NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522904 | 2l7z | 16252 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -22.484 0.385 9.388 2 H SER 2 H SER 2 -23.714 1.859 10.828 3 HA SER 2 HA SER 2 -25.596 0.266 12.439 4 HB2 SER 2 HB2 SER 2 -23.742 1.002 14.028 5 HB3 SER 2 HB3 SER 2 -24.167 2.685 13.659 6 HG SER 2 HG SER 2 -25.304 1.362 15.463 7 H HIS 3 H HIS 3 -25.881 3.284 13.584 8 HA HIS 3 HA HIS 3 -27.387 5.022 13.154 9 HB2 HIS 3 HB2 HIS 3 -27.131 4.412 10.195 10 HB3 HIS 3 HB3 HIS 3 -27.221 5.982 10.988 11 HD1 HIS 3 HD1 HIS 3 -24.912 5.323 9.156 12 HD2 HIS 3 HD2 HIS 3 -24.700 4.827 13.173 13 HE1 HIS 3 HE1 HIS 3 -22.544 5.370 9.656 14 H MET 4 H MET 4 -29.483 5.507 11.954 15 HA MET 4 HA MET 4 -31.335 3.419 12.488 16 HB2 MET 4 HB2 MET 4 -31.689 5.757 10.546 17 HB3 MET 4 HB3 MET 4 -32.972 4.894 11.386 18 HG2 MET 4 HG2 MET 4 -31.407 5.617 13.482 19 HG3 MET 4 HG3 MET 4 -31.078 6.939 12.394 20 HE1 MET 4 HE1 MET 4 -34.222 7.937 11.207 21 HE2 MET 4 HE2 MET 4 -32.488 8.238 11.320 22 HE3 MET 4 HE3 MET 4 -33.616 9.205 12.272 23 H LEU 5 H LEU 5 -33.014 2.984 10.507 24 HA LEU 5 HA LEU 5 -31.421 1.315 8.691 25 HB2 LEU 5 HB2 LEU 5 -33.927 0.823 7.845 26 HB3 LEU 5 HB3 LEU 5 -33.343 0.120 9.343 27 HG LEU 5 HG LEU 5 -35.640 1.232 9.469 28 HD11 LEU 5 HD11 LEU 5 -35.105 1.188 11.654 29 HD12 LEU 5 HD12 LEU 5 -34.390 2.787 11.485 30 HD13 LEU 5 HD13 LEU 5 -33.396 1.348 11.274 31 HD21 LEU 5 HD21 LEU 5 -34.743 3.225 8.048 32 HD22 LEU 5 HD22 LEU 5 -34.120 3.836 9.572 33 HD23 LEU 5 HD23 LEU 5 -35.846 3.573 9.367 34 H GLU 6 H GLU 6 -32.377 1.218 6.347 35 HA GLU 6 HA GLU 6 -32.671 2.306 4.288 36 HB2 GLU 6 HB2 GLU 6 -34.373 3.638 5.948 37 HB3 GLU 6 HB3 GLU 6 -33.251 4.946 5.608 38 HG2 GLU 6 HG2 GLU 6 -34.934 5.071 3.906 39 HG3 GLU 6 HG3 GLU 6 -33.527 4.345 3.132 40 H GLY 7 H GLY 7 -31.286 3.354 2.929 41 HA2 GLY 7 HA2 GLY 7 -29.302 5.236 4.095 42 HA3 GLY 7 HA3 GLY 7 -28.689 3.797 3.290 43 H ARG 8 H ARG 8 -30.378 3.585 1.134 44 HA ARG 8 HA ARG 8 -30.438 4.359 -1.085 45 HB2 ARG 8 HB2 ARG 8 -32.233 5.716 0.196 46 HB3 ARG 8 HB3 ARG 8 -31.063 7.030 0.258 47 HG2 ARG 8 HG2 ARG 8 -30.865 6.754 -2.295 48 HG3 ARG 8 HG3 ARG 8 -32.317 5.764 -2.189 49 HD2 ARG 8 HD2 ARG 8 -33.428 7.750 -2.379 50 HD3 ARG 8 HD3 ARG 8 -33.022 7.956 -0.676 51 HE ARG 8 HE ARG 8 -30.858 8.870 -2.353 52 HH11 ARG 8 HH11 ARG 8 -33.812 9.857 -3.060 53 HH12 ARG 8 HH12 ARG 8 -33.733 11.445 -2.372 54 HH21 ARG 8 HH21 ARG 8 -30.768 10.762 -0.632 55 HH22 ARG 8 HH22 ARG 8 -31.964 11.971 -0.960 56 H LYS 9 H LYS 9 -28.122 4.142 -1.305 57 HA LYS 9 HA LYS 9 -26.909 6.683 -2.106 58 HB2 LYS 9 HB2 LYS 9 -24.901 6.359 -0.614 59 HB3 LYS 9 HB3 LYS 9 -26.369 6.622 0.320 60 HG2 LYS 9 HG2 LYS 9 -25.659 4.734 1.420 61 HG3 LYS 9 HG3 LYS 9 -26.467 3.925 0.082 62 HD2 LYS 9 HD2 LYS 9 -24.054 4.380 -1.063 63 HD3 LYS 9 HD3 LYS 9 -23.558 4.248 0.620 64 HE2 LYS 9 HE2 LYS 9 -23.497 2.008 -0.031 65 HE3 LYS 9 HE3 LYS 9 -25.135 2.124 0.602 66 HZ1 LYS 9 HZ1 LYS 9 -26.007 1.800 -1.400 67 HZ2 LYS 9 HZ2 LYS 9 -24.469 1.246 -1.858 68 HZ3 LYS 9 HZ3 LYS 9 -24.919 2.854 -2.167 69 H LYS 10 H LYS 10 -24.516 6.202 -2.784 70 HA LYS 10 HA LYS 10 -24.182 3.428 -3.750 71 HB2 LYS 10 HB2 LYS 10 -23.644 4.606 -6.096 72 HB3 LYS 10 HB3 LYS 10 -25.301 4.184 -5.680 73 HG2 LYS 10 HG2 LYS 10 -25.752 6.446 -4.928 74 HG3 LYS 10 HG3 LYS 10 -24.059 6.892 -5.105 75 HD2 LYS 10 HD2 LYS 10 -24.235 6.378 -7.555 76 HD3 LYS 10 HD3 LYS 10 -25.957 6.092 -7.335 77 HE2 LYS 10 HE2 LYS 10 -26.425 8.331 -6.999 78 HE3 LYS 10 HE3 LYS 10 -24.854 8.658 -6.276 79 HZ1 LYS 10 HZ1 LYS 10 -25.139 9.660 -8.484 80 HZ2 LYS 10 HZ2 LYS 10 -25.292 8.108 -9.156 81 HZ3 LYS 10 HZ3 LYS 10 -23.835 8.574 -8.420 82 H ARG 11 H ARG 11 -22.582 5.952 -5.452 83 HA ARG 11 HA ARG 11 -19.989 5.020 -4.582 84 HB2 ARG 11 HB2 ARG 11 -20.852 7.545 -6.082 85 HB3 ARG 11 HB3 ARG 11 -19.180 7.022 -5.910 86 HG2 ARG 11 HG2 ARG 11 -19.613 4.985 -7.136 87 HG3 ARG 11 HG3 ARG 11 -21.347 5.277 -7.117 88 HD2 ARG 11 HD2 ARG 11 -21.219 6.961 -8.729 89 HD3 ARG 11 HD3 ARG 11 -19.549 7.360 -8.325 90 HE ARG 11 HE ARG 11 -20.392 5.366 -10.255 91 HH11 ARG 11 HH11 ARG 11 -17.897 6.863 -10.550 92 HH12 ARG 11 HH12 ARG 11 -16.676 5.708 -10.129 93 HH21 ARG 11 HH21 ARG 11 -18.958 3.570 -8.548 94 HH22 ARG 11 HH22 ARG 11 -17.292 3.795 -8.966 95 H VAL 12 H VAL 12 -18.743 5.688 -2.944 96 HA VAL 12 HA VAL 12 -19.740 7.958 -1.299 97 HB VAL 12 HB VAL 12 -18.459 6.923 0.537 98 HG11 VAL 12 HG11 VAL 12 -19.745 4.618 -0.933 99 HG12 VAL 12 HG12 VAL 12 -20.720 5.945 -0.309 100 HG13 VAL 12 HG13 VAL 12 -19.762 4.963 0.794 101 HG21 VAL 12 HG21 VAL 12 -17.398 4.589 -0.193 102 HG22 VAL 12 HG22 VAL 12 -16.477 6.082 -0.348 103 HG23 VAL 12 HG23 VAL 12 -17.278 5.391 -1.757 104 HA PRO 13 HA PRO 13 -16.353 10.535 -2.389 105 HB2 PRO 13 HB2 PRO 13 -15.947 11.557 0.293 106 HB3 PRO 13 HB3 PRO 13 -16.815 12.339 -1.027 107 HG2 PRO 13 HG2 PRO 13 -17.928 11.066 1.349 108 HG3 PRO 13 HG3 PRO 13 -18.789 11.947 0.086 109 HD2 PRO 13 HD2 PRO 13 -18.796 9.114 0.525 110 HD3 PRO 13 HD3 PRO 13 -19.541 9.998 -0.820 111 H TYR 14 H TYR 14 -14.332 11.370 -0.539 112 HA TYR 14 HA TYR 14 -12.747 8.856 -0.438 113 HB2 TYR 14 HB2 TYR 14 -12.172 11.515 -1.252 114 HB3 TYR 14 HB3 TYR 14 -11.301 11.307 0.266 115 HD1 TYR 14 HD1 TYR 14 -11.807 9.846 -3.105 116 HD2 TYR 14 HD2 TYR 14 -9.378 9.877 0.385 117 HE1 TYR 14 HE1 TYR 14 -10.124 8.496 -4.267 118 HE2 TYR 14 HE2 TYR 14 -7.694 8.524 -0.777 119 HH TYR 14 HH TYR 14 -7.978 7.769 -4.197 120 H THR 15 H THR 15 -12.512 11.793 1.542 121 HA THR 15 HA THR 15 -12.991 10.120 3.967 122 HB THR 15 HB THR 15 -10.892 12.170 4.372 123 HG1 THR 15 HG1 THR 15 -9.461 10.685 3.060 124 HG21 THR 15 HG21 THR 15 -9.720 10.288 5.368 125 HG22 THR 15 HG22 THR 15 -10.598 9.127 4.378 126 HG23 THR 15 HG23 THR 15 -11.415 9.946 5.707 127 H LYS 16 H LYS 16 -13.450 11.430 5.877 128 HA LYS 16 HA LYS 16 -15.282 13.570 5.199 129 HB2 LYS 16 HB2 LYS 16 -15.292 13.773 7.821 130 HB3 LYS 16 HB3 LYS 16 -15.896 12.279 7.111 131 HG2 LYS 16 HG2 LYS 16 -13.962 11.077 7.676 132 HG3 LYS 16 HG3 LYS 16 -12.974 12.529 7.782 133 HD2 LYS 16 HD2 LYS 16 -13.341 11.857 10.043 134 HD3 LYS 16 HD3 LYS 16 -14.443 13.203 9.776 135 HE2 LYS 16 HE2 LYS 16 -15.726 11.478 10.853 136 HE3 LYS 16 HE3 LYS 16 -16.218 11.482 9.164 137 HZ1 LYS 16 HZ1 LYS 16 -14.483 9.561 10.572 138 HZ2 LYS 16 HZ2 LYS 16 -14.422 9.714 8.882 139 HZ3 LYS 16 HZ3 LYS 16 -15.872 9.263 9.642 140 H VAL 17 H VAL 17 -11.968 13.442 6.302 141 HA VAL 17 HA VAL 17 -11.986 16.318 6.986 142 HB VAL 17 HB VAL 17 -9.370 15.696 7.107 143 HG11 VAL 17 HG11 VAL 17 -9.681 15.093 9.432 144 HG12 VAL 17 HG12 VAL 17 -11.316 14.520 9.115 145 HG13 VAL 17 HG13 VAL 17 -10.950 16.240 9.011 146 HG21 VAL 17 HG21 VAL 17 -10.340 12.993 7.831 147 HG22 VAL 17 HG22 VAL 17 -8.829 13.474 7.065 148 HG23 VAL 17 HG23 VAL 17 -10.297 13.338 6.109 149 H GLN 18 H GLN 18 -11.628 14.292 4.408 150 HA GLN 18 HA GLN 18 -9.802 15.945 2.836 151 HB2 GLN 18 HB2 GLN 18 -11.333 13.390 2.616 152 HB3 GLN 18 HB3 GLN 18 -11.077 14.233 1.113 153 HG2 GLN 18 HG2 GLN 18 -9.172 12.770 1.431 154 HG3 GLN 18 HG3 GLN 18 -8.624 14.413 1.744 155 HE21 GLN 18 HE21 GLN 18 -9.284 15.008 4.267 156 HE22 GLN 18 HE22 GLN 18 -8.687 13.870 5.377 157 H LEU 19 H LEU 19 -13.269 15.077 2.687 158 HA LEU 19 HA LEU 19 -13.762 17.121 0.666 159 HB2 LEU 19 HB2 LEU 19 -15.324 15.035 2.122 160 HB3 LEU 19 HB3 LEU 19 -16.248 16.463 1.668 161 HG LEU 19 HG LEU 19 -16.293 14.752 -0.129 162 HD11 LEU 19 HD11 LEU 19 -15.829 17.457 -0.394 163 HD12 LEU 19 HD12 LEU 19 -16.206 16.378 -1.735 164 HD13 LEU 19 HD13 LEU 19 -14.531 16.775 -1.367 165 HD21 LEU 19 HD21 LEU 19 -13.312 15.251 -0.351 166 HD22 LEU 19 HD22 LEU 19 -14.265 14.068 -1.235 167 HD23 LEU 19 HD23 LEU 19 -13.987 13.861 0.490 168 H LYS 20 H LYS 20 -13.554 17.047 4.058 169 HA LYS 20 HA LYS 20 -15.338 19.322 4.471 170 HB2 LYS 20 HB2 LYS 20 -15.057 17.764 6.323 171 HB3 LYS 20 HB3 LYS 20 -13.304 17.872 6.221 172 HG2 LYS 20 HG2 LYS 20 -13.319 20.155 6.989 173 HG3 LYS 20 HG3 LYS 20 -15.072 20.246 6.848 174 HD2 LYS 20 HD2 LYS 20 -14.990 18.170 8.500 175 HD3 LYS 20 HD3 LYS 20 -13.403 18.819 8.900 176 HE2 LYS 20 HE2 LYS 20 -14.309 20.883 9.650 177 HE3 LYS 20 HE3 LYS 20 -15.849 20.596 8.852 178 HZ1 LYS 20 HZ1 LYS 20 -16.324 18.837 10.393 179 HZ2 LYS 20 HZ2 LYS 20 -15.963 20.260 11.247 180 HZ3 LYS 20 HZ3 LYS 20 -14.807 19.022 11.134 181 H GLU 21 H GLU 21 -11.841 18.716 4.282 182 HA GLU 21 HA GLU 21 -11.244 21.519 4.811 183 HB2 GLU 21 HB2 GLU 21 -9.687 19.065 3.996 184 HB3 GLU 21 HB3 GLU 21 -8.942 20.640 3.741 185 HG2 GLU 21 HG2 GLU 21 -9.268 21.211 6.106 186 HG3 GLU 21 HG3 GLU 21 -10.105 19.685 6.382 187 H LEU 22 H LEU 22 -12.055 19.621 2.067 188 HA LEU 22 HA LEU 22 -10.903 21.411 0.099 189 HB2 LEU 22 HB2 LEU 22 -12.417 18.918 0.155 190 HB3 LEU 22 HB3 LEU 22 -13.152 20.008 -1.008 191 HG LEU 22 HG LEU 22 -11.347 18.557 -1.987 192 HD11 LEU 22 HD11 LEU 22 -11.314 21.550 -2.018 193 HD12 LEU 22 HD12 LEU 22 -11.633 20.424 -3.328 194 HD13 LEU 22 HD13 LEU 22 -9.980 20.716 -2.804 195 HD21 LEU 22 HD21 LEU 22 -9.244 20.241 -0.734 196 HD22 LEU 22 HD22 LEU 22 -9.206 18.542 -1.169 197 HD23 LEU 22 HD23 LEU 22 -9.991 19.043 0.320 198 H GLU 23 H GLU 23 -14.231 20.799 1.187 199 HA GLU 23 HA GLU 23 -15.330 23.030 -0.290 200 HB2 GLU 23 HB2 GLU 23 -16.391 21.428 2.089 201 HB3 GLU 23 HB3 GLU 23 -17.354 22.582 1.176 202 HG2 GLU 23 HG2 GLU 23 -16.863 21.253 -0.907 203 HG3 GLU 23 HG3 GLU 23 -16.065 20.051 0.102 204 H ARG 24 H ARG 24 -13.631 22.823 2.662 205 HA ARG 24 HA ARG 24 -14.870 25.210 3.831 206 HB2 ARG 24 HB2 ARG 24 -12.654 23.305 4.536 207 HB3 ARG 24 HB3 ARG 24 -12.578 24.908 5.248 208 HG2 ARG 24 HG2 ARG 24 -13.896 22.990 6.496 209 HG3 ARG 24 HG3 ARG 24 -14.553 24.617 6.462 210 HD2 ARG 24 HD2 ARG 24 -15.321 22.857 4.186 211 HD3 ARG 24 HD3 ARG 24 -15.999 22.442 5.745 212 HE ARG 24 HE ARG 24 -16.337 25.239 5.354 213 HH11 ARG 24 HH11 ARG 24 -17.413 22.123 4.440 214 