 15.115 -0.929 3.452 323 HB2 LEU 6 HB3 LEU 6 17.512 -1.098 1.619 324 HB3 LEU 6 HB2 LEU 6 16.051 -0.198 1.268 325 HG LEU 6 HG LEU 6 17.910 0.367 3.584 326 HD11 LEU 6 HD11 LEU 6 18.588 2.322 2.341 327 HD12 LEU 6 HD12 LEU 6 17.509 1.887 1.017 328 HD13 LEU 6 HD13 LEU 6 18.901 0.870 1.390 329 HD21 LEU 6 HD21 LEU 6 16.592 2.429 3.807 330 HD22 LEU 6 HD22 LEU 6 15.620 0.988 4.090 331 HD23 LEU 6 HD23 LEU 6 15.493 1.848 2.556 332 H GLU 7 H GLU 7 16.774 -3.806 2.351 333 HA GLU 7 HA GLU 7 15.057 -4.463 0.218 334 HB2 GLU 7 HB3 GLU 7 17.302 -5.476 0.662 335 HB3 GLU 7 HB2 GLU 7 16.597 -6.343 2.018 336 HG2 GLU 7 HG3 GLU 7 16.699 -7.847 0.198 337 HG3 GLU 7 HG2 GLU 7 14.998 -7.376 0.417 338 H ASP 8 H ASP 8 15.105 -5.480 3.633 339 HA ASP 8 HA ASP 8 12.704 -6.968 3.535 340 HB2 ASP 8 HB3 ASP 8 14.200 -5.660 5.802 341 HB3 ASP 8 HB2 ASP 8 12.684 -6.513 6.066 342 H LYS 9 H LYS 9 13.404 -3.601 4.076 343 HA LYS 9 HA LYS 9 10.861 -2.677 4.844 344 HB2 LYS 9 HB3 LYS 9 13.157 -1.387 4.525 345 HB3 LYS 9 HB2 LYS 9 12.470 -1.031 2.934 346 HG2 LYS 9 HG3 LYS 9 11.981 0.767 4.422 347 HG3 LYS 9 HG2 LYS 9 10.488 -0.082 4.027 348 HD2 LYS 9 HD3 LYS 9 10.580 -1.261 6.158 349 HD3 LYS 9 HD2 LYS 9 12.099 -0.454 6.548 350 HE2 LYS 9 HE3 LYS 9 10.978 1.702 6.525 351 HE3 LYS 9 HE2 LYS 9 9.462 0.925 6.073 352 HZ1 LYS 9 HZ1 LYS 9 9.526 1.390 8.430 353 HZ2 LYS 9 HZ2 LYS 9 10.948 0.493 8.605 354 HZ3 LYS 9 HZ3 LYS 9 9.509 -0.281 8.171 355 H VAL 10 H VAL 10 12.283 -2.816 1.607 356 HA VAL 10 HA VAL 10 10.076 -1.952 0.117 357 HB VAL 10 HB VAL 10 12.297 -3.850 -0.669 358 HG11 VAL 10 HG11 VAL 10 11.696 -3.307 -2.992 359 HG12 VAL 10 HG12 VAL 10 10.298 -2.407 -2.409 360 HG13 VAL 10 HG13 VAL 10 10.394 -4.149 -2.153 361 HG21 VAL 10 HG21 VAL 10 13.235 -1.861 -1.781 362 HG22 VAL 10 HG22 VAL 10 13.103 -1.656 -0.034 363 HG23 VAL 10 HG23 VAL 10 11.930 -0.888 -1.102 364 H GLU 11 H GLU 11 11.090 -5.032 1.329 365 HA GLU 11 HA GLU 11 9.221 -6.709 0.054 366 HB2 GLU 11 HB3 GLU 11 11.232 -7.538 1.165 367 HB3 GLU 11 HB2 GLU 11 10.611 -7.010 2.720 368 HG2 GLU 11 HG3 GLU 11 8.757 -8.610 2.496 369 HG3 GLU 11 HG2 GLU 11 9.454 -9.168 0.974 370 H GLU 12 H GLU 12 9.157 -5.206 3.296 371 HA GLU 12 HA GLU 12 6.698 -6.295 4.111 372 HB2 GLU 12 HB3 GLU 12 8.289 -5.275 5.654 373 HB3 GLU 12 HB2 GLU 12 8.028 -3.702 4.917 374 HG2 GLU 12 HG3 GLU 12 6.855 -3.888 7.027 375 HG3 GLU 12 HG2 GLU 12 5.724 -3.706 5.689 376 H LEU 13 H LEU 13 7.222 -2.912 3.211 377 HA LEU 13 HA LEU 13 4.649 -2.070 2.937 378 HB2 LEU 13 HB3 LEU 13 7.032 -1.244 1.292 379 HB3 LEU 13 HB2 LEU 13 5.524 -0.354 1.377 380 HG LEU 13 HG LEU 13 7.319 -0.892 3.741 381 HD11 LEU 13 HD11 LEU 13 6.988 1.596 2.076 382 HD12 LEU 13 HD12 LEU 13 8.422 0.573 2.152 383 HD13 LEU 13 HD13 LEU 13 7.909 1.479 3.575 384 HD21 LEU 13 HD21 LEU 13 4.901 0.879 3.412 385 HD22 LEU 13 HD22 LEU 13 5.932 0.810 4.840 386 HD23 LEU 13 HD23 LEU 13 4.990 -0.602 4.365 387 H LEU 14 H LEU 14 6.509 -3.779 0.446 388 HA LEU 14 HA LEU 14 4.692 -3.387 -1.646 389 HB2 LEU 14 HB3 LEU 14 6.997 -4.116 -2.014 390 HB3 LEU 14 HB2 LEU 14 6.654 -5.648 -1.243 391 HG LEU 14 HG LEU 14 5.006 -6.126 -3.063 392 HD11 LEU 14 HD11 LEU 14 6.194 -3.629 -4.263 393 HD12 LEU 14 HD12 LEU 14 4.512 -3.883 -3.797 394 HD13 LEU 14 HD13 LEU 14 5.203 -4.798 -5.135 395 HD21 LEU 14 HD21 LEU 14 7.256 -7.053 -3.107 396 HD22 LEU 14 HD22 LEU 14 7.850 -5.603 -3.916 397 HD23 LEU 14 HD23 LEU 14 6.706 -6.665 -4.737 398 H SER 15 H SER 15 4.973 -6.058 0.728 399 HA SER 15 HA SER 15 2.797 -7.515 -0.356 400 HB2 SER 15 HB3 SER 15 2.777 -8.730 1.803 401 HB3 SER 15 HB2 SER 15 4.398 -8.604 1.129 402 HG SER 15 HG SER 15 4.440 -6.590 2.574 403 H LYS 16 H LYS 16 3.055 -4.894 1.941 404 HA LYS 16 HA LYS 16 0.359 -4.840 2.787 405 HB2 LYS 16 HB3 LYS 16 2.457 -2.678 2.581 406 HB3 LYS 16 HB2 LYS 16 0.863 -2.399 3.262 407 HG2 LYS 16 HG3 LYS 16 2.706 -4.522 4.309 408 HG3 LYS 16 HG2 LYS 16 2.742 -2.858 4.892 409 HD2 LYS 16 HD3 LYS 16 0.241 -4.534 4.869 410 HD3 LYS 16 HD2 LYS 16 1.346 -4.477 6.242 411 HE2 LYS 16 HE3 LYS 16 -0.075 -2.106 5.030 412 HE3 LYS 16 HE2 LYS 16 -0.548 -2.931 6.512 413 HZ1 LYS 16 HZ1 LYS 16 0.698 -1.004 7.091 414 HZ2 LYS 16 HZ2 LYS 16 1.953 -1.407 6.032 415 HZ3 LYS 16 HZ3 LYS 16 1.676 -2.347 7.412 416 H ASN 17 H ASN 17 2.095 -3.095 0.227 417 HA ASN 17 HA ASN 17 -0.013 -1.629 -0.825 418 HB2 ASN 17 HB3 ASN 17 2.351 -1.335 -1.457 419 HB3 ASN 17 HB2 ASN 17 2.340 -2.875 -2.295 420 HD21 ASN 17 HD21 ASN 17 -0.203 -2.529 -3.703 421 HD22 ASN 17 HD22 ASN 17 0.051 -1.265 -4.849 422 H TYR 18 H TYR 18 1.019 -4.935 -1.597 423 HA TYR 18 HA TYR 18 -0.851 -5.362 -3.671 424 HB2 TYR 18 HB3 TYR 18 0.670 -7.260 -1.897 425 HB3 TYR 18 HB2 TYR 18 -0.493 -7.845 -3.078 426 HD1 TYR 18 HD1 TYR 18 2.709 -8.069 -2.748 427 HD2 TYR 18 HD2 TYR 18 0.064 -5.942 -5.331 428 HE1 TYR 18 HE1 TYR 18 4.447 -8.008 -4.480 429 HE2 TYR 18 HE2 TYR 18 1.805 -5.880 -7.062 430 HH TYR 18 HH TYR 18 4.638 -7.771 -6.893 431 H HIS 19 H HIS 19 -0.974 -6.178 -0.212 432 HA HIS 19 HA HIS 19 -3.496 -7.432 -0.304 433 HB2 HIS 19 HB3 HIS 19 -2.070 -6.077 1.990 434 HB3 HIS 19 HB2 HIS 19 -3.563 -6.990 2.171 435 HD1 HIS 19 HD1 HIS 19 -1.168 -7.928 3.725 436 HD2 HIS 19 HD2 HIS 19 -2.008 -9.253 -0.118 437 HE1 HIS 19 HE1 HIS 19 0.024 -10.126 3.497 438 HE2 HIS 19 HE2 HIS 19 -0.326 -10.795 1.095 439 H LEU 20 H LEU 20 -2.594 -4.108 0.595 440 HA LEU 20 HA LEU 20 -5.186 -3.249 1.239 441 HB2 LEU 20 HB3 LEU 20 -2.858 -1.619 0.229 442 HB3 LEU 20 HB2 LEU 20 -4.304 -0.971 0.965 443 HG LEU 20 HG LEU 20 -2.426 -2.832 2.407 444 HD11 LEU 20 HD11 LEU 20 -1.269 -0.770 1.774 445 HD12 LEU 20 HD12 LEU 20 -1.539 -0.864 3.513 446 HD13 LEU 20 HD13 LEU 20 -2.558 0.175 2.516 447 HD21 LEU 20 HD21 LEU 20 -4.699 -2.770 3.281 448 HD22 LEU 20 HD22 LEU 20 -4.630 -1.010 3.360 449 HD23 LEU 20 HD23 LEU 20 -3.577 -1.981 4.388 450 H GLU 21 H GLU 21 -3.429 -3.222 -1.830 451 HA GLU 21 HA GLU 21 -5.221 -1.666 -3.309 452 HB2 GLU 21 HB3 GLU 21 -2.916 -3.256 -3.823 453 HB3 GLU 21 HB2 GLU 21 -4.154 -3.727 -4.977 454 HG2 GLU 21 HG3 GLU 21 -3.117 -0.927 -4.532 455 HG3 GLU 21 HG2 GLU 21 -2.720 -1.992 -5.879 456 H ASN 22 H ASN 22 -5.190 -5.166 -2.695 457 HA ASN 22 HA ASN 22 -7.505 -5.653 -4.307 458 HB2 ASN 22 HB3 ASN 22 -6.089 -7.328 -2.236 459 HB3 ASN 22 HB2 ASN 22 -7.539 -7.878 -3.069 460 HD21 ASN 22 HD21 ASN 22 -7.436 -8.314 -5.295 461 HD22 ASN 22 HD22 ASN 22 -5.922 -8.564 -6.096 462 H GLU 23 H GLU 23 -6.936 -4.935 -0.919 463 HA GLU 23 HA GLU 23 -9.527 -5.434 0.050 464 HB2 GLU 23 HB3 GLU 23 -7.462 -3.414 0.935 465 HB3 GLU 23 HB2 GLU 23 -8.946 -3.746 1.817 466 HG2 GLU 23 HG3 GLU 23 -6.779 -5.749 1.229 467 HG3 GLU 23 HG2 GLU 23 -7.023 -4.915 2.764 468 H VAL 24 H VAL 24 -8.063 -2.470 -1.242 469 HA VAL 24 HA VAL 24 -10.278 -0.797 -1.057 470 HB VAL 24 HB VAL 24 -8.148 -0.795 -3.211 471 HG11 VAL 24 HG11 VAL 24 -10.026 1.398 -2.333 472 HG12 VAL 24 HG12 VAL 24 -10.097 0.520 -3.862 473 HG13 VAL 24 HG13 VAL 24 -8.722 1.567 -3.508 474 HG21 VAL 24 HG21 VAL 24 -8.294 0.692 -0.590 475 HG22 VAL 24 HG22 VAL 24 -7.058 0.914 -1.828 476 HG23 VAL 24 HG23 VAL 24 -7.191 -0.628 -0.981 477 H ALA 25 H ALA 25 -9.190 -2.787 -3.800 478 HA ALA 25 HA ALA 25 -11.266 -2.240 -5.566 479 HB1 ALA 25 HB1 ALA 25 -9.208 -3.372 -6.215 480 HB2 ALA 25 HB2 ALA 25 -10.626 -4.294 -6.711 481 HB3 ALA 25 HB3 ALA 25 -9.695 -4.798 -5.300 482 H ARG 26 H ARG 26 -11.041 -4.813 -3.126 483 HA ARG 26 HA ARG 26 -13.407 -6.159 -3.721 484 HB2 ARG 26 HB3 ARG 26 -11.811 -7.119 -2.199 485 HB3 ARG 26 HB2 ARG 26 -11.971 -5.763 -1.092 486 HG2 ARG 26 HG3 ARG 26 -14.309 -6.421 -0.666 487 HG3 ARG 26 HG2 ARG 26 -14.078 -7.822 -1.715 488 HD2 ARG 26 HD2 ARG 26 -12.394 -8.708 -0.245 489 HD3 ARG 26 HD1 ARG 26 -12.435 -7.253 0.749 490 HE ARG 26 HE ARG 26 -15.010 -8.287 0.721 491 HH11 ARG 26 HH11 ARG 26 -11.846 -9.344 1.777 492 HH12 ARG 26 HH12 ARG 26 -12.461 -10.286 3.097 493 HH21 ARG 26 HH21 ARG 26 -15.824 -9.524 2.452 494 HH22 ARG 26 HH22 ARG 26 -14.728 -10.393 3.479 495 H LEU 27 H LEU 27 -12.857 -3.556 -1.353 496 HA LEU 27 HA LEU 27 -15.546 -3.414 -0.520 497 HB2 LEU 27 HB3 LEU 27 -13.360 -1.345 -0.358 498 HB3 LEU 27 HB2 LEU 27 -14.891 -1.255 0.498 499 HG LEU 27 HG LEU 27 -12.868 -3.453 0.873 500 HD11 LEU 27 HD11 LEU 27 -12.312 -2.370 2.961 501 HD12 LEU 27 HD12 LEU 27 -13.448 -1.069 2.612 502 HD13 LEU 27 HD13 LEU 27 -12.015 -1.282 1.608 503 HD21 LEU 27 HD21 LEU 27 -15.370 -2.720 2.388 504 HD22 LEU 27 HD22 LEU 27 -14.209 -3.954 2.876 505 HD23 LEU 27 HD23 LEU 27 -15.132 -4.154 1.388 506 H LYS 28 H LYS 28 -13.906 -1.970 -3.248 507 HA LYS 28 HA LYS 28 -15.797 0.024 -3.849 508 HB2 LYS 28 HB3 LYS 28 -13.929 -1.575 -5.605 509 HB3 LYS 28 HB2 LYS 28 -14.984 -0.330 -6.251 510 HG2 LYS 28 HG3 LYS 28 -12.903 0.133 -4.129 511 HG3 LYS 28 HG2 LYS 28 -12.668 0.432 -5.851 512 HD2 LYS 28 HD3 LYS 28 -14.620 1.997 -5.770 513 HD3 LYS 28 HD2 LYS 28 -14.637 1.787 -4.004 514 HE2 LYS 28 HE3 LYS 28 -13.444 3.811 -4.574 515 HE3 LYS 28 HE2 LYS 28 -12.315 2.627 -3.923 516 HZ1 LYS 28 HZ1 LYS 28 -11.631 2.100 -6.183 517 HZ2 LYS 28 HZ2 LYS 28 -11.408 3.742 -5.855 518 HZ3 LYS 28 HZ3 LYS 28 -12.715 3.240 -6.800 519 H LYS 29 H LYS 29 -15.507 -3.365 -4.909 520 HA LYS 29 HA LYS 29 -17.855 -3.535 -6.410 521 HB2 LYS 29 HB3 LYS 29 -16.763 -5.738 -4.651 522 HB3 LYS 29 HB2 LYS 29 -17.705 -5.916 -6.124 523 HG2 LYS 29 HG3 LYS 29 -15.859 -5.120 -7.458 524 HG3 LYS 29 HG2 LYS 29 -14.925 -4.759 -6.004 525 HD2 LYS 29 HD3 LYS 29 -15.027 -7.180 -5.424 526 HD3 LYS 29 HD2 LYS 29 -15.805 -7.472 -6.981 527 HE2 LYS 29 HE3 LYS 29 -13.070 -6.266 -6.578 528 HE3 LYS 29 HE2 LYS 29 -13.399 -7.928 -7.054 529 HZ1 LYS 29 HZ1 LYS 29 -14.087 -5.497 -8.611 530 HZ2 LYS 29 HZ2 LYS 29 -14.473 -7.079 -9.061 531 HZ3 LYS 29 HZ3 LYS 29 -12.855 -6.600 -8.966 532 H LEU 30 H LEU 30 -17.336 -3.913 -2.930 533 HA LEU 30 HA LEU 30 -19.907 -4.820 -2.265 534 HB2 LEU 30 HB3 LEU 30 -17.659 -3.595 -0.768 535 HB3 LEU 30 HB2 LEU 30 -19.232 -3.578 0.000 536 HG LEU 30 HG LEU 30 -17.894 -5.497 0.724 537 HD11 LEU 30 HD11 LEU 30 -19.555 -7.226 0.359 538 HD12 LEU 30 HD12 LEU 30 -20.240 -6.311 -0.984 539 HD13 LEU 30 HD13 LEU 30 -20.336 -5.673 0.656 540 HD21 LEU 30 HD21 LEU 30 -17.394 -7.315 -0.835 541 HD22 LEU 30 HD22 LEU 30 -16.554 -5.830 -1.276 542 HD23 LEU 30 HD23 LEU 30 -17.987 -6.330 -2.171 543 H VAL 31 H VAL 31 -18.597 -1.494 -2.092 544 HA VAL 31 HA VAL 31 -21.036 -0.272 -1.426 545 HB VAL 31 HB VAL 31 -18.772 0.976 -3.001 546 HG11 VAL 31 HG11 VAL 31 -20.801 2.319 -3.002 547 HG12 VAL 31 HG12 VAL 31 -19.551 3.077 -2.017 548 HG13 VAL 31 HG13 VAL 31 -20.884 2.220 -1.243 549 HG21 VAL 31 HG21 VAL 31 -19.150 0.764 -0.018 550 HG22 VAL 31 HG22 VAL 31 -17.913 1.728 -0.824 551 HG23 VAL 31 HG23 VAL 31 -17.900 -0.028 -0.977 552 H GLY 32 H GLY 32 -19.812 -1.420 -4.483 553 HA2 GLY 32 HA3 GLY 32 -21.630 0.076 -6.114 554 HA3 GLY 32 HA2 GLY 32 -20.646 -1.287 -6.622 555 H GLU 33 H GLU 33 -22.031 -2.603 -4.096 556 HA GLU 33 HA GLU 33 -24.255 -3.670 -5.656 557 HB2 GLU 33 HB3 GLU 33 -22.975 -4.583 -3.064 558 HB3 GLU 33 HB2 GLU 33 -24.375 -5.372 -3.776 559 HG2 GLU 33 HG3 GLU 33 -21.625 -5.139 -4.983 560 HG3 GLU 33 HG2 GLU 33 -22.366 -6.589 -4.308 Start of MODEL 16 1 H1 GLY 1 H1 GLY 1 26.482 -1.611 -3.120 2 H2 GLY 1 H2 GLY 1 25.233 -2.085 -4.157 3 H3 GLY 1 H3 GLY 1 24.961 -1.999 -2.489 4 HA2 GLY 1 HA2 GLY 1 25.293 0.390 -2.525 5 HA3 GLY 1 HA3 GLY 1 25.564 0.298 -4.260 6 H SER 2 H SER 2 23.864 1.383 -5.051 7 HA SER 2 HA SER 2 21.747 1.821 -5.728 8 HB2 SER 2 HB3 SER 2 21.100 -0.969 -4.773 9 HB3 SER 2 HB2 SER 2 20.211 -0.029 -5.963 10 HG SER 2 HG SER 2 22.519 -0.035 -6.989 11 H MET 3 H MET 3 22.516 2.447 -2.981 12 HA MET 3 HA MET 3 20.402 1.845 -1.198 13 HB2 MET 3 HB3 MET 3 22.449 4.066 -1.172 14 HB3 MET 3 HB2 MET 3 21.298 3.794 0.128 15 HG2 MET 3 HG3 MET 3 22.232 1.520 0.417 16 HG3 MET 3 HG2 MET 3 23.444 1.902 -0.804 17 HE1 MET 3 HE1 MET 3 23.126 4.032 3.283 18 HE2 MET 3 HE2 MET 3 22.072 2.710 2.783 19 HE3 MET 3 HE3 MET 3 21.960 4.280 1.985 20 H LYS 4 H LYS 4 21.070 4.611 -3.293 21 HA LYS 4 HA LYS 4 18.800 6.117 -2.573 22 HB2 LYS 4 HB3 LYS 4 20.752 7.045 -3.768 23 HB3 LYS 4 HB2 LYS 4 20.305 6.123 -5.192 24 HG2 LYS 4 HG3 LYS 4 18.274 7.376 -5.437 25 HG3 LYS 4 HG2 LYS 4 18.566 8.218 -3.916 26 HD2 LYS 4 HD3 LYS 4 20.570 8.362 -6.136 27 HD3 LYS 4 HD2 LYS 4 19.140 9.392 -6.161 28 HE2 LYS 4 HE3 LYS 4 20.995 10.586 -5.174 29 HE3 LYS 4 HE2 LYS 4 19.766 10.280 -3.954 30 HZ1 LYS 4 HZ1 LYS 4 22.065 9.896 -3.185 31 HZ2 LYS 4 HZ2 LYS 4 22.211 8.635 -4.298 32 HZ3 LYS 4 HZ3 LYS 4 21.085 8.528 -3.041 33 H GLN 5 H GLN 5 19.292 3.556 -4.951 34 HA GLN 5 HA GLN 5 16.834 3.854 -6.309 35 HB2 GLN 5 HB3 GLN 5 18.696 2.524 -7.210 36 HB3 GLN 5 HB2 GLN 5 18.508 1.367 -5.900 37 HG2 GLN 5 HG3 GLN 5 16.247 0.843 -6.715 38 HG3 GLN 5 HG2 GLN 5 16.490 1.962 -8.054 39 HE21 GLN 5 HE21 GLN 5 15.956 -0.904 -8.082 40 HE22 GLN 5 HE22 GLN 5 17.266 -1.627 -8.950 41 H LEU 6 H LEU 6 17.823 1.748 -3.631 42 HA LEU 6 HA LEU 6 15.260 0.610 -3.220 43 HB2 LEU 6 HB3 LEU 6 17.598 0.889 -1.323 44 HB3 LEU 6 HB2 LEU 6 16.148 -0.021 -0.964 45 HG LEU 6 HG LEU 6 18.052 -0.645 -3.229 46 HD11 LEU 6 HD11 LEU 6 18.720 -2.555 -1.884 47 HD12 LEU 6 HD12 LEU 6 17.656 -2.028 -0.581 48 HD13 LEU 6 HD13 LEU 6 19.051 -1.046 -1.032 49 HD21 LEU 6 HD21 LEU 6 15.793 -1.336 -3.744 50 HD22 LEU 6 HD22 LEU 6 15.639 -2.108 -2.167 51 HD23 LEU 6 HD23 LEU 6 16.772 -2.748 -3.356 52 H GLU 7 H GLU 7 16.788 3.539 -2.126 53 HA GLU 7 HA GLU 7 15.011 4.225 -0.081 54 HB2 GLU 7 HB3 GLU 7 17.201 5.291 -0.446 55 HB3 GLU 7 HB2 GLU 7 16.600 6.016 -1.928 56 HG2 GLU 7 HG3 GLU 7 14.985 7.319 -0.656 57 HG3 GLU 7 HG2 GLU 7 15.569 6.563 0.844 58 H ASP 8 H ASP 8 14.962 4.933 -3.570 59 HA ASP 8 HA ASP 8 12.614 6.470 -3.603 60 HB2 ASP 8 HB3 ASP 8 13.981 4.752 -5.644 61 HB3 ASP 8 HB2 ASP 8 12.374 5.381 -5.986 62 H LYS 9 H LYS 9 13.093 2.997 -3.938 63 HA LYS 9 HA LYS 9 10.412 2.212 -4.244 64 HB2 LYS 9 HB3 LYS 9 12.236 0.515 -2.575 65 HB3 LYS 9 HB2 LYS 9 11.039 0.030 -3.764 66 HG2 LYS 9 HG3 LYS 9 13.658 1.342 -4.458 67 HG3 LYS 9 HG2 LYS 9 13.361 -0.393 -4.485 68 HD2 LYS 9 HD3 LYS 9 11.910 1.662 -6.159 69 HD3 LYS 9 HD2 LYS 9 13.205 0.612 -6.718 70 HE2 LYS 9 HE3 LYS 9 10.576 -0.373 -5.616 71 HE3 LYS 9 HE2 LYS 9 10.929 -0.183 -7.330 72 HZ1 LYS 9 HZ1 LYS 9 12.381 -1.972 -5.456 73 HZ2 LYS 9 HZ2 LYS 9 12.724 -1.785 -7.099 74 HZ3 LYS 9 HZ3 LYS 9 11.253 -2.463 -6.615 75 H VAL 10 H VAL 10 12.304 2.420 -1.234 76 HA VAL 10 HA VAL 10 10.285 1.393 0.442 77 HB VAL 10 HB VAL 10 12.670 1.489 1.098 78 HG11 VAL 10 HG11 VAL 10 13.163 3.761 0.297 79 HG12 VAL 10 HG12 VAL 10 13.648 3.514 1.975 80 HG13 VAL 10 HG13 VAL 10 12.179 4.417 1.604 81 HG21 VAL 10 HG21 VAL 10 10.920 1.125 2.756 82 HG22 VAL 10 HG22 VAL 10 10.791 2.865 3.009 83 HG23 VAL 10 HG23 VAL 10 12.276 2.018 3.441 84 H GLU 11 H GLU 11 11.088 4.588 -0.673 85 HA GLU 11 HA GLU 11 9.158 5.934 0.971 86 HB2 GLU 11 HB3 GLU 11 10.768 6.792 -1.414 87 HB3 GLU 11 HB2 GLU 11 9.555 7.839 -0.693 88 HG2 GLU 11 HG3 GLU 11 10.777 7.529 1.497 89 HG3 GLU 11 HG2 GLU 11 12.073 6.790 0.555 90 H GLU 12 H GLU 12 9.195 5.018 -2.498 91 HA GLU 12 HA GLU 12 6.725 6.109 -3.189 92 HB2 GLU 12 HB3 GLU 12 8.433 5.159 -4.754 93 HB3 GLU 12 HB2 GLU 12 7.917 3.551 -4.271 94 HG2 GLU 12 HG3 GLU 12 6.911 4.165 -6.375 95 HG3 GLU 12 HG2 GLU 12 5.676 4.016 -5.126 96 H LEU 13 H LEU 13 7.368 2.707 -2.452 97 HA LEU 13 HA LEU 13 4.791 1.768 -2.324 98 HB2 LEU 13 HB3 LEU 13 7.168 0.875 -0.703 99 HB3 LEU 13 HB2 LEU 13 5.692 -0.046 -0.913 100 HG LEU 13 HG LEU 13 7.533 0.751 -3.169 101 HD11 LEU 13 HD11 LEU 13 8.670 -0.795 -1.712 102 HD12 LEU 13 HD12 LEU 13 8.172 -1.629 -3.185 103 HD13 LEU 13 HD13 LEU 13 7.264 -1.857 -1.690 104 HD21 LEU 13 HD21 LEU 13 5.228 0.434 -3.874 105 HD22 LEU 13 HD22 LEU 13 5.178 -1.129 -3.059 106 HD23 LEU 13 HD23 LEU 13 6.238 -0.894 -4.448 107 H LEU 14 H LEU 14 6.625 3.295 0.310 108 HA LEU 14 HA LEU 14 4.758 2.750 2.339 109 HB2 LEU 14 HB3 LEU 14 7.025 3.388 2.885 110 HB3 LEU 14 HB2 LEU 14 6.818 4.951 2.129 111 HG LEU 14 HG LEU 14 5.101 5.496 3.865 112 HD11 LEU 14 HD11 LEU 14 6.073 2.926 5.101 113 HD12 LEU 14 HD12 LEU 14 4.448 3.250 4.496 114 HD13 LEU 14 HD13 LEU 14 5.058 4.125 5.900 115 HD21 LEU 14 HD21 LEU 14 6.730 5.885 5.650 116 HD22 LEU 14 HD22 LEU 14 7.390 6.288 4.065 117 HD23 LEU 14 HD23 LEU 14 7.856 4.783 4.859 118 H SER 15 H SER 15 5.168 5.603 0.235 119 HA SER 15 HA SER 15 2.923 6.956 1.368 120 HB2 SER 15 HB3 SER 15 3.178 8.386 -0.756 121 HB3 SER 15 HB2 SER 15 4.532 8.364 0.373 122 HG SER 15 HG SER 15 5.660 7.051 -0.979 123 H LYS 16 H LYS 16 3.413 4.661 -1.187 124 HA LYS 16 HA LYS 16 0.874 4.901 -2.432 125 HB2 LYS 16 HB3 LYS 16 2.883 3.764 -3.416 126 HB3 LYS 16 HB2 LYS 16 2.658 2.463 -2.259 127 HG2 LYS 16 HG3 LYS 16 1.765 1.799 -4.370 128 HG3 LYS 16 HG2 LYS 16 0.432 2.028 -3.238 129 HD2 LYS 16 HD3 LYS 16 -0.025 4.226 -4.192 130 HD3 LYS 16 HD2 LYS 16 1.333 4.043 -5.301 131 HE2 LYS 16 HE3 LYS 16 0.234 2.241 -6.447 132 HE3 LYS 16 HE2 LYS 16 -1.043 2.186 -5.233 133 HZ1 LYS 16 HZ1 LYS 16 -1.711 3.320 -7.280 134 HZ2 LYS 16 HZ2 LYS 16 -0.508 4.482 -7.034 135 HZ3 LYS 16 HZ3 LYS 16 -1.788 4.343 -5.938 136 H ASN 17 H ASN 17 2.189 2.689 0.020 137 HA ASN 17 HA ASN 17 -0.101 1.209 0.588 138 HB2 ASN 17 HB3 ASN 17 2.186 0.769 1.467 139 HB3 ASN 17 HB2 ASN 17 2.007 2.124 2.558 140 HD21 ASN 17 HD21 ASN 17 2.198 0.863 4.421 141 HD22 ASN 17 HD22 ASN 17 0.956 -0.225 4.922 142 H TYR 18 H TYR 18 0.995 4.283 1.879 143 HA TYR 18 HA TYR 18 -0.886 4.755 3.826 144 HB2 TYR 18 HB3 TYR 18 1.080 6.106 3.569 145 HB3 TYR 18 HB2 TYR 18 0.599 6.593 1.951 146 HD1 TYR 18 HD1 TYR 18 -0.177 6.956 5.532 147 HD2 TYR 18 HD2 TYR 18 -0.827 8.415 1.600 148 HE1 TYR 18 HE1 TYR 18 -1.261 8.941 6.455 149 HE2 TYR 18 HE2 TYR 18 -1.912 10.400 2.506 150 HH TYR 18 HH TYR 18 -3.040 11.145 4.507 151 H HIS 19 H HIS 19 -1.066 5.229 0.336 152 HA HIS 19 HA HIS 19 -3.507 6.661 0.337 153 HB2 HIS 19 HB3 HIS 19 -1.903 6.599 -1.584 154 HB3 HIS 19 HB2 HIS 19 -2.390 4.931 -1.885 155 HD1 HIS 19 HD1 HIS 19 -4.119 4.721 -3.644 156 HD2 HIS 19 HD2 HIS 19 -4.341 8.386 -1.693 157 HE1 HIS 19 HE1 HIS 19 -5.988 5.974 -4.764 158 HE2 HIS 19 HE2 HIS 19 -5.959 8.257 -3.700 159 H LEU 20 H LEU 20 -2.786 3.227 -0.321 160 HA LEU 20 HA LEU 20 -5.511 2.578 -0.771 161 HB2 LEU 20 HB3 LEU 20 -3.173 0.756 -0.204 162 HB3 LEU 20 HB2 LEU 20 -4.787 0.193 -0.552 163 HG LEU 20 HG LEU 20 -3.516 0.021 -2.558 164 HD11 LEU 20 HD11 LEU 20 -5.857 0.827 -2.722 165 HD12 LEU 20 HD12 LEU 20 -4.838 1.286 -4.083 166 HD13 LEU 20 HD13 LEU 20 -5.234 2.470 -2.838 167 HD21 LEU 20 HD21 LEU 20 -2.858 2.940 -2.264 168 HD22 LEU 20 HD22 LEU 20 -2.435 1.913 -3.634 169 HD23 LEU 20 HD23 LEU 20 -1.737 1.595 -2.046 170 H GLU 21 H GLU 21 -3.446 2.311 2.088 171 HA GLU 21 HA GLU 21 -5.178 0.781 3.657 172 HB2 GLU 21 HB3 GLU 21 -2.802 1.362 4.220 173 HB3 GLU 21 HB2 GLU 21 -3.360 2.968 4.671 174 HG2 GLU 21 HG3 GLU 21 -4.891 1.862 6.323 175 HG3 GLU 21 HG2 GLU 21 -4.061 0.349 5.966 176 H ASN 22 H ASN 22 -5.019 4.265 3.170 177 HA ASN 22 HA ASN 22 -7.053 4.886 5.063 178 HB2 ASN 22 HB3 ASN 22 -5.794 6.447 2.812 179 HB3 ASN 22 HB2 ASN 22 -7.071 7.117 3.819 180 HD21 ASN 22 HD21 ASN 22 -5.652 8.725 4.537 181 HD22 ASN 22 HD22 ASN 22 -4.438 8.391 5.721 182 H GLU 23 H GLU 23 -7.019 4.272 1.590 183 HA GLU 23 HA GLU 23 -9.681 5.063 1.075 184 HB2 GLU 23 HB3 GLU 23 -7.915 3.089 -0.374 185 HB3 GLU 23 HB2 GLU 23 -9.472 3.645 -0.972 186 HG2 GLU 23 HG3 GLU 23 -7.019 5.320 -0.494 187 HG3 GLU 23 HG2 GLU 23 -7.707 4.865 -2.051 188 H VAL 24 H VAL 24 -8.249 1.969 2.005 189 HA VAL 24 HA VAL 24 -10.493 0.339 1.830 190 HB VAL 24 HB VAL 24 -8.252 0.244 3.866 191 HG11 VAL 24 HG11 VAL 24 -10.233 -0.964 4.676 192 HG12 VAL 24 HG12 VAL 24 -8.907 -2.060 4.292 193 HG13 VAL 24 HG13 VAL 24 -10.266 -1.898 3.179 194 HG21 VAL 24 HG21 VAL 24 -8.699 -1.216 1.269 195 HG22 VAL 24 HG22 VAL 24 -7.421 -1.589 2.420 196 HG23 VAL 24 HG23 VAL 24 -7.450 -0.021 1.613 197 H ALA 25 H ALA 25 -9.341 2.275 4.575 198 HA ALA 25 HA ALA 25 -11.329 1.688 6.416 199 HB1 ALA 25 HB1 ALA 25 -10.715 3.761 7.529 200 HB2 ALA 25 HB2 ALA 25 -9.889 4.314 6.072 201 HB3 ALA 25 HB3 ALA 25 -9.279 2.915 6.955 202 H ARG 26 H ARG 26 -11.305 4.187 3.913 203 HA ARG 26 HA ARG 26 -13.665 5.509 4.627 204 HB2 ARG 26 HB3 ARG 26 -12.557 5.167 1.836 205 HB3 ARG 26 HB2 ARG 26 -13.661 6.422 2.377 206 HG2 ARG 26 HG3 ARG 26 -10.814 6.073 3.285 207 HG3 ARG 26 HG2 ARG 26 -11.393 7.258 2.115 208 HD2 ARG 26 HD2 ARG 26 -12.799 8.271 3.848 209 HD3 ARG 26 HD1 ARG 26 -12.206 7.087 5.013 210 HE ARG 26 HE ARG 26 -10.040 8.452 3.812 211 HH11 ARG 26 HH11 ARG 26 -12.599 8.914 6.151 212 HH12 ARG 26 HH12 ARG 26 -11.735 10.122 7.050 213 HH21 ARG 26 HH21 ARG 26 -8.895 10.036 4.994 214 HH22 ARG 26 HH22 ARG 26 -9.617 10.742 6.404 215 H LEU 27 H LEU 27 -13.069 3.022 2.170 216 HA LEU 27 HA LEU 27 -15.747 2.710 1.393 217 HB2 LEU 27 HB3 LEU 27 -13.473 0.730 1.254 218 HB3 LEU 27 HB2 LEU 27 -14.991 0.585 0.384 219 HG LEU 27 HG LEU 27 -13.028 2.837 0.016 220 HD11 LEU 27 HD11 LEU 27 -12.096 0.709 -0.716 221 HD12 LEU 27 HD12 LEU 27 -12.454 1.763 -2.082 222 HD13 LEU 27 HD13 LEU 27 -13.530 0.419 -1.700 223 HD21 LEU 27 HD21 LEU 27 -15.485 2.040 -1.535 224 HD22 LEU 27 HD22 LEU 27 -14.359 3.320 -1.986 225 HD23 LEU 27 HD23 LEU 27 -15.316 3.467 -0.513 226 H LYS 28 H LYS 28 -14.062 1.534 4.175 227 HA LYS 28 HA LYS 28 -15.643 -0.744 4.698 228 HB2 LYS 28 HB3 LYS 28 -13.942 1.000 6.468 229 HB3 LYS 28 HB2 LYS 28 -14.869 -0.346 7.110 230 HG2 LYS 28 HG3 LYS 28 -12.725 -0.539 5.006 231 HG3 LYS 28 HG2 LYS 28 -12.539 -0.944 6.713 232 HD2 LYS 28 HD3 LYS 28 -14.405 -2.616 6.404 233 HD3 LYS 28 HD2 LYS 28 -14.266 -2.317 4.656 234 HE2 LYS 28 HE3 LYS 28 -12.983 -4.274 5.235 235 HE3 LYS 28 HE2 LYS 28 -11.882 -2.975 4.782 236 HZ1 LYS 28 HZ1 LYS 28 -11.181 -4.216 6.778 237 HZ2 LYS 28 HZ2 LYS 28 -12.574 -3.678 7.582 238 HZ3 LYS 28 HZ3 LYS 28 -11.402 -2.565 7.074 239 H LYS 29 H LYS 29 -15.779 2.573 6.106 240 HA LYS 29 HA LYS 29 -18.208 1.849 7.473 241 HB2 LYS 29 HB3 LYS 29 -18.320 4.062 8.358 242 HB3 LYS 29 HB2 LYS 29 -16.668 3.492 8.469 243 HG2 LYS 29 HG3 LYS 29 -17.481 5.143 6.133 244 HG3 LYS 29 HG2 LYS 29 -17.207 5.919 7.693 245 HD2 LYS 29 HD3 LYS 29 -15.223 4.128 6.308 246 HD3 LYS 29 HD2 LYS 29 -15.227 5.881 6.217 247 HE2 LYS 29 HE3 LYS 29 -15.003 4.314 8.778 248 HE3 LYS 29 HE2 LYS 29 -13.633 4.967 7.891 249 HZ1 LYS 29 HZ1 LYS 29 -15.855 6.582 9.013 250 HZ2 LYS 29 HZ2 LYS 29 -14.483 7.182 8.228 251 HZ3 LYS 29 HZ3 LYS 29 -14.332 6.401 9.721 252 H LEU 30 H LEU 30 -17.573 2.720 4.338 253 HA LEU 30 HA LEU 30 -20.134 3.956 3.842 254 HB2 LEU 30 HB3 LEU 30 -17.801 3.132 2.171 255 HB3 LEU 30 HB2 LEU 30 -19.353 3.264 1.380 256 HG LEU 30 HG LEU 30 -19.443 5.601 1.652 257 HD11 LEU 30 HD11 LEU 30 -18.899 5.693 4.040 258 HD12 LEU 30 HD12 LEU 30 -17.961 6.870 3.121 259 HD13 LEU 30 HD13 LEU 30 -17.204 5.374 3.669 260 HD21 LEU 30 HD21 LEU 30 -16.542 4.892 1.266 261 HD22 LEU 30 HD22 LEU 30 -17.311 6.411 0.805 262 HD23 LEU 30 HD23 LEU 30 -17.787 4.907 0.017 263 H VAL 31 H VAL 31 -18.626 0.849 2.854 264 HA VAL 31 HA VAL 31 -21.067 -0.281 1.998 265 HB VAL 31 HB VAL 31 -18.844 -1.083 1.266 266 HG11 VAL 31 HG11 VAL 31 -18.680 -2.289 4.021 267 HG12 VAL 31 HG12 VAL 31 -17.641 -1.025 3.365 268 HG13 VAL 31 HG13 VAL 31 -17.593 -2.651 2.682 269 HG21 VAL 31 HG21 VAL 31 -20.699 -2.490 0.828 270 HG22 VAL 31 HG22 VAL 31 -20.713 -3.091 2.485 271 HG23 VAL 31 HG23 VAL 31 -19.388 -3.519 1.406 272 H GLY 32 H GLY 32 -19.498 -0.201 5.158 273 HA2 GLY 32 HA3 GLY 32 -21.060 -0.315 7.053 274 HA3 GLY 32 HA2 GLY 32 -21.835 -1.656 6.222 275 H GLU 33 H GLU 33 -19.474 -2.967 5.383 276 HA GLU 33 HA GLU 33 -18.017 -4.572 6.034 277 HB2 GLU 33 HB3 GLU 33 -16.751 -2.654 6.999 278 HB3 GLU 33 HB2 GLU 33 -17.628 -2.865 8.507 279 HG2 GLU 33 HG3 GLU 33 -16.685 -5.157 8.672 280 HG3 GLU 33 HG2 GLU 33 -15.712 -4.811 7.244 281 H1 GLY 1 H1 GLY 1 26.526 1.462 3.379 282 H2 GLY 1 H2 GLY 1 25.294 1.926 4.442 283 H3 GLY 1 H3 GLY 1 24.990 1.838 2.779 284 HA2 GLY 1 HA2 GLY 1 25.350 -0.553 2.812 285 HA3 GLY 1 HA3 GLY 1 25.646 -0.454 4.543 286 H SER 2 H SER 2 23.968 -1.559 5.363 287 HA SER 2 HA SER 2 21.866 -2.027 6.067 288 HB2 SER 2 HB3 SER 2 21.170 0.756 5.124 289 HB3 SER 2 HB2 SER 2 20.321 -0.193 6.338 290 HG SER 2 HG SER 2 22.582 -0.168 7.372 291 H MET 3 H MET 3 22.609 -2.636 3.305 292 HA MET 3 HA MET 3 20.460 -2.065 1.555 293 HB2 MET 3 HB3 MET 3 22.535 -4.260 1.496 294 HB3 MET 3 HB2 MET 3 21.361 -4.001 0.214 295 HG2 MET 3 HG3 MET 3 22.261 -1.716 -0.088 296 HG3 MET 3 HG2 MET 3 23.497 -2.080 1.116 297 HE1 MET 3 HE1 MET 3 23.147 -4.215 -2.968 298 HE2 MET 3 HE2 MET 3 22.083 -2.910 -2.448 299 HE3 MET 3 HE3 MET 3 22.008 -4.480 -1.648 300 H LYS 4 H LYS 4 21.191 -4.816 3.649 301 HA LYS 4 HA LYS 4 18.929 -6.349 2.945 302 HB2 LYS 4 HB3 LYS 4 20.907 -7.262 4.109 303 HB3 LYS 4 HB2 LYS 4 20.470 -6.350 5.541 304 HG2 LYS 4 HG3 LYS 4 18.454 -7.626 5.813 305 HG3 LYS 4 HG2 LYS 4 18.739 -8.464 4.288 306 HD2 LYS 4 HD3 LYS 4 20.766 -8.582 6.488 307 HD3 LYS 4 HD2 LYS 4 19.353 -9.633 6.522 308 HE2 LYS 4 HE3 LYS 4 21.220 -10.791 5.517 309 HE3 LYS 4 HE2 LYS 4 19.973 -10.508 4.308 310 HZ1 LYS 4 HZ1 LYS 4 22.258 -10.079 3.522 311 HZ2 LYS 4 HZ2 LYS 4 22.389 -8.812 4.633 312 HZ3 LYS 4 HZ3 LYS 4 21.248 -8.733 3.387 313 H GLN 5 H GLN 5 19.420 -3.785 5.313 314 HA GLN 5 HA GLN 5 16.991 -4.121 6.711 315 HB2 GLN 5 HB3 GLN 5 18.846 -2.766 7.587 316 HB3 GLN 5 HB2 GLN 5 18.621 -1.610 6.281 317 HG2 GLN 5 HG3 GLN 5 16.365 -1.122 7.129 318 HG3 GLN 5 HG2 GLN 5 16.647 -2.237 8.466 319 HE21 GLN 5 HE21 GLN 5 16.073 0.617 8.512 320 HE22 GLN 5 HE22 GLN 5 17.393 1.358 9.351 321 H LEU 6 H LEU 6 17.911 -2.001 4.022 322 HA LEU 6 HA LEU 6 15.329 -0.895 3.650 323 HB2 LEU 6 HB3 LEU 6 17.643 -1.143 1.720 324 HB3 LEU 6 HB2 LEU 6 16.176 -0.251 1.381 325 HG LEU 6 HG LEU 6 18.103 0.394 3.619 326 HD11 LEU 6 HD11 LEU 6 18.728 2.315 2.270 327 HD12 LEU 6 HD12 LEU 6 17.655 1.774 0.980 328 HD13 LEU 6 HD13 LEU 6 19.069 0.812 1.411 329 HD21 LEU 6 HD21 LEU 6 15.843 1.057 4.169 330 HD22 LEU 6 HD22 LEU 6 15.658 1.827 2.594 331 HD23 LEU 6 HD23 LEU 6 16.800 2.482 3.767 332 H GLU 7 H GLU 7 16.879 -3.801 2.530 333 HA GLU 7 HA GLU 7 15.083 -4.506 0.509 334 HB2 GLU 7 HB3 GLU 7 17.291 -5.545 0.836 335 HB3 GLU 7 HB2 GLU 7 16.725 -6.280 2.327 336 HG2 GLU 7 HG3 GLU 7 15.106 -7.601 1.076 337 HG3 GLU 7 HG2 GLU 7 15.665 -6.841 -0.433 338 H ASP 8 H ASP 8 15.091 -5.219 3.997 339 HA ASP 8 HA ASP 8 12.768 -6.794 4.058 340 HB2 ASP 8 HB3 ASP 8 14.144 -5.068 6.084 341 HB3 ASP 8 HB2 ASP 8 12.548 -5.709 6.448 342 H LYS 9 H LYS 9 13.206 -3.315 4.386 343 HA LYS 9 HA LYS 9 10.520 -2.562 4.740 344 HB2 LYS 9 HB3 LYS 9 12.297 -0.844 3.044 345 HB3 LYS 9 HB2 LYS 9 11.111 -0.373 4.249 346 HG2 LYS 9 HG3 LYS 9 13.754 -1.653 4.906 347 HG3 LYS 9 HG2 LYS 9 13.437 0.079 4.940 348 HD2 LYS 9 HD3 LYS 9 12.038 -1.997 6.634 349 HD3 LYS 9 HD2 LYS 9 13.324 -0.925 7.176 350 HE2 LYS 9 HE3 LYS 9 10.667 0.018 6.103 351 HE3 LYS 9 HE2 LYS 9 11.042 -0.169 7.814 352 HZ1 LYS 9 HZ1 LYS 9 12.453 1.644 5.928 353 HZ2 LYS 9 HZ2 LYS 9 12.806 1.460 7.572 354 HZ3 LYS 9 HZ3 LYS 9 11.324 2.114 7.094 355 H VAL 10 H VAL 10 12.369 -2.744 1.702 356 HA VAL 10 HA VAL 10 10.314 -1.742 0.057 357 HB VAL 10 HB VAL 10 12.690 -1.806 -0.631 358 HG11 VAL 10 HG11 VAL 10 13.224 -4.072 0.159 359 HG12 VAL 10 HG12 VAL 10 13.683 -3.815 -1.524 360 HG13 VAL 10 HG13 VAL 10 12.232 -4.739 -1.135 361 HG21 VAL 10 HG21 VAL 10 10.916 -1.460 -2.264 362 HG22 VAL 10 HG22 VAL 10 10.802 -3.203 -2.515 363 HG23 VAL 10 HG23 VAL 10 12.271 -2.339 -2.969 364 H GLU 11 H GLU 11 11.174 -4.928 1.152 365 HA GLU 11 HA GLU 11 9.235 -6.296 -0.465 366 HB2 GLU 11 HB3 GLU 11 10.885 -7.139 1.899 367 HB3 GLU 11 HB2 GLU 11 9.679 -8.201 1.186 368 HG2 GLU 11 HG3 GLU 11 10.874 -7.876 -1.012 369 HG3 GLU 11 HG2 GLU 11 12.166 -7.108 -0.089 370 H GLU 12 H GLU 12 9.313 -5.381 3.005 371 HA GLU 12 HA GLU 12 6.863 -6.502 3.727 372 HB2 GLU 12 HB3 GLU 12 8.584 -5.535 5.271 373 HB3 GLU 12 HB2 GLU 12 8.039 -3.933 4.800 374 HG2 GLU 12 HG3 GLU 12 7.072 -4.574 6.920 375 HG3 GLU 12 HG2 GLU 12 5.817 -4.426 5.689 376 H LEU 13 H LEU 13 7.455 -3.093 2.984 377 HA LEU 13 HA LEU 13 4.864 -2.187 2.898 378 HB2 LEU 13 HB3 LEU 13 7.207 -1.265 1.244 379 HB3 LEU 13 HB2 LEU 13 5.723 -0.360 1.477 380 HG LEU 13 HG LEU 13 7.605 -1.141 3.702 381 HD11 LEU 13 HD11 LEU 13 8.699 0.425 2.233 382 HD12 LEU 13 HD12 LEU 13 8.212 1.250 3.714 383 HD13 LEU 13 HD13 LEU 13 7.279 1.467 2.233 384 HD21 LEU 13 HD21 LEU 13 5.310 -0.854 4.445 385 HD22 LEU 13 HD22 LEU 13 5.223 0.708 3.632 386 HD23 LEU 13 HD23 LEU 13 6.310 0.488 5.004 387 H LEU 14 H LEU 14 6.678 -3.690 0.237 388 HA LEU 14 HA LEU 14 4.779 -3.166 -1.768 389 HB2 LEU 14 HB3 LEU 14 7.049 -3.776 -2.344 390 HB3 LEU 14 HB2 LEU 14 6.869 -5.342 -1.588 391 HG LEU 14 HG LEU 14 5.136 -5.905 -3.299 392 HD11 LEU 14 HD11 LEU 14 6.055 -3.319 -4.544 393 HD12 LEU 14 HD12 LEU 14 4.444 -3.667 -3.916 394 HD13 LEU 14 HD13 LEU 14 5.044 -4.531 -5.331 395 HD21 LEU 14 HD21 LEU 14 6.746 -6.267 -5.107 396 HD22 LEU 14 HD22 LEU 14 7.432 -6.664 -3.531 397 HD23 LEU 14 HD23 LEU 14 7.868 -5.151 -4.329 398 H SER 15 H SER 15 5.255 -6.018 0.328 399 HA SER 15 HA SER 15 3.011 -7.397 -0.773 400 HB2 SER 15 HB3 SER 15 3.315 -8.831 1.338 401 HB3 SER 15 HB2 SER 15 4.658 -8.785 0.195 402 HG SER 15 HG SER 15 5.781 -7.470 1.547 403 H LYS 16 H LYS 16 3.507 -5.108 1.785 404 HA LYS 16 HA LYS 16 0.988 -5.374 3.058 405 HB2 LYS 16 HB3 LYS 16 2.996 -4.216 4.017 406 HB3 LYS 16 HB2 LYS 16 2.742 -2.917 2.863 407 HG2 LYS 16 HG3 LYS 16 1.867 -2.263 4.983 408 HG3 LYS 16 HG2 LYS 16 0.523 -2.509 3.868 409 HD2 LYS 16 HD3 LYS 16 0.105 -4.713 4.826 410 HD3 LYS 16 HD2 LYS 16 1.476 -4.515 5.916 411 HE2 LYS 16 HE3 LYS 16 0.373 -2.725 7.078 412 HE3 LYS 16 HE2 LYS 16 -0.925 -2.688 5.885 413 HZ1 LYS 16 HZ1 LYS 16 -1.537 -3.830 7.951 414 HZ2 LYS 16 HZ2 LYS 16 -0.334 -4.983 7.672 415 HZ3 LYS 16 HZ3 LYS 16 -1.637 -4.851 6.605 416 H ASN 17 H ASN 17 2.243 -3.147 0.590 417 HA ASN 17 HA ASN 17 -0.072 -1.692 0.051 418 HB2 ASN 17 HB3 ASN 17 2.196 -1.221 -0.860 419 HB3 ASN 17 HB2 ASN 17 2.022 -2.578 -1.946 420 HD21 ASN 17 HD21 ASN 17 2.177 -1.310 -3.813 421 HD22 ASN 17 HD22 ASN 17 0.913 -0.240 -4.298 422 H TYR 18 H TYR 18 1.042 -4.757 -1.244 423 HA TYR 18 HA TYR 18 -0.852 -5.246 -3.176 424 HB2 TYR 18 HB3 TYR 18 1.134 -6.572 -2.947 425 HB3 TYR 18 HB2 TYR 18 0.679 -7.068 -1.323 426 HD1 TYR 18 HD1 TYR 18 -0.138 -7.433 -4.893 427 HD2 TYR 18 HD2 TYR 18 -0.721 -8.909 -0.957 428 HE1 TYR 18 HE1 TYR 18 -1.205 -9.432 -5.809 429 HE2 TYR 18 HE2 TYR 18 -1.790 -10.909 -1.856 430 HH TYR 18 HH TYR 18 -2.931 -11.667 -3.863 431 H HIS 19 H HIS 19 -0.984 -5.725 0.315 432 HA HIS 19 HA HIS 19 -3.409 -7.191 0.346 433 HB2 HIS 19 HB3 HIS 19 -1.777 -7.106 2.242 434 HB3 HIS 19 HB2 HIS 19 -2.281 -5.445 2.550 435 HD1 HIS 19 HD1 HIS 19 -3.990 -5.258 4.332 436 HD2 HIS 19 HD2 HIS 19 -4.180 -8.927 2.386 437 HE1 HIS 19 HE1 HIS 19 -5.826 -6.536 5.474 438 HE2 HIS 19 HE2 HIS 19 -5.800 -8.812 4.395 439 H LEU 20 H LEU 20 -2.720 -3.744 0.990 440 HA LEU 20 HA LEU 20 -5.446 -3.132 1.483 441 HB2 LEU 20 HB3 LEU 20 -3.142 -1.278 0.887 442 HB3 LEU 20 HB2 LEU 20 -4.759 -0.738 1.259 443 HG LEU 20 HG LEU 20 -3.462 -0.552 3.248 444 HD11 LEU 20 HD11 LEU 20 -5.791 -1.388 3.444 445 HD12 LEU 20 HD12 LEU 20 -4.746 -1.836 4.790 446 HD13 LEU 20 HD13 LEU 20 -5.144 -3.025 3.549 447 HD21 LEU 20 HD21 LEU 20 -2.769 -3.461 2.943 448 HD22 LEU 20 HD22 LEU 20 -2.342 -2.430 4.308 449 HD23 LEU 20 HD23 LEU 20 -1.671 -2.101 2.711 450 H GLU 21 H GLU 21 -3.427 -2.840 -1.402 451 HA GLU 21 HA GLU 21 -5.201 -1.328 -2.943 452 HB2 GLU 21 HB3 GLU 21 -2.827 -1.874 -3.542 453 HB3 GLU 21 HB2 GLU 21 -3.369 -3.486 -3.986 454 HG2 GLU 21 HG3 GLU 21 -4.936 -2.406 -5.617 455 HG3 GLU 21 HG2 GLU 21 -4.134 -0.878 -5.267 456 H ASN 22 H ASN 22 -4.989 -4.808 -2.457 457 HA ASN 22 HA ASN 22 -7.036 -5.455 -4.328 458 HB2 ASN 22 HB3 ASN 22 -5.728 -7.005 -2.097 459 HB3 ASN 22 HB2 ASN 22 -7.010 -7.689 -3.091 460 HD21 ASN 22 HD21 ASN 22 -5.600 -9.277 -3.856 461 HD22 ASN 22 HD22 ASN 22 -4.390 -8.924 -5.041 462 H GLU 23 H GLU 23 -6.965 -4.857 -0.852 463 HA GLU 23 HA GLU 23 -9.609 -5.670 -0.300 464 HB2 GLU 23 HB3 GLU 23 -7.840 -3.673 1.117 465 HB3 GLU 23 HB2 GLU 23 -9.381 -4.245 1.741 466 HG2 GLU 23 HG3 GLU 23 -6.930 -5.908 1.216 467 HG3 GLU 23 HG2 GLU 23 -7.576 -5.439 2.789 468 H VAL 24 H VAL 24 -8.231 -2.556 -1.247 469 HA VAL 24 HA VAL 24 -10.496 -0.957 -1.044 470 HB VAL 24 HB VAL 24 -8.281 -0.831 -3.107 471 HG11 VAL 24 HG11 VAL 24 -10.287 0.349 -3.894 472 HG12 VAL 24 HG12 VAL 24 -8.973 1.465 -3.523 473 HG13 VAL 24 HG13 VAL 24 -10.316 1.281 -2.396 474 HG21 VAL 24 HG21 VAL 24 -8.714 0.623 -0.504 475 HG22 VAL 24 HG22 VAL 24 -7.457 1.014 -1.673 476 HG23 VAL 24 HG23 VAL 24 -7.451 -0.553 -0.863 477 H ALA 25 H ALA 25 -9.350 -2.875 -3.811 478 HA ALA 25 HA ALA 25 -11.371 -2.312 -5.621 479 HB1 ALA 25 HB1 ALA 25 -10.746 -4.381 -6.742 480 HB2 ALA 25 HB2 ALA 25 -9.887 -4.916 -5.298 481 HB3 ALA 25 HB3 ALA 25 -9.314 -3.509 -6.193 482 H ARG 26 H ARG 26 -11.282 -4.809 -3.121 483 HA ARG 26 HA ARG 26 -13.632 -6.165 -3.801 484 HB2 ARG 26 HB3 ARG 26 -12.495 -5.811 -1.023 485 HB3 ARG 26 HB2 ARG 26 -13.589 -7.079 -1.554 486 HG2 ARG 26 HG3 ARG 26 -10.760 -6.691 -2.500 487 HG3 ARG 26 HG2 ARG 26 -11.306 -7.886 -1.323 488 HD2 ARG 26 HD2 ARG 26 -12.727 -8.910 -3.039 489 HD3 ARG 26 HD1 ARG 26 -12.160 -7.720 -4.211 490 HE ARG 26 HE ARG 26 -9.967 -9.062 -3.042 491 HH11 ARG 26 HH11 ARG 26 -12.550 -9.556 -5.347 492 HH12 ARG 26 HH12 ARG 26 -11.681 -10.753 -6.251 493 HH21 ARG 26 HH21 ARG 26 -8.817 -10.627 -4.239 494 HH22 ARG 26 HH22 ARG 26 -9.549 -11.345 -5.635 495 H LEU 27 H LEU 27 -13.038 -3.672 -1.352 496 HA LEU 27 HA LEU 27 -15.711 -3.400 -0.538 497 HB2 LEU 27 HB3 LEU 27 -13.463 -1.388 -0.425 498 HB3 LEU 27 HB2 LEU 27 -14.971 -1.267 0.466 499 HG LEU 27 HG LEU 27 -12.969 -3.489 0.802 500 HD11 LEU 27 HD11 LEU 27 -12.054 -1.351 1.525 501 HD12 LEU 27 HD12 LEU 27 -12.381 -2.410 2.896 502 HD13 LEU 27 HD13 LEU 27 -13.479 -1.080 2.528 503 HD21 LEU 27 HD21 LEU 27 -15.415 -2.729 2.388 504 HD22 LEU 27 HD22 LEU 27 -14.264 -3.993 2.823 505 HD23 LEU 27 HD23 LEU 27 -15.239 -4.153 1.363 506 H LYS 28 H LYS 28 -14.078 -2.193 -3.338 507 HA LYS 28 HA LYS 28 -15.697 0.060 -3.837 508 HB2 LYS 28 HB3 LYS 28 -13.998 -1.659 -5.634 509 HB3 LYS 28 HB2 LYS 28 -14.953 -0.325 -6.261 510 HG2 LYS 28 HG3 LYS 28 -12.781 -0.105 -4.187 511 HG3 LYS 28 HG2 LYS 28 -12.627 0.304 -5.895 512 HD2 LYS 28 HD3 LYS 28 -14.510 1.949 -5.558 513 HD3 LYS 28 HD2 LYS 28 -14.340 1.651 -3.811 514 HE2 LYS 28 HE3 LYS 28 -13.095 3.629 -4.415 515 HE3 LYS 28 HE2 LYS 28 -11.970 2.345 -3.975 516 HZ1 LYS 28 HZ1 LYS 28 -11.317 3.590 -5.985 517 HZ2 LYS 28 HZ2 LYS 28 -12.716 3.032 -6.767 518 HZ3 LYS 28 HZ3 LYS 28 -11.520 1.935 -6.273 519 H LYS 29 H LYS 29 -15.811 -3.260 -5.239 520 HA LYS 29 HA LYS 29 -18.269 -2.567 -6.574 521 HB2 LYS 29 HB3 LYS 29 -18.361 -4.776 -7.467 522 HB3 LYS 29 HB2 LYS 29 -16.717 -4.182 -7.596 523 HG2 LYS 29 HG3 LYS 29 -17.472 -5.851 -5.253 524 HG3 LYS 29 HG2 LYS 29 -17.215 -6.620 -6.819 525 HD2 LYS 29 HD3 LYS 29 -15.231 -4.805 -5.466 526 HD3 LYS 29 HD2 LYS 29 -15.210 -6.557 -5.371 527 HE2 LYS 29 HE3 LYS 29 -15.033 -4.984 -7.933 528 HE3 LYS 29 HE2 LYS 29 -13.648 -5.639 -7.066 529 HZ1 LYS 29 HZ1 LYS 29 -15.883 -7.254 -8.170 530 HZ2 LYS 29 HZ2 LYS 29 -14.492 -7.852 -7.414 531 HZ3 LYS 29 HZ3 LYS 29 -14.371 -7.061 -8.902 532 H LEU 30 H LEU 30 -17.580 -3.422 -3.451 533 HA LEU 30 HA LEU 30 -20.115 -4.699 -2.922 534 HB2 LEU 30 HB3 LEU 30 -17.769 -3.843 -1.285 535 HB3 LEU 30 HB2 LEU 30 -19.306 -3.996 -0.469 536 HG LEU 30 HG LEU 30 -19.369 -6.335 -0.744 537 HD11 LEU 30 HD11 LEU 30 -18.856 -6.415 -3.139 538 HD12 LEU 30 HD12 LEU 30 -17.891 -7.581 -2.234 539 HD13 LEU 30 HD13 LEU 30 -17.162 -6.075 -2.790 540 HD21 LEU 30 HD21 LEU 30 -16.471 -5.585 -0.398 541 HD22 LEU 30 HD22 LEU 30 -17.213 -7.114 0.075 542 HD23 LEU 30 HD23 LEU 30 -17.698 -5.615 0.868 543 H VAL 31 H VAL 31 -18.637 -1.573 -1.954 544 HA VAL 31 HA VAL 31 -21.074 -0.473 -1.058 545 HB VAL 31 HB VAL 31 -18.847 0.354 -0.360 546 HG11 VAL 31 HG11 VAL 31 -18.745 1.562 -3.118 547 HG12 VAL 31 HG12 VAL 31 -17.677 0.313 -2.477 548 HG13 VAL 31 HG13 VAL 31 -17.640 1.940 -1.797 549 HG21 VAL 31 HG21 VAL 31 -20.710 1.737 0.107 550 HG22 VAL 31 HG22 VAL 31 -20.759 2.337 -1.548 551 HG23 VAL 31 HG23 VAL 31 -19.423 2.783 -0.489 552 H GLY 32 H GLY 32 -19.556 -0.530 -4.244 553 HA2 GLY 32 HA3 GLY 32 -21.150 -0.424 -6.114 554 HA3 GLY 32 HA2 GLY 32 -21.917 0.915 -5.273 555 H GLU 33 H GLU 33 -19.567 2.250 -4.470 556 HA GLU 33 HA GLU 33 -18.138 3.866 -5.145 557 HB2 GLU 33 HB3 GLU 33 -16.861 1.963 -6.123 558 HB3 GLU 33 HB2 GLU 33 -17.756 2.166 -7.623 559 HG2 GLU 33 HG3 GLU 33 -16.847 4.472 -7.790 560 HG3 GLU 33 HG2 GLU 33 -15.855 4.136 -6.372 Start of MODEL 17 1 H1 GLY 1 H1 GLY 1 26.002 -0.348 -3.223 2 H2 GLY 1 H2 GLY 1 26.609 -0.180 -4.790 3 H3 GLY 1 H3 GLY 1 26.647 -1.688 -4.029 4 HA2 GLY 1 HA2 GLY 1 24.876 -1.593 -5.668 5 HA3 GLY 1 HA3 GLY 1 24.251 -1.811 -4.040 6 H SER 2 H SER 2 22.496 -0.909 -5.820 7 HA SER 2 HA SER 2 22.433 1.982 -5.816 8 HB2 SER 2 HB3 SER 2 20.333 0.002 -6.731 9 HB3 SER 2 HB2 SER 2 20.365 1.730 -7.085 10 HG SER 2 HG SER 2 22.703 0.635 -7.798 11 H MET 3 H MET 3 22.542 1.907 -3.374 12 HA MET 3 HA MET 3 20.265 0.998 -1.911 13 HB2 MET 3 HB3 MET 3 22.520 1.152 -0.917 14 HB3 MET 3 HB2 MET 3 22.463 2.900 -1.075 15 HG2 MET 3 HG3 MET 3 20.607 3.008 0.479 16 HG3 MET 3 HG2 MET 3 20.588 1.250 0.600 17 HE1 MET 3 HE1 MET 3 20.697 1.433 3.246 18 HE2 MET 3 HE2 MET 3 20.727 3.193 3.135 19 HE3 MET 3 HE3 MET 3 21.928 2.349 4.113 20 H LYS 4 H LYS 4 21.316 4.080 -3.237 21 HA LYS 4 HA LYS 4 19.347 5.689 -2.026 22 HB2 LYS 4 HB3 LYS 4 21.378 6.565 -3.152 23 HB3 LYS 4 HB2 LYS 4 20.689 6.110 -4.701 24 HG2 LYS 4 HG3 LYS 4 20.420 8.491 -4.256 25 HG3 LYS 4 HG2 LYS 4 18.864 7.673 -4.386 26 HD2 LYS 4 HD3 LYS 4 18.805 9.229 -2.541 27 HD3 LYS 4 HD2 LYS 4 18.746 7.583 -1.916 28 HE2 LYS 4 HE3 LYS 4 20.241 8.841 -0.542 29 HE3 LYS 4 HE2 LYS 4 21.205 7.730 -1.512 30 HZ1 LYS 4 HZ1 LYS 4 22.185 9.939 -1.437 31 HZ2 LYS 4 HZ2 LYS 4 20.782 10.607 -2.105 32 HZ3 LYS 4 HZ3 LYS 4 21.726 9.541 -3.016 33 H GLN 5 H GLN 5 19.292 3.673 -4.905 34 HA GLN 5 HA GLN 5 16.826 4.516 -5.955 35 HB2 GLN 5 HB3 GLN 5 18.343 3.033 -7.192 36 HB3 GLN 5 HB2 GLN 5 18.086 1.764 -6.004 37 HG2 GLN 5 HG3 GLN 5 15.667 1.783 -6.622 38 HG3 GLN 5 HG2 GLN 5 16.069 2.897 -7.925 39 HE21 GLN 5 HE21 GLN 5 18.144 0.279 -6.904 40 HE22 GLN 5 HE22 GLN 5 17.966 -0.678 -8.330 41 H LEU 6 H LEU 6 17.686 2.171 -3.478 42 HA LEU 6 HA LEU 6 15.063 1.162 -3.080 43 HB2 LEU 6 HB3 LEU 6 17.439 1.151 -1.215 44 HB3 LEU 6 HB2 LEU 6 15.949 0.277 -0.932 45 HG LEU 6 HG LEU 6 17.905 -0.227 -3.180 46 HD11 LEU 6 HD11 LEU 6 17.155 -1.908 -0.800 47 HD12 LEU 6 HD12 LEU 6 18.639 -0.970 -0.957 48 HD13 LEU 6 HD13 LEU 6 18.329 -2.317 -2.051 49 HD21 LEU 6 HD21 LEU 6 15.297 -1.585 -2.515 50 HD22 LEU 6 HD22 LEU 6 16.478 -2.172 -3.683 51 HD23 LEU 6 HD23 LEU 6 15.653 -0.641 -3.961 52 H GLU 7 H GLU 7 16.827 3.882 -1.786 53 HA GLU 7 HA GLU 7 15.200 4.577 0.365 54 HB2 GLU 7 HB3 GLU 7 16.763 6.287 -1.569 55 HB3 GLU 7 HB2 GLU 7 15.945 6.946 -0.159 56 HG2 GLU 7 HG3 GLU 7 17.999 4.757 0.019 57 HG3 GLU 7 HG2 GLU 7 18.406 6.487 0.096 58 H ASP 8 H ASP 8 14.918 5.484 -3.064 59 HA ASP 8 HA ASP 8 12.487 6.939 -2.658 60 HB2 ASP 8 HB3 ASP 8 13.845 5.946 -5.163 61 HB3 ASP 8 HB2 ASP 8 12.351 6.876 -5.181 62 H LYS 9 H LYS 9 13.292 3.647 -3.217 63 HA LYS 9 HA LYS 9 10.786 2.747 -4.201 64 HB2 LYS 9 HB3 LYS 9 13.028 1.387 -2.743 65 HB3 LYS 9 HB2 LYS 9 11.567 0.552 -3.211 66 HG2 LYS 9 HG3 LYS 9 13.488 1.923 -5.084 67 HG3 LYS 9 HG2 LYS 9 13.403 0.187 -4.798 68 HD2 LYS 9 HD3 LYS 9 11.157 1.861 -5.917 69 HD3 LYS 9 HD2 LYS 9 12.275 0.902 -6.886 70 HE2 LYS 9 HE3 LYS 9 11.527 -1.120 -5.674 71 HE3 LYS 9 HE2 LYS 9 10.350 -0.134 -4.808 72 HZ1 LYS 9 HZ1 LYS 9 9.380 -1.290 -6.711 73 HZ2 LYS 9 HZ2 LYS 9 10.436 -0.483 -7.753 74 HZ3 LYS 9 HZ3 LYS 9 9.276 0.389 -6.887 75 H VAL 10 H VAL 10 12.243 2.633 -0.989 76 HA VAL 10 HA VAL 10 10.063 1.592 0.448 77 HB VAL 10 HB VAL 10 12.223 3.480 1.425 78 HG11 VAL 10 HG11 VAL 10 10.397 1.633 2.963 79 HG12 VAL 10 HG12 VAL 10 10.328 3.395 2.957 80 HG13 VAL 10 HG13 VAL 10 11.726 2.570 3.647 81 HG21 VAL 10 HG21 VAL 10 13.349 1.441 2.201 82 HG22 VAL 10 HG22 VAL 10 13.162 1.462 0.448 83 HG23 VAL 10 HG23 VAL 10 12.095 0.466 1.438 84 H GLU 11 H GLU 11 10.921 4.648 -0.772 85 HA GLU 11 HA GLU 11 9.114 6.251 0.783 86 HB2 GLU 11 HB3 GLU 11 11.261 7.049 -0.272 87 HB3 GLU 11 HB2 GLU 11 10.452 6.970 -1.829 88 HG2 GLU 11 HG3 GLU 11 9.225 8.580 0.352 89 HG3 GLU 11 HG2 GLU 11 10.629 9.216 -0.499 90 H GLU 12 H GLU 12 9.122 5.176 -2.642 91 HA GLU 12 HA GLU 12 6.700 6.361 -3.394 92 HB2 GLU 12 HB3 GLU 12 8.391 5.305 -4.916 93 HB3 GLU 12 HB2 GLU 12 7.805 3.731 -4.401 94 HG2 GLU 12 HG3 GLU 12 6.799 4.223 -6.488 95 HG3 GLU 12 HG2 GLU 12 5.551 4.378 -5.251 96 H LEU 13 H LEU 13 7.273 3.012 -2.472 97 HA LEU 13 HA LEU 13 4.751 2.008 -2.295 98 HB2 LEU 13 HB3 LEU 13 7.073 1.468 -0.456 99 HB3 LEU 13 HB2 LEU 13 5.640 0.464 -0.575 100 HG LEU 13 HG LEU 13 7.528 0.993 -2.867 101 HD11 LEU 13 HD11 LEU 13 8.664 -0.240 -1.113 102 HD12 LEU 13 HD12 LEU 13 8.324 -1.290 -2.490 103 HD13 LEU 13 HD13 LEU 13 7.330 -1.391 -1.037 104 HD21 LEU 13 HD21 LEU 13 5.269 -0.976 -2.521 105 HD22 LEU 13 HD22 LEU 13 6.362 -0.902 -3.903 106 HD23 LEU 13 HD23 LEU 13 5.268 0.440 -3.572 107 H LEU 14 H LEU 14 6.400 3.859 0.257 108 HA LEU 14 HA LEU 14 4.437 3.690 2.222 109 HB2 LEU 14 HB3 LEU 14 6.699 5.493 1.748 110 HB3 LEU 14 HB2 LEU 14 5.338 6.298 2.491 111 HG LEU 14 HG LEU 14 7.017 5.448 4.123 112 HD11 LEU 14 HD11 LEU 14 4.295 4.162 4.334 113 HD12 LEU 14 HD12 LEU 14 4.684 5.824 4.775 114 HD13 LEU 14 HD13 LEU 14 5.409 4.483 5.661 115 HD21 LEU 14 HD21 LEU 14 6.068 2.746 3.187 116 HD22 LEU 14 HD22 LEU 14 7.101 3.052 4.582 117 HD23 LEU 14 HD23 LEU 14 7.681 3.422 2.959 118 H SER 15 H SER 15 4.784 6.110 -0.356 119 HA SER 15 HA SER 15 2.507 7.616 0.278 120 HB2 SER 15 HB3 SER 15 4.281 8.340 -1.306 121 HB3 SER 15 HB2 SER 15 3.711 7.140 -2.464 122 HG SER 15 HG SER 15 2.654 8.913 -3.073 123 H LYS 16 H LYS 16 2.931 4.752 -1.739 124 HA LYS 16 HA LYS 16 0.248 4.596 -2.653 125 HB2 LYS 16 HB3 LYS 16 2.216 3.437 -3.693 126 HB3 LYS 16 HB2 LYS 16 2.237 2.341 -2.321 127 HG2 LYS 16 HG3 LYS 16 1.138 1.253 -4.133 128 HG3 LYS 16 HG2 LYS 16 -0.074 1.650 -2.912 129 HD2 LYS 16 HD3 LYS 16 -0.828 3.537 -4.193 130 HD3 LYS 16 HD2 LYS 16 0.495 3.343 -5.341 131 HE2 LYS 16 HE3 LYS 16 -0.450 1.104 -5.927 132 HE3 LYS 16 HE2 LYS 16 -1.840 1.481 -4.912 133 HZ1 LYS 16 HZ1 LYS 16 -0.971 3.047 -7.280 134 HZ2 LYS 16 HZ2 LYS 16 -2.322 3.375 -6.319 135 HZ3 LYS 16 HZ3 LYS 16 -2.266 1.961 -7.243 136 H ASN 17 H ASN 17 2.010 3.036 0.000 137 HA ASN 17 HA ASN 17 -0.013 1.455 1.059 138 HB2 ASN 17 HB3 ASN 17 2.103 1.093 1.983 139 HB3 ASN 17 HB2 ASN 17 2.394 2.806 2.234 140 HD21 ASN 17 HD21 ASN 17 0.823 -0.050 3.534 141 HD22 ASN 17 HD22 ASN 17 0.528 0.609 5.100 142 H TYR 18 H TYR 18 0.814 4.809 1.886 143 HA TYR 18 HA TYR 18 -1.155 5.182 3.844 144 HB2 TYR 18 HB3 TYR 18 0.266 7.116 2.027 145 HB3 TYR 18 HB2 TYR 18 -0.988 7.666 3.128 146 HD1 TYR 18 HD1 TYR 18 -0.369 5.937 5.506 147 HD2 TYR 18 HD2 TYR 18 2.189 8.140 2.899 148 HE1 TYR 18 HE1 TYR 18 1.289 6.144 7.306 149 HE2 TYR 18 HE2 TYR 18 3.849 8.339 4.696 150 HH TYR 18 HH TYR 18 3.954 8.272 7.110 151 H HIS 19 H HIS 19 -1.242 5.841 0.368 152 HA HIS 19 HA HIS 19 -3.792 6.974 0.266 153 HB2 HIS 19 HB3 HIS 19 -2.117 7.033 -1.580 154 HB3 HIS 19 HB2 HIS 19 -2.449 5.333 -1.891 155 HD1 HIS 19 HD1 HIS 19 -3.792 8.750 -2.447 156 HD2 HIS 19 HD2 HIS 19 -4.970 4.814 -3.090 157 HE1 HIS 19 HE1 HIS 19 -5.753 8.877 -4.017 158 HE2 HIS 19 HE2 HIS 19 -6.376 6.481 -4.477 159 H LEU 20 H LEU 20 -2.803 3.595 -0.309 160 HA LEU 20 HA LEU 20 -5.428 2.663 -0.798 161 HB2 LEU 20 HB3 LEU 20 -3.068 1.066 0.209 162 HB3 LEU 20 HB2 LEU 20 -4.523 0.422 -0.516 163 HG LEU 20 HG LEU 20 -2.532 2.168 -1.962 164 HD11 LEU 20 HD11 LEU 20 -1.550 0.026 -1.414 165 HD12 LEU 20 HD12 LEU 20 -1.920 0.102 -3.138 166 HD13 LEU 20 HD13 LEU 20 -2.968 -0.809 -2.051 167 HD21 LEU 20 HD21 LEU 20 -4.793 2.369 -2.843 168 HD22 LEU 20 HD22 LEU 20 -4.920 0.614 -2.949 169 HD23 LEU 20 HD23 LEU 20 -3.764 1.478 -3.963 170 H GLU 21 H GLU 21 -3.389 2.559 2.114 171 HA GLU 21 HA GLU 21 -5.126 1.023 3.674 172 HB2 GLU 21 HB3 GLU 21 -2.658 1.790 4.082 173 HB3 GLU 21 HB2 GLU 21 -3.407 3.155 4.895 174 HG2 GLU 21 HG3 GLU 21 -4.645 1.505 6.316 175 HG3 GLU 21 HG2 GLU 21 -3.639 0.243 5.601 176 H ASN 22 H ASN 22 -4.946 4.515 3.195 177 HA ASN 22 HA ASN 22 -6.901 5.158 5.157 178 HB2 ASN 22 HB3 ASN 22 -5.754 6.679 2.824 179 HB3 ASN 22 HB2 ASN 22 -7.033 7.351 3.831 180 HD21 ASN 22 HD21 ASN 22 -4.285 8.250 3.440 181 HD22 ASN 22 HD22 ASN 22 -3.569 8.279 5.013 182 H GLU 23 H GLU 23 -7.057 4.665 1.633 183 HA GLU 23 HA GLU 23 -9.815 5.366 1.519 184 HB2 GLU 23 HB3 GLU 23 -9.739 4.898 -0.770 185 HB3 GLU 23 HB2 GLU 23 -8.119 5.456 -0.391 186 HG2 GLU 23 HG3 GLU 23 -7.313 3.178 -0.384 187 HG3 GLU 23 HG2 GLU 23 -8.943 2.589 -0.718 188 H VAL 24 H VAL 24 -8.068 2.375 2.038 189 HA VAL 24 HA VAL 24 -10.106 0.497 1.789 190 HB VAL 24 HB VAL 24 -7.884 0.659 3.845 191 HG11 VAL 24 HG11 VAL 24 -8.334 -1.702 4.335 192 HG12 VAL 24 HG12 VAL 24 -9.757 -1.642 3.296 193 HG13 VAL 24 HG13 VAL 24 -9.701 -0.677 4.771 194 HG21 VAL 24 HG21 VAL 24 -7.139 0.362 1.549 195 HG22 VAL 24 HG22 VAL 24 -8.221 -1.018 1.363 196 HG23 VAL 24 HG23 VAL 24 -6.865 -1.106 2.487 197 H ALA 25 H ALA 25 -9.195 2.376 4.684 198 HA ALA 25 HA ALA 25 -11.266 1.542 6.355 199 HB1 ALA 25 HB1 ALA 25 -9.274 2.727 7.140 200 HB2 ALA 25 HB2 ALA 25 -10.755 3.496 7.708 201 HB3 ALA 25 HB3 ALA 25 -9.853 4.204 6.370 202 H ARG 26 H ARG 26 -11.114 4.322 4.153 203 HA ARG 26 HA ARG 26 -13.590 5.456 4.724 204 HB2 ARG 26 HB3 ARG 26 -11.995 6.620 3.351 205 HB3 ARG 26 HB2 ARG 26 -12.022 5.342 2.146 206 HG2 ARG 26 HG3 ARG 26 -14.283 5.899 1.534 207 HG3 ARG 26 HG2 ARG 26 -14.376 7.091 2.831 208 HD2 ARG 26 HD2 ARG 26 -12.428 7.212 0.535 209 HD3 ARG 26 HD1 ARG 26 -13.965 8.074 0.587 210 HE ARG 26 HE ARG 26 -12.770 8.868 2.866 211 HH11 ARG 26 HH11 ARG 26 -11.649 8.757 -0.450 212 HH12 ARG 26 HH12 ARG 26 -10.630 10.151 -0.283 213 HH21 ARG 26 HH21 ARG 26 -11.426 10.706 3.082 214 HH22 ARG 26 HH22 ARG 26 -10.492 11.248 1.722 215 H LEU 27 H LEU 27 -12.753 2.994 2.296 216 HA LEU 27 HA LEU 27 -15.346 2.721 1.251 217 HB2 LEU 27 HB3 LEU 27 -13.035 0.781 1.295 218 HB3 LEU 27 HB2 LEU 27 -14.502 0.546 0.366 219 HG LEU 27 HG LEU 27 -12.666 2.901 0.014 220 HD11 LEU 27 HD11 LEU 27 -11.485 0.851 -0.530 221 HD12 LEU 27 HD12 LEU 27 -11.856 1.771 -1.988 222 HD13 LEU 27 HD13 LEU 27 -12.816 0.352 -1.574 223 HD21 LEU 27 HD21 LEU 27 -13.869 3.151 -2.116 224 HD22 LEU 27 HD22 LEU 27 -14.937 3.316 -0.724 225 HD23 LEU 27 HD23 LEU 27 -14.929 1.820 -1.657 226 H LYS 28 H LYS 28 -13.809 1.215 4.027 227 HA LYS 28 HA LYS 28 -15.748 -0.827 4.374 228 HB2 LYS 28 HB3 LYS 28 -13.701 0.376 6.232 229 HB3 LYS 28 HB2 LYS 28 -14.792 -0.904 6.742 230 HG2 LYS 28 HG3 LYS 28 -13.886 -2.393 5.058 231 HG3 LYS 28 HG2 LYS 28 -12.855 -1.099 4.445 232 HD2 LYS 28 HD3 LYS 28 -11.583 -1.055 6.470 233 HD3 LYS 28 HD2 LYS 28 -12.729 -2.158 7.268 234 HE2 LYS 28 HE3 LYS 28 -11.054 -2.879 4.851 235 HE3 LYS 28 HE2 LYS 28 -10.616 -3.250 6.518 236 HZ1 LYS 28 HZ1 LYS 28 -11.700 -5.112 5.369 237 HZ2 LYS 28 HZ2 LYS 28 -13.099 -4.186 5.183 238 HZ3 LYS 28 HZ3 LYS 28 -12.569 -4.610 6.728 239 H LYS 29 H LYS 29 -15.361 2.408 5.826 240 HA LYS 29 HA LYS 29 -17.677 2.180 7.446 241 HB2 LYS 29 HB3 LYS 29 -17.407 4.483 7.941 242 HB3 LYS 29 HB2 LYS 29 -15.790 3.816 7.786 243 HG2 LYS 29 HG3 LYS 29 -15.623 4.738 5.533 244 HG3 LYS 29 HG2 LYS 29 -17.249 5.406 5.687 245 HD2 LYS 29 HD3 LYS 29 -16.416 6.655 7.708 246 HD3 LYS 29 HD2 LYS 29 -14.788 6.148 7.255 247 HE2 LYS 29 HE3 LYS 29 -15.132 8.339 6.376 248 HE3 LYS 29 HE2 LYS 29 -15.159 7.209 5.024 249 HZ1 LYS 29 HZ1 LYS 29 -17.520 8.438 6.339 250 HZ2 LYS 29 HZ2 LYS 29 -17.603 7.280 5.115 251 HZ3 LYS 29 HZ3 LYS 29 -16.929 8.796 4.795 252 H LEU 30 H LEU 30 -17.246 2.709 4.102 253 HA LEU 30 HA LEU 30 -19.761 4.064 3.685 254 HB2 LEU 30 HB3 LEU 30 -17.832 2.790 1.747 255 HB3 LEU 30 HB2 LEU 30 -19.288 3.638 1.268 256 HG LEU 30 HG LEU 30 -16.934 4.865 2.707 257 HD11 LEU 30 HD11 LEU 30 -16.443 4.310 0.385 258 HD12 LEU 30 HD12 LEU 30 -16.568 6.054 0.605 259 HD13 LEU 30 HD13 LEU 30 -17.896 5.162 -0.136 260 HD21 LEU 30 HD21 LEU 30 -18.076 6.990 2.304 261 HD22 LEU 30 HD22 LEU 30 -19.030 5.929 3.340 262 HD23 LEU 30 HD23 LEU 30 -19.459 6.121 1.639 263 H VAL 31 H VAL 31 -18.495 0.845 2.755 264 HA VAL 31 HA VAL 31 -20.991 -0.162 1.959 265 HB VAL 31 HB VAL 31 -18.853 -1.145 1.255 266 HG11 VAL 31 HG11 VAL 31 -17.613 -0.990 3.338 267 HG12 VAL 31 HG12 VAL 31 -17.621 -2.650 2.740 268 HG13 VAL 31 HG13 VAL 31 -18.675 -2.189 4.076 269 HG21 VAL 31 HG21 VAL 31 -19.498 -3.518 1.497 270 HG22 VAL 31 HG22 VAL 31 -20.829 -2.474 1.004 271 HG23 VAL 31 HG23 VAL 31 -20.717 -3.031 2.672 272 H GLY 32 H GLY 32 -19.446 -0.032 5.120 273 HA2 GLY 32 HA3 GLY 32 -21.634 -1.622 6.259 274 HA3 GLY 32 HA2 GLY 32 -20.145 -1.182 7.082 275 H GLU 33 H GLU 33 -22.313 0.918 5.263 276 HA GLU 33 HA GLU 33 -22.682 2.518 7.702 277 HB2 GLU 33 HB3 GLU 33 -21.570 3.659 5.803 278 HB3 GLU 33 HB2 GLU 33 -22.965 3.314 4.794 279 HG2 GLU 33 HG3 GLU 33 -24.359 4.703 6.242 280 HG3 GLU 33 HG2 GLU 33 -22.950 5.064 7.241 281 H1 GLY 1 H1 GLY 1 26.025 0.233 3.540 282 H2 GLY 1 H2 GLY 1 26.653 0.056 5.100 283 H3 GLY 1 H3 GLY 1 26.659 1.574 4.354 284 HA2 GLY 1 HA2 GLY 1 24.908 1.434 6.008 285 HA3 GLY 1 HA3 GLY 1 24.264 1.660 4.388 286 H SER 2 H SER 2 22.548 0.713 6.189 287 HA SER 2 HA SER 2 22.525 -2.178 6.154 288 HB2 SER 2 HB3 SER 2 20.415 -0.234 7.126 289 HB3 SER 2 HB2 SER 2 20.464 -1.967 7.450 290 HG SER 2 HG SER 2 22.804 -0.838 8.145 291 H MET 3 H MET 3 22.602 -2.086 3.720 292 HA MET 3 HA MET 3 20.293 -1.198 2.288 293 HB2 MET 3 HB3 MET 3 22.539 -1.313 1.266 294 HB3 MET 3 HB2 MET 3 22.506 -3.064 1.409 295 HG2 MET 3 HG3 MET 3 20.626 -3.178 -0.118 296 HG3 MET 3 HG2 MET 3 20.590 -1.420 -0.226 297 HE1 MET 3 HE1 MET 3 20.663 -1.578 -2.870 298 HE2 MET 3 HE2 MET 3 20.714 -3.339 -2.781 299 HE3 MET 3 HE3 MET 3 21.891 -2.472 -3.766 300 H LYS 4 H LYS 4 21.403 -4.271 3.589 301 HA LYS 4 HA LYS 4 19.443 -5.900 2.382 302 HB2 LYS 4 HB3 LYS 4 21.500 -6.764 3.466 303 HB3 LYS 4 HB2 LYS 4 20.835 -6.328 5.030 304 HG2 LYS 4 HG3 LYS 4 20.583 -8.709 4.579 305 HG3 LYS 4 HG2 LYS 4 19.018 -7.911 4.732 306 HD2 LYS 4 HD3 LYS 4 18.958 -9.460 2.878 307 HD3 LYS 4 HD2 LYS 4 18.864 -7.809 2.269 308 HE2 LYS 4 HE3 LYS 4 20.362 -9.037 0.866 309 HE3 LYS 4 HE2 LYS 4 21.317 -7.908 1.823 310 HZ1 LYS 4 HZ1 LYS 4 22.343 -10.094 1.719 311 HZ2 LYS 4 HZ2 LYS 4 20.968 -10.799 2.409 312 HZ3 LYS 4 HZ3 LYS 4 21.905 -9.717 3.309 313 H GLN 5 H GLN 5 19.405 -3.916 5.285 314 HA GLN 5 HA GLN 5 16.960 -4.792 6.358 315 HB2 GLN 5 HB3 GLN 5 18.475 -3.297 7.582 316 HB3 GLN 5 HB2 GLN 5 18.179 -2.024 6.408 317 HG2 GLN 5 HG3 GLN 5 15.773 -2.087 7.060 318 HG3 GLN 5 HG2 GLN 5 16.209 -3.207 8.346 319 HE21 GLN 5 HE21 GLN 5 18.229 -0.542 7.328 320 HE22 GLN 5 HE22 GLN 5 18.040 0.402 8.762 321 H LEU 6 H LEU 6 17.753 -2.417 3.888 322 HA LEU 6 HA LEU 6 15.107 -1.447 3.531 323 HB2 LEU 6 HB3 LEU 6 17.457 -1.389 1.636 324 HB3 LEU 6 HB2 LEU 6 15.952 -0.535 1.379 325 HG LEU 6 HG LEU 6 17.932 -0.019 3.602 326 HD11 LEU 6 HD11 LEU 6 17.122 1.668 1.244 327 HD12 LEU 6 HD12 LEU 6 18.622 0.751 1.373 328 HD13 LEU 6 HD13 LEU 6 18.308 2.083 2.482 329 HD21 LEU 6 HD21 LEU 6 15.295 1.305 2.983 330 HD22 LEU 6 HD22 LEU 6 16.483 1.902 4.140 331 HD23 LEU 6 HD23 LEU 6 15.684 0.356 4.416 332 H GLU 7 H GLU 7 16.898 -4.130 2.191 333 HA GLU 7 HA GLU 7 15.254 -4.831 0.057 334 HB2 GLU 7 HB3 GLU 7 16.861 -6.537 1.955 335 HB3 GLU 7 HB2 GLU 7 16.033 -7.195 0.551 336 HG2 GLU 7 HG3 GLU 7 18.059 -4.977 0.367 337 HG3 GLU 7 HG2 GLU 7 18.487 -6.702 0.272 338 H ASP 8 H ASP 8 15.026 -5.779 3.477 339 HA ASP 8 HA ASP 8 12.611 -7.265 3.095 340 HB2 ASP 8 HB3 ASP 8 13.990 -6.268 5.590 341 HB3 ASP 8 HB2 ASP 8 12.511 -7.224 5.621 342 H LYS 9 H LYS 9 13.373 -3.964 3.670 343 HA LYS 9 HA LYS 9 10.869 -3.105 4.695 344 HB2 LYS 9 HB3 LYS 9 13.072 -1.702 