HH12 ARG 24 HH12 ARG 24 -18.911 22.667 3.762 215 HH21 ARG 24 HH21 ARG 24 -18.182 26.045 4.357 216 HH22 ARG 24 HH22 ARG 24 -19.357 24.947 3.714 217 H GLU 25 H GLU 25 -11.662 24.442 2.539 218 HA GLU 25 HA GLU 25 -10.775 27.173 2.614 219 HB2 GLU 25 HB2 GLU 25 -9.763 25.021 0.698 220 HB3 GLU 25 HB3 GLU 25 -8.847 26.346 1.403 221 HG2 GLU 25 HG2 GLU 25 -10.099 24.470 3.356 222 HG3 GLU 25 HG3 GLU 25 -8.786 23.807 2.393 223 H TYR 26 H TYR 26 -12.802 25.405 0.490 224 HA TYR 26 HA TYR 26 -12.361 27.301 -1.748 225 HB2 TYR 26 HB2 TYR 26 -12.896 24.698 -1.884 226 HB3 TYR 26 HB3 TYR 26 -14.564 25.215 -1.663 227 HD1 TYR 26 HD1 TYR 26 -15.449 27.035 -3.277 228 HD2 TYR 26 HD2 TYR 26 -11.880 24.835 -4.014 229 HE1 TYR 26 HE1 TYR 26 -15.581 27.620 -5.657 230 HE2 TYR 26 HE2 TYR 26 -12.009 25.425 -6.391 231 HH TYR 26 HH TYR 26 -14.372 27.711 -7.603 232 H ALA 27 H ALA 27 -14.652 26.609 0.793 233 HA ALA 27 HA ALA 27 -16.606 28.513 -0.309 234 HB1 ALA 27 HB1 ALA 27 -17.359 26.433 0.881 235 HB2 ALA 27 HB2 ALA 27 -17.939 27.878 1.705 236 HB3 ALA 27 HB3 ALA 27 -16.560 26.990 2.348 237 H THR 28 H THR 28 -13.846 28.623 1.622 238 HA THR 28 HA THR 28 -14.682 30.784 3.380 239 HB THR 28 HB THR 28 -11.895 29.724 2.586 240 HG1 THR 28 HG1 THR 28 -13.436 29.471 4.958 241 HG21 THR 28 HG21 THR 28 -10.992 31.205 4.162 242 HG22 THR 28 HG22 THR 28 -12.394 31.060 5.216 243 HG23 THR 28 HG23 THR 28 -12.435 32.163 3.845 244 H ASN 29 H ASN 29 -12.844 30.505 0.373 245 HA ASN 29 HA ASN 29 -13.485 33.353 -0.174 246 HB2 ASN 29 HB2 ASN 29 -10.671 32.147 -0.199 247 HB3 ASN 29 HB3 ASN 29 -11.066 33.712 -0.906 248 HD21 ASN 29 HD21 ASN 29 -9.537 32.669 1.681 249 HD22 ASN 29 HD22 ASN 29 -10.093 33.740 2.874 250 H LYS 30 H LYS 30 -11.269 30.986 -1.630 251 HA LYS 30 HA LYS 30 -13.020 30.241 -3.771 252 HB2 LYS 30 HB2 LYS 30 -12.272 32.820 -4.162 253 HB3 LYS 30 HB3 LYS 30 -10.816 32.060 -4.784 254 HG2 LYS 30 HG2 LYS 30 -11.883 31.240 -6.645 255 HG3 LYS 30 HG3 LYS 30 -13.368 30.892 -5.772 256 HD2 LYS 30 HD2 LYS 30 -13.874 32.693 -7.279 257 HD3 LYS 30 HD3 LYS 30 -13.771 33.402 -5.673 258 HE2 LYS 30 HE2 LYS 30 -11.288 33.267 -7.355 259 HE3 LYS 30 HE3 LYS 30 -12.482 34.510 -7.706 260 HZ1 LYS 30 HZ1 LYS 30 -11.247 35.590 -6.172 261 HZ2 LYS 30 HZ2 LYS 30 -10.782 34.173 -5.358 262 HZ3 LYS 30 HZ3 LYS 30 -12.333 34.823 -5.115 263 H PHE 31 H PHE 31 -9.670 30.999 -2.962 264 HA PHE 31 HA PHE 31 -8.975 28.197 -3.421 265 HB2 PHE 31 HB2 PHE 31 -8.602 29.934 -5.560 266 HB3 PHE 31 HB3 PHE 31 -7.036 30.026 -4.748 267 HD1 PHE 31 HD1 PHE 31 -5.932 27.788 -4.080 268 HD2 PHE 31 HD2 PHE 31 -9.132 28.022 -6.866 269 HE1 PHE 31 HE1 PHE 31 -5.504 25.480 -4.755 270 HE2 PHE 31 HE2 PHE 31 -8.661 25.724 -7.581 271 HZ PHE 31 HZ PHE 31 -6.890 24.436 -6.466 272 H ILE 32 H ILE 32 -6.817 27.723 -2.681 273 HA ILE 32 HA ILE 32 -6.037 29.611 -0.516 274 HB ILE 32 HB ILE 32 -4.913 27.051 -0.033 275 HG12 ILE 32 HG12 ILE 32 -7.023 25.660 -0.095 276 HG13 ILE 32 HG13 ILE 32 -7.753 26.895 -1.106 277 HG21 ILE 32 HG21 ILE 32 -5.925 28.697 1.601 278 HG22 ILE 32 HG22 ILE 32 -6.570 27.074 1.831 279 HG23 ILE 32 HG23 ILE 32 -7.523 28.290 0.984 280 HD11 ILE 32 HD11 ILE 32 -6.843 25.651 -2.814 281 HD12 ILE 32 HD12 ILE 32 -5.647 24.899 -1.764 282 HD13 ILE 32 HD13 ILE 32 -5.371 26.517 -2.396 283 H THR 33 H THR 33 -3.775 29.635 0.069 284 HA THR 33 HA THR 33 -2.108 30.045 -2.263 285 HB THR 33 HB THR 33 -0.329 30.525 -0.421 286 HG1 THR 33 HG1 THR 33 -1.700 30.660 1.647 287 HG21 THR 33 HG21 THR 33 -3.099 31.801 -0.012 288 HG22 THR 33 HG22 THR 33 -1.934 32.354 -1.211 289 HG23 THR 33 HG23 THR 33 -1.570 32.500 0.506 290 H LYS 34 H LYS 34 0.007 29.121 -2.550 291 HA LYS 34 HA LYS 34 0.035 26.366 -2.879 292 HB2 LYS 34 HB2 LYS 34 2.219 28.429 -2.505 293 HB3 LYS 34 HB3 LYS 34 2.655 26.729 -2.649 294 HG2 LYS 34 HG2 LYS 34 2.690 27.746 -4.871 295 HG3 LYS 34 HG3 LYS 34 1.347 26.618 -4.787 296 HD2 LYS 34 HD2 LYS 34 0.813 29.459 -3.983 297 HD3 LYS 34 HD3 LYS 34 1.050 29.151 -5.695 298 HE2 LYS 34 HE2 LYS 34 -0.711 27.109 -4.785 299 HE3 LYS 34 HE3 LYS 34 -1.290 28.603 -4.066 300 HZ1 LYS 34 HZ1 LYS 34 -2.032 27.909 -6.432 301 HZ2 LYS 34 HZ2 LYS 34 -0.544 28.579 -6.901 302 HZ3 LYS 34 HZ3 LYS 34 -1.689 29.537 -6.091 303 H ASP 35 H ASP 35 1.019 28.204 -0.038 304 HA ASP 35 HA ASP 35 1.985 25.832 1.346 305 HB2 ASP 35 HB2 ASP 35 2.718 28.212 1.883 306 HB3 ASP 35 HB3 ASP 35 1.098 28.533 2.496 307 H LYS 36 H LYS 36 -1.011 27.532 0.976 308 HA LYS 36 HA LYS 36 -2.308 26.131 3.179 309 HB2 LYS 36 HB2 LYS 36 -3.251 27.982 0.963 310 HB3 LYS 36 HB3 LYS 36 -4.381 27.220 2.075 311 HG2 LYS 36 HG2 LYS 36 -2.000 28.626 3.225 312 HG3 LYS 36 HG3 LYS 36 -3.327 29.609 2.613 313 HD2 LYS 36 HD2 LYS 36 -4.888 28.641 4.123 314 HD3 LYS 36 HD3 LYS 36 -3.821 27.289 4.488 315 HE2 LYS 36 HE2 LYS 36 -4.010 29.282 6.198 316 HE3 LYS 36 HE3 LYS 36 -2.433 28.584 5.859 317 HZ1 LYS 36 HZ1 LYS 36 -1.837 30.655 5.392 318 HZ2 LYS 36 HZ2 LYS 36 -3.439 31.204 5.273 319 HZ3 LYS 36 HZ3 LYS 36 -2.692 30.466 3.937 320 H ARG 37 H ARG 37 -2.357 25.936 -0.383 321 HA ARG 37 HA ARG 37 -4.298 23.824 -0.394 322 HB2 ARG 37 HB2 ARG 37 -3.752 23.582 -2.747 323 HB3 ARG 37 HB3 ARG 37 -3.575 25.293 -2.406 324 HG2 ARG 37 HG2 ARG 37 -1.555 24.998 -3.421 325 HG3 ARG 37 HG3 ARG 37 -1.082 24.482 -1.816 326 HD2 ARG 37 HD2 ARG 37 -1.179 22.187 -2.381 327 HD3 ARG 37 HD3 ARG 37 -2.214 22.482 -3.775 328 HE ARG 37 HE ARG 37 0.714 22.831 -3.700 329 HH11 ARG 37 HH11 ARG 37 -2.306 23.513 -5.178 330 HH12 ARG 37 HH12 ARG 37 -1.657 23.697 -6.773 331 HH21 ARG 37 HH21 ARG 37 1.614 22.968 -5.741 332 HH22 ARG 37 HH22 ARG 37 0.621 23.379 -7.099 333 H ARG 38 H ARG 38 -0.971 24.045 0.269 334 HA ARG 38 HA ARG 38 -0.352 21.252 -0.199 335 HB2 ARG 38 HB2 ARG 38 1.026 23.662 0.950 336 HB3 ARG 38 HB3 ARG 38 1.586 22.107 1.543 337 HG2 ARG 38 HG2 ARG 38 1.920 21.347 -0.797 338 HG3 ARG 38 HG3 ARG 38 1.406 22.928 -1.373 339 HD2 ARG 38 HD2 ARG 38 3.752 23.157 -1.318 340 HD3 ARG 38 HD3 ARG 38 3.277 23.833 0.240 341 HE ARG 38 HE ARG 38 3.915 20.949 0.222 342 HH11 ARG 38 HH11 ARG 38 3.913 23.305 2.337 343 HH12 ARG 38 HH12 ARG 38 5.597 23.318 2.741 344 HH21 ARG 38 HH21 ARG 38 6.476 21.304 0.011 345 HH22 ARG 38 HH22 ARG 38 7.087 22.155 1.390 346 H ARG 39 H ARG 39 -1.446 23.253 2.464 347 HA ARG 39 HA ARG 39 -0.944 21.374 4.560 348 HB2 ARG 39 HB2 ARG 39 -2.726 23.765 4.144 349 HB3 ARG 39 HB3 ARG 39 -3.207 22.657 5.420 350 HG2 ARG 39 HG2 ARG 39 -1.135 22.934 6.576 351 HG3 ARG 39 HG3 ARG 39 -0.373 23.695 5.184 352 HD2 ARG 39 HD2 ARG 39 -0.887 25.564 6.500 353 HD3 ARG 39 HD3 ARG 39 -2.315 25.471 5.468 354 HE ARG 39 HE ARG 39 -2.220 24.438 8.276 355 HH11 ARG 39 HH11 ARG 39 -3.525 27.054 7.399 356 HH12 ARG 39 HH12 ARG 39 -5.192 26.587 7.309 357 HH21 ARG 39 HH21 ARG 39 -4.442 23.163 7.339 358 HH22 ARG 39 HH22 ARG 39 -5.723 24.326 7.275 359 H ILE 40 H ILE 40 -3.493 21.872 2.230 360 HA ILE 40 HA ILE 40 -5.303 19.938 3.297 361 HB ILE 40 HB ILE 40 -4.766 20.702 0.391 362 HG12 ILE 40 HG12 ILE 40 -6.718 21.938 2.360 363 HG13 ILE 40 HG13 ILE 40 -5.217 22.687 1.826 364 HG21 ILE 40 HG21 ILE 40 -7.388 19.850 1.647 365 HG22 ILE 40 HG22 ILE 40 -6.241 18.660 1.049 366 HG23 ILE 40 HG23 ILE 40 -6.947 19.829 -0.053 367 HD11 ILE 40 HD11 ILE 40 -7.568 21.921 0.037 368 HD12 ILE 40 HD12 ILE 40 -6.053 22.593 -0.544 369 HD13 ILE 40 HD13 ILE 40 -7.104 23.555 0.483 370 H SER 41 H SER 41 -3.486 19.595 0.253 371 HA SER 41 HA SER 41 -3.488 16.868 0.013 372 HB2 SER 41 HB2 SER 41 -2.189 17.687 -1.733 373 HB3 SER 41 HB3 SER 41 -1.581 19.033 -0.761 374 HG SER 41 HG SER 41 -0.023 17.780 0.036 375 H ALA 42 H ALA 42 -1.605 18.694 2.348 376 HA ALA 42 HA ALA 42 0.061 16.424 3.113 377 HB1 ALA 42 HB1 ALA 42 0.544 18.003 5.124 378 HB2 ALA 42 HB2 ALA 42 -0.494 19.172 4.313 379 HB3 ALA 42 HB3 ALA 42 0.984 18.617 3.533 380 H THR 43 H THR 43 -2.968 17.794 4.067 381 HA THR 43 HA THR 43 -3.080 16.060 6.470 382 HB THR 43 HB THR 43 -4.729 18.373 5.351 383 HG1 THR 43 HG1 THR 43 -4.475 18.583 7.833 384 HG21 THR 43 HG21 THR 43 -6.098 17.720 7.595 385 HG22 THR 43 HG22 THR 43 -5.627 16.094 7.127 386 HG23 THR 43 HG23 THR 43 -6.597 17.075 6.034 387 H THR 44 H THR 44 -4.343 16.515 3.307 388 HA THR 44 HA THR 44 -6.246 14.297 3.545 389 HB THR 44 HB THR 44 -6.658 15.031 1.082 390 HG1 THR 44 HG1 THR 44 -5.538 17.108 0.794 391 HG21 THR 44 HG21 THR 44 -7.671 16.218 3.260 392 HG22 THR 44 HG22 THR 44 -7.774 17.063 1.720 393 HG23 THR 44 HG23 THR 44 -6.508 17.481 2.872 394 H ASN 45 H ASN 45 -3.027 14.779 2.901 395 HA ASN 45 HA ASN 45 -1.312 13.466 2.057 396 HB2 ASN 45 HB2 ASN 45 -3.442 11.309 2.439 397 HB3 ASN 45 HB3 ASN 45 -1.754 10.974 2.089 398 HD21 ASN 45 HD21 ASN 45 -0.278 11.052 3.814 399 HD22 ASN 45 HD22 ASN 45 -0.691 11.516 5.394 400 H LEU 46 H LEU 46 -1.745 14.721 0.026 401 HA LEU 46 HA LEU 46 -2.387 12.754 -2.173 402 HB2 LEU 46 HB2 LEU 46 -2.769 15.728 -2.540 403 HB3 LEU 46 HB3 LEU 46 -3.551 14.410 -3.394 404 HG LEU 46 HG LEU 46 -4.070 14.868 -0.455 405 HD11 LEU 46 HD11 LEU 46 -6.038 15.839 -2.431 406 HD12 LEU 46 HD12 LEU 46 -4.578 16.782 -2.349 407 HD13 LEU 46 HD13 LEU 46 -5.545 16.569 -0.912 408 HD21 LEU 46 HD21 LEU 46 -5.615 13.570 -2.717 409 HD22 LEU 46 HD22 LEU 46 -6.202 13.733 -1.064 410 HD23 LEU 46 HD23 LEU 46 -4.797 12.729 -1.407 411 H SER 47 H SER 47 -1.711 15.436 -3.782 412 HA SER 47 HA SER 47 1.234 15.359 -3.467 413 HB2 SER 47 HB2 SER 47 -0.069 14.882 -6.201 414 HB3 SER 47 HB3 SER 47 1.637 14.667 -5.760 415 HG SER 47 HG SER 47 -0.447 12.974 -5.424 416 H GLU 48 H GLU 48 -0.998 17.379 -3.210 417 HA GLU 48 HA GLU 48 -1.162 19.679 -3.501 418 HB2 GLU 48 HB2 GLU 48 1.202 19.643 -5.396 419 HB3 GLU 48 HB3 GLU 48 0.780 20.838 -4.178 420 HG2 GLU 48 HG2 GLU 48 1.166 18.678 -2.575 421 HG3 GLU 48 HG3 GLU 48 2.293 18.294 -3.871 422 H ARG 49 H ARG 49 0.180 18.397 -6.499 423 HA ARG 49 HA ARG 49 -1.433 19.929 -8.217 424 HB2 ARG 49 HB2 ARG 49 -0.167 17.165 -8.490 425 HB3 ARG 49 HB3 ARG 49 -1.070 17.892 -9.817 426 HG2 ARG 49 HG2 ARG 49 0.448 19.714 -9.997 427 HG3 ARG 49 HG3 ARG 49 1.159 19.385 -8.421 428 HD2 ARG 49 HD2 ARG 49 1.771 17.055 -9.511 429 HD3 ARG 49 HD3 ARG 49 1.578 17.939 -11.025 430 HE ARG 49 HE ARG 49 3.568 18.623 -8.906 431 HH11 ARG 49 HH11 ARG 49 2.057 20.124 -11.414 432 HH12 ARG 49 HH12 ARG 49 3.467 20.416 -12.376 433 HH21 ARG 49 HH21 ARG 49 5.501 18.389 -10.363 434 HH22 ARG 49 HH22 ARG 49 5.468 19.405 -11.765 435 H GLN 50 H GLN 50 -2.053 17.106 -6.338 436 HA GLN 50 HA GLN 50 -4.487 16.329 -7.665 437 HB2 GLN 50 HB2 GLN 50 -3.064 15.679 -5.095 438 HB3 GLN 50 HB3 GLN 50 -4.774 15.273 -5.193 439 HG2 GLN 50 HG2 GLN 50 -2.831 14.502 -7.383 440 HG3 GLN 50 HG3 GLN 50 -3.106 13.464 -5.986 441 HE21 GLN 50 HE21 GLN 50 -5.264 12.523 -5.725 442 HE22 GLN 50 HE22 GLN 50 -6.361 12.473 -7.020 443 H VAL 51 H VAL 51 -3.662 18.432 -4.936 444 HA VAL 51 HA VAL 51 -6.376 18.859 -4.078 445 HB VAL 51 HB VAL 51 -4.157 20.929 -3.940 446 HG11 VAL 51 HG11 VAL 51 -6.828 20.633 -2.862 447 HG12 VAL 51 HG12 VAL 51 -5.737 22.008 -2.729 448 HG13 VAL 51 HG13 VAL 51 -5.665 20.713 -1.556 449 HG21 VAL 51 HG21 VAL 51 -3.546 18.493 -3.182 450 HG22 VAL 51 HG22 VAL 51 -4.577 18.855 -1.800 451 HG23 VAL 51 HG23 VAL 51 -3.155 19.838 -2.121 452 H THR 52 H THR 52 -4.103 20.604 -6.037 453 HA THR 52 HA THR 52 -5.684 22.705 -6.918 454 HB THR 52 HB THR 52 -4.217 21.459 -9.124 455 HG1 THR 52 HG1 THR 52 -3.126 21.559 -6.520 456 HG21 THR 52 HG21 THR 52 -2.568 23.397 -8.446 457 HG22 THR 52 HG22 THR 52 -3.801 23.847 -7.271 458 HG23 THR 52 HG23 THR 52 -4.168 23.887 -8.992 459 H ILE 53 H ILE 53 -5.460 19.409 -8.051 460 HA ILE 53 HA ILE 53 -7.428 19.728 -10.125 461 HB ILE 53 HB ILE 53 -5.709 17.614 -8.941 462 HG12 ILE 53 HG12 ILE 53 -5.196 18.499 -11.102 463 HG13 ILE 53 HG13 ILE 53 -5.702 16.831 -11.327 464 HG21 ILE 53 HG21 ILE 53 -7.690 16.366 -8.434 465 HG22 ILE 53 HG22 ILE 53 -7.247 15.778 -10.032 466 HG23 ILE 53 HG23 ILE 53 -8.542 16.949 -9.854 467 HD11 ILE 53 HD11 ILE 53 -6.972 19.316 -12.274 468 HD12 ILE 53 HD12 ILE 53 -8.102 18.199 -11.525 469 HD13 ILE 53 HD13 ILE 53 -7.131 17.676 -12.891 470 H TRP 54 H TRP 54 -7.411 18.888 -6.759 471 HA TRP 54 HA TRP 54 -10.017 17.743 -6.661 472 HB2 TRP 54 HB2 TRP 54 -8.049 17.927 -4.856 473 HB3 TRP 54 HB3 TRP 54 -8.881 19.399 -4.384 474 HD1 TRP 54 HD1 TRP 54 -11.827 18.073 -5.108 475 HE1 TRP 54 HE1 TRP 54 -12.655 16.225 -3.597 476 HE3 TRP 54 HE3 TRP 54 -7.613 17.296 -2.683 477 HZ2 TRP 54 HZ2 TRP 54 -11.531 14.549 -1.416 478 HZ3 TRP 54 HZ3 TRP 54 -7.464 15.600 -0.873 479 HH2 TRP 54 HH2 TRP 54 -9.399 14.247 -0.267 480 H PHE 55 H PHE 55 -8.693 20.983 -6.226 481 HA PHE 55 HA PHE 55 -11.200 22.193 -5.598 482 HB2 PHE 55 HB2 PHE 55 -8.606 23.153 -6.800 483 HB3 PHE 55 HB3 PHE 55 -9.983 24.250 -6.729 484 HD1 PHE 55 HD1 PHE 55 -8.754 21.594 -4.398 485 HD2 PHE 55 HD2 PHE 55 -9.731 25.707 -4.888 486 HE1 PHE 55 HE1 PHE 55 -8.369 21.957 -2.012 487 HE2 PHE 55 HE2 PHE 55 -9.358 26.062 -2.487 488 HZ PHE 55 HZ PHE 55 -8.669 24.197 -1.051 489 H GLN 56 H GLN 56 -9.638 21.681 -8.751 490 HA GLN 56 HA GLN 56 -11.685 22.976 -10.285 491 HB2 GLN 56 HB2 GLN 56 -9.611 20.847 -10.850 492 HB3 GLN 56 HB3 GLN 56 -10.770 21.283 -12.088 493 HG2 GLN 56 HG2 GLN 56 -10.070 23.721 -11.679 494 HG3 GLN 56 HG3 GLN 56 -8.714 23.066 -10.763 495 HE21 GLN 56 HE21 GLN 56 -7.027 23.561 -12.243 496 HE22 GLN 56 HE22 GLN 56 -6.942 22.914 -13.811 497 H ASN 57 H ASN 57 -11.304 19.732 -9.022 498 HA ASN 57 HA ASN 57 -13.510 18.597 -10.497 499 HB2 ASN 57 HB2 ASN 57 -11.473 17.513 -9.033 500 HB3 ASN 57 HB3 ASN 57 -12.729 17.506 -7.799 501 HD21 ASN 57 HD21 ASN 57 -14.860 17.196 -9.948 502 HD22 ASN 57 HD22 ASN 57 -14.777 15.564 -10.407 503 H ARG 58 H ARG 58 -13.023 20.038 -7.356 504 HA ARG 58 HA ARG 58 -15.649 19.559 -6.364 505 HB2 ARG 58 HB2 ARG 58 -13.295 20.750 -5.443 506 HB3 ARG 58 HB3 ARG 58 -14.375 22.118 -5.586 507 HG2 ARG 58 HG2 ARG 58 -15.097 19.540 -4.158 508 HG3 ARG 58 HG3 ARG 58 -14.466 20.962 -3.336 509 HD2 ARG 58 HD2 ARG 58 -16.777 21.300 -3.136 510 HD3 ARG 58 HD3 ARG 58 -16.422 22.206 -4.606 511 HE ARG 58 HE ARG 58 -17.660 20.601 -5.821 512 HH11 ARG 58 HH11 ARG 58 -16.048 18.276 -4.764 513 HH12 ARG 58 HH12 ARG 58 -17.262 17.335 -3.965 514 HH21 ARG 58 HH21 ARG 58 -19.574 19.968 -3.939 515 HH22 ARG 58 HH22 ARG 58 -19.312 18.315 -3.490 516 H ARG 59 H ARG 59 -14.328 21.633 -8.751 517 HA ARG 59 HA ARG 59 -16.615 23.539 -8.624 518 HB2 ARG 59 HB2 ARG 59 -14.026 23.901 -9.393 519 HB3 ARG 59 HB3 ARG 59 -14.691 23.431 -10.952 520 HG2 ARG 59 HG2 ARG 59 -15.953 25.585 -9.235 521 HG3 ARG 59 HG3 ARG 59 -14.717 25.942 -10.436 522 HD2 ARG 59 HD2 ARG 59 -16.377 24.422 -11.945 523 HD3 ARG 59 HD3 ARG 59 -17.550 25.112 -10.825 524 HE ARG 59 HE ARG 59 -15.982 26.610 -12.821 525 HH11 ARG 59 HH11 ARG 59 -17.606 26.664 -9.812 526 HH12 ARG 59 HH12 ARG 59 -18.255 28.258 -10.012 527 HH21 ARG 59 HH21 ARG 59 -16.915 28.619 -13.231 528 HH22 ARG 59 HH22 ARG 59 -17.852 29.394 -11.997 529 H VAL 60 H VAL 60 -15.575 20.692 -10.091 530 HA VAL 60 HA VAL 60 -17.539 20.832 -12.271 531 HB VAL 60 HB VAL 60 -14.990 19.621 -11.834 532 HG11 VAL 60 HG11 VAL 60 -16.245 17.721 -10.764 533 HG12 VAL 60 HG12 VAL 60 -15.383 17.236 -12.221 534 HG13 VAL 60 HG13 VAL 60 -17.125 17.493 -12.270 535 HG21 VAL 60 HG21 VAL 60 -16.146 20.530 -13.951 536 HG22 VAL 60 HG22 VAL 60 -16.897 18.944 -14.095 537 HG23 VAL 60 HG23 VAL 60 -15.144 19.097 -14.164 538 H LYS 61 H LYS 61 -17.150 19.614 -9.096 539 HA LYS 61 HA LYS 61 -19.316 17.630 -9.383 540 HB2 LYS 61 HB2 LYS 61 -17.316 18.387 -7.235 541 HB3 LYS 61 HB3 LYS 61 -18.756 17.485 -6.782 542 HG2 LYS 61 HG2 LYS 61 -17.142 16.553 -9.135 543 HG3 LYS 61 HG3 LYS 61 -16.561 16.199 -7.514 544 HD2 LYS 61 HD2 LYS 61 -19.432 15.673 -7.826 545 HD3 LYS 61 HD3 LYS 61 -18.443 14.706 -8.915 546 HE2 LYS 61 HE2 LYS 61 -16.992 14.134 -6.898 547 HE3 LYS 61 HE3 LYS 61 -18.231 14.877 -5.897 548 HZ1 LYS 61 HZ1 LYS 61 -19.173 12.931 -7.827 549 HZ2 LYS 61 HZ2 LYS 61 -19.635 13.179 -6.212 550 HZ3 LYS 61 HZ3 LYS 61 -18.219 12.312 -6.566 551 H GLU 62 H GLU 62 -18.814 20.882 -8.280 552 HA GLU 62 HA GLU 62 -21.114 20.982 -6.524 553 HB2 GLU 62 HB2 GLU 62 -20.658 23.354 -6.443 554 HB3 GLU 62 HB3 GLU 62 -19.083 22.595 -6.612 555 HG2 GLU 62 HG2 GLU 62 -19.301 22.897 -9.112 556 HG3 GLU 62 HG3 GLU 62 -20.726 23.872 -8.799 557 H LYS 63 H LYS 63 -20.469 21.915 -9.874 558 HA LYS 63 HA LYS 63 -22.956 23.090 -10.438 559 HB2 LYS 63 HB2 LYS 63 -22.513 22.465 -12.799 560 HB3 LYS 63 HB3 LYS 63 -21.010 22.976 -12.036 561 HG2 LYS 63 HG2 LYS 63 -20.496 20.590 -11.553 562 HG3 LYS 63 HG3 LYS 63 -21.945 20.119 -12.424 563 HD2 LYS 63 HD2 LYS 63 -20.893 21.624 -14.339 564 HD3 LYS 63 HD3 LYS 63 -19.390 21.291 -13.483 565 HE2 LYS 63 HE2 LYS 63 -19.705 18.905 -13.713 566 HE3 LYS 63 HE3 LYS 63 -21.340 19.123 -14.322 567 HZ1 LYS 63 HZ1 LYS 63 -20.599 19.492 -16.365 568 HZ2 LYS 63 HZ2 LYS 63 -19.109 18.874 -15.833 569 HZ3 LYS 63 HZ3 LYS 63 -19.379 20.551 -15.844 570 H LYS 64 H LYS 64 -22.170 19.809 -9.791 571 HA LYS 64 HA LYS 64 -24.334 18.502 -11.123 572 HB2 LYS 64 HB2 LYS 64 -22.342 17.387 -9.982 573 HB3 LYS 64 HB3 LYS 64 -23.086 17.757 -8.430 574 HG2 LYS 64 HG2 LYS 64 -25.074 16.438 -9.048 575 HG3 LYS 64 HG3 LYS 64 -24.380 16.105 -10.629 576 HD2 LYS 64 HD2 LYS 64 -22.581 14.826 -9.660 577 HD3 LYS 64 HD3 LYS 64 -22.995 15.360 -8.036 578 HE2 LYS 64 HE2 LYS 64 -25.228 14.219 -8.304 579 HE3 LYS 64 HE3 LYS 64 -24.662 13.575 -9.840 580 HZ1 LYS 64 HZ1 LYS 64 -22.749 13.086 -7.823 581 HZ2 LYS 64 HZ2 LYS 64 -23.596 11.974 -8.787 582 HZ3 LYS 64 HZ3 LYS 64 -24.266 12.511 -7.322 583 H VAL 65 H VAL 65 -24.257 20.510 -8.320 584 HA VAL 65 HA VAL 65 -26.872 19.522 -7.362 585 HB VAL 65 HB VAL 65 -25.348 21.973 -6.368 586 HG11 VAL 65 HG11 VAL 65 -27.209 21.989 -5.050 587 HG12 VAL 65 HG12 VAL 65 -26.446 20.636 -4.218 588 HG13 VAL 65 HG13 VAL 65 -27.636 20.335 -5.479 589 HG21 VAL 65 HG21 VAL 65 -23.779 20.064 -6.449 590 HG22 VAL 65 HG22 VAL 65 -24.940 19.067 -5.576 591 HG23 VAL 65 HG23 VAL 65 -24.195 20.452 -4.784 592 H ILE 66 H ILE 66 -28.083 21.822 -6.511 593 HA ILE 66 HA ILE 66 -29.711 23.290 -7.374 594 HB ILE 66 HB ILE 66 -27.515 24.366 -9.161 595 HG12 ILE 66 HG12 ILE 66 -27.476 24.184 -6.149 596 HG13 ILE 66 HG13 ILE 66 -26.177 23.859 -7.291 597 HG21 ILE 66 HG21 ILE 66 -29.317 25.742 -7.106 598 HG22 ILE 66 HG22 ILE 66 -29.837 25.445 -8.762 599 HG23 ILE 66 HG23 ILE 66 -28.460 26.497 -8.446 600 HD11 ILE 66 HD11 ILE 66 -27.341 26.552 -6.534 601 HD12 ILE 66 HD12 ILE 66 -26.299 26.330 -7.938 602 HD13 ILE 66 HD13 ILE 66 -25.683 25.999 -6.321 603 H ASN 67 H ASN 67 -29.100 20.778 -8.945 604 HA ASN 67 HA ASN 67 -30.528 21.651 -11.406 605 HB2 ASN 67 HB2 ASN 67 -27.969 21.389 -11.768 606 HB3 ASN 67 HB3 ASN 67 -28.209 19.669 -11.480 607 HD21 ASN 67 HD21 ASN 67 -29.221 18.419 -13.133 608 HD22 ASN 67 HD22 ASN 67 -29.643 19.062 -14.648 609 H LYS 68 H LYS 68 -30.621 19.824 -8.777 610 HA LYS 68 HA LYS 68 -32.099 17.612 -10.162 611 HB2 LYS 68 HB2 LYS 68 -29.806 17.168 -8.843 612 HB3 LYS 68 HB3 LYS 68 -30.856 17.244 -7.432 613 HG2 LYS 68 HG2 LYS 68 -32.373 15.578 -8.694 614 HG3 LYS 68 HG3 LYS 68 -31.001 15.329 -9.766 615 HD2 LYS 68 HD2 LYS 68 -29.596 14.813 -7.740 616 HD3 LYS 68 HD3 LYS 68 -31.057 14.899 -6.764 617 HE2 LYS 68 HE2 LYS 68 -30.590 13.009 -9.093 618 HE3 LYS 68 HE3 LYS 68 -30.577 12.563 -7.392 619 HZ1 LYS 68 HZ1 LYS 68 -32.743 12.269 -7.509 620 HZ2 LYS 68 HZ2 LYS 68 -32.769 12.782 -9.127 621 HZ3 LYS 68 HZ3 LYS 68 -32.957 13.913 -7.875 622 H LEU 69 H LEU 69 -32.847 20.272 -8.862 623 HA LEU 69 HA LEU 69 -34.367 19.533 -6.499 624 HB2 LEU 69 HB2 LEU 69 -34.193 21.964 -8.308 625 HB3 LEU 69 HB3 LEU 69 -35.477 21.863 -7.109 626 HG LEU 69 HG LEU 69 -33.334 23.024 -6.335 627 HD11 LEU 69 HD11 LEU 69 -35.151 21.697 -4.924 628 HD12 LEU 69 HD12 LEU 69 -33.672 22.268 -4.155 629 HD13 LEU 69 HD13 LEU 69 -33.814 20.584 -4.650 630 HD21 LEU 69 HD21 LEU 69 -31.887 21.256 -7.515 631 HD22 LEU 69 HD22 LEU 69 -32.279 20.187 -6.173 632 HD23 LEU 69 HD23 LEU 69 -31.401 21.686 -5.877 633 H LYS 70 H LYS 70 -35.364 20.529 -9.784 634 HA LYS 70 HA LYS 70 -38.112 19.755 -9.340 635 HB2 LYS 70 HB2 LYS 70 -36.531 20.203 -11.923 636 HB3 LYS 70 HB3 LYS 70 -38.284 20.057 -11.840 637 HG2 LYS 70 HG2 LYS 70 -37.120 22.025 -9.961 638 HG3 LYS 70 HG3 LYS 70 -36.931 22.436 -11.660 639 HD2 LYS 70 HD2 LYS 70 -39.570 21.636 -10.384 640 HD3 LYS 70 HD3 LYS 70 -39.074 23.302 -10.662 641 HE2 LYS 70 HE2 LYS 70 -39.965 21.241 -12.612 642 HE3 LYS 70 HE3 LYS 70 -40.183 22.987 -12.649 643 HZ1 LYS 70 HZ1 LYS 70 -37.689 21.515 -13.278 644 HZ2 LYS 70 HZ2 LYS 70 -37.835 23.206 -13.236 645 HZ3 LYS 70 HZ3 LYS 70 -38.702 22.307 -14.386 646 H THR 71 H THR 71 -35.366 18.208 -10.962 647 HA THR 71 HA THR 71 -35.044 15.975 -11.590 648 HB THR 71 HB THR 71 -37.385 15.206 -9.784 649 HG1 THR 71 HG1 THR 71 -34.826 16.260 -9.113 650 HG21 THR 71 HG21 THR 71 -35.925 13.401 -10.782 651 HG22 THR 71 HG22 THR 71 -35.653 13.507 -9.046 652 HG23 THR 71 HG23 THR 71 -34.495 14.221 -10.165 653 H THR 72 H THR 72 -36.753 17.550 -13.197 654 HA THR 72 HA THR 72 -39.223 16.258 -13.817 655 HB THR 72 HB THR 72 -38.440 18.583 -14.644 656 HG1 THR 72 HG1 THR 72 -39.869 16.650 -15.735 657 HG21 THR 72 HG21 THR 72 -36.849 18.713 -16.387 658 HG22 THR 72 HG22 THR 72 -37.286 17.132 -17.025 659 HG23 THR 72 HG23 THR 72 -36.228 17.253 -15.622 660 H SER 73 H SER 73 -36.269 14.916 -13.920 661 HA SER 73 HA SER 73 -36.152 13.676 -16.490 662 HB2 SER 73 HB2 SER 73 -34.766 11.911 -15.158 663 HB3 SER 73 HB3 SER 73 -34.195 13.585 -15.016 664 HG SER 73 HG SER 73 -35.499 11.978 -13.173 Start of MODEL 2 1 HA MET 1 HA MET 1 14.946 10.611 -12.560 2 H SER 2 H SER 2 12.672 8.934 -13.216 3 HA SER 2 HA SER 2 13.021 6.939 -11.160 4 HB2 SER 2 HB2 SER 2 10.501 6.909 -10.545 5 HB3 SER 2 HB3 SER 2 11.389 8.310 -9.918 6 HG SER 2 HG SER 2 9.762 9.237 -11.003 7 H HIS 3 H HIS 3 12.769 5.014 -12.077 8 HA HIS 3 HA HIS 3 10.747 4.628 -14.190 9 HB2 HIS 3 HB2 HIS 3 12.423 3.802 -15.820 10 HB3 HIS 3 HB3 HIS 3 12.846 5.445 -15.347 11 HD1 HIS 3 HD1 HIS 3 13.607 3.159 -12.767 12 HD2 HIS 3 HD2 HIS 3 15.557 4.454 -16.078 13 HE1 HIS 3 HE1 HIS 3 15.921 2.555 -12.393 14 H MET 4 H MET 4 11.269 3.603 -11.493 15 HA MET 4 HA MET 4 10.783 0.808 -12.048 16 HB2 MET 4 HB2 MET 4 13.289 0.912 -12.311 17 HB3 MET 4 HB3 MET 4 13.418 1.562 -10.680 18 HG2 MET 4 HG2 MET 4 13.495 -0.543 -9.924 19 HG3 MET 4 HG3 MET 4 11.819 -0.697 -10.379 20 HE1 MET 4 HE1 MET 4 12.565 -3.320 -10.116 21 HE2 MET 4 HE2 MET 4 12.271 -4.034 -11.702 22 HE3 MET 4 HE3 MET 4 11.188 -2.788 -11.082 23 H LEU 5 H LEU 5 9.074 0.795 -10.697 24 HA LEU 5 HA LEU 5 9.664 1.170 -7.801 25 HB2 LEU 5 HB2 LEU 5 7.324 2.303 -7.682 26 HB3 LEU 5 HB3 LEU 5 8.623 3.270 -8.369 27 HG LEU 5 HG LEU 5 7.133 1.548 -10.282 28 HD11 LEU 5 HD11 LEU 5 5.927 4.056 -9.061 29 HD12 LEU 5 HD12 LEU 5 5.310 2.420 -8.845 30 HD13 LEU 5 HD13 LEU 5 5.274 3.173 -10.437 31 HD21 LEU 5 HD21 LEU 5 7.380 3.624 -11.656 32 HD22 LEU 5 HD22 LEU 5 8.922 3.053 -11.026 33 HD23 LEU 5 HD23 LEU 5 8.116 4.423 -10.269 34 H GLU 6 H GLU 6 7.688 0.431 -6.488 35 HA GLU 6 HA GLU 6 6.175 -1.729 -7.830 36 HB2 GLU 6 HB2 GLU 6 6.942 -3.143 -5.662 37 HB3 GLU 6 HB3 GLU 6 7.917 -3.138 -7.127 38 HG2 GLU 6 HG2 GLU 6 9.271 -1.268 -6.201 39 HG3 GLU 6 HG3 GLU 6 8.310 -1.319 -4.725 40 H GLY 7 H GLY 7 5.938 0.884 -6.125 41 HA2 GLY 7 HA2 GLY 7 4.599 0.237 -3.702 42 HA3 GLY 7 HA3 GLY 7 4.350 1.724 -4.614 43 H ARG 8 H ARG 8 2.775 -0.857 -3.405 44 HA ARG 8 HA ARG 8 1.117 -1.913 -5.373 45 HB2 ARG 8 HB2 ARG 8 -0.658 -1.974 -3.526 46 HB3 ARG 8 HB3 ARG 8 0.904 -2.624 -3.040 47 HG2 ARG 8 HG2 ARG 8 1.466 -0.312 -2.139 48 HG3 ARG 8 HG3 ARG 8 -0.214 0.124 -2.421 49 HD2 ARG 8 HD2 ARG 8 -0.277 -0.604 -0.188 50 HD3 ARG 8 HD3 ARG 8 -0.725 -2.072 -1.055 51 HE ARG 8 HE ARG 8 1.311 -3.030 -0.345 52 HH11 ARG 8 HH11 ARG 8 1.080 0.291 0.382 53 HH12 ARG 8 HH12 ARG 8 2.709 0.446 0.948 54 HH21 ARG 8 HH21 ARG 8 3.524 -2.862 0.128 55 HH22 ARG 8 HH22 ARG 8 4.128 -1.387 0.805 56 H LYS 9 H LYS 9 -1.105 -1.362 -5.961 57 HA LYS 9 HA LYS 9 -1.260 1.455 -6.735 58 HB2 LYS 9 HB2 LYS 9 -3.488 0.632 -7.757 59 HB3 LYS 9 HB3 LYS 9 -2.046 -0.178 -8.355 60 HG2 LYS 9 HG2 LYS 9 -2.412 -2.042 -6.801 61 HG3 LYS 9 HG3 LYS 9 -3.806 -1.220 -6.111 62 HD2 LYS 9 HD2 LYS 9 -5.011 -1.363 -8.207 63 HD3 LYS 9 HD3 LYS 9 -3.585 -1.963 -9.044 64 HE2 LYS 9 HE2 LYS 9 -4.709 -3.439 -6.665 65 HE3 LYS 9 HE3 LYS 9 -5.376 -3.691 -8.272 66 HZ1 LYS 9 HZ1 LYS 9 -3.438 -4.605 -9.039 67 HZ2 LYS 9 HZ2 LYS 9 -3.467 -5.177 -7.441 68 HZ3 LYS 9 HZ3 LYS 9 -2.474 -3.862 -7.853 69 H LYS 10 H LYS 10 -3.086 2.817 -6.268 70 HA LYS 10 HA LYS 10 -4.762 2.032 -3.963 71 HB2 LYS 10 HB2 LYS 10 -2.414 3.305 -3.413 72 HB3 LYS 10 HB3 LYS 10 -3.420 4.711 -3.741 73 HG2 LYS 10 HG2 LYS 10 -3.727 4.344 -1.423 74 HG3 LYS 10 HG3 LYS 10 -5.142 3.593 -2.150 75 HD2 LYS 10 HD2 LYS 10 -4.296 1.413 -1.846 76 HD3 LYS 10 HD3 LYS 10 -2.638 1.978 -1.683 77 HE2 LYS 10 HE2 LYS 10 -4.083 1.285 0.457 78 HE3 LYS 10 HE3 LYS 10 -2.919 2.602 0.527 79 HZ1 LYS 10 HZ1 LYS 10 -4.814 3.520 1.421 80 HZ2 LYS 10 HZ2 LYS 10 -5.853 2.739 0.327 81 HZ3 LYS 10 HZ3 LYS 10 -4.895 4.041 -0.194 82 H ARG 11 H ARG 11 -6.715 3.013 -3.967 83 HA ARG 11 HA ARG 11 -7.413 4.573 -6.333 84 HB2 ARG 11 HB2 ARG 11 -9.076 3.928 -3.848 85 HB3 ARG 11 HB3 ARG 11 -9.704 4.472 -5.398 86 HG2 ARG 11 HG2 ARG 11 -9.956 2.226 -5.781 87 HG3 ARG 11 HG3 ARG 11 -8.252 2.323 -6.211 88 HD2 ARG 11 HD2 ARG 11 -7.558 1.537 -4.063 89 HD3 ARG 11 HD3 ARG 11 -9.154 1.806 -3.364 90 HE ARG 11 HE ARG 11 -9.916 -0.054 -4.979 91 HH11 ARG 11 HH11 ARG 11 -6.612 0.285 -5.063 92 HH12 ARG 11 HH12 ARG 11 -6.232 -1.356 -4.659 93 HH21 ARG 11 HH21 ARG 11 -9.558 -2.147 -3.885 94 HH22 ARG 11 HH22 ARG 11 -7.945 -2.771 -3.976 95 H VAL 12 H VAL 12 -8.902 6.537 -5.926 96 HA VAL 12 HA VAL 12 -7.296 8.568 -4.719 97 HB VAL 12 HB VAL 12 -10.277 8.811 -5.285 98 HG11 VAL 12 HG11 VAL 12 -7.910 10.692 -5.579 99 HG12 VAL 12 HG12 VAL 12 -9.175 10.794 -4.359 100 HG13 VAL 12 HG13 VAL 12 -9.560 11.083 -6.051 101 HG21 VAL 12 HG21 VAL 12 -7.981 8.700 -7.267 102 HG22 VAL 12 HG22 VAL 12 -9.584 9.311 -7.665 103 HG23 VAL 12 HG23 VAL 12 -9.375 7.625 -7.200 104 HA PRO 13 HA PRO 13 -8.470 8.085 -0.478 105 HB2 PRO 13 HB2 PRO 13 -8.203 10.943 0.022 106 HB3 PRO 13 HB3 PRO 13 -7.095 9.657 0.498 107 HG2 PRO 13 HG2 PRO 13 -6.749 11.606 -1.629 108 HG3 PRO 13 HG3 PRO 13 -5.619 10.345 -1.127 109 HD2 PRO 13 HD2 PRO 13 -7.188 10.410 -3.527 110 HD3 PRO 13 HD3 PRO 13 -6.148 9.091 -2.962 111 H TYR 14 H TYR 14 -9.460 11.411 -1.140 112 HA TYR 14 HA TYR 14 -11.552 12.435 -0.900 113 HB2 TYR 14 HB2 TYR 14 -11.673 10.420 -2.854 114 HB3 TYR 14 HB3 TYR 14 -13.065 10.052 -1.856 115 HD1 TYR 14 HD1 TYR 14 -11.388 12.946 -3.512 116 HD2 TYR 14 HD2 TYR 14 -15.057 11.238 -2.206 117 HE1 TYR 14 HE1 TYR 14 -12.619 14.765 -4.599 118 HE2 TYR 14 HE2 TYR 14 -16.289 13.060 -3.288 119 HH TYR 14 HH TYR 14 -15.553 14.732 -5.474 120 H THR 15 H THR 15 -11.018 11.961 1.510 121 HA THR 15 HA THR 15 -12.945 9.997 2.661 122 HB THR 15 HB THR 15 -10.986 11.669 4.291 123 HG1 THR 15 HG1 THR 15 -10.386 10.251 2.191 124 HG21 THR 15 HG21 THR 15 -11.592 10.082 5.881 125 HG22 THR 15 HG22 THR 15 -11.020 8.816 4.802 126 HG23 THR 15 HG23 THR 15 -12.695 9.346 4.722 127 H LYS 16 H LYS 16 -13.327 11.204 5.142 128 HA LYS 16 HA LYS 16 -15.296 13.245 4.338 129 HB2 LYS 16 HB2 LYS 16 -14.768 11.764 6.957 130 HB3 LYS 16 HB3 LYS 16 -16.040 12.969 6.771 131 HG2 LYS 16 HG2 LYS 16 -17.115 11.646 5.031 132 HG3 LYS 16 HG3 LYS 16 -15.779 10.502 5.012 133 HD2 LYS 16 HD2 LYS 16 -16.289 9.770 7.265 134 HD3 LYS 16 HD3 LYS 16 -17.487 11.045 7.459 135 HE2 LYS 16 HE2 LYS 16 -18.585 8.894 6.936 136 HE3 LYS 16 HE3 LYS 16 -18.840 10.052 5.637 137 HZ1 LYS 16 HZ1 LYS 16 -17.783 7.530 5.415 138 HZ2 LYS 16 HZ2 LYS 16 -16.452 8.569 5.233 139 HZ3 LYS 16 HZ3 LYS 16 -17.803 8.733 4.217 140 H VAL 17 H VAL 17 -12.259 13.106 6.081 141 HA VAL 17 HA VAL 17 -12.715 15.835 7.159 142 HB VAL 17 HB VAL 17 -10.340 13.908 7.376 143 HG11 VAL 17 HG11 VAL 17 -9.686 15.515 9.249 144 HG12 VAL 17 HG12 VAL 17 -10.888 16.627 8.600 145 HG13 VAL 17 HG13 VAL 17 -9.505 16.151 7.617 146 HG21 VAL 17 HG21 VAL 17 -12.517 14.696 9.346 147 HG22 VAL 17 HG22 VAL 17 -11.133 13.678 9.732 148 HG23 VAL 17 HG23 VAL 17 -12.340 13.122 8.577 149 H GLN 18 H GLN 18 -11.121 14.082 4.728 150 HA GLN 18 HA GLN 18 -9.339 16.209 3.872 151 HB2 GLN 18 HB2 GLN 18 -10.313 13.726 2.375 152 HB3 GLN 18 HB3 GLN 18 -8.815 14.577 2.155 153 HG2 GLN 18 HG2 GLN 18 -8.023 13.974 4.348 154 HG3 GLN 18 HG3 GLN 18 -9.553 13.207 4.718 155 HE21 GLN 18 HE21 GLN 18 -8.230 12.892 1.474 156 HE22 GLN 18 HE22 GLN 18 -7.757 11.267 1.617 157 H LEU 19 H LEU 19 -12.429 14.819 2.724 158 HA LEU 19 HA LEU 19 -12.624 16.770 0.583 159 HB2 LEU 19 HB2 LEU 19 -13.743 14.534 0.524 160 HB3 LEU 19 HB3 LEU 19 -14.745 15.013 1.889 161 HG LEU 19 HG LEU 19 -15.594 16.931 0.530 162 HD11 LEU 19 HD11 LEU 19 -15.150 16.463 -2.042 163 HD12 LEU 19 HD12 LEU 19 -13.688 15.692 -1.437 164 HD13 LEU 19 HD13 LEU 19 -13.986 17.396 -1.107 165 HD21 LEU 19 HD21 LEU 19 -17.023 15.557 -0.877 166 HD22 LEU 19 HD22 LEU 19 -16.761 14.753 0.666 167 HD23 LEU 19 HD23 LEU 19 -15.884 14.222 -0.766 168 H LYS 20 H LYS 20 -13.608 16.569 3.900 169 HA LYS 20 HA LYS 20 -15.551 18.693 3.790 170 HB2 LYS 20 HB2 LYS 20 -15.596 17.235 5.727 171 HB3 LYS 20 HB3 LYS 20 -13.875 17.454 6.025 172 HG2 LYS 20 HG2 LYS 20 -14.268 19.816 6.593 173 HG3 LYS 20 HG3 LYS 20 -15.986 19.618 6.256 174 HD2 LYS 20 HD2 LYS 20 -15.641 17.567 7.979 175 HD3 LYS 20 HD3 LYS 20 -14.379 18.643 8.569 176 HE2 LYS 20 HE2 LYS 20 -15.995 20.461 8.832 177 HE3 LYS 20 HE3 LYS 20 -17.266 19.475 8.121 178 HZ1 LYS 20 HZ1 LYS 20 -17.385 18.133 9.966 179 HZ2 LYS 20 HZ2 LYS 20 -17.085 19.654 10.662 180 HZ3 LYS 20 HZ3 LYS 20 -15.822 18.528 10.503 181 H GLU 21 H GLU 21 -12.105 