3.219 345 HB3 LYS 9 HB2 LYS 9 11.606 -0.891 3.714 346 HG2 LYS 9 HG3 LYS 9 13.571 -2.250 5.548 347 HG3 LYS 9 HG2 LYS 9 13.457 -0.512 5.280 348 HD2 LYS 9 HD3 LYS 9 11.249 -2.229 6.416 349 HD3 LYS 9 HD2 LYS 9 12.369 -1.267 7.378 350 HE2 LYS 9 HE3 LYS 9 11.580 0.756 6.191 351 HE3 LYS 9 HE2 LYS 9 10.397 -0.237 5.343 352 HZ1 LYS 9 HZ1 LYS 9 9.460 0.897 7.278 353 HZ2 LYS 9 HZ2 LYS 9 10.540 0.083 8.290 354 HZ3 LYS 9 HZ3 LYS 9 9.368 -0.782 7.434 355 H VAL 10 H VAL 10 12.281 -2.942 1.471 356 HA VAL 10 HA VAL 10 10.069 -1.924 0.071 357 HB VAL 10 HB VAL 10 12.242 -3.773 -0.950 358 HG11 VAL 10 HG11 VAL 10 10.374 -1.940 -2.450 359 HG12 VAL 10 HG12 VAL 10 10.325 -3.702 -2.454 360 HG13 VAL 10 HG13 VAL 10 11.703 -2.855 -3.157 361 HG21 VAL 10 HG21 VAL 10 13.327 -1.712 -1.728 362 HG22 VAL 10 HG22 VAL 10 13.166 -1.748 0.027 363 HG23 VAL 10 HG23 VAL 10 12.068 -0.761 -0.938 364 H GLU 11 H GLU 11 10.984 -4.975 1.261 365 HA GLU 11 HA GLU 11 9.183 -6.592 -0.287 366 HB2 GLU 11 HB3 GLU 11 11.356 -7.363 0.737 367 HB3 GLU 11 HB2 GLU 11 10.561 -7.318 2.300 368 HG2 GLU 11 HG3 GLU 11 9.344 -8.923 0.111 369 HG3 GLU 11 HG2 GLU 11 10.768 -9.542 0.942 370 H GLU 12 H GLU 12 9.223 -5.560 3.151 371 HA GLU 12 HA GLU 12 6.827 -6.774 3.927 372 HB2 GLU 12 HB3 GLU 12 8.525 -5.704 5.428 373 HB3 GLU 12 HB2 GLU 12 7.913 -4.135 4.925 374 HG2 GLU 12 HG3 GLU 12 6.944 -4.645 7.025 375 HG3 GLU 12 HG2 GLU 12 5.681 -4.808 5.805 376 H LEU 13 H LEU 13 7.337 -3.410 3.017 377 HA LEU 13 HA LEU 13 4.799 -2.442 2.880 378 HB2 LEU 13 HB3 LEU 13 7.089 -1.855 1.013 379 HB3 LEU 13 HB2 LEU 13 5.644 -0.872 1.158 380 HG LEU 13 HG LEU 13 7.572 -1.388 3.420 381 HD11 LEU 13 HD11 LEU 13 8.664 -0.125 1.657 382 HD12 LEU 13 HD12 LEU 13 8.331 0.908 3.047 383 HD13 LEU 13 HD13 LEU 13 7.312 1.006 1.611 384 HD21 LEU 13 HD21 LEU 13 5.282 0.551 3.119 385 HD22 LEU 13 HD22 LEU 13 6.394 0.481 4.485 386 HD23 LEU 13 HD23 LEU 13 5.314 -0.874 4.158 387 H LEU 14 H LEU 14 6.442 -4.247 0.292 388 HA LEU 14 HA LEU 14 4.450 -4.091 -1.647 389 HB2 LEU 14 HB3 LEU 14 6.746 -5.864 -1.218 390 HB3 LEU 14 HB2 LEU 14 5.386 -6.686 -1.945 391 HG LEU 14 HG LEU 14 7.031 -5.805 -3.594 392 HD11 LEU 14 HD11 LEU 14 4.289 -4.556 -3.766 393 HD12 LEU 14 HD12 LEU 14 4.696 -6.211 -4.219 394 HD13 LEU 14 HD13 LEU 14 5.391 -4.857 -5.109 395 HD21 LEU 14 HD21 LEU 14 6.056 -3.121 -2.633 396 HD22 LEU 14 HD22 LEU 14 7.073 -3.406 -4.045 397 HD23 LEU 14 HD23 LEU 14 7.681 -3.776 -2.432 398 H SER 15 H SER 15 4.864 -6.529 0.906 399 HA SER 15 HA SER 15 2.599 -8.059 0.287 400 HB2 SER 15 HB3 SER 15 4.406 -8.773 1.839 401 HB3 SER 15 HB2 SER 15 3.836 -7.589 3.014 402 HG SER 15 HG SER 15 2.829 -9.394 3.622 403 H LYS 16 H LYS 16 3.013 -5.208 2.325 404 HA LYS 16 HA LYS 16 0.341 -5.098 3.276 405 HB2 LYS 16 HB3 LYS 16 2.304 -3.920 4.300 406 HB3 LYS 16 HB2 LYS 16 2.289 -2.809 2.938 407 HG2 LYS 16 HG3 LYS 16 1.195 -1.757 4.772 408 HG3 LYS 16 HG2 LYS 16 -0.025 -2.165 3.564 409 HD2 LYS 16 HD3 LYS 16 -0.735 -4.073 4.843 410 HD3 LYS 16 HD2 LYS 16 0.600 -3.865 5.977 411 HE2 LYS 16 HE3 LYS 16 -0.370 -1.639 6.581 412 HE3 LYS 16 HE2 LYS 16 -1.767 -2.037 5.584 413 HZ1 LYS 16 HZ1 LYS 16 -0.839 -3.593 7.935 414 HZ2 LYS 16 HZ2 LYS 16 -2.195 -3.943 6.989 415 HZ3 LYS 16 HZ3 LYS 16 -2.156 -2.533 7.917 416 H ASN 17 H ASN 17 2.046 -3.494 0.614 417 HA ASN 17 HA ASN 17 -0.013 -1.936 -0.407 418 HB2 ASN 17 HB3 ASN 17 2.084 -1.534 -1.356 419 HB3 ASN 17 HB2 ASN 17 2.398 -3.241 -1.623 420 HD21 ASN 17 HD21 ASN 17 0.763 -0.400 -2.879 421 HD22 ASN 17 HD22 ASN 17 0.455 -1.053 -4.447 422 H TYR 18 H TYR 18 0.849 -5.268 -1.273 423 HA TYR 18 HA TYR 18 -1.142 -5.656 -3.205 424 HB2 TYR 18 HB3 TYR 18 0.332 -7.579 -1.420 425 HB3 TYR 18 HB2 TYR 18 -0.926 -8.139 -2.511 426 HD1 TYR 18 HD1 TYR 18 -0.358 -6.379 -4.881 427 HD2 TYR 18 HD2 TYR 18 2.254 -8.577 -2.325 428 HE1 TYR 18 HE1 TYR 18 1.279 -6.554 -6.701 429 HE2 TYR 18 HE2 TYR 18 3.895 -8.743 -4.144 430 HH TYR 18 HH TYR 18 3.935 -8.665 -6.593 431 H HIS 19 H HIS 19 -1.171 -6.347 0.268 432 HA HIS 19 HA HIS 19 -3.705 -7.517 0.393 433 HB2 HIS 19 HB3 HIS 19 -2.006 -7.567 2.213 434 HB3 HIS 19 HB2 HIS 19 -2.355 -5.875 2.546 435 HD1 HIS 19 HD1 HIS 19 -3.648 -9.318 3.079 436 HD2 HIS 19 HD2 HIS 19 -4.860 -5.403 3.789 437 HE1 HIS 19 HE1 HIS 19 -5.571 -9.483 4.693 438 HE2 HIS 19 HE2 HIS 19 -6.254 -7.103 5.150 439 H LEU 20 H LEU 20 -2.756 -4.128 0.984 440 HA LEU 20 HA LEU 20 -5.385 -3.233 1.516 441 HB2 LEU 20 HB3 LEU 20 -3.061 -1.602 0.487 442 HB3 LEU 20 HB2 LEU 20 -4.515 -0.977 1.231 443 HG LEU 20 HG LEU 20 -2.481 -2.699 2.645 444 HD11 LEU 20 HD11 LEU 20 -1.541 -0.541 2.100 445 HD12 LEU 20 HD12 LEU 20 -1.889 -0.638 3.827 446 HD13 LEU 20 HD13 LEU 20 -2.964 0.266 2.761 447 HD21 LEU 20 HD21 LEU 20 -4.725 -2.944 3.553 448 HD22 LEU 20 HD22 LEU 20 -4.879 -1.191 3.672 449 HD23 LEU 20 HD23 LEU 20 -3.695 -2.042 4.664 450 H GLU 21 H GLU 21 -3.392 -3.087 -1.426 451 HA GLU 21 HA GLU 21 -5.173 -1.562 -2.947 452 HB2 GLU 21 HB3 GLU 21 -2.702 -2.282 -3.400 453 HB3 GLU 21 HB2 GLU 21 -3.439 -3.658 -4.208 454 HG2 GLU 21 HG3 GLU 21 -4.729 -2.020 -5.600 455 HG3 GLU 21 HG2 GLU 21 -3.735 -0.747 -4.894 456 H ASN 22 H ASN 22 -4.929 -5.054 -2.506 457 HA ASN 22 HA ASN 22 -6.908 -5.712 -4.437 458 HB2 ASN 22 HB3 ASN 22 -5.703 -7.231 -2.133 459 HB3 ASN 22 HB2 ASN 22 -6.989 -7.916 -3.123 460 HD21 ASN 22 HD21 ASN 22 -4.222 -8.775 -2.779 461 HD22 ASN 22 HD22 ASN 22 -3.529 -8.785 -4.363 462 H GLU 23 H GLU 23 -7.018 -5.238 -0.909 463 HA GLU 23 HA GLU 23 -9.761 -5.988 -0.757 464 HB2 GLU 23 HB3 GLU 23 -9.659 -5.531 1.536 465 HB3 GLU 23 HB2 GLU 23 -8.037 -6.064 1.128 466 HG2 GLU 23 HG3 GLU 23 -7.260 -3.775 1.127 467 HG3 GLU 23 HG2 GLU 23 -8.893 -3.209 1.483 468 H VAL 24 H VAL 24 -8.070 -2.969 -1.282 469 HA VAL 24 HA VAL 24 -10.131 -1.125 -0.992 470 HB VAL 24 HB VAL 24 -7.935 -1.238 -3.080 471 HG11 VAL 24 HG11 VAL 24 -8.422 1.121 -3.544 472 HG12 VAL 24 HG12 VAL 24 -9.833 1.033 -2.490 473 HG13 VAL 24 HG13 VAL 24 -9.781 0.082 -3.974 474 HG21 VAL 24 HG21 VAL 24 -7.165 -0.949 -0.792 475 HG22 VAL 24 HG22 VAL 24 -8.265 0.413 -0.580 476 HG23 VAL 24 HG23 VAL 24 -6.924 0.531 -1.722 477 H ALA 25 H ALA 25 -9.230 -2.964 -3.915 478 HA ALA 25 HA ALA 25 -11.337 -2.147 -5.551 479 HB1 ALA 25 HB1 ALA 25 -9.341 -3.299 -6.376 480 HB2 ALA 25 HB2 ALA 25 -10.819 -4.086 -6.927 481 HB3 ALA 25 HB3 ALA 25 -9.886 -4.790 -5.608 482 H ARG 26 H ARG 26 -11.116 -4.940 -3.374 483 HA ARG 26 HA ARG 26 -13.582 -6.108 -3.914 484 HB2 ARG 26 HB3 ARG 26 -11.947 -7.254 -2.571 485 HB3 ARG 26 HB2 ARG 26 -11.983 -5.984 -1.355 486 HG2 ARG 26 HG3 ARG 26 -14.225 -6.587 -0.720 487 HG3 ARG 26 HG2 ARG 26 -14.315 -7.764 -2.030 488 HD2 ARG 26 HD2 ARG 26 -12.336 -7.884 0.238 489 HD3 ARG 26 HD1 ARG 26 -13.861 -8.767 0.199 490 HE ARG 26 HE ARG 26 -12.687 -9.516 -2.108 491 HH11 ARG 26 HH11 ARG 26 -11.528 -9.435 1.197 492 HH12 ARG 26 HH12 ARG 26 -10.490 -10.809 1.001 493 HH21 ARG 26 HH21 ARG 26 -11.335 -11.334 -2.365 494 HH22 ARG 26 HH22 ARG 26 -10.374 -11.885 -1.030 495 H LEU 27 H LEU 27 -12.749 -3.653 -1.480 496 HA LEU 27 HA LEU 27 -15.330 -3.427 -0.395 497 HB2 LEU 27 HB3 LEU 27 -13.047 -1.452 -0.460 498 HB3 LEU 27 HB2 LEU 27 -14.504 -1.244 0.491 499 HG LEU 27 HG LEU 27 -12.633 -3.577 0.801 500 HD11 LEU 27 HD11 LEU 27 -11.474 -1.514 1.346 501 HD12 LEU 27 HD12 LEU 27 -11.816 -2.445 2.803 502 HD13 LEU 27 HD13 LEU 27 -12.799 -1.039 2.406 503 HD21 LEU 27 HD21 LEU 27 -13.807 -3.861 2.944 504 HD22 LEU 27 HD22 LEU 27 -14.890 -4.028 1.565 505 HD23 LEU 27 HD23 LEU 27 -14.889 -2.539 2.510 506 H LYS 28 H LYS 28 -13.857 -1.874 -3.179 507 HA LYS 28 HA LYS 28 -15.829 0.140 -3.488 508 HB2 LYS 28 HB3 LYS 28 -13.791 -1.030 -5.378 509 HB3 LYS 28 HB2 LYS 28 -14.907 0.237 -5.870 510 HG2 LYS 28 HG3 LYS 28 -14.010 1.721 -4.191 511 HG3 LYS 28 HG2 LYS 28 -12.948 0.448 -3.597 512 HD2 LYS 28 HD3 LYS 28 -11.703 0.438 -5.642 513 HD3 LYS 28 HD2 LYS 28 -12.875 1.535 -6.411 514 HE2 LYS 28 HE3 LYS 28 -11.180 2.251 -4.010 515 HE3 LYS 28 HE2 LYS 28 -10.765 2.644 -5.675 516 HZ1 LYS 28 HZ1 LYS 28 -11.850 4.483 -4.508 517 HZ2 LYS 28 HZ2 LYS 28 -13.233 3.541 -4.293 518 HZ3 LYS 28 HZ3 LYS 28 -12.743 3.976 -5.849 519 H LYS 29 H LYS 29 -15.402 -3.056 -4.982 520 HA LYS 29 HA LYS 29 -17.751 -2.875 -6.558 521 HB2 LYS 29 HB3 LYS 29 -17.450 -5.169 -7.069 522 HB3 LYS 29 HB2 LYS 29 -15.840 -4.479 -6.933 523 HG2 LYS 29 HG3 LYS 29 -15.628 -5.415 -4.692 524 HG3 LYS 29 HG2 LYS 29 -17.247 -6.099 -4.825 525 HD2 LYS 29 HD3 LYS 29 -16.434 -7.324 -6.867 526 HD3 LYS 29 HD2 LYS 29 -14.806 -6.802 -6.436 527 HE2 LYS 29 HE3 LYS 29 -15.110 -9.004 -5.569 528 HE3 LYS 29 HE2 LYS 29 -15.136 -7.884 -4.208 529 HZ1 LYS 29 HZ1 LYS 29 -17.497 -9.129 -5.506 530 HZ2 LYS 29 HZ2 LYS 29 -17.578 -7.985 -4.268 531 HZ3 LYS 29 HZ3 LYS 29 -16.882 -9.498 -3.974 532 H LEU 30 H LEU 30 -17.268 -3.416 -3.223 533 HA LEU 30 HA LEU 30 -19.755 -4.816 -2.786 534 HB2 LEU 30 HB3 LEU 30 -17.821 -3.532 -0.859 535 HB3 LEU 30 HB2 LEU 30 -19.259 -4.403 -0.370 536 HG LEU 30 HG LEU 30 -16.909 -5.585 -1.850 537 HD11 LEU 30 HD11 LEU 30 -16.393 -5.040 0.470 538 HD12 LEU 30 HD12 LEU 30 -16.496 -6.785 0.237 539 HD13 LEU 30 HD13 LEU 30 -17.827 -5.918 1.003 540 HD21 LEU 30 HD21 LEU 30 -18.014 -7.728 -1.447 541 HD22 LEU 30 HD22 LEU 30 -18.997 -6.674 -2.459 542 HD23 LEU 30 HD23 LEU 30 -19.401 -6.885 -0.757 543 H VAL 31 H VAL 31 -18.525 -1.585 -1.845 544 HA VAL 31 HA VAL 31 -21.031 -0.625 -1.011 545 HB VAL 31 HB VAL 31 -18.901 0.386 -0.326 546 HG11 VAL 31 HG11 VAL 31 -17.685 0.262 -2.421 547 HG12 VAL 31 HG12 VAL 31 -17.708 1.918 -1.812 548 HG13 VAL 31 HG13 VAL 31 -18.771 1.452 -3.140 549 HG21 VAL 31 HG21 VAL 31 -19.587 2.750 -0.542 550 HG22 VAL 31 HG22 VAL 31 -20.896 1.683 -0.040 551 HG23 VAL 31 HG23 VAL 31 -20.813 2.252 -1.706 552 H GLY 32 H GLY 32 -19.519 -0.705 -4.191 553 HA2 GLY 32 HA3 GLY 32 -21.744 0.856 -5.295 554 HA3 GLY 32 HA2 GLY 32 -20.258 0.442 -6.138 555 H GLU 33 H GLU 33 -22.369 -1.698 -4.301 556 HA GLU 33 HA GLU 33 -22.763 -3.286 -6.744 557 HB2 GLU 33 HB3 GLU 33 -21.605 -4.422 -4.864 558 HB3 GLU 33 HB2 GLU 33 -22.995 -4.109 -3.836 559 HG2 GLU 33 HG3 GLU 33 -24.379 -5.519 -5.267 560 HG3 GLU 33 HG2 GLU 33 -22.988 -5.829 -6.304 Start of MODEL 18 1 H1 GLY 1 H1 GLY 1 24.458 -2.762 -5.188 2 H2 GLY 1 H2 GLY 1 26.021 -2.486 -5.768 3 H3 GLY 1 H3 GLY 1 24.697 -2.367 -6.811 4 HA2 GLY 1 HA2 GLY 1 25.261 -0.589 -4.513 5 HA3 GLY 1 HA3 GLY 1 25.482 -0.177 -6.206 6 H SER 2 H SER 2 24.048 1.585 -5.923 7 HA SER 2 HA SER 2 22.063 2.637 -6.179 8 HB2 SER 2 HB3 SER 2 21.047 -0.113 -6.903 9 HB3 SER 2 HB2 SER 2 20.202 1.402 -7.205 10 HG SER 2 HG SER 2 22.812 1.245 -8.139 11 H MET 3 H MET 3 22.784 1.807 -3.584 12 HA MET 3 HA MET 3 20.654 0.691 -2.124 13 HB2 MET 3 HB3 MET 3 22.884 0.948 -1.168 14 HB3 MET 3 HB2 MET 3 22.755 2.696 -1.279 15 HG2 MET 3 HG3 MET 3 20.928 2.666 0.337 16 HG3 MET 3 HG2 MET 3 21.067 0.912 0.453 17 HE1 MET 3 HE1 MET 3 21.184 2.975 2.935 18 HE2 MET 3 HE2 MET 3 22.469 2.232 3.889 19 HE3 MET 3 HE3 MET 3 21.251 1.223 3.110 20 H LYS 4 H LYS 4 21.340 3.961 -3.206 21 HA LYS 4 HA LYS 4 19.250 5.241 -1.816 22 HB2 LYS 4 HB3 LYS 4 19.562 7.113 -3.305 23 HB3 LYS 4 HB2 LYS 4 21.131 6.463 -2.862 24 HG2 LYS 4 HG3 LYS 4 19.864 5.538 -5.393 25 HG3 LYS 4 HG2 LYS 4 20.575 7.149 -5.335 26 HD2 LYS 4 HD3 LYS 4 22.035 4.622 -4.581 27 HD3 LYS 4 HD2 LYS 4 22.114 5.375 -6.171 28 HE2 LYS 4 HE3 LYS 4 22.957 7.446 -5.088 29 HE3 LYS 4 HE2 LYS 4 22.993 6.584 -3.552 30 HZ1 LYS 4 HZ1 LYS 4 25.165 6.575 -4.552 31 HZ2 LYS 4 HZ2 LYS 4 24.557 5.906 -5.980 32 HZ3 LYS 4 HZ3 LYS 4 24.551 5.000 -4.556 33 H GLN 5 H GLN 5 19.239 3.280 -4.699 34 HA GLN 5 HA GLN 5 16.704 4.267 -5.626 35 HB2 GLN 5 HB3 GLN 5 18.318 1.844 -6.431 36 HB3 GLN 5 HB2 GLN 5 16.788 2.289 -7.175 37 HG2 GLN 5 HG3 GLN 5 17.926 4.554 -7.641 38 HG3 GLN 5 HG2 GLN 5 19.427 3.692 -7.313 39 HE21 GLN 5 HE21 GLN 5 20.164 2.174 -8.782 40 HE22 GLN 5 HE22 GLN 5 19.470 1.980 -10.350 41 H LEU 6 H LEU 6 17.807 1.838 -3.428 42 HA LEU 6 HA LEU 6 15.372 0.374 -3.269 43 HB2 LEU 6 HB3 LEU 6 17.532 0.758 -1.185 44 HB3 LEU 6 HB2 LEU 6 16.190 -0.353 -1.031 45 HG LEU 6 HG LEU 6 18.414 -0.513 -3.065 46 HD11 LEU 6 HD11 LEU 6 19.075 -1.164 -0.816 47 HD12 LEU 6 HD12 LEU 6 18.991 -2.567 -1.881 48 HD13 LEU 6 HD13 LEU 6 17.700 -2.262 -0.721 49 HD21 LEU 6 HD21 LEU 6 17.368 -2.679 -3.667 50 HD22 LEU 6 HD22 LEU 6 16.387 -1.281 -4.094 51 HD23 LEU 6 HD23 LEU 6 15.976 -2.243 -2.674 52 H GLU 7 H GLU 7 16.637 3.240 -1.700 53 HA GLU 7 HA GLU 7 14.576 3.649 0.153 54 HB2 GLU 7 HB3 GLU 7 16.489 5.515 -1.228 55 HB3 GLU 7 HB2 GLU 7 15.293 6.101 -0.082 56 HG2 GLU 7 HG3 GLU 7 17.296 3.959 0.580 57 HG3 GLU 7 HG2 GLU 7 17.585 5.693 0.849 58 H ASP 8 H ASP 8 14.919 4.614 -3.234 59 HA ASP 8 HA ASP 8 12.693 6.259 -3.481 60 HB2 ASP 8 HB3 ASP 8 13.860 4.329 -5.496 61 HB3 ASP 8 HB2 ASP 8 12.621 5.516 -5.881 62 H LYS 9 H LYS 9 12.905 2.766 -3.993 63 HA LYS 9 HA LYS 9 10.232 2.136 -4.382 64 HB2 LYS 9 HB3 LYS 9 11.858 0.453 -2.500 65 HB3 LYS 9 HB2 LYS 9 10.650 -0.050 -3.671 66 HG2 LYS 9 HG3 LYS 9 12.194 0.539 -5.506 67 HG3 LYS 9 HG2 LYS 9 13.429 0.913 -4.302 68 HD2 LYS 9 HD3 LYS 9 13.366 -1.362 -3.482 69 HD3 LYS 9 HD2 LYS 9 12.049 -1.753 -4.587 70 HE2 LYS 9 HE3 LYS 9 13.526 -1.321 -6.489 71 HE3 LYS 9 HE2 LYS 9 14.841 -0.941 -5.379 72 HZ1 LYS 9 HZ1 LYS 9 13.471 -3.564 -5.647 73 HZ2 LYS 9 HZ2 LYS 9 14.661 -3.216 -4.500 74 HZ3 LYS 9 HZ3 LYS 9 15.047 -3.198 -6.145 75 H VAL 10 H VAL 10 11.927 2.273 -1.273 76 HA VAL 10 HA VAL 10 9.821 1.472 0.371 77 HB VAL 10 HB VAL 10 12.071 3.357 1.112 78 HG11 VAL 10 HG11 VAL 10 11.677 2.523 3.389 79 HG12 VAL 10 HG12 VAL 10 10.297 1.598 2.802 80 HG13 VAL 10 HG13 VAL 10 10.267 3.360 2.739 81 HG21 VAL 10 HG21 VAL 10 11.927 0.349 1.275 82 HG22 VAL 10 HG22 VAL 10 13.235 1.357 1.897 83 HG23 VAL 10 HG23 VAL 10 12.928 1.282 0.162 84 H GLU 11 H GLU 11 10.923 4.637 -0.632 85 HA GLU 11 HA GLU 11 9.015 6.112 0.884 86 HB2 GLU 11 HB3 GLU 11 10.528 6.979 -1.582 87 HB3 GLU 11 HB2 GLU 11 9.686 8.044 -0.465 88 HG2 GLU 11 HG3 GLU 11 12.130 6.383 0.084 89 HG3 GLU 11 HG2 GLU 11 12.016 8.139 0.013 90 H GLU 12 H GLU 12 9.092 5.167 -2.566 91 HA GLU 12 HA GLU 12 6.688 6.472 -3.271 92 HB2 GLU 12 HB3 GLU 12 8.325 5.696 -4.924 93 HB3 GLU 12 HB2 GLU 12 7.978 4.026 -4.498 94 HG2 GLU 12 HG3 GLU 12 5.643 4.376 -5.251 95 HG3 GLU 12 HG2 GLU 12 6.103 5.989 -5.796 96 H LEU 13 H LEU 13 7.242 3.007 -2.801 97 HA LEU 13 HA LEU 13 4.648 2.120 -2.961 98 HB2 LEU 13 HB3 LEU 13 6.867 0.993 -1.261 99 HB3 LEU 13 HB2 LEU 13 5.406 0.137 -1.714 100 HG LEU 13 HG LEU 13 7.516 1.119 -3.639 101 HD11 LEU 13 HD11 LEU 13 6.889 -1.656 -2.651 102 HD12 LEU 13 HD12 LEU 13 8.330 -0.714 -2.272 103 HD13 LEU 13 HD13 LEU 13 8.038 -1.255 -3.925 104 HD21 LEU 13 HD21 LEU 13 5.037 -0.540 -4.076 105 HD22 LEU 13 HD22 LEU 13 6.290 -0.246 -5.282 106 HD23 LEU 13 HD23 LEU 13 5.326 1.096 -4.666 107 H LEU 14 H LEU 14 6.330 3.289 -0.061 108 HA LEU 14 HA LEU 14 4.298 2.588 1.752 109 HB2 LEU 14 HB3 LEU 14 6.583 3.063 2.471 110 HB3 LEU 14 HB2 LEU 14 6.415 4.732 1.981 111 HG LEU 14 HG LEU 14 4.649 5.026 3.703 112 HD11 LEU 14 HD11 LEU 14 5.438 2.221 4.480 113 HD12 LEU 14 HD12 LEU 14 3.858 2.755 3.906 114 HD13 LEU 14 HD13 LEU 14 4.462 3.309 5.466 115 HD21 LEU 14 HD21 LEU 14 6.959 5.647 4.158 116 HD22 LEU 14 HD22 LEU 14 7.300 4.009 4.715 117 HD23 LEU 14 HD23 LEU 14 6.173 5.027 5.611 118 H SER 15 H SER 15 4.955 5.609 -0.028 119 HA SER 15 HA SER 15 2.857 7.109 1.075 120 HB2 SER 15 HB3 SER 15 4.014 7.261 -1.722 121 HB3 SER 15 HB2 SER 15 3.083 8.524 -0.914 122 HG SER 15 HG SER 15 5.724 7.711 -0.518 123 H LYS 16 H LYS 16 2.952 4.929 -1.706 124 HA LYS 16 HA LYS 16 0.243 5.300 -2.480 125 HB2 LYS 16 HB3 LYS 16 2.342 4.216 -3.706 126 HB3 LYS 16 HB2 LYS 16 1.727 2.740 -2.990 127 HG2 LYS 16 HG3 LYS 16 0.149 4.527 -4.846 128 HG3 LYS 16 HG2 LYS 16 1.032 3.088 -5.332 129 HD2 LYS 16 HD3 LYS 16 -0.367 1.717 -3.885 130 HD3 LYS 16 HD2 LYS 16 -1.245 3.154 -3.360 131 HE2 LYS 16 HE3 LYS 16 -2.437 1.861 -5.103 132 HE3 LYS 16 HE2 LYS 16 -2.085 3.516 -5.588 133 HZ1 LYS 16 HZ1 LYS 16 -1.626 1.967 -7.372 134 HZ2 LYS 16 HZ2 LYS 16 -0.558 1.102 -6.395 135 HZ3 LYS 16 HZ3 LYS 16 -0.190 2.686 -6.850 136 H ASN 17 H ASN 17 1.928 2.906 -0.503 137 HA ASN 17 HA ASN 17 -0.115 1.229 0.277 138 HB2 ASN 17 HB3 ASN 17 2.180 0.807 0.903 139 HB3 ASN 17 HB2 ASN 17 2.246 2.293 1.835 140 HD21 ASN 17 HD21 ASN 17 1.216 -1.031 1.832 141 HD22 ASN 17 HD22 ASN 17 0.760 -1.082 3.493 142 H TYR 18 H TYR 18 0.847 4.304 1.798 143 HA TYR 18 HA TYR 18 -1.027 4.208 3.884 144 HB2 TYR 18 HB3 TYR 18 0.469 6.474 2.607 145 HB3 TYR 18 HB2 TYR 18 -0.754 6.793 3.830 146 HD1 TYR 18 HD1 TYR 18 -0.220 4.395 5.612 147 HD2 TYR 18 HD2 TYR 18 2.412 7.181 3.748 148 HE1 TYR 18 HE1 TYR 18 1.439 4.004 7.376 149 HE2 TYR 18 HE2 TYR 18 4.076 6.787 5.509 150 HH TYR 18 HH TYR 18 4.111 6.004 7.865 151 H HIS 19 H HIS 19 -1.247 5.698 0.671 152 HA HIS 19 HA HIS 19 -3.783 6.841 0.990 153 HB2 HIS 19 HB3 HIS 19 -2.328 7.350 -0.934 154 HB3 HIS 19 HB2 HIS 19 -2.563 5.717 -1.545 155 HD1 HIS 19 HD1 HIS 19 -4.487 8.917 -0.946 156 HD2 HIS 19 HD2 HIS 19 -4.834 5.357 -3.060 157 HE1 HIS 19 HE1 HIS 19 -6.504 9.201 -2.421 158 HE2 HIS 19 HE2 HIS 19 -6.742 7.009 -3.639 159 H LEU 20 H LEU 20 -2.806 3.588 0.044 160 HA LEU 20 HA LEU 20 -5.392 2.663 -0.629 161 HB2 LEU 20 HB3 LEU 20 -2.989 1.112 0.327 162 HB3 LEU 20 HB2 LEU 20 -4.431 0.413 -0.380 163 HG LEU 20 HG LEU 20 -2.523 2.266 -1.795 164 HD11 LEU 20 HD11 LEU 20 -1.898 0.292 -3.072 