18.427 4.398 182 HA GLU 21 HA GLU 21 -11.731 21.167 5.093 183 HB2 GLU 21 HB2 GLU 21 -10.053 19.203 5.349 184 HB3 GLU 21 HB3 GLU 21 -9.730 19.379 3.628 185 HG2 GLU 21 HG2 GLU 21 -8.721 21.468 3.895 186 HG3 GLU 21 HG3 GLU 21 -9.601 21.818 5.380 187 H LEU 22 H LEU 22 -12.296 19.450 2.148 188 HA LEU 22 HA LEU 22 -11.192 21.433 0.375 189 HB2 LEU 22 HB2 LEU 22 -12.416 18.910 0.134 190 HB3 LEU 22 HB3 LEU 22 -13.540 19.991 -0.674 191 HG LEU 22 HG LEU 22 -12.015 19.318 -2.371 192 HD11 LEU 22 HD11 LEU 22 -10.527 21.771 -1.598 193 HD12 LEU 22 HD12 LEU 22 -12.261 21.942 -1.766 194 HD13 LEU 22 HD13 LEU 22 -11.297 21.374 -3.123 195 HD21 LEU 22 HD21 LEU 22 -10.367 18.301 -0.913 196 HD22 LEU 22 HD22 LEU 22 -9.842 19.864 -0.332 197 HD23 LEU 22 HD23 LEU 22 -9.555 19.401 -2.004 198 H GLU 23 H GLU 23 -14.564 20.768 1.301 199 HA GLU 23 HA GLU 23 -15.638 23.051 -0.060 200 HB2 GLU 23 HB2 GLU 23 -16.702 21.602 2.415 201 HB3 GLU 23 HB3 GLU 23 -17.649 22.619 1.337 202 HG2 GLU 23 HG2 GLU 23 -17.563 21.061 -0.420 203 HG3 GLU 23 HG3 GLU 23 -16.120 20.276 0.219 204 H ARG 24 H ARG 24 -13.853 22.738 2.800 205 HA ARG 24 HA ARG 24 -14.920 25.157 4.050 206 HB2 ARG 24 HB2 ARG 24 -12.829 23.088 4.625 207 HB3 ARG 24 HB3 ARG 24 -12.551 24.673 5.331 208 HG2 ARG 24 HG2 ARG 24 -13.948 22.906 6.677 209 HG3 ARG 24 HG3 ARG 24 -14.498 24.574 6.640 210 HD2 ARG 24 HD2 ARG 24 -15.492 22.850 4.432 211 HD3 ARG 24 HD3 ARG 24 -16.107 22.470 6.031 212 HE ARG 24 HE ARG 24 -16.298 25.284 5.664 213 HH11 ARG 24 HH11 ARG 24 -17.942 22.372 5.534 214 HH12 ARG 24 HH12 ARG 24 -19.306 22.963 4.646 215 HH21 ARG 24 HH21 ARG 24 -17.823 26.086 4.059 216 HH22 ARG 24 HH22 ARG 24 -19.236 25.122 3.787 217 H GLU 25 H GLU 25 -11.872 24.234 2.489 218 HA GLU 25 HA GLU 25 -10.821 26.922 2.599 219 HB2 GLU 25 HB2 GLU 25 -10.018 24.739 0.625 220 HB3 GLU 25 HB3 GLU 25 -9.009 26.033 1.256 221 HG2 GLU 25 HG2 GLU 25 -10.156 24.380 3.396 222 HG3 GLU 25 HG3 GLU 25 -9.157 23.445 2.289 223 H TYR 26 H TYR 26 -13.120 25.382 0.619 224 HA TYR 26 HA TYR 26 -12.612 27.193 -1.672 225 HB2 TYR 26 HB2 TYR 26 -13.845 24.647 -1.362 226 HB3 TYR 26 HB3 TYR 26 -15.159 25.741 -1.773 227 HD1 TYR 26 HD1 TYR 26 -13.919 27.687 -3.538 228 HD2 TYR 26 HD2 TYR 26 -13.237 23.495 -3.316 229 HE1 TYR 26 HE1 TYR 26 -13.189 27.684 -5.877 230 HE2 TYR 26 HE2 TYR 26 -12.506 23.493 -5.654 231 HH TYR 26 HH TYR 26 -12.783 26.339 -7.678 232 H ALA 27 H ALA 27 -15.020 26.634 0.839 233 HA ALA 27 HA ALA 27 -16.709 28.821 -0.053 234 HB1 ALA 27 HB1 ALA 27 -16.546 27.351 2.630 235 HB2 ALA 27 HB2 ALA 27 -17.601 26.913 1.290 236 HB3 ALA 27 HB3 ALA 27 -17.854 28.428 2.153 237 H THR 28 H THR 28 -13.793 28.607 1.659 238 HA THR 28 HA THR 28 -14.163 30.905 3.378 239 HB THR 28 HB THR 28 -11.632 29.499 2.321 240 HG1 THR 28 HG1 THR 28 -11.839 28.447 4.239 241 HG21 THR 28 HG21 THR 28 -11.061 31.793 3.163 242 HG22 THR 28 HG22 THR 28 -10.598 30.607 4.379 243 HG23 THR 28 HG23 THR 28 -12.077 31.541 4.579 244 H ASN 29 H ASN 29 -12.901 30.378 0.129 245 HA ASN 29 HA ASN 29 -13.267 33.248 -0.408 246 HB2 ASN 29 HB2 ASN 29 -10.972 33.221 0.499 247 HB3 ASN 29 HB3 ASN 29 -10.534 31.880 -0.551 248 HD21 ASN 29 HD21 ASN 29 -8.929 34.052 -0.824 249 HD22 ASN 29 HD22 ASN 29 -9.283 34.924 -2.237 250 H LYS 30 H LYS 30 -11.007 31.261 -2.141 251 HA LYS 30 HA LYS 30 -12.988 30.451 -4.167 252 HB2 LYS 30 HB2 LYS 30 -12.041 32.935 -4.553 253 HB3 LYS 30 HB3 LYS 30 -10.615 32.082 -5.127 254 HG2 LYS 30 HG2 LYS 30 -11.661 31.872 -7.121 255 HG3 LYS 30 HG3 LYS 30 -12.760 30.742 -6.337 256 HD2 LYS 30 HD2 LYS 30 -14.357 32.455 -5.872 257 HD3 LYS 30 HD3 LYS 30 -13.198 33.737 -6.208 258 HE2 LYS 30 HE2 LYS 30 -13.692 31.817 -8.424 259 HE3 LYS 30 HE3 LYS 30 -15.027 32.891 -8.024 260 HZ1 LYS 30 HZ1 LYS 30 -12.791 33.482 -9.528 261 HZ2 LYS 30 HZ2 LYS 30 -12.595 34.329 -8.068 262 HZ3 LYS 30 HZ3 LYS 30 -13.994 34.560 -9.003 263 H PHE 31 H PHE 31 -9.635 30.937 -3.338 264 HA PHE 31 HA PHE 31 -9.113 28.107 -3.765 265 HB2 PHE 31 HB2 PHE 31 -8.610 29.751 -5.930 266 HB3 PHE 31 HB3 PHE 31 -7.065 29.838 -5.077 267 HD1 PHE 31 HD1 PHE 31 -5.972 27.646 -4.356 268 HD2 PHE 31 HD2 PHE 31 -9.219 27.760 -7.103 269 HE1 PHE 31 HE1 PHE 31 -5.565 25.301 -4.932 270 HE2 PHE 31 HE2 PHE 31 -8.794 25.418 -7.690 271 HZ PHE 31 HZ PHE 31 -7.008 24.171 -6.555 272 H ILE 32 H ILE 32 -6.948 27.564 -2.983 273 HA ILE 32 HA ILE 32 -6.240 29.439 -0.782 274 HB ILE 32 HB ILE 32 -5.157 26.849 -0.279 275 HG12 ILE 32 HG12 ILE 32 -7.355 25.547 -0.382 276 HG13 ILE 32 HG13 ILE 32 -7.964 26.783 -1.460 277 HG21 ILE 32 HG21 ILE 32 -6.237 28.564 1.288 278 HG22 ILE 32 HG22 ILE 32 -6.787 26.921 1.570 279 HG23 ILE 32 HG23 ILE 32 -7.802 28.053 0.684 280 HD11 ILE 32 HD11 ILE 32 -5.617 26.305 -2.673 281 HD12 ILE 32 HD12 ILE 32 -7.054 25.355 -3.034 282 HD13 ILE 32 HD13 ILE 32 -5.843 24.729 -1.919 283 H THR 33 H THR 33 -4.108 29.747 -0.251 284 HA THR 33 HA THR 33 -2.324 30.082 -2.457 285 HB THR 33 HB THR 33 -1.184 29.982 0.342 286 HG1 THR 33 HG1 THR 33 -3.430 31.434 -0.561 287 HG21 THR 33 HG21 THR 33 -0.427 32.274 -0.356 288 HG22 THR 33 HG22 THR 33 -1.416 32.170 -1.810 289 HG23 THR 33 HG23 THR 33 -0.013 31.124 -1.621 290 H LYS 34 H LYS 34 -0.223 29.152 -2.725 291 HA LYS 34 HA LYS 34 -0.215 26.370 -2.929 292 HB2 LYS 34 HB2 LYS 34 1.968 28.459 -2.746 293 HB3 LYS 34 HB3 LYS 34 2.418 26.756 -2.752 294 HG2 LYS 34 HG2 LYS 34 2.402 27.523 -5.054 295 HG3 LYS 34 HG3 LYS 34 1.008 26.472 -4.830 296 HD2 LYS 34 HD2 LYS 34 0.526 29.330 -4.216 297 HD3 LYS 34 HD3 LYS 34 0.862 28.984 -5.906 298 HE2 LYS 34 HE2 LYS 34 -0.892 27.125 -5.742 299 HE3 LYS 34 HE3 LYS 34 -1.342 27.796 -4.186 300 HZ1 LYS 34 HZ1 LYS 34 -1.600 29.971 -5.411 301 HZ2 LYS 34 HZ2 LYS 34 -2.767 28.776 -5.717 302 HZ3 LYS 34 HZ3 LYS 34 -1.530 29.062 -6.844 303 H ASP 35 H ASP 35 0.737 28.399 -0.239 304 HA ASP 35 HA ASP 35 1.832 26.218 1.314 305 HB2 ASP 35 HB2 ASP 35 0.900 29.060 1.893 306 HB3 ASP 35 HB3 ASP 35 1.296 27.981 3.229 307 H LYS 36 H LYS 36 -1.291 27.539 0.674 308 HA LYS 36 HA LYS 36 -2.506 26.071 2.905 309 HB2 LYS 36 HB2 LYS 36 -3.562 27.944 0.749 310 HB3 LYS 36 HB3 LYS 36 -4.639 27.086 1.844 311 HG2 LYS 36 HG2 LYS 36 -3.359 28.058 3.784 312 HG3 LYS 36 HG3 LYS 36 -2.418 29.004 2.640 313 HD2 LYS 36 HD2 LYS 36 -4.628 29.953 1.787 314 HD3 LYS 36 HD3 LYS 36 -5.393 29.190 3.176 315 HE2 LYS 36 HE2 LYS 36 -3.202 31.285 3.238 316 HE3 LYS 36 HE3 LYS 36 -4.867 31.486 3.766 317 HZ1 LYS 36 HZ1 LYS 36 -3.308 31.105 5.602 318 HZ2 LYS 36 HZ2 LYS 36 -2.950 29.570 4.968 319 HZ3 LYS 36 HZ3 LYS 36 -4.520 29.918 5.517 320 H ARG 37 H ARG 37 -1.859 25.759 -0.464 321 HA ARG 37 HA ARG 37 -3.883 23.758 -1.034 322 HB2 ARG 37 HB2 ARG 37 -1.216 24.507 -2.349 323 HB3 ARG 37 HB3 ARG 37 -2.258 23.249 -2.994 324 HG2 ARG 37 HG2 ARG 37 -4.086 24.889 -3.204 325 HG3 ARG 37 HG3 ARG 37 -3.031 26.150 -2.589 326 HD2 ARG 37 HD2 ARG 37 -2.827 26.389 -4.933 327 HD3 ARG 37 HD3 ARG 37 -1.429 25.398 -4.523 328 HE ARG 37 HE ARG 37 -3.952 24.074 -5.405 329 HH11 ARG 37 HH11 ARG 37 -2.028 25.413 -7.422 330 HH12 ARG 37 HH12 ARG 37 -1.109 24.040 -7.944 331 HH21 ARG 37 HH21 ARG 37 -2.210 22.039 -5.285 332 HH22 ARG 37 HH22 ARG 37 -1.214 22.080 -6.701 333 H ARG 38 H ARG 38 -0.510 23.809 -0.138 334 HA ARG 38 HA ARG 38 -0.171 20.975 -0.116 335 HB2 ARG 38 HB2 ARG 38 1.779 22.476 -0.315 336 HB3 ARG 38 HB3 ARG 38 1.393 23.225 1.229 337 HG2 ARG 38 HG2 ARG 38 1.741 21.047 2.369 338 HG3 ARG 38 HG3 ARG 38 2.134 20.306 0.824 339 HD2 ARG 38 HD2 ARG 38 4.169 20.980 2.146 340 HD3 ARG 38 HD3 ARG 38 4.086 21.757 0.567 341 HE ARG 38 HE ARG 38 2.814 23.536 2.293 342 HH11 ARG 38 HH11 ARG 38 5.399 21.717 3.305 343 HH12 ARG 38 HH12 ARG 38 6.485 23.039 3.569 344 HH21 ARG 38 HH21 ARG 38 4.342 25.365 2.058 345 HH22 ARG 38 HH22 ARG 38 5.873 25.159 2.843 346 H ARG 39 H ARG 39 -1.232 23.352 2.218 347 HA ARG 39 HA ARG 39 -0.854 21.771 4.549 348 HB2 ARG 39 HB2 ARG 39 -2.567 24.082 3.738 349 HB3 ARG 39 HB3 ARG 39 -3.203 23.124 5.065 350 HG2 ARG 39 HG2 ARG 39 -1.348 23.563 6.441 351 HG3 ARG 39 HG3 ARG 39 -0.311 23.969 5.079 352 HD2 ARG 39 HD2 ARG 39 -1.329 26.097 4.791 353 HD3 ARG 39 HD3 ARG 39 -2.736 25.647 5.750 354 HE ARG 39 HE ARG 39 -0.079 26.393 6.834 355 HH11 ARG 39 HH11 ARG 39 -2.290 24.183 7.788 356 HH12 ARG 39 HH12 ARG 39 -2.805 24.986 9.234 357 HH21 ARG 39 HH21 ARG 39 -1.123 27.953 8.428 358 HH22 ARG 39 HH22 ARG 39 -2.125 27.175 9.607 359 H ILE 40 H ILE 40 -3.479 22.063 2.229 360 HA ILE 40 HA ILE 40 -5.198 20.169 3.458 361 HB ILE 40 HB ILE 40 -4.716 20.714 0.493 362 HG12 ILE 40 HG12 ILE 40 -6.918 21.944 2.147 363 HG13 ILE 40 HG13 ILE 40 -5.323 22.680 2.125 364 HG21 ILE 40 HG21 ILE 40 -7.129 19.656 2.012 365 HG22 ILE 40 HG22 ILE 40 -6.063 18.692 0.997 366 HG23 ILE 40 HG23 ILE 40 -7.067 19.945 0.279 367 HD11 ILE 40 HD11 ILE 40 -6.355 23.766 0.323 368 HD12 ILE 40 HD12 ILE 40 -7.286 22.348 -0.136 369 HD13 ILE 40 HD13 ILE 40 -5.566 22.435 -0.502 370 H SER 41 H SER 41 -3.386 19.596 0.431 371 HA SER 41 HA SER 41 -3.390 16.820 0.442 372 HB2 SER 41 HB2 SER 41 -1.160 16.966 -0.758 373 HB3 SER 41 HB3 SER 41 -2.257 18.231 -1.328 374 HG SER 41 HG SER 41 0.070 18.598 -0.273 375 H ALA 42 H ALA 42 -1.446 18.915 2.491 376 HA ALA 42 HA ALA 42 0.267 16.754 3.425 377 HB1 ALA 42 HB1 ALA 42 1.035 19.104 3.546 378 HB2 ALA 42 HB2 ALA 42 0.910 18.468 5.183 379 HB3 ALA 42 HB3 ALA 42 -0.342 19.533 4.555 380 H THR 43 H THR 43 -2.747 18.218 4.396 381 HA THR 43 HA THR 43 -2.775 16.613 6.891 382 HB THR 43 HB THR 43 -4.301 18.975 5.789 383 HG1 THR 43 HG1 THR 43 -2.650 18.786 7.508 384 HG21 THR 43 HG21 THR 43 -6.100 18.509 7.550 385 HG22 THR 43 HG22 THR 43 -5.461 16.878 7.706 386 HG23 THR 43 HG23 THR 43 -6.188 17.395 6.188 387 H THR 44 H THR 44 -3.997 16.731 3.702 388 HA THR 44 HA THR 44 -5.945 14.585 4.247 389 HB THR 44 HB THR 44 -6.574 15.148 1.796 390 HG1 THR 44 HG1 THR 44 -4.206 16.184 2.033 391 HG21 THR 44 HG21 THR 44 -6.380 17.814 3.137 392 HG22 THR 44 HG22 THR 44 -7.191 16.584 4.100 393 HG23 THR 44 HG23 THR 44 -7.816 17.011 2.511 394 H ASN 45 H ASN 45 -2.798 15.074 3.166 395 HA ASN 45 HA ASN 45 -1.169 13.580 2.438 396 HB2 ASN 45 HB2 ASN 45 -2.731 11.991 3.890 397 HB3 ASN 45 HB3 ASN 45 -3.203 11.340 2.325 398 HD21 ASN 45 HD21 ASN 45 -1.683 10.042 1.188 399 HD22 ASN 45 HD22 ASN 45 -0.157 9.641 1.813 400 H LEU 46 H LEU 46 -1.810 15.051 0.458 401 HA LEU 46 HA LEU 46 -2.426 13.175 -1.824 402 HB2 LEU 46 HB2 LEU 46 -2.993 16.163 -1.621 403 HB3 LEU 46 HB3 LEU 46 -3.308 15.185 -3.030 404 HG LEU 46 HG LEU 46 -4.467 14.217 -0.462 405 HD11 LEU 46 HD11 LEU 46 -5.921 15.901 -0.144 406 HD12 LEU 46 HD12 LEU 46 -6.233 16.104 -1.849 407 HD13 LEU 46 HD13 LEU 46 -4.861 16.887 -1.101 408 HD21 LEU 46 HD21 LEU 46 -5.294 14.342 -3.369 409 HD22 LEU 46 HD22 LEU 46 -6.401 13.828 -2.100 410 HD23 LEU 46 HD23 LEU 46 -4.928 12.916 -2.408 411 H SER 47 H SER 47 -1.713 16.146 -3.032 412 HA SER 47 HA SER 47 1.184 16.114 -2.827 413 HB2 SER 47 HB2 SER 47 0.280 15.545 -5.652 414 HB3 SER 47 HB3 SER 47 1.762 15.028 -4.828 415 HG SER 47 HG SER 47 -0.326 13.574 -5.165 416 H GLU 48 H GLU 48 -1.266 17.899 -2.863 417 HA GLU 48 HA GLU 48 -1.704 20.119 -3.382 418 HB2 GLU 48 HB2 GLU 48 0.940 20.231 -4.886 419 HB3 GLU 48 HB3 GLU 48 0.154 21.498 -3.956 420 HG2 GLU 48 HG2 GLU 48 0.491 19.942 -1.912 421 HG3 GLU 48 HG3 GLU 48 1.640 19.081 -2.926 422 H ARG 49 H ARG 49 0.214 18.870 -6.067 423 HA ARG 49 HA ARG 49 -1.279 20.090 -8.108 424 HB2 ARG 49 HB2 ARG 49 0.302 17.481 -7.989 425 HB3 ARG 49 HB3 ARG 49 -0.484 17.999 -9.476 426 HG2 ARG 49 HG2 ARG 49 0.756 20.159 -9.345 427 HG3 ARG 49 HG3 ARG 49 1.583 19.574 -7.906 428 HD2 ARG 49 HD2 ARG 49 3.040 19.150 -9.792 429 HD3 ARG 49 HD3 ARG 49 2.380 17.596 -9.285 430 HE ARG 49 HE ARG 49 1.256 17.474 -11.356 431 HH11 ARG 49 HH11 ARG 49 3.424 19.763 -11.823 432 HH12 ARG 49 HH12 ARG 49 2.483 20.825 -12.816 433 HH21 ARG 49 HH21 ARG 49 -0.522 19.181 -12.076 434 HH22 ARG 49 HH22 ARG 49 0.190 20.486 -12.964 435 H GLN 50 H GLN 50 -1.777 17.211 -6.229 436 HA GLN 50 HA GLN 50 -3.986 16.230 -7.792 437 HB2 GLN 50 HB2 GLN 50 -2.775 15.652 -5.078 438 HB3 GLN 50 HB3 GLN 50 -4.376 15.015 -5.430 439 HG2 GLN 50 HG2 GLN 50 -1.861 14.537 -7.074 440 HG3 GLN 50 HG3 GLN 50 -2.656 13.355 -6.037 441 HE21 GLN 50 HE21 GLN 50 -5.083 12.975 -6.646 442 HE22 GLN 50 HE22 GLN 50 -5.448 12.935 -8.303 443 H VAL 51 H VAL 51 -3.564 18.411 -5.046 444 HA VAL 51 HA VAL 51 -6.373 18.497 -4.403 445 HB VAL 51 HB VAL 51 -4.217 20.594 -3.911 446 HG11 VAL 51 HG11 VAL 51 -6.119 20.903 -1.971 447 HG12 VAL 51 HG12 VAL 51 -7.109 20.393 -3.331 448 HG13 VAL 51 HG13 VAL 51 -6.103 21.829 -3.468 449 HG21 VAL 51 HG21 VAL 51 -3.837 19.587 -1.834 450 HG22 VAL 51 HG22 VAL 51 -4.140 18.161 -2.825 451 HG23 VAL 51 HG23 VAL 51 -5.420 18.824 -1.808 452 H THR 52 H THR 52 -4.155 20.416 -6.298 453 HA THR 52 HA THR 52 -5.838 22.442 -7.196 454 HB THR 52 HB THR 52 -4.263 21.146 -9.354 455 HG1 THR 52 HG1 THR 52 -3.351 21.460 -6.725 456 HG21 THR 52 HG21 THR 52 -4.176 23.756 -7.781 457 HG22 THR 52 HG22 THR 52 -4.504 23.554 -9.498 458 HG23 THR 52 HG23 THR 52 -2.870 23.330 -8.881 459 H ILE 53 H ILE 53 -5.449 19.148 -8.256 460 HA ILE 53 HA ILE 53 -7.428 19.309 -10.341 461 HB ILE 53 HB ILE 53 -5.483 17.433 -9.234 462 HG12 ILE 53 HG12 ILE 53 -5.476 18.202 -11.521 463 HG13 ILE 53 HG13 ILE 53 -5.661 16.455 -11.495 464 HG21 ILE 53 HG21 ILE 53 -7.306 16.117 -8.301 465 HG22 ILE 53 HG22 ILE 53 -6.875 15.323 -9.810 466 HG23 ILE 53 HG23 ILE 53 -8.305 16.339 -9.727 467 HD11 ILE 53 HD11 ILE 53 -7.386 18.370 -12.724 468 HD12 ILE 53 HD12 ILE 53 -8.284 17.655 -11.396 469 HD13 ILE 53 HD13 ILE 53 -7.607 16.626 -12.648 470 H TRP 54 H TRP 54 -7.335 18.609 -6.967 471 HA TRP 54 HA TRP 54 -9.883 17.319 -6.787 472 HB2 TRP 54 HB2 TRP 54 -7.934 17.402 -5.063 473 HB3 TRP 54 HB3 TRP 54 -8.526 18.986 -4.609 474 HD1 TRP 54 HD1 TRP 54 -11.546 17.334 -5.388 475 HE1 TRP 54 HE1 TRP 54 -12.444 16.013 -3.428 476 HE3 TRP 54 HE3 TRP 54 -7.590 17.760 -2.428 477 HZ2 TRP 54 HZ2 TRP 54 -11.553 15.373 -0.689 478 HZ3 TRP 54 HZ3 TRP 54 -7.681 16.991 -0.103 479 HH2 TRP 54 HH2 TRP 54 -9.628 15.799 0.736 480 H PHE 55 H PHE 55 -8.662 20.623 -6.491 481 HA PHE 55 HA PHE 55 -11.204 21.736 -5.758 482 HB2 PHE 55 HB2 PHE 55 -8.665 22.796 -6.979 483 HB3 PHE 55 HB3 PHE 55 -10.090 23.834 -6.955 484 HD1 PHE 55 HD1 PHE 55 -8.615 21.342 -4.601 485 HD2 PHE 55 HD2 PHE 55 -10.108 25.275 -5.130 486 HE1 PHE 55 HE1 PHE 55 -8.324 21.751 -2.217 487 HE2 PHE 55 HE2 PHE 55 -9.820 25.682 -2.738 488 HZ PHE 55 HZ PHE 55 -8.889 23.949 -1.279 489 H GLN 56 H GLN 56 -9.742 21.085 -8.897 490 HA GLN 56 HA GLN 56 -11.732 22.428 -10.457 491 HB2 GLN 56 HB2 GLN 56 -9.828 20.124 -10.974 492 HB3 GLN 56 HB3 GLN 56 -10.921 20.687 -12.222 493 HG2 GLN 56 HG2 GLN 56 -9.970 23.049 -11.708 494 HG3 GLN 56 HG3 GLN 56 -8.666 22.190 -10.892 495 HE21 GLN 56 HE21 GLN 56 -9.529 20.027 -13.170 496 HE22 GLN 56 HE22 GLN 56 -8.538 20.513 -14.461 497 H ASN 57 H ASN 57 -11.597 19.292 -8.936 498 HA ASN 57 HA ASN 57 -13.874 18.230 -10.398 499 HB2 ASN 57 HB2 ASN 57 -12.084 17.361 -8.141 500 HB3 ASN 57 HB3 ASN 57 -13.708 16.671 -8.146 501 HD21 ASN 57 HD21 ASN 57 -14.389 15.817 -10.453 502 HD22 ASN 57 HD22 ASN 57 -13.192 14.972 -11.311 503 H ARG 58 H ARG 58 -13.225 20.010 -7.559 504 HA ARG 58 HA ARG 58 -15.903 19.690 -6.467 505 HB2 ARG 58 HB2 ARG 58 -13.335 20.655 -5.613 506 HB3 ARG 58 HB3 ARG 58 -14.443 22.004 -5.482 507 HG2 ARG 58 HG2 ARG 58 -14.972 19.240 -4.337 508 HG3 ARG 58 HG3 ARG 58 -14.350 20.592 -3.399 509 HD2 ARG 58 HD2 ARG 58 -16.374 21.716 -3.421 510 HD3 ARG 58 HD3 ARG 58 -16.840 21.056 -4.985 511 HE ARG 58 HE ARG 58 -17.263 19.761 -2.378 512 HH11 ARG 58 HH11 ARG 58 -16.122 17.742 -4.232 513 HH12 ARG 58 HH12 ARG 58 -17.527 17.113 -5.025 514 HH21 ARG 58 HH21 ARG 58 -19.540 19.808 -4.037 515 HH22 ARG 58 HH22 ARG 58 -19.514 18.311 -4.909 516 H ARG 59 H ARG 59 -14.352 21.505 -8.879 517 HA ARG 59 HA ARG 59 -16.264 23.785 -8.666 518 HB2 ARG 59 HB2 ARG 59 -13.809 24.131 -9.282 519 HB3 ARG 59 HB3 ARG 59 -14.094 23.206 -10.751 520 HG2 ARG 59 HG2 ARG 59 -15.715 24.833 -11.536 521 HG3 ARG 59 HG3 ARG 59 -15.654 25.697 -10.004 522 HD2 ARG 59 HD2 ARG 59 -13.062 25.290 -11.437 523 HD3 ARG 59 HD3 ARG 59 -14.181 26.469 -12.119 524 HE ARG 59 HE ARG 59 -14.097 27.112 -9.418 525 HH11 ARG 59 HH11 ARG 59 -12.637 28.012 -12.191 526 HH12 ARG 59 HH12 ARG 59 -11.139 28.544 -11.502 527 HH21 ARG 59 HH21 ARG 59 -11.866 27.171 -8.360 528 HH22 ARG 59 HH22 ARG 59 -10.689 28.052 -9.276 529 H VAL 60 H VAL 60 -15.758 20.826 -10.198 530 HA VAL 60 HA VAL 60 -17.601 21.401 -12.410 531 HB VAL 60 HB VAL 60 -15.378 19.771 -12.065 532 HG11 VAL 60 HG11 VAL 60 -17.731 17.866 -12.198 533 HG12 VAL 60 HG12 VAL 60 -16.932 18.248 -10.680 534 HG13 VAL 60 HG13 VAL 60 -16.028 17.478 -11.977 535 HG21 VAL 60 HG21 VAL 60 -16.388 20.561 -14.207 536 HG22 VAL 60 HG22 VAL 60 -17.644 19.337 -14.050 537 HG23 VAL 60 HG23 VAL 60 -15.968 18.853 -14.274 538 H LYS 61 H LYS 61 -17.575 19.947 -9.270 539 HA LYS 61 HA LYS 61 -20.162 18.595 -9.718 540 HB2 LYS 61 HB2 LYS 61 -17.936 18.371 -7.848 541 HB3 LYS 61 HB3 LYS 61 -19.437 18.563 -6.950 542 HG2 LYS 61 HG2 LYS 61 -19.077 16.569 -9.208 543 HG3 LYS 61 HG3 LYS 61 -18.870 16.162 -7.508 544 HD2 LYS 61 HD2 LYS 61 -21.300 17.468 -7.495 545 HD3 LYS 61 HD3 LYS 61 -21.347 16.619 -9.037 546 HE2 LYS 61 HE2 LYS 61 -22.181 15.003 -7.544 547 HE3 LYS 61 HE3 LYS 61 -20.479 14.572 -7.657 548 HZ1 LYS 61 HZ1 LYS 61 -20.060 15.274 -5.570 549 HZ2 LYS 61 HZ2 LYS 61 -21.699 14.884 -5.362 550 HZ3 LYS 61 HZ3 LYS 61 -21.234 16.499 -5.607 551 H GLU 62 H GLU 62 -18.875 21.499 -8.253 552 HA GLU 62 HA GLU 62 -21.281 22.067 -6.709 553 HB2 GLU 62 HB2 GLU 62 -20.165 24.142 -6.185 554 HB3 GLU 62 HB3 GLU 62 -18.876 22.957 -6.317 555 HG2 GLU 62 HG2 GLU 62 -18.602 23.636 -8.738 556 HG3 GLU 62 HG3 GLU 62 -19.732 24.947 -8.429 557 H LYS 63 H LYS 63 -19.909 23.131 -9.773 558 HA LYS 63 HA LYS 63 -21.875 25.078 -10.379 559 HB2 LYS 63 HB2 LYS 63 -21.097 24.841 -12.700 560 HB3 LYS 63 HB3 LYS 63 -19.703 24.696 -11.636 561 HG2 LYS 63 HG2 LYS 63 -19.885 22.225 -11.751 562 HG3 LYS 63 HG3 LYS 63 -21.264 22.383 -12.833 563 HD2 LYS 63 HD2 LYS 63 -18.458 23.415 -13.375 564 HD3 LYS 63 HD3 LYS 63 -19.195 22.002 -14.124 565 HE2 LYS 63 HE2 LYS 63 -19.737 23.549 -15.744 566 HE3 LYS 63 HE3 LYS 63 -21.113 23.809 -14.679 567 HZ1 LYS 63 HZ1 LYS 63 -19.035 25.596 -15.371 568 HZ2 LYS 63 HZ2 LYS 63 -19.071 25.377 -13.687 569 HZ3 LYS 63 HZ3 LYS 63 -20.466 25.898 -14.506 570 H LYS 64 H LYS 64 -22.205 21.740 -10.080 571 HA LYS 64 HA LYS 64 -24.488 21.615 -11.979 572 HB2 LYS 64 HB2 LYS 64 -22.849 19.604 -10.415 573 HB3 LYS 64 HB3 LYS 64 -24.456 19.143 -10.966 574 HG2 LYS 64 HG2 LYS 64 -22.585 20.455 -12.914 575 HG3 LYS 64 HG3 LYS 64 -22.345 18.755 -12.527 576 HD2 LYS 64 HD2 LYS 64 -24.768 18.351 -13.074 577 HD3 LYS 64 HD3 LYS 64 -24.887 20.027 -13.598 578 HE2 LYS 64 HE2 LYS 64 -24.414 18.919 -15.612 579 HE3 LYS 64 HE3 LYS 64 -22.814 19.435 -15.094 580 HZ1 LYS 64 HZ1 LYS 64 -22.229 17.326 -14.470 581 HZ2 LYS 64 HZ2 LYS 64 -23.211 17.003 -15.818 582 HZ3 LYS 64 HZ3 LYS 64 -23.832 16.813 -14.249 583 H VAL 65 H VAL 65 -23.922 22.402 -8.793 584 HA VAL 65 HA VAL 65 -26.790 21.899 -8.134 585 HB VAL 65 HB VAL 65 -25.588 20.198 -6.890 586 HG11 VAL 65 HG11 VAL 65 -23.344 21.533 -7.247 587 HG12 VAL 65 HG12 VAL 65 -23.506 20.482 -5.847 588 HG13 VAL 65 HG13 VAL 65 -23.709 22.218 -5.672 589 HG21 VAL 65 HG21 VAL 65 -27.162 21.953 -5.643 590 HG22 VAL 65 HG22 VAL 65 -25.676 22.330 -4.783 591 HG23 VAL 65 HG23 VAL 65 -26.321 20.694 -4.746 592 H ILE 66 H ILE 66 -27.236 24.041 -8.595 593 HA ILE 66 HA ILE 66 -26.903 25.857 -6.379 594 HB ILE 66 HB ILE 66 -24.657 26.161 -7.310 595 HG12 ILE 66 HG12 ILE 66 -24.744 28.528 -7.975 596 HG13 ILE 66 HG13 ILE 66 -26.472 28.397 -8.284 597 HG21 ILE 66 HG21 ILE 66 -26.159 26.574 -9.951 598 HG22 ILE 66 HG22 ILE 66 -25.107 25.216 -9.565 599 HG23 ILE 66 HG23 ILE 66 -24.429 26.831 -9.744 600 HD11 ILE 66 HD11 ILE 66 -27.004 28.361 -6.044 601 HD12 ILE 66 HD12 ILE 66 -25.478 29.228 -5.910 602 HD13 ILE 66 HD13 ILE 66 -25.536 27.495 -5.603 603 H ASN 67 H ASN 67 -27.838 25.186 -9.653 604 HA ASN 67 HA ASN 67 -29.357 27.606 -10.082 605 HB2 ASN 67 HB2 ASN 67 -28.617 26.148 -11.959 606 HB3 ASN 67 HB3 ASN 67 -29.588 24.817 -11.331 607 HD21 ASN 67 HD21 ASN 67 -29.900 28.183 -12.544 608 HD22 ASN 67 HD22 ASN 67 -31.469 27.980 -13.158 609 H LYS 68 H LYS 68 -30.138 24.390 -8.846 610 HA LYS 68 HA LYS 68 -32.984 24.919 -8.673 611 HB2 LYS 68 HB2 LYS 68 -31.163 22.851 -7.347 612 HB3 LYS 68 HB3 LYS 68 -32.914 22.844 -7.173 613 HG2 LYS 68 HG2 LYS 68 -31.984 23.079 -9.965 614 HG3 LYS 68 HG3 LYS 68 -31.545 21.562 -9.188 615 HD2 LYS 68 HD2 LYS 68 -34.349 22.625 -8.909 616 HD3 LYS 68 HD3 LYS 68 -33.884 21.764 -10.372 617 HE2 LYS 68 HE2 LYS 68 -33.311 20.618 -7.637 618 HE3 LYS 68 HE3 LYS 68 -34.866 20.368 -8.420 619 HZ1 LYS 68 HZ1 LYS 68 -32.951 19.817 -10.326 620 HZ2 LYS 68 HZ2 LYS 68 -33.945 18.707 -9.512 621 HZ3 LYS 68 HZ3 LYS 68 -32.404 19.073 -8.901 622 H LEU 69 H LEU 69 -30.275 25.115 -6.407 623 HA LEU 69 HA LEU 69 -31.995 25.814 -4.163 624 HB2 LEU 69 HB2 LEU 69 -28.989 25.900 -4.666 625 HB3 LEU 69 HB3 LEU 69 -29.687 26.492 -3.161 626 HG LEU 69 HG LEU 69 -30.881 24.209 -3.017 627 HD11 LEU 69 HD11 LEU 69 -29.475 22.419 -4.238 628 HD12 LEU 69 HD12 LEU 69 -28.884 23.740 -5.241 629 HD13 LEU 69 HD13 LEU 69 -30.601 23.350 -5.222 630 HD21 LEU 69 HD21 LEU 69 -29.084 24.658 -1.499 631 HD22 LEU 69 HD22 LEU 69 -27.880 24.552 -2.780 632 HD23 LEU 69 HD23 LEU 69 -28.705 23.099 -2.224 633 H LYS 70 H LYS 70 -31.096 27.923 -2.929 634 HA LYS 70 HA LYS 70 -30.940 30.176 -4.865 635 HB2 LYS 70 HB2 LYS 70 -33.364 29.795 -4.274 636 HB3 LYS 70 HB3 LYS 70 -32.961 29.987 -2.573 637 HG2 LYS 70 HG2 LYS 70 -33.603 32.165 -3.079 638 HG3 LYS 70 HG3 LYS 70 -31.883 32.268 -3.435 639 HD2 LYS 70 HD2 LYS 70 -32.351 31.774 -5.819 640 HD3 LYS 70 HD3 LYS 70 -34.071 31.689 -5.459 641 HE2 LYS 70 HE2 LYS 70 -33.922 34.051 -4.576 642 HE3 LYS 70 HE3 LYS 70 -32.268 34.111 -5.171 643 HZ1 LYS 70 HZ1 LYS 70 -33.012 33.811 -7.383 644 HZ2 LYS 70 HZ2 LYS 70 -33.962 35.043 -6.703 645 HZ3 LYS 70 HZ3 LYS 70 -34.602 33.481 -6.884 646 H THR 71 H THR 71 -29.346 31.463 -4.266 647 HA THR 71 HA THR 71 -28.036 31.202 -1.713 648 HB THR 71 HB THR 71 -26.668 33.159 -2.536 649 HG1 THR 71 HG1 THR 71 -28.033 33.400 -4.865 650 HG21 THR 71 HG21 THR 71 -27.504 31.523 -4.990 651 HG22 THR 71 HG22 THR 71 -26.481 30.822 -3.740 652 HG23 THR 71 HG23 THR 71 -25.918 32.215 -4.660 653 H THR 72 H THR 72 -27.547 33.408 -0.518 654 HA THR 72 HA THR 72 -29.999 35.045 -0.258 655 HB THR 72 HB THR 72 -28.753 33.564 2.142 656 HG1 THR 72 HG1 THR 72 -30.778 33.060 0.280 657 HG21 THR 72 HG21 THR 72 -31.239 35.305 1.686 658 HG22 THR 72 HG22 THR 72 -29.984 35.556 2.896 659 HG23 THR 72 HG23 THR 72 -31.110 34.212 3.061 660 H SER 73 H SER 73 -29.164 37.009 -0.516 661 HA SER 73 HA SER 73 -27.626 38.791 -0.396 662 HB2 SER 73 HB2 SER 73 -27.253 39.466 1.983 663 HB3 SER 73 HB3 SER 73 -28.899 38.827 1.821 664 HG SER 73 HG SER 73 -28.287 37.393 3.228 Start of MODEL 3 1 HA MET 1 HA MET 1 -26.592 -3.383 -7.660 2 H SER 2 H SER 2 -24.403 -5.293 -8.757 3 HA SER 2 HA SER 2 -22.198 -4.991 -9.486 4 HB2 SER 2 HB2 SER 2 -23.275 -2.923 -11.446 5 HB3 SER 2 HB3 SER 2 -22.053 -4.179 -11.724 6 HG SER 2 HG SER 2 -23.669 -5.735 -11.488 7 H HIS 3 H HIS 3 -20.637 -3.052 -10.222 8 HA HIS 3 HA HIS 3 -21.201 -0.535 -8.845 9 HB2 HIS 3 HB2 HIS 3 -19.383 -2.671 -7.686 10 HB3 HIS 3 HB3 HIS 3 -18.998 -0.974 -7.412 11 HD1 HIS 3 HD1 HIS 3 -20.579 -3.378 -5.678 12 HD2 HIS 3 HD2 HIS 3 -21.814 0.344 -6.709 13 HE1 HIS 3 HE1 HIS 3 -22.331 -2.850 -4.091 14 H MET 4 H MET 4 -19.886 1.087 -9.547 15 HA MET 4 HA MET 4 -18.263 0.529 -11.890 16 HB2 MET 4 HB2 MET 4 -18.423 3.112 -10.260 17 HB3 MET 4 HB3 MET 4 -17.943 2.961 -11.946 18 HG2 MET 4 HG2 MET 4 -20.207 2.049 -12.457 19 HG3 MET 4 HG3 MET 4 -20.666 2.326 -10.798 20 HE1 MET 4 HE1 MET 4 -21.596 5.352 -10.087 21 HE2 MET 4 HE2 MET 4 -19.947 5.914 -10.367 22 HE3 MET 4 HE3 MET 4 -20.228 4.315 -9.680 23 H LEU 5 H LEU 5 -16.080 0.483 -12.084 24 HA LEU 5 HA LEU 5 -13.835 0.341 -11.433 25 HB2 LEU 5 HB2 LEU 5 -14.857 2.603 -10.160 26 HB3 LEU 5 HB3 LEU 5 -14.215 1.675 -8.809 27 HG LEU 5 HG LEU 5 -12.100 1.376 -10.294 28 HD11 LEU 5 HD11 LEU 5 -13.569 3.638 -11.677 29 HD12 LEU 5 HD12 LEU 5 -12.933 2.165 -12.404 30 HD13 LEU 5 HD13 LEU 5 -11.829 3.410 -11.825 31 HD21 LEU 5 HD21 LEU 5 -11.193 3.516 -9.479 32 HD22 LEU 5 HD22 LEU 5 -12.229 2.798 -8.249 33 HD23 LEU 5 HD23 LEU 5 -12.824 4.131 -9.234 34 H GLU 6 H GLU 6 -12.482 -0.855 -10.026 35 HA GLU 6 HA GLU 6 -13.840 -3.052 -8.719 36 HB2 GLU 6 HB2 GLU 6 -11.010 -2.188 -9.226 37 HB3 GLU 6 HB3 GLU 6 -11.250 -3.272 -7.861 38 HG2 GLU 6 HG2 GLU 6 -12.456 -4.858 -9.332 39 HG3 GLU 6 HG3 GLU 6 -12.211 -3.774 -10.698 40 H GLY 7 H GLY 7 -12.118 -0.186 -7.603 41 HA2 GLY 7 HA2 GLY 7 -13.348 0.620 -5.415 42 HA3 GLY 7 HA3 GLY 7 -12.746 -0.911 -4.785 43 H ARG 8 H ARG 8 -10.326 -0.601 -6.552 44 HA ARG 8 HA ARG 8 -8.115 0.065 -6.158 45 HB2 ARG 8 HB2 ARG 8 -9.348 2.139 -7.163 46 HB3 ARG 8 HB3 ARG 8 -9.359 2.776 -5.524 47 HG2 ARG 8 HG2 ARG 8 -6.723 1.755 -6.198 48 HG3 ARG 8 HG3 ARG 8 -7.245 2.943 -7.386 49 HD2 ARG 8 HD2 ARG 8 -7.382 3.394 -4.387 50 HD3 ARG 8 HD3 ARG 8 -6.051 3.950 -5.401 51 HE ARG 8 HE ARG 8 -8.437 4.904 -6.582 52 HH11 ARG 8 HH11 ARG 8 -7.848 4.883 -3.316 53 HH12 ARG 8 HH12 ARG 8 -7.812 6.601 -3.102 54 HH21 ARG 8 HH21 ARG 8 -7.872 7.230 -6.553 55 HH22 ARG 8 HH22 ARG 8 -7.831 7.967 -4.986 56 H LYS 9 H LYS 9 -7.800 -1.122 -4.239 57 HA LYS 9 HA LYS 9 -8.366 0.201 -1.669 58 HB2 LYS 9 HB2 LYS 9 -6.802 -2.373 -2.169 59 HB3 LYS 9 HB3 LYS 9 -7.621 -1.896 -0.685 60 HG2 LYS 9 HG2 LYS 9 -9.790 -2.106 -1.728 61 HG3 LYS 9 HG3 LYS 9 -9.065 -2.320 -3.317 62 HD2 LYS 9 HD2 LYS 9 -7.897 -4.388 -2.339 63 HD3 LYS 9 HD3 LYS 9 -8.990 -4.228 -0.968 64 HE2 LYS 9 HE2 LYS 9 -10.182 -5.678 -2.378 65 HE3 LYS 9 HE3 LYS 9 -10.860 -4.112 -2.804 66 HZ1 LYS 9 HZ1 LYS 9 -9.989 -5.773 -4.615 67 HZ2 LYS 9 HZ2 LYS 9 -8.505 -5.023 -4.272 68 HZ3 LYS 9 HZ3 LYS 9 -9.824 -4.093 -4.802 69 H LYS 10 H LYS 10 -5.850 -1.257 -0.667 70 HA LYS 10 HA LYS 10 -3.758 -0.483 0.065 71 HB2 LYS 10 HB2 LYS 10 -3.649 0.263 -2.900 72 HB3 LYS 10 HB3 LYS 10 -2.249 0.124 -1.844 73 HG2 LYS 10 HG2 LYS 10 -2.769 -2.249 -1.437 74 HG3 LYS 10 HG3 LYS 10 -4.204 -2.119 -2.448 75 HD2 LYS 10 HD2 LYS 10 -2.825 -1.578 -4.398 76 HD3 LYS 10 HD3 LYS 10 -1.372 -1.586 -3.404 77 HE2 LYS 10 HE2 LYS 10 -1.660 -3.731 -4.629 78 HE3 LYS 10 HE3 LYS 10 -1.713 -3.965 -2.886 79 HZ1 LYS 10 HZ1 LYS 10 -3.903 -4.075 -4.839 80 HZ2 LYS 10 HZ2 LYS 10 -4.242 -3.665 -3.226 81 HZ3 LYS 10 HZ3 LYS 10 -3.517 -5.158 -3.589 82 H ARG 11 H ARG 11 -2.606 1.809 -1.764 83 HA ARG 11 HA ARG 11 -2.997 3.905 0.104 84 HB2 ARG 11 HB2 ARG 11 -2.136 3.816 -2.815 85 HB3 ARG 11 HB3 ARG 11 -2.272 5.356 -1.974 86 HG2 ARG 11 HG2 ARG 11 -0.573 4.808 -0.434 87 HG3 ARG 11 HG3 ARG 11 -0.722 3.082 -0.741 88 HD2 ARG 11 HD2 ARG 11 0.321 3.284 -2.899 89 HD3 ARG 11 HD3 ARG 11 0.197 5.043 -2.867 90 HE ARG 11 HE ARG 11 2.150 5.098 -1.538 91 HH11 ARG 11 HH11 ARG 11 0.557 2.069 -1.393 92 HH12 ARG 11 HH12 ARG 11 1.876 1.238 -0.638 93 HH21 ARG 11 HH21 ARG 11 3.944 4.067 -0.673 94 HH22 ARG 11 HH22 ARG 11 3.845 2.398 -0.226 95 H VAL 12 H VAL 12 -4.933 4.718 0.596 96 HA VAL 12 HA VAL 12 -6.446 6.171 -1.373 97 HB VAL 12 HB VAL 12 -7.190 3.936 -2.051 98 HG11 VAL 12 HG11 VAL 12 -8.525 3.062 0.349 99 HG12 VAL 12 HG12 VAL 12 -6.832 3.376 0.719 100 HG13 VAL 12 HG13 VAL 12 -7.259 2.242 -0.558 101 HG21 VAL 12 HG21 VAL 12 -8.897 5.852 -1.707 102 HG22 VAL 12 HG22 VAL 12 -9.397 4.980 -0.264 103 HG23 VAL 12 HG23 VAL 12 -9.544 4.221 -1.843 104 HA PRO 13 HA PRO 13 -7.098 7.530 2.931 105 HB2 PRO 13 HB2 PRO 13 -7.628 10.181 1.857 106 HB3 PRO 13 HB3 PRO 13 -6.236 9.665 2.809 107 HG2 PRO 13 HG2 PRO 13 -6.270 10.299 0.003 108 HG3 PRO 13 HG3 PRO 13 -4.907 9.667 0.929 109 HD2 PRO 13 HD2 PRO 13 -6.596 8.271 -0.998 110 HD3 PRO 13 HD3 PRO 13 -5.124 7.682 -0.203 111 H TYR 14 H TYR 14 -8.866 9.545 0.625 112 HA TYR 14 HA TYR 14 -11.161 10.016 0.524 113 HB2 TYR 14 HB2 TYR 14 -10.708 7.531 -0.401 114 HB3 TYR 14 HB3 TYR 14 -11.637 7.056 1.010 115 HD1 TYR 14 HD1 TYR 14 -13.495 9.518 1.069 116 HD2 TYR 14 HD2 TYR 14 -12.290 6.946 -2.099 117 HE1 TYR 14 HE1 TYR 14 -15.570 10.024 -0.130 118 HE2 TYR 14 HE2 TYR 14 -14.366 7.456 -3.298 119 HH TYR 14 HH TYR 14 -16.481 8.313 -3.034 120 H THR 15 H THR 15 -11.062 11.111 2.622 121 HA THR 15 HA THR 15 -12.609 9.590 4.706 122 HB THR 15 HB THR 15 -11.308 11.316 6.297 123 HG1 THR 15 HG1 THR 15 -9.218 11.103 4.598 124 HG21 THR 15 HG21 THR 15 -9.574 9.673 6.630 125 HG22 THR 15 HG22 THR 15 -9.517 9.266 4.918 126 HG23 THR 15 HG23 THR 15 -10.858 8.704 5.911 127 H LYS 16 H LYS 16 -13.362 11.413 6.399 128 HA LYS 16 HA LYS 16 -15.117 13.128 4.770 129 HB2 LYS 16 HB2 LYS 16 -15.859 13.678 7.316 130 HB3 LYS 16 HB3 LYS 16 -16.393 12.208 6.508 131 HG2 LYS 16 HG2 LYS 16 -14.698 10.894 7.564 132 HG3 LYS 16 HG3 LYS 16 -13.827 12.324 8.107 133 HD2 LYS 16 HD2 LYS 16 -15.695 12.922 9.593 134 HD3 LYS 16 HD3 LYS 16 -16.611 11.531 9.024 135 HE2 LYS 16 HE2 LYS 16 -13.848 11.150 10.161 136 HE3 LYS 16 HE3 LYS 16 -15.226 11.321 11.242 137 HZ1 LYS 16 HZ1 LYS 16 -16.287 9.515 9.843 138 HZ2 LYS 16 HZ2 LYS 16 -15.024 9.048 10.879 139 HZ3 LYS 16 HZ3 LYS 16 -14.735 9.232 9.215 140 H VAL 17 H VAL 17 -12.253 13.337 6.604 141 HA VAL 17 HA VAL 17 -12.495 16.192 7.186 142 HB VAL 17 HB VAL 17 -11.153 14.557 8.603 143 HG11 VAL 17 HG11 VAL 17 -10.306 13.234 6.657 144 HG12 VAL 17 HG12 VAL 17 -9.009 13.753 7.729 145 HG13 VAL 17 HG13 VAL 17 -9.287 14.597 6.208 146 HG21 VAL 17 HG21 VAL 17 -9.309 16.607 7.373 147 HG22 VAL 17 HG22 VAL 17 -9.400 16.089 9.054 148 HG23 VAL 17 HG23 VAL 