165 HD12 LEU 20 HD12 LEU 20 -2.971 -0.698 -2.082 166 HD13 LEU 20 HD13 LEU 20 -1.561 0.070 -1.355 167 HD21 LEU 20 HD21 LEU 20 -4.955 0.775 -2.777 168 HD22 LEU 20 HD22 LEU 20 -3.819 1.654 -3.796 169 HD23 LEU 20 HD23 LEU 20 -4.793 2.524 -2.615 170 H GLU 21 H GLU 21 -3.493 2.492 2.365 171 HA GLU 21 HA GLU 21 -5.312 0.967 3.862 172 HB2 GLU 21 HB3 GLU 21 -2.830 2.060 4.304 173 HB3 GLU 21 HB2 GLU 21 -3.839 3.043 5.351 174 HG2 GLU 21 HG3 GLU 21 -3.596 0.032 5.441 175 HG3 GLU 21 HG2 GLU 21 -2.864 1.179 6.556 176 H ASN 22 H ASN 22 -5.071 4.448 3.311 177 HA ASN 22 HA ASN 22 -7.215 5.176 5.018 178 HB2 ASN 22 HB3 ASN 22 -5.864 6.547 2.708 179 HB3 ASN 22 HB2 ASN 22 -7.288 7.246 3.467 180 HD21 ASN 22 HD21 ASN 22 -7.155 7.997 5.588 181 HD22 ASN 22 HD22 ASN 22 -5.634 8.314 6.349 182 H GLU 23 H GLU 23 -7.041 4.373 1.568 183 HA GLU 23 HA GLU 23 -9.748 4.882 0.969 184 HB2 GLU 23 HB3 GLU 23 -7.729 3.046 -0.318 185 HB3 GLU 23 HB2 GLU 23 -9.351 3.280 -0.959 186 HG2 GLU 23 HG3 GLU 23 -7.326 5.469 -0.557 187 HG3 GLU 23 HG2 GLU 23 -7.648 4.651 -2.085 188 H VAL 24 H VAL 24 -8.091 1.992 2.148 189 HA VAL 24 HA VAL 24 -10.201 0.190 1.968 190 HB VAL 24 HB VAL 24 -8.029 0.318 4.070 191 HG11 VAL 24 HG11 VAL 24 -9.902 -1.944 3.378 192 HG12 VAL 24 HG12 VAL 24 -9.905 -1.013 4.876 193 HG13 VAL 24 HG13 VAL 24 -8.532 -2.048 4.483 194 HG21 VAL 24 HG21 VAL 24 -6.979 -1.441 2.706 195 HG22 VAL 24 HG22 VAL 24 -7.166 0.069 1.814 196 HG23 VAL 24 HG23 VAL 24 -8.272 -1.273 1.518 197 H ALA 25 H ALA 25 -9.219 2.090 4.831 198 HA ALA 25 HA ALA 25 -11.420 1.556 6.449 199 HB1 ALA 25 HB1 ALA 25 -9.377 2.658 7.231 200 HB2 ALA 25 HB2 ALA 25 -10.816 3.571 7.675 201 HB3 ALA 25 HB3 ALA 25 -9.814 4.107 6.328 202 H ARG 26 H ARG 26 -10.962 4.148 4.103 203 HA ARG 26 HA ARG 26 -13.272 5.619 4.403 204 HB2 ARG 26 HB3 ARG 26 -11.487 6.339 2.968 205 HB3 ARG 26 HB2 ARG 26 -11.648 4.915 1.957 206 HG2 ARG 26 HG3 ARG 26 -13.855 5.730 1.216 207 HG3 ARG 26 HG2 ARG 26 -13.601 7.195 2.171 208 HD2 ARG 26 HD2 ARG 26 -11.572 7.673 0.886 209 HD3 ARG 26 HD1 ARG 26 -11.833 6.217 -0.068 210 HE ARG 26 HE ARG 26 -14.124 7.792 -0.277 211 HH11 ARG 26 HH11 ARG 26 -10.748 7.847 -1.231 212 HH12 ARG 26 HH12 ARG 26 -11.028 8.904 -2.585 213 HH21 ARG 26 HH21 ARG 26 -14.482 9.165 -2.073 214 HH22 ARG 26 HH22 ARG 26 -13.143 9.642 -3.069 215 H LEU 27 H LEU 27 -12.741 2.978 2.082 216 HA LEU 27 HA LEU 27 -15.382 2.916 1.151 217 HB2 LEU 27 HB3 LEU 27 -13.168 0.884 1.081 218 HB3 LEU 27 HB2 LEU 27 -14.711 0.637 0.282 219 HG LEU 27 HG LEU 27 -12.935 2.997 -0.281 220 HD11 LEU 27 HD11 LEU 27 -11.710 0.999 -0.832 221 HD12 LEU 27 HD12 LEU 27 -12.249 1.800 -2.307 222 HD13 LEU 27 HD13 LEU 27 -13.091 0.364 -1.724 223 HD21 LEU 27 HD21 LEU 27 -14.272 3.133 -2.334 224 HD22 LEU 27 HD22 LEU 27 -15.264 3.305 -0.887 225 HD23 LEU 27 HD23 LEU 27 -15.253 1.780 -1.773 226 H LYS 28 H LYS 28 -13.930 1.427 3.947 227 HA LYS 28 HA LYS 28 -15.853 -0.605 4.330 228 HB2 LYS 28 HB3 LYS 28 -13.930 0.762 6.197 229 HB3 LYS 28 HB2 LYS 28 -15.064 -0.454 6.769 230 HG2 LYS 28 HG3 LYS 28 -14.113 -2.039 5.126 231 HG3 LYS 28 HG2 LYS 28 -12.913 -0.818 4.701 232 HD2 LYS 28 HD3 LYS 28 -11.934 -0.890 6.860 233 HD3 LYS 28 HD2 LYS 28 -13.301 -1.811 7.522 234 HE2 LYS 28 HE3 LYS 28 -12.662 -3.686 5.991 235 HE3 LYS 28 HE2 LYS 28 -11.207 -2.783 5.560 236 HZ1 LYS 28 HZ1 LYS 28 -10.546 -2.822 7.886 237 HZ2 LYS 28 HZ2 LYS 28 -10.769 -4.392 7.303 238 HZ3 LYS 28 HZ3 LYS 28 -11.940 -3.686 8.296 239 H LYS 29 H LYS 29 -15.566 2.684 5.706 240 HA LYS 29 HA LYS 29 -18.150 2.447 6.946 241 HB2 LYS 29 HB3 LYS 29 -17.897 4.754 7.587 242 HB3 LYS 29 HB2 LYS 29 -16.397 3.889 7.880 243 HG2 LYS 29 HG3 LYS 29 -15.486 4.833 5.790 244 HG3 LYS 29 HG2 LYS 29 -16.976 5.764 5.599 245 HD2 LYS 29 HD3 LYS 29 -16.543 6.743 7.859 246 HD3 LYS 29 HD2 LYS 29 -14.966 5.959 7.835 247 HE2 LYS 29 HE3 LYS 29 -14.666 8.218 7.126 248 HE3 LYS 29 HE2 LYS 29 -14.474 7.177 5.717 249 HZ1 LYS 29 HZ1 LYS 29 -16.741 7.713 5.064 250 HZ2 LYS 29 HZ2 LYS 29 -15.805 9.112 5.199 251 HZ3 LYS 29 HZ3 LYS 29 -16.917 8.718 6.411 252 H LEU 30 H LEU 30 -17.313 2.813 3.753 253 HA LEU 30 HA LEU 30 -19.507 4.619 3.106 254 HB2 LEU 30 HB3 LEU 30 -17.080 3.724 1.757 255 HB3 LEU 30 HB2 LEU 30 -18.472 3.810 0.699 256 HG LEU 30 HG LEU 30 -17.129 5.873 0.659 257 HD11 LEU 30 HD11 LEU 30 -19.858 6.232 1.882 258 HD12 LEU 30 HD12 LEU 30 -19.520 5.958 0.175 259 HD13 LEU 30 HD13 LEU 30 -18.965 7.438 0.956 260 HD21 LEU 30 HD21 LEU 30 -17.952 6.150 3.547 261 HD22 LEU 30 HD22 LEU 30 -17.110 7.365 2.586 262 HD23 LEU 30 HD23 LEU 30 -16.318 5.835 2.963 263 H VAL 31 H VAL 31 -18.882 1.183 3.029 264 HA VAL 31 HA VAL 31 -20.719 0.470 1.024 265 HB VAL 31 HB VAL 31 -20.636 -1.784 1.869 266 HG11 VAL 31 HG11 VAL 31 -17.979 -0.391 2.090 267 HG12 VAL 31 HG12 VAL 31 -18.670 -1.189 0.675 268 HG13 VAL 31 HG13 VAL 31 -18.176 -2.143 2.072 269 HG21 VAL 31 HG21 VAL 31 -20.979 -1.346 4.213 270 HG22 VAL 31 HG22 VAL 31 -19.376 -0.623 4.338 271 HG23 VAL 31 HG23 VAL 31 -19.544 -2.344 3.987 272 H GLY 32 H GLY 32 -21.315 1.747 4.101 273 HA2 GLY 32 HA3 GLY 32 -23.767 2.263 4.397 274 HA3 GLY 32 HA2 GLY 32 -24.001 0.531 4.189 275 H GLU 33 H GLU 33 -21.966 2.714 6.130 276 HA GLU 33 HA GLU 33 -22.418 0.910 8.411 277 HB2 GLU 33 HB3 GLU 33 -20.045 1.177 7.503 278 HB3 GLU 33 HB2 GLU 33 -20.107 2.826 8.110 279 HG2 GLU 33 HG3 GLU 33 -18.980 1.424 9.699 280 HG3 GLU 33 HG2 GLU 33 -20.522 1.950 10.372 281 H1 GLY 1 H1 GLY 1 24.539 2.370 5.535 282 H2 GLY 1 H2 GLY 1 26.107 2.089 6.098 283 H3 GLY 1 H3 GLY 1 24.793 1.971 7.155 284 HA2 GLY 1 HA2 GLY 1 25.335 0.192 4.850 285 HA3 GLY 1 HA3 GLY 1 25.572 -0.219 6.540 286 H SER 2 H SER 2 24.141 -1.977 6.274 287 HA SER 2 HA SER 2 22.166 -3.039 6.543 288 HB2 SER 2 HB3 SER 2 21.138 -0.293 7.277 289 HB3 SER 2 HB2 SER 2 20.315 -1.817 7.597 290 HG SER 2 HG SER 2 22.938 -1.631 8.487 291 H MET 3 H MET 3 22.864 -2.212 3.939 292 HA MET 3 HA MET 3 20.718 -1.089 2.505 293 HB2 MET 3 HB3 MET 3 22.937 -1.338 1.525 294 HB3 MET 3 HB2 MET 3 22.812 -3.087 1.627 295 HG2 MET 3 HG3 MET 3 20.969 -3.053 0.029 296 HG3 MET 3 HG2 MET 3 21.100 -1.298 -0.077 297 HE1 MET 3 HE1 MET 3 21.200 -3.357 -2.570 298 HE2 MET 3 HE2 MET 3 22.469 -2.604 -3.537 299 HE3 MET 3 HE3 MET 3 21.253 -1.603 -2.745 300 H LYS 4 H LYS 4 21.419 -4.359 3.569 301 HA LYS 4 HA LYS 4 19.322 -5.642 2.190 302 HB2 LYS 4 HB3 LYS 4 19.653 -7.516 3.670 303 HB3 LYS 4 HB2 LYS 4 21.215 -6.860 3.219 304 HG2 LYS 4 HG3 LYS 4 19.961 -5.951 5.760 305 HG3 LYS 4 HG2 LYS 4 20.680 -7.558 5.691 306 HD2 LYS 4 HD3 LYS 4 22.123 -5.019 4.934 307 HD3 LYS 4 HD2 LYS 4 22.216 -5.775 6.524 308 HE2 LYS 4 HE3 LYS 4 23.061 -7.839 5.432 309 HE3 LYS 4 HE2 LYS 4 23.079 -6.976 3.897 310 HZ1 LYS 4 HZ1 LYS 4 25.257 -6.958 4.879 311 HZ2 LYS 4 HZ2 LYS 4 24.657 -6.289 6.311 312 HZ3 LYS 4 HZ3 LYS 4 24.637 -5.385 4.883 313 H GLN 5 H GLN 5 19.327 -3.689 5.080 314 HA GLN 5 HA GLN 5 16.806 -4.692 6.028 315 HB2 GLN 5 HB3 GLN 5 18.421 -2.268 6.828 316 HB3 GLN 5 HB2 GLN 5 16.901 -2.719 7.585 317 HG2 GLN 5 HG3 GLN 5 18.046 -4.986 8.031 318 HG3 GLN 5 HG2 GLN 5 19.541 -4.118 7.691 319 HE21 GLN 5 HE21 GLN 5 20.297 -2.617 9.165 320 HE22 GLN 5 HE22 GLN 5 19.605 -2.420 10.737 321 H LEU 6 H LEU 6 17.878 -2.244 3.836 322 HA LEU 6 HA LEU 6 15.438 -0.791 3.697 323 HB2 LEU 6 HB3 LEU 6 17.581 -1.163 1.594 324 HB3 LEU 6 HB2 LEU 6 16.233 -0.057 1.454 325 HG LEU 6 HG LEU 6 18.472 0.106 3.470 326 HD11 LEU 6 HD11 LEU 6 19.108 0.762 1.217 327 HD12 LEU 6 HD12 LEU 6 19.031 2.163 2.286 328 HD13 LEU 6 HD13 LEU 6 17.729 1.858 1.136 329 HD21 LEU 6 HD21 LEU 6 17.417 2.269 4.079 330 HD22 LEU 6 HD22 LEU 6 16.449 0.864 4.515 331 HD23 LEU 6 HD23 LEU 6 16.020 1.821 3.097 332 H GLU 7 H GLU 7 16.699 -3.649 2.108 333 HA GLU 7 HA GLU 7 14.620 -4.063 0.273 334 HB2 GLU 7 HB3 GLU 7 16.550 -5.928 1.632 335 HB3 GLU 7 HB2 GLU 7 15.348 -6.514 0.492 336 HG2 GLU 7 HG3 GLU 7 17.342 -4.363 -0.175 337 HG3 GLU 7 HG2 GLU 7 17.633 -6.098 -0.450 338 H ASP 8 H ASP 8 14.999 -5.037 3.654 339 HA ASP 8 HA ASP 8 12.783 -6.693 3.909 340 HB2 ASP 8 HB3 ASP 8 13.969 -4.772 5.921 341 HB3 ASP 8 HB2 ASP 8 12.732 -5.960 6.314 342 H LYS 9 H LYS 9 12.987 -3.200 4.437 343 HA LYS 9 HA LYS 9 10.316 -2.581 4.852 344 HB2 LYS 9 HB3 LYS 9 11.918 -0.883 2.962 345 HB3 LYS 9 HB2 LYS 9 10.718 -0.390 4.148 346 HG2 LYS 9 HG3 LYS 9 12.280 -0.978 5.966 347 HG3 LYS 9 HG2 LYS 9 13.506 -1.347 4.750 348 HD2 LYS 9 HD3 LYS 9 13.430 0.932 3.935 349 HD3 LYS 9 HD2 LYS 9 12.124 1.316 5.056 350 HE2 LYS 9 HE3 LYS 9 13.623 0.880 6.939 351 HE3 LYS 9 HE2 LYS 9 14.927 0.508 5.813 352 HZ1 LYS 9 HZ1 LYS 9 13.552 3.123 6.103 353 HZ2 LYS 9 HZ2 LYS 9 14.740 2.782 4.950 354 HZ3 LYS 9 HZ3 LYS 9 15.128 2.759 6.596 355 H VAL 10 H VAL 10 11.981 -2.699 1.728 356 HA VAL 10 HA VAL 10 9.857 -1.900 0.107 357 HB VAL 10 HB VAL 10 12.102 -3.780 -0.656 358 HG11 VAL 10 HG11 VAL 10 11.688 -2.947 -2.932 359 HG12 VAL 10 HG12 VAL 10 10.308 -2.029 -2.333 360 HG13 VAL 10 HG13 VAL 10 10.289 -3.791 -2.270 361 HG21 VAL 10 HG21 VAL 10 11.949 -0.772 -0.813 362 HG22 VAL 10 HG22 VAL 10 13.255 -1.771 -1.451 363 HG23 VAL 10 HG23 VAL 10 12.965 -1.705 0.286 364 H GLU 11 H GLU 11 10.979 -5.066 1.088 365 HA GLU 11 HA GLU 11 9.063 -6.544 -0.415 366 HB2 GLU 11 HB3 GLU 11 10.606 -7.411 2.032 367 HB3 GLU 11 HB2 GLU 11 9.758 -8.476 0.921 368 HG2 GLU 11 HG3 GLU 11 12.194 -6.807 0.364 369 HG3 GLU 11 HG2 GLU 11 12.077 -8.563 0.406 370 H GLU 12 H GLU 12 9.171 -5.611 3.039 371 HA GLU 12 HA GLU 12 6.777 -6.926 3.763 372 HB2 GLU 12 HB3 GLU 12 8.428 -6.149 5.401 373 HB3 GLU 12 HB2 GLU 12 8.072 -4.481 4.982 374 HG2 GLU 12 HG3 GLU 12 5.746 -4.834 5.757 375 HG3 GLU 12 HG2 GLU 12 6.213 -6.446 6.293 376 H LEU 13 H LEU 13 7.318 -3.459 3.298 377 HA LEU 13 HA LEU 13 4.721 -2.577 3.489 378 HB2 LEU 13 HB3 LEU 13 6.921 -1.441 1.770 379 HB3 LEU 13 HB2 LEU 13 5.462 -0.590 2.238 380 HG LEU 13 HG LEU 13 7.591 -1.570 4.142 381 HD11 LEU 13 HD11 LEU 13 6.942 1.207 3.169 382 HD12 LEU 13 HD12 LEU 13 8.384 0.272 2.771 383 HD13 LEU 13 HD13 LEU 13 8.106 0.804 4.430 384 HD21 LEU 13 HD21 LEU 13 5.103 0.072 4.602 385 HD22 LEU 13 HD22 LEU 13 6.369 -0.212 5.797 386 HD23 LEU 13 HD23 LEU 13 5.411 -1.562 5.189 387 H LEU 14 H LEU 14 6.379 -3.732 0.568 388 HA LEU 14 HA LEU 14 4.330 -3.031 -1.225 389 HB2 LEU 14 HB3 LEU 14 6.610 -3.499 -1.966 390 HB3 LEU 14 HB2 LEU 14 6.449 -5.169 -1.477 391 HG LEU 14 HG LEU 14 4.670 -5.465 -3.184 392 HD11 LEU 14 HD11 LEU 14 5.439 -2.658 -3.962 393 HD12 LEU 14 HD12 LEU 14 3.867 -3.196 -3.369 394 HD13 LEU 14 HD13 LEU 14 4.455 -3.747 -4.935 395 HD21 LEU 14 HD21 LEU 14 6.980 -6.075 -3.662 396 HD22 LEU 14 HD22 LEU 14 7.306 -4.434 -4.220 397 HD23 LEU 14 HD23 LEU 14 6.176 -5.457 -5.106 398 H SER 15 H SER 15 5.011 -6.054 0.537 399 HA SER 15 HA SER 15 2.909 -7.560 -0.551 400 HB2 SER 15 HB3 SER 15 4.084 -7.712 2.236 401 HB3 SER 15 HB2 SER 15 3.159 -8.982 1.430 402 HG SER 15 HG SER 15 5.789 -8.145 1.028 403 H LYS 16 H LYS 16 3.022 -5.391 2.239 404 HA LYS 16 HA LYS 16 0.324 -5.772 3.036 405 HB2 LYS 16 HB3 LYS 16 2.431 -4.685 4.244 406 HB3 LYS 16 HB2 LYS 16 1.805 -3.209 3.541 407 HG2 LYS 16 HG3 LYS 16 0.251 -5.006 5.402 408 HG3 LYS 16 HG2 LYS 16 1.134 -3.567 5.887 409 HD2 LYS 16 HD3 LYS 16 -0.286 -2.196 4.457 410 HD3 LYS 16 HD2 LYS 16 -1.162 -3.636 3.937 411 HE2 LYS 16 HE3 LYS 16 -2.337 -2.347 5.697 412 HE3 LYS 16 HE2 LYS 16 -1.985 -4.004 6.166 413 HZ1 LYS 16 HZ1 LYS 16 -1.510 -2.478 7.958 414 HZ2 LYS 16 HZ2 LYS 16 -0.451 -1.600 6.979 415 HZ3 LYS 16 HZ3 LYS 16 -0.076 -3.187 7.416 416 H ASN 17 H ASN 17 1.980 -3.365 1.051 417 HA ASN 17 HA ASN 17 -0.079 -1.691 0.298 418 HB2 ASN 17 HB3 ASN 17 2.208 -1.259 -0.349 419 HB3 ASN 17 HB2 ASN 17 2.273 -2.742 -1.284 420 HD21 ASN 17 HD21 ASN 17 1.220 0.579 -1.262 421 HD22 ASN 17 HD22 ASN 17 0.759 0.630 -2.923 422 H TYR 18 H TYR 18 0.883 -4.758 -1.246 423 HA TYR 18 HA TYR 18 -1.012 -4.665 -3.312 424 HB2 TYR 18 HB3 TYR 18 0.504 -6.931 -2.057 425 HB3 TYR 18 HB2 TYR 18 -0.729 -7.248 -3.269 426 HD1 TYR 18 HD1 TYR 18 -0.228 -4.847 -5.048 427 HD2 TYR 18 HD2 TYR 18 2.444 -7.621 -3.217 428 HE1 TYR 18 HE1 TYR 18 1.411 -4.439 -6.827 429 HE2 TYR 18 HE2 TYR 18 4.086 -7.209 -4.996 430 HH TYR 18 HH TYR 18 4.123 -6.409 -7.323 431 H HIS 19 H HIS 19 -1.194 -6.173 -0.102 432 HA HIS 19 HA HIS 19 -3.729 -7.319 -0.401 433 HB2 HIS 19 HB3 HIS 19 -2.256 -7.829 1.506 434 HB3 HIS 19 HB2 HIS 19 -2.492 -6.198 2.127 435 HD1 HIS 19 HD1 HIS 19 -4.411 -9.402 1.529 436 HD2 HIS 19 HD2 HIS 19 -4.752 -5.851 3.660 437 HE1 HIS 19 HE1 HIS 19 -6.408 -9.702 3.026 438 HE2 HIS 19 HE2 HIS 19 -6.640 -7.517 4.257 439 H LEU 20 H LEU 20 -2.757 -4.066 0.547 440 HA LEU 20 HA LEU 20 -5.342 -3.156 1.246 441 HB2 LEU 20 HB3 LEU 20 -2.957 -1.584 0.276 442 HB3 LEU 20 HB2 LEU 20 -4.397 -0.898 1.002 443 HG LEU 20 HG LEU 20 -2.465 -2.747 2.391 444 HD11 LEU 20 HD11 LEU 20 -1.838 -0.774 3.670 445 HD12 LEU 20 HD12 LEU 20 -2.924 0.213 2.693 446 HD13 LEU 20 HD13 LEU 20 -1.516 -0.546 1.951 447 HD21 LEU 20 HD21 LEU 20 -4.892 -1.269 3.399 448 HD22 LEU 20 HD22 LEU 20 -3.743 -2.149 4.405 449 HD23 LEU 20 HD23 LEU 20 -4.726 -3.016 3.228 450 H GLU 21 H GLU 21 -3.471 -2.963 -1.767 451 HA GLU 21 HA GLU 21 -5.312 -1.443 -3.242 452 HB2 GLU 21 HB3 GLU 21 -2.831 -2.524 -3.713 453 HB3 GLU 21 HB2 GLU 21 -3.847 -3.509 -4.751 454 HG2 GLU 21 HG3 GLU 21 -3.611 -0.500 -4.838 455 HG3 GLU 21 HG2 GLU 21 -2.892 -1.642 -5.965 456 H ASN 22 H ASN 22 -5.051 -4.922 -2.696 457 HA ASN 22 HA ASN 22 -7.212 -5.652 -4.385 458 HB2 ASN 22 HB3 ASN 22 -5.833 -7.033 -2.098 459 HB3 ASN 22 HB2 ASN 22 -7.263 -7.731 -2.848 460 HD21 ASN 22 HD21 ASN 22 -7.146 -8.469 -4.977 461 HD22 ASN 22 HD22 ASN 22 -5.631 -8.769 -5.755 462 H GLU 23 H GLU 23 -7.007 -4.857 -0.936 463 HA GLU 23 HA GLU 23 -9.704 -5.379 -0.310 464 HB2 GLU 23 HB3 GLU 23 -7.683 -3.535 0.960 465 HB3 GLU 23 HB2 GLU 23 -9.296 -3.785 1.624 466 HG2 GLU 23 HG3 GLU 23 -7.251 -5.951 1.184 467 HG3 GLU 23 HG2 GLU 23 -7.571 -5.149 2.722 468 H VAL 24 H VAL 24 -8.073 -2.476 -1.500 469 HA VAL 24 HA VAL 24 -10.189 -0.682 -1.294 470 HB VAL 24 HB VAL 24 -8.034 -0.802 -3.416 471 HG11 VAL 24 HG11 VAL 24 -9.901 1.458 -2.700 472 HG12 VAL 24 HG12 VAL 24 -9.921 0.530 -4.198 473 HG13 VAL 24 HG13 VAL 24 -8.542 1.562 -3.818 474 HG21 VAL 24 HG21 VAL 24 -6.976 0.958 -2.058 475 HG22 VAL 24 HG22 VAL 24 -7.149 -0.556 -1.170 476 HG23 VAL 24 HG23 VAL 24 -8.256 0.781 -0.858 477 H ALA 25 H ALA 25 -9.223 -2.571 -4.173 478 HA ALA 25 HA ALA 25 -11.439 -2.043 -5.772 479 HB1 ALA 25 HB1 ALA 25 -9.398 -3.132 -6.572 480 HB2 ALA 25 HB2 ALA 25 -10.837 -4.051 -7.007 481 HB3 ALA 25 HB3 ALA 25 -9.821 -4.585 -5.670 482 H ARG 26 H ARG 26 -10.951 -4.640 -3.437 483 HA ARG 26 HA ARG 26 -13.256 -6.121 -3.722 484 HB2 ARG 26 HB3 ARG 26 -11.457 -6.839 -2.305 485 HB3 ARG 26 HB2 ARG 26 -11.613 -5.419 -1.290 486 HG2 ARG 26 HG3 ARG 26 -13.811 -6.244 -0.530 487 HG3 ARG 26 HG2 ARG 26 -13.560 -7.705 -1.491 488 HD2 ARG 26 HD2 ARG 26 -11.516 -8.177 -0.224 489 HD3 ARG 26 HD1 ARG 26 -11.777 -6.726 0.738 490 HE ARG 26 HE ARG 26 -14.054 -8.326 0.959 491 HH11 ARG 26 HH11 ARG 26 -10.668 -8.346 1.875 492 HH12 ARG 26 HH12 ARG 26 -10.919 -9.404 3.232 493 HH21 ARG 26 HH21 ARG 26 -14.379 -9.696 2.760 494 HH22 ARG 26 HH22 ARG 26 -13.024 -10.170 3.732 495 H LEU 27 H LEU 27 -12.717 -3.487 -1.393 496 HA LEU 27 HA LEU 27 -15.351 -3.439 -0.440 497 HB2 LEU 27 HB3 LEU 27 -13.147 -1.397 -0.379 498 HB3 LEU 27 HB2 LEU 27 -14.683 -1.164 0.436 499 HG LEU 27 HG LEU 27 -12.891 -3.513 0.972 500 HD11 LEU 27 HD11 LEU 27 -11.665 -1.519 1.516 501 HD12 LEU 27 HD12 LEU 27 -12.187 -2.321 2.994 502 HD13 LEU 27 HD13 LEU 27 -13.038 -0.886 2.421 503 HD21 LEU 27 HD21 LEU 27 -14.202 -3.665 3.039 504 HD22 LEU 27 HD22 LEU 27 -15.210 -3.837 1.602 505 HD23 LEU 27 HD23 LEU 27 -15.196 -2.315 2.493 506 H LYS 28 H LYS 28 -13.922 -1.924 -3.242 507 HA LYS 28 HA LYS 28 -15.861 0.094 -3.597 508 HB2 LYS 28 HB3 LYS 28 -13.952 -1.253 -5.492 509 HB3 LYS 28 HB2 LYS 28 -15.098 -0.039 -6.046 510 HG2 LYS 28 HG3 LYS 28 -14.129 1.551 -4.411 511 HG3 LYS 28 HG2 LYS 28 -12.925 0.327 -4.000 512 HD2 LYS 28 HD3 LYS 28 -11.967 0.402 -6.168 513 HD3 LYS 28 HD2 LYS 28 -13.341 1.324 -6.816 514 HE2 LYS 28 HE3 LYS 28 -12.689 3.197 -5.287 515 HE3 LYS 28 HE2 LYS 28 -11.233 2.291 -4.867 516 HZ1 LYS 28 HZ1 LYS 28 -10.586 2.328 -7.197 517 HZ2 LYS 28 HZ2 LYS 28 -10.796 3.898 -6.608 518 HZ3 LYS 28 HZ3 LYS 28 -11.979 3.202 -7.595 519 H LYS 29 H LYS 29 -15.579 -3.198 -4.987 520 HA LYS 29 HA LYS 29 -18.173 -2.956 -6.205 521 HB2 LYS 29 HB3 LYS 29 -17.922 -5.266 -6.852 522 HB3 LYS 29 HB2 LYS 29 -16.432 -4.392 -7.163 523 HG2 LYS 29 HG3 LYS 29 -15.487 -5.334 -5.086 524 HG3 LYS 29 HG2 LYS 29 -16.968 -6.275 -4.879 525 HD2 LYS 29 HD3 LYS 29 -16.556 -7.246 -7.147 526 HD3 LYS 29 HD2 LYS 29 -14.984 -6.449 -7.139 527 HE2 LYS 29 HE3 LYS 29 -14.664 -8.711 -6.441 528 HE3 LYS 29 HE2 LYS 29 -14.452 -7.671 -5.034 529 HZ1 LYS 29 HZ1 LYS 29 -16.718 -8.213 -4.358 530 HZ2 LYS 29 HZ2 LYS 29 -15.771 -9.604 -4.486 531 HZ3 LYS 29 HZ3 LYS 29 -16.893 -9.230 -5.695 532 H LEU 30 H LEU 30 -17.306 -3.331 -3.026 533 HA LEU 30 HA LEU 30 -19.484 -5.148 -2.356 534 HB2 LEU 30 HB3 LEU 30 -17.047 -4.244 -1.033 535 HB3 LEU 30 HB2 LEU 30 -18.428 -4.337 0.042 536 HG LEU 30 HG LEU 30 -17.077 -6.397 0.060 537 HD11 LEU 30 HD11 LEU 30 -19.821 -6.764 -1.130 538 HD12 LEU 30 HD12 LEU 30 -19.461 -6.493 0.574 539 HD13 LEU 30 HD13 LEU 30 -18.912 -7.968 -0.218 540 HD21 LEU 30 HD21 LEU 30 -17.931 -6.670 -2.818 541 HD22 LEU 30 HD22 LEU 30 -17.074 -7.886 -1.870 542 HD23 LEU 30 HD23 LEU 30 -16.291 -6.352 -2.252 543 H VAL 31 H VAL 31 -18.866 -1.711 -2.273 544 HA VAL 31 HA VAL 31 -20.691 -1.012 -0.252 545 HB VAL 31 HB VAL 31 -20.611 1.236 -1.060 546 HG11 VAL 31 HG11 VAL 31 -17.959 -0.142 -1.341 547 HG12 VAL 31 HG12 VAL 31 -18.629 0.651 0.086 548 HG13 VAL 31 HG13 VAL 31 -18.155 1.609 -1.315 549 HG21 VAL 31 HG21 VAL 31 -20.990 0.838 -3.427 550 HG22 VAL 31 HG22 VAL 31 -19.384 0.128 -3.585 551 HG23 VAL 31 HG23 VAL 31 -19.557 1.841 -3.205 552 H GLY 32 H GLY 32 -21.313 -2.285 -3.321 553 HA2 GLY 32 HA3 GLY 32 -23.762 -2.787 -3.602 554 HA3 GLY 32 HA2 GLY 32 -23.993 -1.057 -3.385 555 H GLU 33 H GLU 33 -21.987 -3.241 -5.353 556 HA GLU 33 HA GLU 33 -22.453 -1.429 -7.626 557 HB2 GLU 33 HB3 GLU 33 -20.073 -1.699 -6.736 558 HB3 GLU 33 HB2 GLU 33 -20.141 -3.346 -7.347 559 HG2 GLU 33 HG3 GLU 33 -19.026 -1.943 -8.944 560 HG3 GLU 33 HG2 GLU 33 -20.579 -2.459 -9.604 Start of MODEL 19 1 H1 GLY 1 H1 GLY 1 19.999 -5.265 -4.935 2 H2 GLY 1 H2 GLY 1 20.225 -5.157 -6.606 3 H3 GLY 1 H3 GLY 1 18.747 -5.693 -5.985 4 HA2 GLY 1 HA2 GLY 1 18.561 -3.422 -6.751 5 HA3 GLY 1 HA3 GLY 1 18.324 -3.537 -5.013 6 H SER 2 H SER 2 18.895 -1.119 -5.779 7 HA SER 2 HA SER 2 21.767 -0.782 -5.218 8 HB2 SER 2 HB3 SER 2 19.993 1.105 -6.785 9 HB3 SER 2 HB2 SER 2 21.732 1.257 -6.532 10 HG SER 2 HG SER 2 22.095 -0.433 -7.865 11 H MET 3 H MET 3 22.338 0.901 -3.780 12 HA MET 3 HA MET 3 20.839 0.896 -1.472 13 HB2 MET 3 HB3 MET 3 23.269 1.452 -1.673 14 HB3 MET 3 HB2 MET 3 22.811 3.054 -2.233 15 HG2 MET 3 HG3 MET 3 23.332 3.210 0.074 16 HG3 MET 3 HG2 MET 3 21.584 3.376 -0.094 17 HE1 MET 3 HE1 MET 3 21.216 2.895 2.495 18 HE2 MET 3 HE2 MET 3 22.966 2.795 2.687 19 HE3 MET 3 HE3 MET 3 21.933 1.522 3.336 20 H LYS 4 H LYS 4 21.160 3.693 -3.699 21 HA LYS 4 HA LYS 4 19.275 5.233 -2.240 22 HB2 LYS 4 HB3 LYS 4 20.631 5.579 -4.874 23 HB3 LYS 4 HB2 LYS 4 19.247 6.589 -4.491 24 HG2 LYS 4 HG3 LYS 4 21.133 7.824 -3.853 25 HG3 LYS 4 HG2 LYS 4 20.448 7.203 -2.355 26 HD2 LYS 4 HD3 LYS 4 22.767 6.874 -2.155 27 HD3 LYS 4 HD2 LYS 4 22.115 5.289 -2.577 28 HE2 LYS 4 HE3 LYS 4 22.701 5.705 -4.931 29 HE3 LYS 4 HE2 LYS 4 23.404 7.251 -4.468 30 HZ1 LYS 4 HZ1 LYS 4 25.117 5.604 -4.668 31 HZ2 LYS 4 HZ2 LYS 4 24.323 4.568 -3.597 32 HZ3 LYS 4 HZ3 LYS 4 24.961 6.030 -3.038 33 H GLN 5 H GLN 5 18.963 3.131 -5.064 34 HA GLN 5 HA GLN 5 16.327 3.915 -5.707 35 HB2 GLN 5 HB3 GLN 5 17.817 1.354 -6.276 36 HB3 GLN 5 HB2 GLN 5 16.206 1.695 -6.893 37 HG2 GLN 5 HG3 GLN 5 17.167 3.757 -7.958 38 HG3 GLN 5 HG2 GLN 5 18.758 3.151 -7.511 39 HE21 GLN 5 HE21 GLN 5 19.591 1.351 -8.569 40 HE22 GLN 5 HE22 GLN 5 18.914 0.754 -10.041 41 H LEU 6 H LEU 6 17.621 1.757 -3.309 42 HA LEU 6 HA LEU 6 15.151 0.410 -2.781 43 HB2 LEU 6 HB3 LEU 6 17.644 0.654 -1.097 44 HB3 LEU 6 HB2 LEU 6 16.275 -0.364 -0.711 45 HG LEU 6 HG LEU 6 18.024 -0.676 -3.152 46 HD11 LEU 6 HD11 LEU 6 19.204 -1.242 -1.102 47 HD12 LEU 6 HD12 LEU 6 18.834 -2.692 -2.035 48 HD13 LEU 6 HD13 LEU 6 17.874 -2.290 -0.612 49 HD21 LEU 6 HD21 LEU 6 16.827 -2.819 -3.403 50 HD22 LEU 6 HD22 LEU 6 15.765 -1.424 -3.586 51 HD23 LEU 6 HD23 LEU 6 15.753 -2.351 -2.085 52 H GLU 7 H GLU 7 16.928 3.036 -1.128 53 HA GLU 7 HA GLU 7 14.957 3.394 0.869 54 HB2 GLU 7 HB3 GLU 7 16.063 5.627 1.236 55 HB3 GLU 7 HB2 GLU 7 17.126 4.231 1.343 56 HG2 GLU 7 HG3 GLU 7 18.032 4.669 -0.821 57 HG3 GLU 7 HG2 GLU 7 16.843 5.960 -1.105 58 H ASP 8 H ASP 8 15.408 4.895 -2.313 59 HA ASP 8 HA ASP 8 13.235 6.714 -2.044 60 HB2 ASP 8 HB3 ASP 8 14.742 5.623 -4.403 61 HB3 ASP 8 HB2 ASP 8 13.292 6.591 -4.644 62 H LYS 9 H LYS 9 13.528 3.400 -3.144 63 HA LYS 9 HA LYS 9 10.921 3.001 -4.091 64 HB2 LYS 9 HB3 LYS 9 13.067 1.348 -3.776 65 HB3 LYS 9 HB2 LYS 9 12.077 0.829 -2.416 66 HG2 LYS 9 HG3 LYS 9 11.430 -0.658 -3.999 67 HG3 LYS 9 HG2 LYS 9 10.207 0.573 -4.265 68 HD2 LYS 9 HD3 LYS 9 12.744 0.132 -5.850 69 HD3 LYS 9 HD2 LYS 9 11.098 -0.186 -6.386 70 HE2 LYS 9 HE3 LYS 9 12.121 2.550 -5.649 71 HE3 LYS 9 HE2 LYS 9 12.135 1.911 -7.289 72 HZ1 LYS 9 HZ1 LYS 9 9.695 2.244 -5.632 73 HZ2 LYS 9 HZ2 LYS 9 9.755 1.746 -7.243 74 HZ3 LYS 9 HZ3 LYS 9 10.203 3.319 -6.831 75 H VAL 10 H VAL 10 12.278 2.549 -0.877 76 HA VAL 10 HA VAL 10 10.047 1.718 0.563 77 HB VAL 10 HB VAL 10 12.366 3.432 1.478 78 HG11 VAL 10 HG11 VAL 10 10.455 3.624 3.007 79 HG12 VAL 10 HG12 VAL 10 11.792 2.741 3.744 80 HG13 VAL 10 HG13 VAL 10 10.387 1.866 3.133 81 HG21 VAL 10 HG21 VAL 10 11.884 0.460 1.607 82 HG22 VAL 10 HG22 VAL 10 13.231 1.302 2.373 83 HG23 VAL 10 HG23 VAL 10 13.082 1.292 0.616 84 H GLU 11 H GLU 11 11.230 4.848 -0.356 85 HA GLU 11 HA GLU 11 9.422 6.444 1.137 86 HB2 GLU 11 HB3 GLU 11 11.585 7.234 0.183 87 HB3 GLU 11 HB2 GLU 11 10.866 7.166 -1.419 88 HG2 GLU 11 HG3 GLU 11 9.217 8.840 -0.747 89 HG3 GLU 11 HG2 GLU 11 9.950 8.910 0.855 90 H GLU 12 H GLU 12 9.416 5.445 -2.299 91 HA GLU 12 HA GLU 12 7.018 6.786 -2.985 92 HB2 GLU 12 HB3 GLU 12 8.620 5.999 -4.655 93 HB3 GLU 12 HB2 GLU 12 8.299 4.331 -4.206 94 HG2 GLU 12 HG3 GLU 12 7.149 4.795 -6.233 95 HG3 GLU 12 HG2 GLU 12 5.954 4.642 -4.948 96 H LEU 13 H LEU 13 7.561 3.342 -2.469 97 HA LEU 13 HA LEU 13 5.096 2.280 -2.372 98 HB2 LEU 13 HB3 LEU 13 7.374 1.707 -0.490 99 HB3 LEU 13 HB2 LEU 13 5.953 0.692 -0.645 100 HG LEU 13 HG LEU 13 7.869 1.289 -2.899 101 HD11 LEU 13 HD11 LEU 13 8.971 0.002 -1.160 102 HD12 LEU 13 HD12 LEU 13 8.654 -1.004 -2.574 103 HD13 LEU 13 HD13 LEU 13 7.633 -1.147 -1.141 104 HD21 LEU 13 HD21 LEU 13 5.629 0.760 -3.666 105 HD22 LEU 13 HD22 LEU 13 5.598 -0.676 -2.645 106 HD23 LEU 13 HD23 LEU 13 6.722 -0.583 -4.000 107 H LEU 14 H LEU 14 6.579 3.938 0.416 108 HA LEU 14 HA LEU 14 4.530 3.571 2.254 109 HB2 LEU 14 HB3 LEU 14 6.722 5.533 2.007 110 HB3 LEU 14 HB2 LEU 14 5.319 6.124 2.864 111 HG LEU 14 HG LEU 14 7.099 5.162 4.335 112 HD11 LEU 14 HD11 LEU 14 4.757 5.341 5.057 113 HD12 LEU 14 HD12 LEU 14 5.574 3.951 5.769 114 HD13 LEU 14 HD13 LEU 14 4.451 3.721 4.431 115 HD21 LEU 14 HD21 LEU 14 7.824 3.333 2.910 116 HD22 LEU 14 HD22 LEU 14 6.247 2.562 3.072 117 HD23 LEU 14 HD23 LEU 14 7.294 2.732 4.480 118 H SER 15 H SER 15 4.931 6.258 -0.036 119 HA SER 15 HA SER 15 2.577 7.631 0.621 120 HB2 SER 15 HB3 SER 15 4.443 8.552 -0.747 121 HB3 SER 15 HB2 SER 15 3.962 7.496 -2.071 122 HG SER 15 HG SER 15 3.101 9.893 -1.624 123 H LYS 16 H LYS 16 3.211 5.066 -1.717 124 HA LYS 16 HA LYS 16 0.621 4.952 -2.854 125 HB2 LYS 16 HB3 LYS 16 2.902 3.917 -3.623 126 HB3 LYS 16 HB2 LYS 16 2.455 2.573 -2.592 127 HG2 LYS 16 HG3 LYS 16 0.943 3.561 -5.009 128 HG3 LYS 16 HG2 LYS 16 1.904 2.092 -4.890 129 HD2 LYS 16 HD3 LYS 16 0.342 1.339 -3.073 130 HD3 LYS 16 HD2 LYS 16 -0.676 2.718 -3.477 131 HE2 LYS 16 HE3 LYS 16 -1.580 0.872 -4.634 132 HE3 LYS 16 HE2 LYS 16 -0.725 1.826 -5.841 133 HZ1 LYS 16 HZ1 LYS 16 0.445 -0.534 -4.482 134 HZ2 LYS 16 HZ2 LYS 16 1.070 0.291 -5.822 135 HZ3 LYS 16 HZ3 LYS 16 -0.356 -0.612 -5.969 136 H ASN 17 H ASN 17 2.216 3.104 -0.290 137 HA ASN 17 HA ASN 17 0.182 1.279 0.289 138 HB2 ASN 17 HB3 ASN 17 2.580 1.245 1.079 139 HB3 ASN 17 HB2 ASN 17 2.143 2.457 2.274 140 HD21 ASN 17 HD21 ASN 17 3.208 -0.201 2.705 141 HD22 ASN 17 HD22 ASN 17 2.051 -1.045 3.662 142 H TYR 18 H TYR 18 0.905 4.385 1.877 143 HA TYR 18 HA TYR 18 -1.171 4.344 3.735 144 HB2 TYR 18 HB3 TYR 18 0.901 6.036 3.134 145 HB3 TYR 18 HB2 TYR 18 -0.499 7.001 2.682 146 HD1 TYR 18 HD1 TYR 18 -2.313 7.367 4.422 147 HD2 TYR 18 HD2 TYR 18 1.511 5.776 5.372 148 HE1 TYR 18 HE1 TYR 18 -2.670 7.936 6.783 149 HE2 TYR 18 HE2 TYR 18 1.167 6.337 7.733 150 HH TYR 18 HH TYR 18 -0.204 7.977 9.064 151 H HIS 19 H HIS 19 -1.145 5.300 0.359 152 HA HIS 19 HA HIS 19 -3.545 6.747 0.281 153 HB2 HIS 19 HB3 HIS 19 -1.930 6.690 -1.596 154 HB3 HIS 19 HB2 HIS 19 -2.356 5.005 -1.895 155 HD1 HIS 19 HD1 HIS 19 -3.714 4.932 -3.960 156 HD2 HIS 19 HD2 HIS 19 -4.710 8.185 -1.572 157 HE1 HIS 19 HE1 HIS 19 -5.650 6.053 -5.112 158 HE2 HIS 19 HE2 HIS 19 -6.142 8.093 -3.723 159 H LEU 20 H LEU 20 -2.912 3.287 -0.163 160 HA LEU 20 HA LEU 20 -5.629 2.683 -0.774 161 HB2 LEU 20 HB3 LEU 20 -3.286 0.941 -0.049 162 HB3 LEU 20 HB2 LEU 20 -4.888 0.303 -0.312 163 HG LEU 20 HG LEU 20 -3.411 0.060 -2.274 164 HD11 LEU 20 HD11 LEU 20 -5.043 0.721 -3.898 165 HD12 LEU 20 HD12 LEU 20 -5.753 1.876 -2.773 166 HD13 LEU 20 HD13 LEU 20 -5.871 0.148 -2.450 167 HD21 LEU 20 HD21 LEU 20 -3.583 3.060 -2.397 168 HD22 LEU 20 HD22 LEU 20 -2.948 2.012 -3.665 169 HD23 LEU 20 HD23 LEU 20 -2.130 2.103 -2.104 170 H GLU 21 H GLU 21 -3.682 2.653 2.164 171 HA GLU 21 HA GLU 21 -5.502 1.403 3.876 172 HB2 GLU 21 HB3 GLU 21 -3.623 3.693 4.499 173 HB3 GLU 21 HB2 GLU 21 -4.442 2.707 5.700 174 HG2 GLU 21 HG3 GLU 21 -3.250 0.724 4.820 175 HG3 GLU 21 HG2 GLU 21 -2.365 1.786 3.727 176 H ASN 22 H ASN 22 -5.308 4.725 2.718 177 HA ASN 22 HA ASN 22 -7.403 5.792 4.303 178 HB2 ASN 22 HB3 ASN 22 -6.110 6.649 1.725 179 HB3 ASN 22 HB2 ASN 22 -7.507 7.508 2.360 180 HD21 ASN 22 HD21 ASN 22 -5.082 6.069 4.427 181 HD22 ASN 22 HD22 ASN 22 -4.427 7.560 5.001 182 H GLU 23 H GLU 23 -7.324 4.503 0.998 183 HA GLU 23 HA GLU 23 -10.016 4.955 0.368 184 HB2 GLU 23 HB3 GLU 23 -8.275 2.705 -0.654 185 HB3 GLU 23 HB2 GLU 23 -9.718 3.347 -1.430 186 HG2 GLU 23 HG3 GLU 23 -7.097 4.775 -1.027 187 HG3 GLU 23 HG2 GLU 23 -7.744 4.158 -2.546 188 H VAL 24 H VAL 24 -8.421 2.064 1.689 189 HA VAL 24 HA VAL 24 -10.590 0.350 1.800 190 HB VAL 24 HB VAL 24 -8.243 0.567 3.689 191 HG11 VAL 24 HG11 VAL 24 -10.081 -0.557 4.837 192 HG12 VAL 24 HG12 VAL 24 -8.801 -1.701 4.433 193 HG13 VAL 24 HG13 VAL 24 -10.277 -1.653 3.468 194 HG21 VAL 24 HG21 VAL 24 -7.594 0.012 1.449 195 HG22 VAL 24 HG22 VAL 24 -8.850 -1.219 1.343 196 HG23 VAL 24 HG23 VAL 24 -7.489 -1.443 2.438 197 H ALA 25 H ALA 25 -9.427 2.558 4.339 198 HA ALA 25 HA ALA 25 -11.333 1.986 6.283 199 HB1 ALA 25 HB1 ALA 25 -10.720 4.117 7.288 200 HB2 ALA 25 HB2 ALA 25 -9.932 4.606 5.788 201 HB3 ALA 25 HB3 ALA 25 -9.295 3.250 6.718 202 H ARG 26 H ARG 26 -11.429 4.419 3.706 203 HA ARG 26 HA ARG 26 -13.825 5.674 4.473 204 HB2 ARG 26 HB3 ARG 26 -12.122 6.512 2.808 205 HB3 ARG 26 HB2 ARG 26 -12.772 5.353 1.660 206 HG2 ARG 26 HG3 ARG 26 -14.989 6.461 1.899 207 HG3 ARG 26 HG2 ARG 26 -14.202 7.698 2.885 208 HD2 ARG 26 HD2 ARG 26 -13.734 7.043 -0.011 209 HD3 ARG 26 HD1 ARG 26 -14.286 8.565 0.686 210 HE ARG 26 HE ARG 26 -12.021 8.774 1.660 211 HH11 ARG 26 HH11 ARG 26 -12.527 6.757 -1.157 212 HH12 ARG 26 HH12 ARG 26 -10.857 6.785 -1.642 213 HH21 ARG 26 HH21 ARG 26 -9.827 8.829 1.016 214 HH22 ARG 26 HH22 ARG 26 -9.322 7.946 -0.400 215 H LEU 27 H LEU 27 -13.186 3.174 2.032 216 HA LEU 27 HA LEU 27 -15.838 2.757 1.244 217 HB2 LEU 27 HB3 LEU 27 -13.494 0.858 1.222 218 HB3 LEU 27 HB2 LEU 27 -15.007 0.573 0.387 219 HG LEU 27 HG LEU 27 -13.154 2.878 -0.175 220 HD11 LEU 27 HD11 LEU 27 -12.136 0.753 -0.776 221 HD12 LEU 27 HD12 LEU 27 -12.572 1.680 -2.210 222 HD13 LEU 27 HD13 LEU 27 -13.572 0.319 -1.701 223 HD21 LEU 27 HD21 LEU 27 -14.531 3.140 -2.199 224 HD22 LEU 27 HD22 LEU 27 -15.455 3.396 -0.721 225 HD23 LEU 27 HD23 LEU 27 -15.611 1.879 -1.605 226 H LYS 28 H LYS 28 -14.098 1.595 4.019 227 HA LYS 28 HA LYS 28 -15.759 -0.636 4.583 228 HB2 LYS 28 HB3 LYS 28 -13.388 -0.112 5.470 229 HB3 LYS 28 HB2 LYS 28 -14.206 0.905 6.646 230 HG2 LYS 28 HG3 LYS 28 -13.792 -1.199 7.672 231 HG3 LYS 28 HG2 LYS 28 -15.524 -1.091 7.355 232 HD2 LYS 28 HD3 LYS 28 -14.832 -3.288 6.741 233 HD3 LYS 28 HD2 LYS 28 -15.122 -2.388 5.236 234 HE2 LYS 28 HE3 LYS 28 -13.096 -3.610 4.952 235 HE3 LYS 28 HE2 LYS 28 -12.657 -1.917 5.164 236 HZ1 LYS 28 HZ1 LYS 28 -11.223 -3.369 6.442 237 HZ2 LYS 28 HZ2 LYS 28 -12.552 -4.003 7.271 238 HZ3 LYS 28 HZ3 LYS 28 -12.126 -2.378 7.473 239 H LYS 29 H LYS 29 -15.587 2.673 5.906 240 HA LYS 29 HA LYS 29 -17.881 2.529 7.505 241 HB2 LYS 29 HB3 LYS 29 -16.798 4.937 6.028 242 HB3 LYS 29 HB2 LYS 29 -17.877 4.969 7.411 243 HG2 LYS 29 HG3 LYS 29 -16.175 4.171 8.869 244 HG3 LYS 29 HG2 LYS 29 -15.113 3.793 7.512 245 HD2 LYS 29 HD3 LYS 29 -14.271 5.794 8.397 246 HD3 LYS 29 HD2 LYS 29 -15.194 6.283 6.978 247 HE2 LYS 29 HE3 LYS 29 -16.347 6.310 9.758 248 HE3 LYS 29 HE2 LYS 29 -15.486 7.684 9.078 249 HZ1 LYS 29 HZ1 LYS 29 -17.822 7.981 8.768 250 HZ2 LYS 29 HZ2 LYS 29 -17.986 6.474 8.033 251 HZ3 LYS 29 HZ3 LYS 29 -17.126 7.702 7.254 252 H LEU 30 H LEU 30 -17.463 3.195 4.078 253 HA LEU 30 HA LEU 30 -20.095 4.117 3.597 254 HB2 LEU 30 HB3 LEU 30 -18.066 2.912 1.721 255 HB3 LEU 30 HB2 LEU 30 -19.573 3.642 1.206 256 HG LEU 30 HG LEU 30 -17.325 5.071 2.627 257 HD11 LEU 30 HD11 LEU 30 -18.270 5.211 -0.231 258 HD12 LEU 30 HD12 LEU 30 -16.763 4.491 0.335 259 HD13 LEU 30 HD13 LEU 30 -17.026 6.226 0.497 260 HD21 LEU 30 HD21 LEU 30 -18.618 7.104 2.119 261 HD22 LEU 30 HD22 LEU 30 -19.467 6.027 3.225 262 HD23 LEU 30 HD23 LEU 30 -19.940 6.098 1.528 263 H VAL 31 H VAL 31 -18.605 0.928 2.867 264 HA VAL 31 HA VAL 31 -21.031 -0.252 2.058 265 HB VAL 31 HB VAL 31 -18.735 -1.100 1.529 266 HG11 VAL 31 HG11 VAL 31 -17.655 -2.622 3.118 267 HG12 VAL 31 HG12 VAL 31 -18.857 -2.193 4.334 268 HG13 VAL 31 HG13 VAL 31 -17.736 -0.971 3.734 269 HG21 VAL 31 HG21 VAL 31 -19.360 -3.478 1.617 270 HG22 VAL 31 HG22 VAL 31 -20.669 -2.446 1.045 271 HG23 VAL 31 HG23 VAL 31 -20.692 -3.066 2.696 272 H GLY 32 H GLY 32 -19.830 0.462 5.207 273 HA2 GLY 32 HA3 GLY 32 -21.375 -1.558 6.564 274 HA3 GLY 32 HA2 GLY 32 -20.487 -0.239 7.312 275 H GLU 33 H GLU 33 -22.178 1.301 5.058 276 HA GLU 33 HA GLU 33 -24.268 2.074 6.916 277 HB2 GLU 33 HB3 GLU 33 -23.413 3.119 4.211 278 HB3 GLU 33 HB2 GLU 33 -24.810 3.754 5.068 279 HG2 GLU 33 HG3 GLU 33 -22.002 3.738 6.154 280 HG3 GLU 33 HG2 GLU 33 -22.751 5.103 5.325 281 H1 GLY 1 H1 GLY 1 19.982 5.050 5.294 282 H2 GLY 1 H2 GLY 1 20.220 4.946 6.964 283 H3 GLY 1 H3 GLY 1 18.732 5.465 6.355 284 HA2 GLY 1 HA2 GLY 1 18.581 3.189 7.126 285 HA3 GLY 1 HA3 GLY 1 18.323 3.304 5.390 286 H SER 2 H SER 2 18.935 0.890 6.151 287 HA SER 2 HA SER 2 21.807 0.595 5.551 288 HB2 SER 2 HB3 SER 2 20.083 -1.326 7.133 289 HB3 SER 2 HB2 SER 2 21.821 -1.445 6.861 290 HG SER 2 HG SER 2 22.162 0.274 8.178 291 H MET 3 H MET 3 22.383 -1.079 4.098 292 HA MET 3 HA MET 3 20.847 -1.096 1.815 293 HB2 MET 3 HB3 MET 3 23.286 -1.621 1.982 294 HB3 MET 3 HB2 MET 3 22.856 -3.228 2.551 295 HG2 MET 3 HG3 MET 3 23.346 -3.384 0.239 296 HG3 MET 3 HG2 MET 3 21.604 -3.565 0.425 297 HE1 MET 3 HE1 MET 3 21.196 -3.092 -2.154 298 HE2 MET 3 HE2 MET 3 22.940 -2.969 -2.378 299 HE3 MET 3 HE3 MET 3 21.879 -1.710 -3.008 300 H LYS 4 H LYS 4 21.239 -3.886 4.034 301 HA LYS 4 HA LYS 4 19.355 -5.454 2.608 302 HB2 LYS 4 HB3 LYS 4 20.752 -5.770 5.224 303 HB3 LYS 4 HB2 LYS 4 19.377 -6.802 4.864 304 HG2 LYS 4 HG3 LYS 4 21.270 -8.014 4.198 305 HG3 LYS 4 HG2 LYS 4 20.554 -7.403 2.709 306 HD2 LYS 4 HD3 LYS 4 22.862 -7.042 2.475 307 HD3 LYS 4 HD2 LYS 4 22.196 -5.466 2.908 308 HE2 LYS 4 HE3 LYS 4 22.825 -5.878 5.254 309 HE3 LYS 4 HE2 LYS 4 23.543 -7.414 4.775 310 HZ1 LYS 4 HZ1 LYS 4 25.230 -5.728 4.951 311 HZ2 LYS 4 HZ2 LYS 4 24.406 -4.723 3.873 312 HZ3 LYS 4 HZ3 LYS 4 25.066 -6.182 3.331 313 H GLN 5 H GLN 5 19.049 -3.349 5.429 314 HA GLN 5 HA GLN 5 16.437 -4.173 6.114 315 HB2 GLN 5 HB3 GLN 5 17.897 -1.591 6.659 316 HB3 GLN 5 HB2 GLN 5 16.304 -1.958 7.305 317 HG2 GLN 5 HG3 GLN 5 17.318 -4.007 8.348 318 HG3 GLN 5 HG2 GLN 5 18.891 -3.372 7.876 319 HE21 GLN 5 HE21 GLN 5 19.701 -1.548 8.924 320 HE22 GLN 5 HE22 GLN 5 19.029 -0.967 10.405 321 H LEU 6 H LEU 6 17.666 -1.995 3.700 322 HA LEU 6 HA LEU 6 15.172 -0.686 3.199 323 HB2 LEU 6 HB3 LEU 6 17.648 -0.899 1.489 324 HB3 LEU 6 HB2 LEU 6 16.261 0.100 1.115 325 HG LEU 6 HG LEU 6 18.033 0.439 3.534 326 HD11 LEU 6 HD11 LEU 6 19.180 1.019 1.467 327 HD12 LEU 6 HD12 LEU 6 18.805 2.462 2.407 328 HD13 LEU 6 HD13 LEU 6 17.830 2.052 0.996 329 HD21 LEU 6 HD21 LEU 6 16.812 2.565 3.798 330 HD22 LEU 6 HD22 LEU 6 15.771 1.157 3.996 331 HD23 LEU 6 HD23 LEU 6 15.727 2.082 2.495 332 H GLU 7 H GLU 7 16.966 -3.286 1.526 333 HA GLU 7 HA GLU 7 14.971 -3.670 -0.440 334 HB2 GLU 7 HB3 GLU 7 16.099 -5.887 -0.826 335 HB3 GLU 7 HB2 GLU 7 17.139 -4.477 -0.949 336 HG2 GLU 7 HG3 GLU 7 18.084 -4.903 1.205 337 HG3 GLU 7 HG2 GLU 7 16.927 -6.222 1.495 338 H ASP 8 H ASP 8 15.492 -5.166 2.731 339 HA ASP 8 HA ASP 8 13.337 -7.011 2.501 340 HB2 ASP 8 HB3 ASP 8 14.861 -5.898 4.839 341 HB3 ASP 8 HB2 ASP 8 13.424 -6.878 5.098 342 H LYS 9 H LYS 9 13.602 -3.692 3.586 343 HA LYS 9 HA LYS 9 11.003 -3.332 4.577 344 HB2 LYS 9 HB3 LYS 9 13.118 -1.647 4.231 345 HB3 LYS 9 HB2 LYS 9 12.102 -1.144 2.884 346 HG2 LYS 9 HG3 LYS 9 11.449 0.333 4.472 347 HG3 LYS 9 HG2 LYS 9 10.250 -0.917 4.756 348 HD2 LYS 9 HD3 LYS 9 12.802 -0.437 6.306 349 HD3 LYS 9 HD2 LYS 9 11.160 -0.138 6.864 350 HE2 LYS 9 HE3 LYS 9 12.206 -2.862 6.119 351 HE3 LYS 9 HE2 LYS 9 12.245 -2.213 7.754 352 HZ1 LYS 9 HZ1 LYS 9 9.773 -2.586 6.157 353 HZ2 LYS 9 HZ2 LYS 9 9.867 -2.090 7.769 354 HZ3 LYS 9 HZ3 LYS 9 10.330 -3.657 7.342 355 H VAL 10 H VAL 10 12.304 -2.864 1.344 356 HA VAL 10 HA VAL 10 10.043 -2.062 -0.063 357 HB VAL 10 HB VAL 10 12.369 -3.746 -1.014 358 HG11 VAL 10 HG11 VAL 10 10.436 -3.960 -2.512 359 HG12 VAL 10 HG12 VAL 10 11.751 -3.063 -3.270 360 HG13 VAL 10 HG13 VAL 10 10.348 -2.204 -2.641 361 HG21 VAL 10 HG21 VAL 10 11.849 -0.779 -1.137 362 HG22 VAL 10 HG22 VAL 10 13.194 -1.606 -1.922 363 HG23 VAL 10 HG23 VAL 10 13.072 -1.596 -0.163 364 H GLU 11 H GLU 11 11.280 -5.177 0.834 365 HA GLU 11 HA GLU 11 9.469 -6.796 -0.630 366 HB2 GLU 11 HB3 GLU 11 11.656 -7.557 0.298 367 HB3 GLU 11 HB2 GLU 11 10.952 -7.500 1.907 368 HG2 GLU 11 HG3 GLU 11 9.314 -9.191 1.245 369 HG3 GLU 11 HG2 GLU 11 10.040 -9.255 -0.361 370 H GLU 12 H GLU 12 9.496 -5.794 2.803 371 HA GLU 12 HA GLU 12 7.130 -7.172 3.525 372 HB2 GLU 12 HB3 GLU 12 8.748 -6.357 5.171 373 HB3 GLU 12 HB2 GLU 12 8.387 -4.696 4.727 374 HG2 GLU 12 HG3 GLU 12 7.277 -5.185 6.772 375 HG3 GLU 12 HG2 GLU 12 6.060 -5.054 5.505 376 H LEU 13 H LEU 13 7.619 -3.720 2.998 377 HA LEU 13 HA LEU 13 5.139 -2.690 2.935 378 HB2 LEU 13 HB3 LEU 13 7.383 -2.087 1.021 379 HB3 LEU 13 HB2 LEU 13 5.951 -1.092 1.198 380 HG LEU 13 HG LEU 13 7.909 -1.661 3.422 381 HD11 LEU 13 HD11 LEU 13 8.968 -0.363 1.664 382 HD12 LEU 13 HD12 LEU 13 8.660 0.642 3.081 383 HD13 LEU 13 HD13 LEU 13 7.616 0.769 1.667 384 HD21 LEU 13 HD21 LEU 13 5.672 -1.161 4.219 385 HD22 LEU 13 HD22 LEU 13 5.608 0.275 3.197 386 HD23 LEU 13 HD23 LEU 13 6.752 0.196 4.537 387 H LEU 14 H LEU 14 6.608 -4.330 0.127 388 HA LEU 14 HA LEU 14 4.528 -3.995 -1.679 389 HB2 LEU 14 HB3 LEU 14 6.750 -5.925 -1.463 390 HB3 LEU 14 HB2 LEU 14 5.341 -6.537 -2.297 391 HG LEU 14 HG LEU 14 7.086 -5.551 -3.796 392 HD11 LEU 14 HD11 LEU 14 4.739 -5.763 -4.489 393 HD12 LEU 14 HD12 LEU 14 5.526 -4.361 -5.211 394 HD13 LEU 14 HD13 LEU 14 4.416 -4.149 -3.858 395 HD21 LEU 14 HD21 LEU 14 7.805 -3.712 -2.383 396 HD22 LEU 14 HD22 LEU 14 6.215 -2.962 -2.523 397 HD23 LEU 14 HD23 LEU 14 7.245 -3.118 -3.946 398 H SER 15 H SER 15 4.998 -6.678 0.604 399 HA SER 15 HA SER 15 2.648 -8.070 -0.024 400 HB2 SER 15 HB3 SER 15 4.553 -8.969 1.318 401 HB3 SER 15 HB2 SER 15 4.049 -7.942 2.660 402 HG SER 15 HG SER 15 3.250 -10.334 2.254 403 H LYS 16 H LYS 16 3.288 -5.501 2.306 404 HA LYS 16 HA LYS 16 0.712 -5.427 3.483 405 HB2 LYS 16 HB3 LYS 16 2.987 -4.360 4.222 406 HB3 LYS 16 HB2 LYS 16 2.509 -3.024 3.194 407 HG2 LYS 16 HG3 LYS 16 1.043 -4.027 5.633 408 HG3 LYS 16 HG2 LYS 16 1.985 -2.545 5.496 409 HD2 LYS 16 HD3 LYS 16 0.385 -1.818 3.700 410 HD3 LYS 16 HD2 LYS 16 -0.607 -3.211 4.124 411 HE2 LYS 16 HE3 LYS 16 -1.523 -1.378 5.293 412 HE3 LYS 16 HE2 LYS 16 -0.628 -2.319 6.486 413 HZ1 LYS 16 HZ1 LYS 16 0.477 0.061 5.106 414 HZ2 LYS 16 HZ2 LYS 16 1.139 -0.754 6.436 415 HZ3 LYS 16 HZ3 LYS 16 -0.299 0.126 6.609 416 H ASN 17 H ASN 17 2.240 -3.570 0.888 417 HA ASN 17 HA ASN 17 0.178 -1.761 0.349 418 HB2 ASN 17 HB3 ASN 17 2.561 -1.696 -0.477 419 HB3 ASN 17 HB2 ASN 17 2.125 -2.912 -1.665 420 HD21 ASN 17 HD21 ASN 17 3.149 -0.242 -2.116 421 HD22 ASN 17 HD22 ASN 17 1.966 0.584 -3.057 422 H TYR 18 H TYR 18 0.917 -4.858 -1.248 423 HA TYR 18 HA TYR 18 -1.183 -4.841 -3.082 424 HB2 TYR 18 HB3 TYR 18 0.919 -6.503 -2.509 425 HB3 TYR 18 HB2 TYR 18 -0.463 -7.487 -2.038 426 HD1 TYR 18 HD1 TYR 18 -2.295 -7.878 -3.749 427 HD2 TYR 18 HD2 TYR 18 1.492 -6.233 -4.756 428 HE1 TYR 18 HE1 TYR 18 -2.673 -8.463 -6.104 429 HE2 TYR 18 HE2 TYR 18 1.126 -6.808 -7.111 430 HH TYR 18 HH TYR 18 -0.227 -8.466 -8.414 431 H HIS 19 H HIS 19 -1.101 -5.794 0.292 432 HA HIS 19 HA HIS 19 -3.478 -7.278 0.408 433 HB2 HIS 19 HB3 HIS 19 -1.835 -7.189 2.260 434 HB3 HIS 19 HB2 HIS 19 -2.289 -5.511 2.562 435 HD1 HIS 19 HD1 HIS 19 -3.616 -5.465 4.648 436 HD2 HIS 19 HD2 HIS 19 -4.599 -8.732 2.275 437 HE1 HIS 19 HE1 HIS 19 -5.514 -6.613 5.829 438 HE2 HIS 19 HE2 HIS 19 -6.009 -8.657 4.442 439 H LEU 20 H LEU 20 -2.883 -3.811 0.843 440 HA LEU 20 HA LEU 20 -5.596 -3.237 1.490 441 HB2 LEU 20 HB3 LEU 20 -3.284 -1.470 0.735 442 HB3 LEU 20 HB2 LEU 20 -4.890 -0.846 1.002 443 HG LEU 20 HG LEU 20 -3.406 -0.572 2.952 444 HD11 LEU 20 HD11 LEU 20 -5.001 -1.255 4.600 445 HD12 LEU 20 HD12 LEU 20 -5.711 -2.425 3.488 446 HD13 LEU 20 HD13 LEU 20 -5.860 -0.700 3.163 447 HD21 LEU 20 HD21 LEU 20 -3.532 -3.565 3.089 448 HD22 LEU 20 HD22 LEU 20 -2.908 -2.497 4.346 449 HD23 LEU 20 HD23 LEU 20 -2.098 -2.587 2.782 450 H GLU 21 H GLU 21 -3.697 -3.188 -1.482 451 HA GLU 21 HA GLU 21 -5.574 -1.981 -3.166 452 HB2 GLU 21 HB3 GLU 21 -3.656 -4.229 -3.815 453 HB3 GLU 21 HB2 GLU 21 -4.504 -3.255 -5.005 454 HG2 GLU 21 HG3 GLU 21 -3.329 -1.251 -4.136 455 HG3 GLU 21 HG2 GLU 21 -2.418 -2.304 -3.054 456 H ASN 22 H ASN 22 -5.301 -5.288 -2.018 457 HA ASN 22 HA ASN 22 -7.405 -6.384 -3.565 458 HB2 ASN 22 HB3 ASN 22 -6.059 -7.218 -1.009 459 HB3 ASN 22 HB2 ASN 22 -7.457 -8.095 -1.613 460 HD21 ASN 22 HD21 ASN 22 -5.080 -6.631 -3.725 461 HD22 ASN 22 HD22 ASN 22 -4.411 -8.117 -4.303 462 H GLU 23 H GLU 23 -7.298 -5.093 -0.261 463 HA GLU 23 HA GLU 23 -9.974 -5.571 0.409 464 HB2 GLU 23 HB3 GLU 23 -8.236 -3.303 1.395 465 HB3 GLU 23 HB2 GLU 23 -9.662 -3.949 2.194 466 HG2 GLU 23 HG3 GLU 23 -7.045 -5.369 1.760 467 HG3 GLU 23 HG2 GLU 23 -7.664 -4.736 3.284 468 H VAL 24 H VAL 24 -8.429 -2.663 -0.936 469 HA VAL 24 HA VAL 24 -10.620 -0.979 -1.017 470 HB VAL 24 HB VAL 24 -8.303 -1.161 -2.945 471 HG11 VAL 24 HG11 VAL 24 -10.174 -0.061 -4.060 472 HG12 VAL 24 HG12 VAL 24 -8.904 1.101 -3.676 473 HG13 VAL 24 HG13 VAL 24 -10.364 1.030 -2.688 474 HG21 VAL 24 HG21 VAL 24 -7.631 -0.601 -0.707 475 HG22 VAL 24 HG22 VAL 24 -8.896 0.621 -0.592 476 HG23 VAL 24 HG23 VAL 24 -7.549 0.853 -1.703 477 H ALA 25 H ALA 25 -9.466 -3.172 -3.569 478 HA ALA 25 HA ALA 25 -11.407 -2.628 -5.489 479 HB1 ALA 25 HB1 ALA 25 -10.772 -4.751 -6.499 480 HB2 ALA 25 HB2 ALA 25 -9.957 -5.224 -5.009 481 HB3 ALA 25 HB3 ALA 25 -9.353 -3.861 -5.948 482 H ARG 26 H ARG 26 -11.436 -5.056 -2.906 483 HA ARG 26 HA ARG 26 -13.827 -6.342 -3.641 484 HB2 ARG 26 HB3 ARG 26 -12.092 -7.162 -2.000 485 HB3 ARG 26 HB2 ARG 26 -12.736 -6.007 -0.844 486 HG2 ARG 26 HG3 ARG 26 -14.949 -7.144 -1.047 487 HG3 ARG 26 HG2 ARG 26 -14.160 -8.373 -2.040 488 HD2 ARG 26 HD2 ARG 26 -13.660 -7.706 0.848 489 HD3 ARG 26 HD1 ARG 26 -14.198 -9.236 0.160 490 HE ARG 26 HE ARG 26 -11.947 -9.414 -0.848 491 HH11 ARG 26 HH11 ARG 26 -12.436 -7.403 1.977 492 HH12 ARG 26 HH12 ARG 26 -10.757 -7.405 2.430 493 HH21 ARG 26 HH21 ARG 26 -9.734 -9.428 -0.243 494 HH22 ARG 26 HH22 ARG 26 -9.223 -8.538 1.166 495 H LEU 27 H LEU 27 -13.184 -3.830 -1.215 496 HA LEU 27 HA LEU 27 -15.831 -3.452 -0.386 497 HB2 LEU 27 HB3 LEU 27 -13.509 -1.525 -0.396 498 HB3 LEU 27 HB2 LEU 27 -15.014 -1.254 0.458 499 HG LEU 27 HG LEU 27 -13.126 -3.538 0.998 500 HD11 LEU 27 HD11 LEU 27 -12.130 -1.395 1.579 501 HD12 LEU 27 HD12 LEU 27 -12.529 -2.327 3.021 502 HD13 LEU 27 HD13 LEU 27 -13.559 -0.983 2.528 503 HD21 LEU 27 HD21 LEU 27 -14.474 -3.817 3.041 504 HD22 LEU 27 HD22 LEU 27 -15.412 -4.088 1.573 505 HD23 LEU 27 HD23 LEU 27 -15.580 -2.572 2.458 506 H LYS 28 H LYS 28 -14.150 -2.271 -3.189 507 HA LYS 28 HA LYS 28 -15.846 -0.060 -3.727 508 HB2 LYS 28 HB3 LYS 28 -13.482 -0.556 -4.648 509 HB3 LYS 28 HB2 LYS 28 -14.304 -1.584 -5.810 510 HG2 LYS 28 HG3 LYS 28 -13.932 0.523 -6.845 511 HG3 LYS 28 HG2 LYS 28 -15.657 0.392 -6.502 512 HD2 LYS 28 HD3 LYS 28 -14.985 2.599 -5.897 513 HD3 LYS 28 HD2 LYS 28 -15.237 1.696 -4.388 514 HE2 LYS 28 HE3 LYS 28 -13.224 2.940 -4.134 515 HE3 LYS 28 HE2 LYS 28 -12.763 1.258 -4.363 516 HZ1 LYS 28 HZ1 LYS 28 -11.377 2.745 -5.662 517 HZ2 LYS 28 HZ2 LYS 28 -12.734 3.353 -6.466 518 HZ3 LYS 28 HZ3 LYS 28 -12.276 1.738 -6.678 519 H LYS 29 H LYS 29 -15.650 -3.365 -5.056 520 HA LYS 29 HA LYS 29 -17.971 -3.257 -6.616 521 HB2 LYS 29 HB3 LYS 29 -16.830 -5.646 -5.153 522 HB3 LYS 29 HB2 LYS 29 -17.929 -5.697 -6.519 523 HG2 LYS 29 HG3 LYS 29 -16.262 -4.874 -8.005 524 HG3 LYS 29 HG2 LYS 29 -15.184 -4.484 -6.665 525 HD2 LYS 29 HD3 LYS 29 -14.330 -6.473 -7.563 526 HD3 LYS 29 HD2 LYS 29 -15.224 -6.972 -6.131 527 HE2 LYS 29 HE3 LYS 29 -16.425 -7.013 -8.889 528 HE3 LYS 29 HE2 LYS 29 -15.530 -8.376 -8.228 529 HZ1 LYS 29 HZ1 LYS 29 -17.857 -8.706 -7.881 530 HZ2 LYS 29 HZ2 LYS 29 -18.029 -7.204 -7.131 531 HZ3 LYS 29 HZ3 LYS 29 -17.135 -8.426 -6.379 532 H LEU 30 H LEU 30 -17.497 -3.900 -3.192 533 HA LEU 30 HA LEU 30 -20.108 -4.872 -2.680 534 HB2 LEU 30 HB3 LEU 30 -18.071 -3.642 -0.829 535 HB3 LEU 30 HB2 LEU 30 -19.559 -4.396 -0.295 536 HG LEU 30 HG LEU 30 -17.307 -5.787 -1.747 537 HD11 LEU 30 HD11 LEU 30 -18.208 -5.942 1.125 538 HD12 LEU 30 HD12 LEU 30 -16.721 -5.203 0.537 539 HD13 LEU 30 HD13 LEU 30 -16.961 -6.942 0.380 540 HD21 LEU 30 HD21 LEU 30 -18.562 -7.840 -1.221 541 HD22 LEU 30 HD22 LEU 30 -19.439 -6.776 -2.319 542 HD23 LEU 30 HD23 LEU 30 -19.891 -6.851 -0.616 543 H VAL 31 H VAL 31 -18.651 -1.664 -1.977 544 HA VAL 31 HA VAL 31 -21.078 -0.514 -1.129 545 HB VAL 31 HB VAL 31 -18.788 0.365 -0.632 546 HG11 VAL 31 HG11 VAL 31 -17.748 1.898 -2.235 547 HG12 VAL 31 HG12 VAL 31 -18.961 1.455 -3.435 548 HG13 VAL 31 HG13 VAL 31 -17.818 0.246 -2.849 549 HG21 VAL 31 HG21 VAL 31 -19.444 2.734 -0.713 550 HG22 VAL 31 HG22 VAL 31 -20.733 1.684 -0.123 551 HG23 VAL 31 HG23 VAL 31 -20.785 2.303 -1.773 552 H GLY 32 H GLY 32 -19.915 -1.214 -4.295 553 HA2 GLY 32 HA3 GLY 32 -21.507 0.781 -5.628 554 HA3 GLY 32 HA2 GLY 32 -20.612 -0.524 -6.392 555 H GLU 33 H GLU 33 -22.243 -2.090 -4.116 556 HA GLU 33 HA GLU 33 -24.347 -2.888 -5.948 557 HB2 GLU 33 HB3 GLU 33 -23.450 -3.918 -3.248 558 HB3 GLU 33 HB2 GLU 33 -24.848 -4.573 -4.089 559 HG2 GLU 33 HG3 GLU 33 -22.056 -4.522 -5.212 560 HG3 GLU 33 HG2 GLU 33 -22.767 -5.893 -4.364 Start of MODEL 20 1 H1 GLY 1 H1 GLY 1 20.937 -3.655 -7.516 2 H2 GLY 1 H2 GLY 1 19.404 -3.654 -8.226 3 H3 GLY 1 H3 GLY 1 19.557 -3.721 -6.545 4 HA2 GLY 1 HA2 GLY 1 20.356 -1.441 -8.260 5 HA3 GLY 1 HA3 GLY 1 18.908 -1.511 -7.265 6 H SER 2 H SER 2 20.508 0.562 -6.817 7 HA SER 2 HA SER 2 22.486 -0.038 -4.806 8 HB2 SER 2 HB3 SER 2 22.740 2.441 -4.725 9 HB3 SER 2 HB2 SER 2 22.903 1.787 -6.355 10 HG SER 2 HG SER 2 21.510 3.410 -6.648 11 H MET 3 H MET 3 22.397 1.484 -2.784 12 HA MET 3 HA MET 3 20.166 0.812 -1.200 13 HB2 MET 3 HB3 MET 3 22.373 1.339 -0.248 14 HB3 MET 3 HB2 MET 3 22.223 3.000 -0.799 15 HG2 MET 3 HG3 MET 3 20.272 3.288 0.675 16 HG3 MET 3 HG2 MET 3 20.502 1.641 1.261 17 HE1 MET 3 HE1 MET 3 23.674 1.401 1.446 18 HE2 MET 3 HE2 MET 3 22.556 0.842 2.690 19 HE3 MET 3 HE3 MET 3 23.920 1.873 3.128 20 H LYS 4 H LYS 4 21.068 3.733 -2.958 21 HA LYS 4 HA LYS 4 18.971 5.398 -2.168 22 HB2 LYS 4 HB3 LYS 4 20.901 6.258 -3.356 23 HB3 LYS 4 HB2 LYS 4 20.508 5.290 -4.767 24 HG2 LYS 4 HG3 LYS 4 19.888 7.570 -5.169 25 HG3 LYS 4 HG2 LYS 4 18.428 6.588 -5.041 26 HD2 LYS 4 HD3 LYS 4 18.221 7.314 -2.671 27 HD3 LYS 4 HD2 LYS 4 19.594 8.395 -2.925 28 HE2 LYS 4 HE3 LYS 4 16.963 8.475 -4.397 29 HE3 LYS 4 HE2 LYS 4 17.481 9.594 -3.138 30 HZ1 LYS 4 HZ1 LYS 4 18.824 9.228 -5.763 31 HZ2 LYS 4 HZ2 LYS 4 19.273 10.332 -4.564 32 HZ3 LYS 4 HZ3 LYS 4 17.793 10.508 -5.362 33 H GLN 5 H GLN 5 19.182 3.053 -4.808 34 HA GLN 5 HA GLN 5 16.745 3.609 -6.056 35 HB2 GLN 5 HB3 GLN 5 18.556 2.144 -6.957 36 HB3 GLN 5 HB2 GLN 5 18.082 0.907 -5.806 37 HG2 GLN 5 HG3 GLN 5 16.092 2.007 -7.747 38 HG3 GLN 5 HG2 GLN 5 17.249 0.783 -8.253 39 HE21 GLN 5 HE21 GLN 5 17.267 -0.571 -5.681 40 HE22 GLN 5 HE22 GLN 5 15.766 -1.410 -5.566 41 H LEU 6 H LEU 6 17.508 1.458 -3.364 42 HA LEU 6 HA LEU 6 14.833 0.506 -3.060 43 HB2 LEU 6 HB3 LEU 6 17.155 0.469 -1.126 44 HB3 LEU 6 HB2 LEU 6 15.616 -0.314 -0.840 45 HG LEU 6 HG LEU 6 17.490 -1.007 -3.104 46 HD11 LEU 6 HD11 LEU 6 16.931 -2.442 -0.514 47 HD12 LEU 6 HD12 LEU 6 18.419 -1.585 -0.920 48 HD13 LEU 6 HD13 LEU 6 17.954 -3.025 -1.825 49 HD21 LEU 6 HD21 LEU 6 15.178 -1.469 -3.659 50 HD22 LEU 6 HD22 LEU 6 14.945 -2.290 -2.117 51 HD23 LEU 6 HD23 LEU 6 16.026 -2.980 -3.327 52 H GLU 7 H GLU 7 16.656 3.204 -1.772 53 HA GLU 7 HA GLU 7 14.849 3.875 0.287 54 HB2 GLU 7 HB3 GLU 7 17.062 4.779 0.377 55 HB3 GLU 7 HB2 GLU 7 16.903 5.495 -1.220 56 HG2 GLU 7 HG3 GLU 7 15.269 7.076 -0.383 57 HG3 GLU 7 HG2 GLU 7 15.360 6.344 1.235 58 H ASP 8 H ASP 8 15.136 4.945 -3.094 59 HA ASP 8 HA ASP 8 12.986 6.754 -3.081 60 HB2 ASP 8 HB3 ASP 8 14.190 5.063 -5.259 61 HB3 ASP 8 HB2 ASP 8 12.799 6.093 -5.570 62 H LYS 9 H LYS 9 13.099 3.287 -3.246 63 HA LYS 9 HA LYS 9 10.371 2.963 -4.077 64 HB2 LYS 9 HB3 LYS 9 12.643 1.217 -3.427 65 HB3 LYS 9 HB2 LYS 9 11.052 0.566 -3.084 66 HG2 LYS 9 HG3 LYS 9 11.976 1.623 -5.752 67 HG3 LYS 9 HG2 LYS 9 11.863 -0.073 -5.298 68 HD2 LYS 9 HD3 LYS 9 9.458 0.137 -5.001 69 HD3 LYS 9 HD2 LYS 9 9.544 1.855 -5.385 70 HE2 LYS 9 HE3 LYS 9 10.341 1.327 -7.626 71 HE3 LYS 9 HE2 LYS 9 10.294 -0.393 -7.247 72 HZ1 LYS 9 HZ1 LYS 9 7.911 -0.235 -6.955 73 HZ2 LYS 9 HZ2 LYS 9 8.345 0.313 -8.492 74 HZ3 LYS 9 HZ3 LYS 9 7.943 1.429 -7.280 75 H VAL 10 H VAL 10 12.141 2.521 -1.037 76 HA VAL 10 HA VAL 10 10.001 1.542 0.506 77 HB VAL 10 HB VAL 10 12.439 1.583 1.185 78 HG11 VAL 10 HG11 VAL 10 11.804 4.401 2.039 79 HG12 VAL 10 HG12 VAL 10 12.888 3.948 0.725 80 HG13 VAL 10 HG13 VAL 10 13.285 3.511 2.387 81 HG21 VAL 10 HG21 VAL 10 10.420 2.590 3.178 82 HG22 VAL 10 HG22 VAL 10 11.947 1.799 3.570 83 HG23 VAL 10 HG23 VAL 10 10.686 0.910 2.715 84 H GLU 11 H GLU 11 10.906 4.603 -0.655 85 HA GLU 11 HA GLU 11 9.052 6.163 0.933 86 HB2 GLU 11 HB3 GLU 11 10.736 6.785 -1.487 87 HB3 GLU 11 HB2 GLU 11 9.609 7.949 -0.805 88 HG2 GLU 11 HG3 GLU 11 11.841 6.670 0.748 89 HG3 GLU 11 HG2 GLU 11 11.970 8.221 -0.076 90 H GLU 12 H GLU 12 9.215 5.254 -2.519 91 HA GLU 12 HA GLU 12 6.818 6.344 -3.370 92 HB2 GLU 12 HB3 GLU 12 8.573 5.448 -4.839 93 HB3 GLU 12 HB2 GLU 12 8.190 3.819 -4.308 94 HG2 GLU 12 HG3 GLU 12 5.907 4.127 -5.250 95 HG3 GLU 12 HG2 GLU 12 6.456 5.664 -5.922 96 H LEU 13 H LEU 13 7.379 2.928 -2.649 97 HA LEU 13 HA LEU 13 4.818 1.988 -2.652 98 HB2 LEU 13 HB3 LEU 13 7.059 1.167 -0.810 99 HB3 LEU 13 HB2 LEU 13 5.593 0.243 -1.073 100 HG LEU 13 HG LEU 13 7.673 0.868 -3.172 101 HD11 LEU 13 HD11 LEU 13 7.005 -1.690 -1.727 102 HD12 LEU 13 HD12 LEU 13 8.474 -0.733 -1.536 103 HD13 LEU 13 HD13 LEU 13 8.138 -1.537 -3.070 104 HD21 LEU 13 HD21 LEU 13 5.457 0.721 -4.149 105 HD22 LEU 13 HD22 LEU 13 5.163 -0.800 -3.306 106 HD23 LEU 13 HD23 LEU 13 6.399 -0.711 -4.560 107 H LEU 14 H LEU 14 6.521 3.335 0.197 108 HA LEU 14 HA LEU 14 4.462 2.854 2.017 109 HB2 LEU 14 HB3 LEU 14 6.751 3.373 2.698 110 HB3 LEU 14 HB2 LEU 14 6.575 5.008 2.101 111 HG LEU 14 HG LEU 14 4.804 5.399 3.804 112 HD11 LEU 14 HD11 LEU 14 4.029 3.150 4.168 113 HD12 LEU 14 HD12 LEU 14 4.651 3.800 5.683 114 HD13 LEU 14 HD13 LEU 14 5.618 2.657 4.751 115 HD21 LEU 14 HD21 LEU 14 7.476 4.485 4.856 116 HD22 LEU 14 HD22 LEU 14 6.335 5.522 5.713 117 HD23 LEU 14 HD23 LEU 14 7.093 6.087 4.225 118 H SER 15 H SER 15 5.107 5.752 0.025 119 HA SER 15 HA SER 15 2.942 7.228 1.083 120 HB2 SER 15 HB3 SER 15 3.147 8.599 -1.012 121 HB3 SER 15 HB2 SER 15 4.651 8.415 -0.113 122 HG SER 15 HG SER 15 4.611 6.414 -1.789 123 H LYS 16 H LYS 16 3.156 4.748 -1.354 124 HA LYS 16 HA LYS 16 0.479 5.123 -2.298 125 HB2 LYS 16 HB3 LYS 16 2.095 4.052 -3.761 126 HB3 LYS 16 HB2 LYS 16 2.384 2.786 -2.578 127 HG2 LYS 16 HG3 LYS 16 0.109 1.975 -2.866 128 HG3 LYS 16 HG2 LYS 16 -0.217 3.254 -4.034 129 HD2 LYS 16 HD3 LYS 16 1.573 2.354 -5.481 130 HD3 LYS 16 HD2 LYS 16 1.809 1.036 -4.332 131 HE2 LYS 16 HE3 LYS 16 -0.405 0.197 -4.746 132 HE3 LYS 16 HE2 LYS 16 -0.808 1.612 -5.718 133 HZ1 LYS 16 HZ1 LYS 16 -0.291 -0.357 -7.051 134 HZ2 LYS 16 HZ2 LYS 16 1.275 -0.385 -6.412 135 HZ3 LYS 16 HZ3 LYS 16 0.774 0.919 -7.365 136 H ASN 17 H ASN 17 2.063 2.965 0.073 137 HA ASN 17 HA ASN 17 -0.117 1.433 0.839 138 HB2 ASN 17 HB3 ASN 17 2.083 2.592 2.567 139 HB3 ASN 17 HB2 ASN 17 0.896 1.454 3.175 140 HD21 ASN 17 HD21 ASN 17 1.031 -0.749 2.493 141 HD22 ASN 17 HD22 ASN 17 2.458 -1.356 1.732 142 H TYR 18 H TYR 18 0.879 4.588 2.112 143 HA TYR 18 HA TYR 18 -1.113 5.069 3.930 144 HB2 TYR 18 HB3 TYR 18 0.974 6.465 3.036 145 HB3 TYR 18 HB2 TYR 18 -0.292 7.307 2.147 146 HD1 TYR 18 HD1 TYR 18 1.140 6.619 5.412 147 HD2 TYR 18 HD2 TYR 18 -1.994 8.601 3.338 148 HE1 TYR 18 HE1 TYR 18 0.656 7.930 7.419 149 HE2 TYR 18 HE2 TYR 18 -2.487 9.928 5.343 150 HH TYR 18 HH TYR 18 -0.395 10.099 7.999 151 H HIS 19 H HIS 19 -1.158 5.837 0.458 152 HA HIS 19 HA HIS 19 -3.718 6.980 0.392 153 HB2 HIS 19 HB3 HIS 19 -2.116 7.263 -1.435 154 HB3 HIS 19 HB2 HIS 19 -2.200 5.544 -1.798 155 HD1 HIS 19 HD1 HIS 19 -3.562 5.131 -3.811 156 HD2 HIS 19 HD2 HIS 19 -4.989 8.368 -1.633 157 HE1 HIS 19 HE1 HIS 19 -5.570 5.959 -5.071 158 HE2 HIS 19 HE2 HIS 19 -6.316 8.016 -3.821 159 H LEU 20 H LEU 20 -2.646 3.641 -0.134 160 HA LEU 20 HA LEU 20 -5.179 2.635 -0.879 161 HB2 LEU 20 HB3 LEU 20 -2.880 1.144 0.375 162 HB3 LEU 20 HB2 LEU 20 -4.236 0.429 -0.460 163 HG LEU 20 HG LEU 20 -2.329 2.314 -1.822 164 HD11 LEU 20 HD11 LEU 20 -1.258 0.297 -2.747 165 HD12 LEU 20 HD12 LEU 20 -2.203 -0.685 -1.629 166 HD13 LEU 20 HD13 LEU 20 -1.021 0.465 -1.008 167 HD21 LEU 20 HD21 LEU 20 -4.304 0.278 -2.842 168 HD22 LEU 20 HD22 LEU 20 -3.204 1.229 -3.841 169 HD23 LEU 20 HD23 LEU 20 -4.473 2.032 -2.917 170 H GLU 21 H GLU 21 -3.507 2.771 2.264 171 HA GLU 21 HA GLU 21 -5.403 1.345 3.747 172 HB2 GLU 21 HB3 GLU 21 -3.716 3.670 4.707 173 HB3 GLU 21 HB2 GLU 21 -4.521 2.496 5.735 174 HG2 GLU 21 HG3 GLU 21 -3.103 0.726 4.680 175 HG3 GLU 21 HG2 GLU 21 -2.228 2.017 3.857 176 H ASN 22 H ASN 22 -5.266 4.741 2.831 177 HA ASN 22 HA ASN 22 -7.458 5.627 4.372 178 HB2 ASN 22 HB3 ASN 22 -6.240 6.703 1.829 179 HB3 ASN 22 HB2 ASN 22 -7.551 7.511 2.683 180 HD21 ASN 22 HD21 ASN 22 -4.879 8.464 2.147 181 HD22 ASN 22 HD22 ASN 22 -4.165 8.801 3.682 182 H GLU 23 H GLU 23 -7.241 4.556 0.990 183 HA GLU 23 HA GLU 23 -9.936 4.847 0.321 184 HB2 GLU 23 HB3 GLU 23 -7.996 2.747 -0.672 185 HB3 GLU 23 HB2 GLU 23 -9.513 3.183 -1.448 186 HG2 GLU 23 HG3 GLU 23 -7.117 4.971 -1.087 187 HG3 GLU 23 HG2 GLU 23 -7.627 4.192 -2.584 188 H VAL 24 H VAL 24 -8.199 2.066 1.666 189 HA VAL 24 HA VAL 24 -10.264 0.227 1.803 190 HB VAL 24 HB VAL 24 -7.989 0.616 3.763 191 HG11 VAL 24 HG11 VAL 24 -9.785 -0.703 4.765 192 HG12 VAL 24 HG12 VAL 24 -8.374 -1.704 4.425 193 HG13 VAL 24 HG13 VAL 24 -9.784 -1.777 3.367 194 HG21 VAL 24 HG21 VAL 24 -6.937 -1.224 2.514 195 HG22 VAL 24 HG22 VAL 24 -7.217 0.196 1.505 196 HG23 VAL 24 HG23 VAL 24 -8.286 -1.201 1.376 197 H ALA 25 H ALA 25 -9.247 2.623 4.230 198 HA ALA 25 HA ALA 25 -11.091 1.945 6.225 199 HB1 ALA 25 HB1 ALA 25 -10.530 4.070 7.245 200 HB2 ALA 25 HB2 ALA 25 -9.807 4.622 5.734 201 HB3 ALA 25 HB3 ALA 25 -9.082 3.283 6.620 202 H ARG 26 H ARG 26 -11.297 4.495 3.739 203 HA ARG 26 HA ARG 26 -13.759 5.565 4.578 204 HB2 ARG 26 HB3 ARG 26 -12.590 5.473 1.793 205 HB3 ARG 26 HB2 ARG 26 -13.913 6.508 2.305 206 HG2 ARG 26 HG3 ARG 26 -11.145 6.603 3.454 207 HG3 ARG 26 HG2 ARG 26 -11.714 7.643 2.150 208 HD2 ARG 26 HD2 ARG 26 -12.031 8.985 4.006 209 HD3 ARG 26 HD1 ARG 26 -13.620 8.250 3.808 210 HE ARG 26 HE ARG 26 -11.745 6.963 5.643 211 HH11 ARG 26 HH11 ARG 26 -14.586 8.973 5.205 212 HH12 ARG 26 HH12 ARG 26 -15.096 8.828 6.856 213 HH21 ARG 26 HH21 ARG 26 -12.412 6.793 7.826 214 HH22 ARG 26 HH22 ARG 26 -13.864 7.592 8.347 215 H LEU 27 H LEU 27 -13.000 3.202 2.055 216 HA LEU 27 HA LEU 27 -15.650 2.674 1.276 217 HB2 LEU 27 HB3 LEU 27 -13.232 0.870 1.164 218 HB3 LEU 27 HB2 LEU 27 -14.744 0.570 0.335 219 HG LEU 27 HG LEU 27 -12.960 2.941 -0.169 220 HD11 LEU 27 HD11 LEU 27 -12.374 1.831 -2.251 221 HD12 LEU 27 HD12 LEU 27 -13.346 0.434 -1.790 222 HD13 LEU 27 HD13 LEU 27 -11.906 0.853 -0.862 223 HD21 LEU 27 HD21 LEU 27 -15.283 3.422 -0.660 224 HD22 LEU 27 HD22 LEU 27 -15.413 1.937 -1.601 225 HD23 LEU 27 HD23 LEU 27 -14.374 3.247 -2.161 226 H LYS 28 H LYS 28 -13.793 1.493 3.969 227 HA LYS 28 HA LYS 28 -15.306 -0.835 4.515 228 HB2 LYS 28 HB3 LYS 28 -12.991 -0.334 5.371 229 HB3 LYS 28 HB2 LYS 28 -13.714 0.827 6.469 230 HG2 LYS 28 HG3 LYS 28 -13.327 -1.160 7.696 231 HG3 LYS 28 HG2 LYS 28 -15.066 -1.040 7.434 232 HD2 LYS 28 HD3 LYS 28 -14.417 -3.312 7.053 233 HD3 LYS 28 HD2 LYS 28 -14.805 -2.582 5.480 234 HE2 LYS 28 HE3 LYS 28 -12.788 -3.945 5.336 235 HE3 LYS 28 HE2 LYS 28 -12.412 -2.248 5.055 236 HZ1 LYS 28 HZ1 LYS 28 -12.002 -3.693 7.616 237 HZ2 LYS 28 HZ2 LYS 28 -11.598 -2.080 7.315 238 HZ3 LYS 28 HZ3 LYS 28 -10.790 -3.320 6.499 239 H LYS 29 H LYS 29 -15.353 2.459 5.892 240 HA LYS 29 HA LYS 29 -17.564 2.170 7.547 241 HB2 LYS 29 HB3 LYS 29 -16.279 4.160 7.712 242 HB3 LYS 29 HB2 LYS 29 -16.486 4.527 6.007 243 HG2 LYS 29 HG3 LYS 29 -18.848 5.007 6.390 244 HG3 LYS 29 HG2 LYS 29 -18.654 4.628 8.101 245 HD2 LYS 29 HD3 LYS 29 -17.070 6.459 8.344 246 HD3 LYS 29 HD2 LYS 29 -17.210 6.822 6.622 247 HE2 LYS 29 HE3 LYS 29 -18.571 8.332 8.006 248 HE3 LYS 29 HE2 LYS 29 -19.551 7.375 6.897 249 HZ1 LYS 29 HZ1 LYS 29 -20.552 7.460 9.080 250 HZ2 LYS 29 HZ2 LYS 29 -19.159 6.822 9.785 251 HZ3 LYS 29 HZ3 LYS 29 -20.076 5.877 8.730 252 H LEU 30 H LEU 30 -17.428 2.912 4.088 253 HA LEU 30 HA LEU 30 -20.154 3.505 3.746 254 HB2 LEU 30 HB3 LEU 30 -18.173 2.415 1.749 255 HB3 LEU 30 HB2 LEU 30 -19.741 3.085 1.345 256 HG LEU 30 HG LEU 30 -17.453 4.598 2.608 257 HD11 LEU 30 HD11 LEU 30 -17.344 5.771 0.474 258 HD12 LEU 30 HD12 LEU 30 -18.621 4.739 -0.167 259 HD13 LEU 30 HD13 LEU 30 -17.060 4.045 0.263 260 HD21 LEU 30 HD21 LEU 30 -19.597 5.449 3.368 261 HD22 LEU 30 HD22 LEU 30 -20.174 5.536 1.705 262 HD23 LEU 30 HD23 LEU 30 -18.855 6.579 2.235 263 H VAL 31 H VAL 31 -18.394 0.460 3.110 264 HA VAL 31 HA VAL 31 -20.668 -1.067 2.478 265 HB VAL 31 HB VAL 31 -18.046 -2.013 3.653 266 HG11 VAL 31 HG11 VAL 31 -18.581 -4.170 2.659 267 HG12 VAL 31 HG12 VAL 31 -20.128 -3.541 2.094 268 HG13 VAL 31 HG13 VAL 31 -19.818 -3.697 3.823 269 HG21 VAL 31 HG21 VAL 31 -17.417 -2.462 1.320 270 HG22 VAL 31 HG22 VAL 31 -17.702 -0.746 1.614 271 HG23 VAL 31 HG23 VAL 31 -18.921 -1.713 0.783 272 H GLY 32 H GLY 32 -19.300 -0.141 5.570 273 HA2 GLY 32 HA3 GLY 32 -20.379 -2.126 7.210 274 HA3 GLY 32 HA2 GLY 32 -19.995 -0.491 7.721 275 H GLU 33 H GLU 33 -21.791 0.973 6.198 276 HA GLU 33 HA GLU 33 -24.413 -0.104 6.959 277 HB2 GLU 33 HB3 GLU 33 -23.355 2.672 7.564 278 HB3 GLU 33 HB2 GLU 33 -25.055 2.245 7.694 279 HG2 GLU 33 HG3 GLU 33 -24.524 0.609 9.417 280 HG3 GLU 33 HG2 GLU 33 -22.809 0.977 9.253 281 H1 GLY 1 H1 GLY 1 20.966 3.482 7.836 282 H2 GLY 1 H2 GLY 1 19.445 3.475 8.567 283 H3 GLY 1 H3 GLY 1 19.573 3.526 6.885 284 HA2 GLY 1 HA2 GLY 1 20.413 1.275 8.612 285 HA3 GLY 1 HA3 GLY 1 18.955 1.320 7.630 286 H SER 2 H SER 2 20.570 -0.741 7.188 287 HA SER 2 HA SER 2 22.525 -0.139 5.152 288 HB2 SER 2 HB3 SER 2 22.804 -2.617 5.090 289 HB3 SER 2 HB2 SER 2 22.979 -1.945 6.711 290 HG SER 2 HG SER 2 21.611 -3.581 7.035 291 H MET 3 H MET 3 22.434 -1.682 3.147 292 HA MET 3 HA MET 3 20.181 -1.053 1.579 293 HB2 MET 3 HB3 MET 3 22.386 -1.562 0.611 294 HB3 MET 3 HB2 MET 3 22.259 -3.220 1.178 295 HG2 MET 3 HG3 MET 3 20.299 -3.541 -0.271 296 HG3 MET 3 HG2 MET 3 20.499 -1.896 -0.872 297 HE1 MET 3 HE1 MET 3 23.672 -1.625 -1.092 298 HE2 MET 3 HE2 MET 3 22.537 -1.084 -2.329 299 HE3 MET 3 HE3 MET 3 23.905 -2.106 -2.773 300 H LYS 4 H LYS 4 21.139 -3.944 3.353 301 HA LYS 4 HA LYS 4 19.054 -5.642 2.606 302 HB2 LYS 4 HB3 LYS 4 21.001 -6.470 3.785 303 HB3 LYS 4 HB2 LYS 4 20.613 -5.490 5.191 304 HG2 LYS 4 HG3 LYS 4 20.014 -7.772 5.621 305 HG3 LYS 4 HG2 LYS 4 18.547 -6.802 5.493 306 HD2 LYS 4 HD3 LYS 4 18.327 -7.555 3.132 307 HD3 LYS 4 HD2 LYS 4 19.710 -8.622 3.389 308 HE2 LYS 4 HE3 LYS 4 17.095 -8.706 4.889 309 HE3 LYS 4 HE2 LYS 4 17.602 -9.829 3.629 310 HZ1 LYS 4 HZ1 LYS 4 18.976 -9.442 6.233 311 HZ2 LYS 4 HZ2 LYS 4 19.421 -10.545 5.034 312 HZ3 LYS 4 HZ3 LYS 4 17.953 -10.730 5.850 313 H GLN 5 H GLN 5 19.262 -3.266 5.218 314 HA GLN 5 HA GLN 5 16.846 -3.840 6.499 315 HB2 GLN 5 HB3 GLN 5 18.650 -2.340 7.363 316 HB3 GLN 5 HB2 GLN 5 18.146 -1.123 6.205 317 HG2 GLN 5 HG3 GLN 5 16.189 -2.228 8.174 318 HG3 GLN 5 HG2 GLN 5 17.337 -0.986 8.659 319 HE21 GLN 5 HE21 GLN 5 17.312 0.349 6.074 320 HE22 GLN 5 HE22 GLN 5 15.799 1.173 5.976 321 H LEU 6 H LEU 6 17.550 -1.703 3.775 322 HA LEU 6 HA LEU 6 14.862 -0.784 3.492 323 HB2 LEU 6 HB3 LEU 6 17.165 -0.743 1.536 324 HB3 LEU 6 HB2 LEU 6 15.616 0.019 1.254 325 HG LEU 6 HG LEU 6 17.501 0.755 3.496 326 HD11 LEU 6 HD11 LEU 6 16.908 2.166 0.899 327 HD12 LEU 6 HD12 LEU 6 18.407 1.329 1.302 328 HD13 LEU 6 HD13 LEU 6 17.933 2.770 2.201 329 HD21 LEU 6 HD21 LEU 6 15.191 1.199 4.069 330 HD22 LEU 6 HD22 LEU 6 14.933 2.003 2.522 331 HD23 LEU 6 HD23 LEU 6 16.018 2.715 3.715 332 H GLU 7 H GLU 7 16.702 -3.474 2.212 333 HA GLU 7 HA GLU 7 14.888 -4.187 0.178 334 HB2 GLU 7 HB3 GLU 7 17.107 -5.074 0.074 335 HB3 GLU 7 HB2 GLU 7 16.972 -5.774 1.680 336 HG2 GLU 7 HG3 GLU 7 15.347 -7.382 0.878 337 HG3 GLU 7 HG2 GLU 7 15.408 -6.661 -0.747 338 H ASP 8 H ASP 8 15.217 -5.216 3.567 339 HA ASP 8 HA ASP 8 13.086 -7.045 3.589 340 HB2 ASP 8 HB3 ASP 8 14.307 -5.334 5.739 341 HB3 ASP 8 HB2 ASP 8 12.918 -6.360 6.074 342 H LYS 9 H LYS 9 13.164 -3.579 3.721 343 HA LYS 9 HA LYS 9 10.442 -3.282 4.576 344 HB2 LYS 9 HB3 LYS 9 12.686 -1.516 3.885 345 HB3 LYS 9 HB2 LYS 9 11.083 -0.888 3.553 346 HG2 LYS 9 HG3 LYS 9 12.050 -1.904 6.222 347 HG3 LYS 9 HG2 LYS 9 11.910 -0.213 5.751 348 HD2 LYS 9 HD3 LYS 9 9.506 -0.454 5.486 349 HD3 LYS 9 HD2 LYS 9 9.616 -2.168 5.884 350 HE2 LYS 9 HE3 LYS 9 10.431 -1.610 8.114 351 HE3 LYS 9 HE2 LYS 9 10.362 0.105 7.718 352 HZ1 LYS 9 HZ1 LYS 9 7.977 -0.071 7.459 353 HZ2 LYS 9 HZ2 LYS 9 8.433 -0.616 8.992 354 HZ3 LYS 9 HZ3 LYS 9 8.027 -1.734 7.787 355 H VAL 10 H VAL 10 12.172 -2.848 1.514 356 HA VAL 10 HA VAL 10 10.006 -1.911 -0.020 357 HB VAL 10 HB VAL 10 12.441 -1.932 -0.723 358 HG11 VAL 10 HG11 VAL 10 11.829 -4.766 -1.536 359 HG12 VAL 10 HG12 VAL 10 12.918 -4.284 -0.239 360 HG13 VAL 10 HG13 VAL 10 13.297 -3.863 -1.910 361 HG21 VAL 10 HG21 VAL 10 10.412 -2.979 -2.687 362 HG22 VAL 10 HG22 VAL 10 11.926 -2.175 -3.100 363 HG23 VAL 10 HG23 VAL 10 10.665 -1.291 -2.242 364 H GLU 11 H GLU 11 10.961 -4.948 1.166 365 HA GLU 11 HA GLU 11 9.109 -6.548 -0.385 366 HB2 GLU 11 HB3 GLU 11 10.822 -7.123 2.028 367 HB3 GLU 11 HB2 GLU 11 9.709 -8.310 1.365 368 HG2 GLU 11 HG3 GLU 11 11.903 -7.009 -0.224 369 HG3 GLU 11 HG2 GLU 11 12.075 -8.546 0.620 370 H GLU 12 H GLU 12 9.296 -5.601 3.051 371 HA GLU 12 HA GLU 12 6.923 -6.709 3.942 372 HB2 GLU 12 HB3 GLU 12 8.686 -5.776 5.381 373 HB3 GLU 12 HB2 GLU 12 8.272 -4.158 4.839 374 HG2 GLU 12 HG3 GLU 12 6.008 -4.488 5.813 375 HG3 GLU 12 HG2 GLU 12 6.584 -6.014 6.490 376 H LEU 13 H LEU 13 7.436 -3.295 3.174 377 HA LEU 13 HA LEU 13 4.863 -2.384 3.197 378 HB2 LEU 13 HB3 LEU 13 7.077 -1.558 1.325 379 HB3 LEU 13 HB2 LEU 13 5.603 -0.647 1.590 380 HG LEU 13 HG LEU 13 7.710 -1.227 3.676 381 HD11 LEU 13 HD11 LEU 13 7.000 1.310 2.213 382 HD12 LEU 13 HD12 LEU 13 8.476 0.366 2.017 383 HD13 LEU 13 HD13 LEU 13 8.148 1.181 3.545 384 HD21 LEU 13 HD21 LEU 13 5.505 -1.093 4.675 385 HD22 LEU 13 HD22 LEU 13 5.183 0.414 3.817 386 HD23 LEU 13 HD23 LEU 13 6.434 0.355 5.058 387 H LEU 14 H LEU 14 6.553 -3.737 0.344 388 HA LEU 14 HA LEU 14 4.470 -3.303 -1.459 389 HB2 LEU 14 HB3 LEU 14 6.757 -3.801 -2.157 390 HB3 LEU 14 HB2 LEU 14 6.608 -5.432 -1.541 391 HG LEU 14 HG LEU 14 4.823 -5.858 -3.222 392 HD11 LEU 14 HD11 LEU 14 4.021 -3.622 -3.600 393 HD12 LEU 14 HD12 LEU 14 4.636 -4.278 -5.116 394 HD13 LEU 14 HD13 LEU 14 5.600 -3.119 -4.204 395 HD21 LEU 14 HD21 LEU 14 7.477 -4.933 -4.308 396 HD22 LEU 14 HD22 LEU 14 6.338 -5.988 -5.145 397 HD23 LEU 14 HD23 LEU 14 7.115 -6.531 -3.657 398 H SER 15 H SER 15 5.171 -6.174 0.552 399 HA SER 15 HA SER 15 3.010 -7.683 -0.467 400 HB2 SER 15 HB3 SER 15 3.253 -9.026 1.645 401 HB3 SER 15 HB2 SER 15 4.740 -8.843 0.718 402 HG SER 15 HG SER 15 4.700 -6.817 2.368 403 H LYS 16 H LYS 16 3.220 -5.172 1.940 404 HA LYS 16 HA LYS 16 0.557 -5.570 2.919 405 HB2 LYS 16 HB3 LYS 16 2.175 -4.465 4.357 406 HB3 LYS 16 HB2 LYS 16 2.436 -3.208 3.157 407 HG2 LYS 16 HG3 LYS 16 0.156 -2.420 3.462 408 HG3 LYS 16 HG2 LYS 16 -0.143 -3.690 4.645 409 HD2 LYS 16 HD3 LYS 16 1.652 -2.755 6.065 410 HD3 LYS 16 HD2 LYS 16 1.861 -1.446 4.901 411 HE2 LYS 16 HE3 LYS 16 -0.356 -0.626 5.329 412 HE3 LYS 16 HE2 LYS 16 -0.737 -2.036 6.316 413 HZ1 LYS 16 HZ1 LYS 16 -0.228 -0.040 7.625 414 HZ2 LYS 16 HZ2 LYS 16 1.333 -0.017 6.980 415 HZ3 LYS 16 HZ3 LYS 16 0.842 -1.310 7.950 416 H ASN 17 H ASN 17 2.091 -3.419 0.512 417 HA ASN 17 HA ASN 17 -0.114 -1.919 -0.246 418 HB2 ASN 17 HB3 ASN 17 2.082 -3.070 -1.986 419 HB3 ASN 17 HB2 ASN 17 0.874 -1.951 -2.594 420 HD21 ASN 17 HD21 ASN 17 0.992 0.260 -1.937 421 HD22 ASN 17 HD22 ASN 17 2.418 0.891 -1.193 422 H TYR 18 H TYR 18 0.906 -5.071 -1.508 423 HA TYR 18 HA TYR 18 -1.099 -5.594 -3.294 424 HB2 TYR 18 HB3 TYR 18 1.011 -6.961 -2.409 425 HB3 TYR 18 HB2 TYR 18 -0.236 -7.804 -1.498 426 HD1 TYR 18 HD1 TYR 18 1.154 -7.139 -4.778 427 HD2 TYR 18 HD2 TYR 18 -1.938 -9.126 -2.660 428 HE1 TYR 18 HE1 TYR 18 0.666 -8.472 -6.769 429 HE2 TYR 18 HE2 TYR 18 -2.440 -10.477 -4.647 430 HH TYR 18 HH TYR 18 -0.378 -10.678 -7.303 431 H HIS 19 H HIS 19 -1.102 -6.330 0.183 432 HA HIS 19 HA HIS 19 -3.648 -7.499 0.292 433 HB2 HIS 19 HB3 HIS 19 -2.024 -7.747 2.104 434 HB3 HIS 19 HB2 HIS 19 -2.120 -6.026 2.452 435 HD1 HIS 19 HD1 HIS 19 -3.468 -5.606 4.476 436 HD2 HIS 19 HD2 HIS 19 -4.874 -8.888 2.349 437 HE1 HIS 19 HE1 HIS 19 -5.454 -6.445 5.766 438 HE2 HIS 19 HE2 HIS 19 -6.190 -8.525 4.548 439 H LEU 20 H LEU 20 -2.608 -4.144 0.766 440 HA LEU 20 HA LEU 20 -5.142 -3.158 1.535 441 HB2 LEU 20 HB3 LEU 20 -2.872 -1.658 0.235 442 HB3 LEU 20 HB2 LEU 20 -4.226 -0.946 1.081 443 HG LEU 20 HG LEU 20 -2.286 -2.803 2.437 444 HD11 LEU 20 HD11 LEU 20 -1.223 -0.766 3.333 445 HD12 LEU 20 HD12 LEU 20 -2.191 0.196 2.217 446 HD13 LEU 20 HD13 LEU 20 -1.005 -0.946 1.593 447 HD21 LEU 20 HD21 LEU 20 -4.272 -0.775 3.455 448 HD22 LEU 20 HD22 LEU 20 -3.153 -1.701 4.455 449 HD23 LEU 20 HD23 LEU 20 -4.421 -2.529 3.553 450 H GLU 21 H GLU 21 -3.502 -3.305 -1.621 451 HA GLU 21 HA GLU 21 -5.427 -1.914 -3.099 452 HB2 GLU 21 HB3 GLU 21 -3.724 -4.230 -4.053 453 HB3 GLU 21 HB2 GLU 21 -4.551 -3.075 -5.084 454 HG2 GLU 21 HG3 GLU 21 -3.138 -1.279 -4.061 455 HG3 GLU 21 HG2 GLU 21 -2.238 -2.557 -3.242 456 H ASN 22 H ASN 22 -5.245 -5.301 -2.151 457 HA ASN 22 HA ASN 22 -7.438 -6.232 -3.667 458 HB2 ASN 22 HB3 ASN 22 -6.186 -7.262 -1.121 459 HB3 ASN 22 HB2 ASN 22 -7.498 -8.092 -1.949 460 HD21 ASN 22 HD21 ASN 22 -4.812 -9.016 -1.428 461 HD22 ASN 22 HD22 ASN 22 -4.109 -9.369 -2.965 462 H GLU 23 H GLU 23 -7.200 -5.118 -0.301 463 HA GLU 23 HA GLU 23 -9.885 -5.437 0.402 464 HB2 GLU 23 HB3 GLU 23 -7.953 -3.312 1.351 465 HB3 GLU 23 HB2 GLU 23 -9.458 -3.752 2.146 466 HG2 GLU 23 HG3 GLU 23 -7.054 -5.527 1.780 467 HG3 GLU 23 HG2 GLU 23 -7.557 -4.739 3.274 468 H VAL 24 H VAL 24 -8.193 -2.650 -0.989 469 HA VAL 24 HA VAL 24 -10.281 -0.833 -1.119 470 HB VAL 24 HB VAL 24 -8.024 -1.218 -3.099 471 HG11 VAL 24 HG11 VAL 24 -9.844 0.069 -4.098 472 HG12 VAL 24 HG12 VAL 24 -8.445 1.093 -3.780 473 HG13 VAL 24 HG13 VAL 24 -9.844 1.158 -2.710 474 HG21 VAL 24 HG21 VAL 24 -6.980 0.644 -1.875 475 HG22 VAL 24 HG22 VAL 24 -7.235 -0.771 -0.854 476 HG23 VAL 24 HG23 VAL 24 -8.316 0.617 -0.725 477 H ALA 25 H ALA 25 -9.261 -3.237 -3.537 478 HA ALA 25 HA ALA 25 -11.136 -2.600 -5.518 479 HB1 ALA 25 HB1 ALA 25 -10.560 -4.731 -6.521 480 HB2 ALA 25 HB2 ALA 25 -9.811 -5.256 -5.014 481 HB3 ALA 25 HB3 ALA 25 -9.115 -3.916 -5.924 482 H ARG 26 H ARG 26 -11.284 -5.131 -3.004 483 HA ARG 26 HA ARG 26 -13.742 -6.239 -3.807 484 HB2 ARG 26 HB3 ARG 26 -12.548 -6.104 -1.033 485 HB3 ARG 26 HB2 ARG 26 -13.865 -7.158 -1.522 486 HG2 ARG 26 HG3 ARG 26 -11.106 -7.239 -2.696 487 HG3 ARG 26 HG2 ARG 26 -11.654 -8.268 -1.375 488 HD2 ARG 26 HD2 ARG 26 -11.972 -9.636 -3.212 489 HD3 ARG 26 HD1 ARG 26 -13.566 -8.914 -3.007 490 HE ARG 26 HE ARG 26 -11.726 -7.629 -4.874 491 HH11 ARG 26 HH11 ARG 26 -14.528 -9.673 -4.380 492 HH12 ARG 26 HH12 ARG 26 -15.064 -9.558 -6.026 493 HH21 ARG 26 HH21 ARG 26 -12.420 -7.491 -7.053 494 HH22 ARG 26 HH22 ARG 26 -13.865 -8.319 -7.545 495 H LEU 27 H LEU 27 -12.986 -3.845 -1.310 496 HA LEU 27 HA LEU 27 -15.634 -3.336 -0.513 497 HB2 LEU 27 HB3 LEU 27 -13.237 -1.502 -0.442 498 HB3 LEU 27 HB2 LEU 27 -14.743 -1.215 0.401 499 HG LEU 27 HG LEU 27 -12.926 -3.562 0.904 500 HD11 LEU 27 HD11 LEU 27 -12.331 -2.427 2.971 501 HD12 LEU 27 HD12 LEU 27 -13.324 -1.045 2.507 502 HD13 LEU 27 HD13 LEU 27 -11.888 -1.456 1.569 503 HD21 LEU 27 HD21 LEU 27 -15.237 -4.065 1.425 504 HD22 LEU 27 HD22 LEU 27 -15.375 -2.573 2.354 505 HD23 LEU 27 HD23 LEU 27 -14.314 -3.865 2.915 506 H LYS 28 H LYS 28 -13.818 -2.166 -3.237 507 HA LYS 28 HA LYS 28 -15.360 0.139 -3.790 508 HB2 LYS 28 HB3 LYS 28 -13.050 -0.348 -4.667 509 HB3 LYS 28 HB2 LYS 28 -13.775 -1.526 -5.750 510 HG2 LYS 28 HG3 LYS 28 -13.421 0.460 -6.991 511 HG3 LYS 28 HG2 LYS 28 -15.155 0.319 -6.709 512 HD2 LYS 28 HD3 LYS 28 -14.536 2.601 -6.350 513 HD3 LYS 28 HD2 LYS 28 -14.889 1.880 -4.766 514 HE2 LYS 28 HE3 LYS 28 -12.889 3.275 -4.677 515 HE3 LYS 28 HE2 LYS 28 -12.484 1.588 -4.371 516 HZ1 LYS 28 HZ1 LYS 28 -12.140 3.002 -6.961 517 HZ2 LYS 28 HZ2 LYS 28 -11.722 1.394 -6.649 518 HZ3 LYS 28 HZ3 LYS 28 -10.904 2.646 -5.865 519 H LYS 29 H LYS 29 -15.387 -3.169 -5.132 520 HA LYS 29 HA LYS 29 -17.619 -2.916 -6.766 521 HB2 LYS 29 HB3 LYS 29 -16.316 -4.894 -6.927 522 HB3 LYS 29 HB2 LYS 29 -16.500 -5.249 -5.218 523 HG2 LYS 29 HG3 LYS 29 -18.865 -5.755 -5.575 524 HG3 LYS 29 HG2 LYS 29 -18.688 -5.393 -7.291 525 HD2 LYS 29 HD3 LYS 29 -17.086 -7.206 -7.527 526 HD3 LYS 29 HD2 LYS 29 -17.203 -7.553 -5.802 527 HE2 LYS 29 HE3 LYS 29 -18.557 -9.094 -7.149 528 HE3 LYS 29 HE2 LYS 29 -19.542 -8.136 -6.048 529 HZ1 LYS 29 HZ1 LYS 29 -20.562 -8.261 -8.218 530 HZ2 LYS 29 HZ2 LYS 29 -19.177 -7.630 -8.952 531 HZ3 LYS 29 HZ3 LYS 29 -20.091 -6.668 -7.905 532 H LEU 30 H LEU 30 -17.438 -3.630 -3.300 533 HA LEU 30 HA LEU 30 -20.155 -4.245 -2.926 534 HB2 LEU 30 HB3 LEU 30 -18.166 -3.112 -0.962 535 HB3 LEU 30 HB2 LEU 30 -19.723 -3.797 -0.536 536 HG LEU 30 HG LEU 30 -17.430 -5.295 -1.807 537 HD11 LEU 30 HD11 LEU 30 -17.290 -6.445 0.337 538 HD12 LEU 30 HD12 LEU 30 -18.571 -5.421 0.978 539 HD13 LEU 30 HD13 LEU 30 -17.022 -4.714 0.526 540 HD21 LEU 30 HD21 LEU 30 -19.570 -6.177 -2.541 541 HD22 LEU 30 HD22 LEU 30 -20.132 -6.256 -0.871 542 HD23 LEU 30 HD23 LEU 30 -18.805 -7.288 -1.406 543 H VAL 31 H VAL 31 -18.421 -1.176 -2.337 544 HA VAL 31 HA VAL 31 -20.705 0.333 -1.698 545 HB VAL 31 HB VAL 31 -18.105 1.293 -2.908 546 HG11 VAL 31 HG11 VAL 31 -18.650 3.454 -1.931 547 HG12 VAL 31 HG12 VAL 31 -20.186 2.815 -1.346 548 HG13 VAL 31 HG13 VAL 31 -19.893 2.958 -3.079 549 HG21 VAL 31 HG21 VAL 31 -17.461 1.774 -0.588 550 HG22 VAL 31 HG22 VAL 31 -17.731 0.052 -0.861 551 HG23 VAL 31 HG23 VAL 31 -18.952 1.016 -0.031 552 H GLY 32 H GLY 32 -19.358 -0.601 -4.799 553 HA2 GLY 32 HA3 GLY 32 -20.478 1.352 -6.452 554 HA3 GLY 32 HA2 GLY 32 -20.089 -0.289 -6.945 555 H GLU 33 H GLU 33 -21.844 -1.750 -5.401 556 HA GLU 33 HA GLU 33 -24.492 -0.711 -6.126 557 HB2 GLU 33 HB3 GLU 33 -23.406 -3.474 -6.737 558 HB3 GLU 33 HB2 GLU 33 -25.111 -3.068 -6.849 559 HG2 GLU 33 HG3 GLU 33 -24.615 -1.435 -8.587 560 HG3 GLU 33 HG2 GLU 33 -22.895 -1.792 -8.442
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