17 -10.676 17.090 8.371 149 H GLN 18 H GLN 18 -11.541 14.177 4.663 150 HA GLN 18 HA GLN 18 -9.714 16.053 3.378 151 HB2 GLN 18 HB2 GLN 18 -10.453 13.310 3.174 152 HB3 GLN 18 HB3 GLN 18 -10.890 14.039 1.641 153 HG2 GLN 18 HG2 GLN 18 -8.603 15.033 1.503 154 HG3 GLN 18 HG3 GLN 18 -8.184 14.213 3.000 155 HE21 GLN 18 HE21 GLN 18 -10.371 12.526 0.888 156 HE22 GLN 18 HE22 GLN 18 -9.254 11.395 0.290 157 H LEU 19 H LEU 19 -13.006 14.815 2.690 158 HA LEU 19 HA LEU 19 -13.423 16.736 0.553 159 HB2 LEU 19 HB2 LEU 19 -14.794 14.454 1.603 160 HB3 LEU 19 HB3 LEU 19 -15.914 15.800 1.780 161 HG LEU 19 HG LEU 19 -16.134 14.673 -0.437 162 HD11 LEU 19 HD11 LEU 19 -14.928 17.426 -0.844 163 HD12 LEU 19 HD12 LEU 19 -16.471 17.216 -0.026 164 HD13 LEU 19 HD13 LEU 19 -16.280 16.692 -1.695 165 HD21 LEU 19 HD21 LEU 19 -13.375 14.551 -0.279 166 HD22 LEU 19 HD22 LEU 19 -13.634 15.806 -1.486 167 HD23 LEU 19 HD23 LEU 19 -14.321 14.203 -1.719 168 H LYS 20 H LYS 20 -13.813 16.702 3.957 169 HA LYS 20 HA LYS 20 -15.680 18.882 4.094 170 HB2 LYS 20 HB2 LYS 20 -15.460 17.428 6.025 171 HB3 LYS 20 HB3 LYS 20 -13.712 17.635 6.064 172 HG2 LYS 20 HG2 LYS 20 -13.966 19.977 6.681 173 HG3 LYS 20 HG3 LYS 20 -15.714 19.862 6.514 174 HD2 LYS 20 HD2 LYS 20 -14.407 17.866 8.300 175 HD3 LYS 20 HD3 LYS 20 -14.467 19.525 8.884 176 HE2 LYS 20 HE2 LYS 20 -16.815 17.823 7.995 177 HE3 LYS 20 HE3 LYS 20 -16.485 18.393 9.625 178 HZ1 LYS 20 HZ1 LYS 20 -17.209 20.037 7.271 179 HZ2 LYS 20 HZ2 LYS 20 -16.691 20.686 8.753 180 HZ3 LYS 20 HZ3 LYS 20 -18.128 19.784 8.675 181 H GLU 21 H GLU 21 -12.160 18.564 4.493 182 HA GLU 21 HA GLU 21 -11.803 21.393 4.837 183 HB2 GLU 21 HB2 GLU 21 -9.903 19.155 4.006 184 HB3 GLU 21 HB3 GLU 21 -9.367 20.805 4.312 185 HG2 GLU 21 HG2 GLU 21 -11.000 19.297 6.361 186 HG3 GLU 21 HG3 GLU 21 -9.248 19.124 6.289 187 H LEU 22 H LEU 22 -12.442 19.462 2.120 188 HA LEU 22 HA LEU 22 -11.131 21.231 0.193 189 HB2 LEU 22 HB2 LEU 22 -12.335 18.618 0.192 190 HB3 LEU 22 HB3 LEU 22 -13.240 19.581 -0.966 191 HG LEU 22 HG LEU 22 -11.433 18.601 -2.200 192 HD11 LEU 22 HD11 LEU 22 -10.027 21.151 -1.722 193 HD12 LEU 22 HD12 LEU 22 -11.746 21.333 -2.031 194 HD13 LEU 22 HD13 LEU 22 -10.720 20.522 -3.212 195 HD21 LEU 22 HD21 LEU 22 -9.794 19.407 0.202 196 HD22 LEU 22 HD22 LEU 22 -9.022 19.091 -1.348 197 HD23 LEU 22 HD23 LEU 22 -9.939 17.819 -0.545 198 H GLU 23 H GLU 23 -14.375 20.822 1.523 199 HA GLU 23 HA GLU 23 -15.467 22.820 -0.387 200 HB2 GLU 23 HB2 GLU 23 -16.790 21.274 1.900 201 HB3 GLU 23 HB3 GLU 23 -17.639 22.295 0.746 202 HG2 GLU 23 HG2 GLU 23 -17.113 20.839 -1.081 203 HG3 GLU 23 HG3 GLU 23 -15.914 19.964 -0.131 204 H ARG 24 H ARG 24 -14.177 22.596 2.721 205 HA ARG 24 HA ARG 24 -15.509 25.035 3.650 206 HB2 ARG 24 HB2 ARG 24 -15.153 23.681 5.511 207 HB3 ARG 24 HB3 ARG 24 -13.755 22.910 4.814 208 HG2 ARG 24 HG2 ARG 24 -13.558 25.781 5.554 209 HG3 ARG 24 HG3 ARG 24 -13.504 24.580 6.821 210 HD2 ARG 24 HD2 ARG 24 -11.795 23.643 4.760 211 HD3 ARG 24 HD3 ARG 24 -11.404 25.339 5.008 212 HE ARG 24 HE ARG 24 -11.503 23.414 7.296 213 HH11 ARG 24 HH11 ARG 24 -10.843 26.537 6.608 214 HH12 ARG 24 HH12 ARG 24 -9.199 26.547 7.155 215 HH21 ARG 24 HH21 ARG 24 -9.083 23.059 7.490 216 HH22 ARG 24 HH22 ARG 24 -8.176 24.523 7.668 217 H GLU 25 H GLU 25 -12.415 23.930 2.407 218 HA GLU 25 HA GLU 25 -11.055 26.440 2.899 219 HB2 GLU 25 HB2 GLU 25 -10.543 24.044 1.090 220 HB3 GLU 25 HB3 GLU 25 -9.528 25.476 0.988 221 HG2 GLU 25 HG2 GLU 25 -10.044 24.007 3.585 222 HG3 GLU 25 HG3 GLU 25 -8.665 23.666 2.557 223 H TYR 26 H TYR 26 -13.013 25.045 0.349 224 HA TYR 26 HA TYR 26 -12.442 27.145 -1.576 225 HB2 TYR 26 HB2 TYR 26 -13.777 24.659 -1.595 226 HB3 TYR 26 HB3 TYR 26 -15.071 25.822 -1.835 227 HD1 TYR 26 HD1 TYR 26 -14.103 27.900 -3.429 228 HD2 TYR 26 HD2 TYR 26 -12.944 23.813 -3.598 229 HE1 TYR 26 HE1 TYR 26 -13.413 28.196 -5.761 230 HE2 TYR 26 HE2 TYR 26 -12.252 24.108 -5.929 231 HH TYR 26 HH TYR 26 -12.019 27.217 -7.403 232 H ALA 27 H ALA 27 -14.825 26.518 0.900 233 HA ALA 27 HA ALA 27 -16.523 28.741 0.208 234 HB1 ALA 27 HB1 ALA 27 -17.437 28.331 2.555 235 HB2 ALA 27 HB2 ALA 27 -16.164 27.135 2.786 236 HB3 ALA 27 HB3 ALA 27 -17.400 26.880 1.558 237 H THR 28 H THR 28 -13.693 28.311 2.199 238 HA THR 28 HA THR 28 -13.845 30.592 3.831 239 HB THR 28 HB THR 28 -11.412 29.287 2.455 240 HG1 THR 28 HG1 THR 28 -11.328 28.263 4.430 241 HG21 THR 28 HG21 THR 28 -10.605 31.449 3.245 242 HG22 THR 28 HG22 THR 28 -10.291 30.358 4.592 243 HG23 THR 28 HG23 THR 28 -11.691 31.426 4.630 244 H ASN 29 H ASN 29 -12.849 30.178 0.488 245 HA ASN 29 HA ASN 29 -13.481 32.987 -0.010 246 HB2 ASN 29 HB2 ASN 29 -11.195 33.249 0.858 247 HB3 ASN 29 HB3 ASN 29 -10.607 31.964 -0.195 248 HD21 ASN 29 HD21 ASN 29 -12.104 35.225 -0.296 249 HD22 ASN 29 HD22 ASN 29 -11.437 35.658 -1.796 250 H LYS 30 H LYS 30 -11.041 31.223 -1.766 251 HA LYS 30 HA LYS 30 -12.972 30.236 -3.759 252 HB2 LYS 30 HB2 LYS 30 -12.295 32.779 -4.198 253 HB3 LYS 30 HB3 LYS 30 -10.775 32.088 -4.750 254 HG2 LYS 30 HG2 LYS 30 -12.008 30.651 -6.346 255 HG3 LYS 30 HG3 LYS 30 -13.529 31.343 -5.792 256 HD2 LYS 30 HD2 LYS 30 -12.616 33.622 -6.439 257 HD3 LYS 30 HD3 LYS 30 -11.260 32.788 -7.193 258 HE2 LYS 30 HE2 LYS 30 -12.632 31.768 -8.819 259 HE3 LYS 30 HE3 LYS 30 -14.093 32.012 -7.871 260 HZ1 LYS 30 HZ1 LYS 30 -14.044 34.324 -8.319 261 HZ2 LYS 30 HZ2 LYS 30 -13.853 33.521 -9.803 262 HZ3 LYS 30 HZ3 LYS 30 -12.509 34.226 -9.039 263 H PHE 31 H PHE 31 -9.592 31.017 -3.126 264 HA PHE 31 HA PHE 31 -8.901 28.202 -3.511 265 HB2 PHE 31 HB2 PHE 31 -8.686 29.826 -5.742 266 HB3 PHE 31 HB3 PHE 31 -7.082 30.019 -5.025 267 HD1 PHE 31 HD1 PHE 31 -5.913 27.822 -4.238 268 HD2 PHE 31 HD2 PHE 31 -9.150 27.868 -6.989 269 HE1 PHE 31 HE1 PHE 31 -5.437 25.500 -4.823 270 HE2 PHE 31 HE2 PHE 31 -8.622 25.560 -7.625 271 HZ PHE 31 HZ PHE 31 -6.821 24.350 -6.468 272 H ILE 32 H ILE 32 -6.753 27.745 -2.776 273 HA ILE 32 HA ILE 32 -5.858 29.792 -0.802 274 HB ILE 32 HB ILE 32 -4.755 27.236 -0.181 275 HG12 ILE 32 HG12 ILE 32 -6.888 25.908 -0.010 276 HG13 ILE 32 HG13 ILE 32 -7.687 27.125 -0.999 277 HG21 ILE 32 HG21 ILE 32 -6.355 27.466 1.756 278 HG22 ILE 32 HG22 ILE 32 -7.210 28.732 0.884 279 HG23 ILE 32 HG23 ILE 32 -5.555 28.994 1.413 280 HD11 ILE 32 HD11 ILE 32 -5.751 25.023 -1.787 281 HD12 ILE 32 HD12 ILE 32 -5.451 26.603 -2.495 282 HD13 ILE 32 HD13 ILE 32 -6.998 25.811 -2.744 283 H THR 33 H THR 33 -3.611 29.843 -0.282 284 HA THR 33 HA THR 33 -1.957 30.135 -2.610 285 HB THR 33 HB THR 33 -0.945 29.958 0.278 286 HG1 THR 33 HG1 THR 33 -1.583 32.261 0.148 287 HG21 THR 33 HG21 THR 33 0.133 30.845 -2.276 288 HG22 THR 33 HG22 THR 33 0.903 30.970 -0.697 289 HG23 THR 33 HG23 THR 33 -0.133 32.270 -1.277 290 H LYS 34 H LYS 34 0.132 29.114 -2.957 291 HA LYS 34 HA LYS 34 0.017 26.336 -3.266 292 HB2 LYS 34 HB2 LYS 34 2.336 28.278 -3.000 293 HB3 LYS 34 HB3 LYS 34 2.630 26.560 -3.252 294 HG2 LYS 34 HG2 LYS 34 2.580 27.602 -5.433 295 HG3 LYS 34 HG3 LYS 34 1.092 26.684 -5.266 296 HD2 LYS 34 HD2 LYS 34 1.059 29.531 -4.329 297 HD3 LYS 34 HD3 LYS 34 1.109 29.266 -6.066 298 HE2 LYS 34 HE2 LYS 34 -0.846 27.484 -4.872 299 HE3 LYS 34 HE3 LYS 34 -1.170 29.134 -4.378 300 HZ1 LYS 34 HZ1 LYS 34 -0.659 29.470 -6.966 301 HZ2 LYS 34 HZ2 LYS 34 -2.214 29.218 -6.334 302 HZ3 LYS 34 HZ3 LYS 34 -1.344 27.916 -6.993 303 H ASP 35 H ASP 35 1.072 28.176 -0.478 304 HA ASP 35 HA ASP 35 2.106 25.806 0.877 305 HB2 ASP 35 HB2 ASP 35 2.797 28.284 1.295 306 HB3 ASP 35 HB3 ASP 35 1.272 28.451 2.162 307 H LYS 36 H LYS 36 -0.865 27.619 0.709 308 HA LYS 36 HA LYS 36 -2.091 26.200 2.936 309 HB2 LYS 36 HB2 LYS 36 -3.061 28.152 0.831 310 HB3 LYS 36 HB3 LYS 36 -4.181 27.372 1.937 311 HG2 LYS 36 HG2 LYS 36 -3.170 28.353 3.845 312 HG3 LYS 36 HG3 LYS 36 -1.711 28.772 2.957 313 HD2 LYS 36 HD2 LYS 36 -3.363 30.219 1.493 314 HD3 LYS 36 HD3 LYS 36 -4.404 30.106 2.906 315 HE2 LYS 36 HE2 LYS 36 -1.586 31.210 2.793 316 HE3 LYS 36 HE3 LYS 36 -3.062 32.096 3.163 317 HZ1 LYS 36 HZ1 LYS 36 -1.459 30.386 4.849 318 HZ2 LYS 36 HZ2 LYS 36 -3.136 30.153 4.992 319 HZ3 LYS 36 HZ3 LYS 36 -2.467 31.690 5.260 320 H ARG 37 H ARG 37 -2.205 25.990 -0.602 321 HA ARG 37 HA ARG 37 -4.290 23.993 -0.554 322 HB2 ARG 37 HB2 ARG 37 -3.748 23.681 -2.938 323 HB3 ARG 37 HB3 ARG 37 -3.661 25.399 -2.593 324 HG2 ARG 37 HG2 ARG 37 -1.671 25.059 -3.750 325 HG3 ARG 37 HG3 ARG 37 -1.152 24.918 -2.081 326 HD2 ARG 37 HD2 ARG 37 -0.404 22.826 -2.507 327 HD3 ARG 37 HD3 ARG 37 -2.048 22.333 -2.906 328 HE ARG 37 HE ARG 37 -1.394 22.356 -5.162 329 HH11 ARG 37 HH11 ARG 37 1.384 22.882 -3.624 330 HH12 ARG 37 HH12 ARG 37 2.081 24.007 -4.742 331 HH21 ARG 37 HH21 ARG 37 -0.935 24.466 -6.470 332 HH22 ARG 37 HH22 ARG 37 0.733 24.928 -6.397 333 H ARG 38 H ARG 38 -0.869 24.060 -0.306 334 HA ARG 38 HA ARG 38 -0.472 21.237 -0.674 335 HB2 ARG 38 HB2 ARG 38 1.456 22.644 -1.056 336 HB3 ARG 38 HB3 ARG 38 1.221 23.502 0.463 337 HG2 ARG 38 HG2 ARG 38 1.859 21.564 1.748 338 HG3 ARG 38 HG3 ARG 38 1.821 20.533 0.322 339 HD2 ARG 38 HD2 ARG 38 3.582 22.443 -0.505 340 HD3 ARG 38 HD3 ARG 38 3.919 22.428 1.226 341 HE ARG 38 HE ARG 38 3.988 19.928 -0.423 342 HH11 ARG 38 HH11 ARG 38 6.035 22.217 0.754 343 HH12 ARG 38 HH12 ARG 38 6.978 21.170 1.761 344 HH21 ARG 38 HH21 ARG 38 4.776 18.472 1.366 345 HH22 ARG 38 HH22 ARG 38 6.253 18.992 2.109 346 H ARG 39 H ARG 39 -1.301 23.374 1.924 347 HA ARG 39 HA ARG 39 -0.544 21.670 4.099 348 HB2 ARG 39 HB2 ARG 39 -2.216 24.083 3.678 349 HB3 ARG 39 HB3 ARG 39 -2.879 23.023 4.908 350 HG2 ARG 39 HG2 ARG 39 -1.081 23.330 6.322 351 HG3 ARG 39 HG3 ARG 39 0.055 23.565 4.998 352 HD2 ARG 39 HD2 ARG 39 -0.599 25.811 4.671 353 HD3 ARG 39 HD3 ARG 39 -2.120 25.590 5.535 354 HE ARG 39 HE ARG 39 -0.957 25.947 7.563 355 HH11 ARG 39 HH11 ARG 39 1.099 25.305 4.898 356 HH12 ARG 39 HH12 ARG 39 2.564 25.663 5.748 357 HH21 ARG 39 HH21 ARG 39 0.880 26.430 8.727 358 HH22 ARG 39 HH22 ARG 39 2.437 26.320 7.977 359 H ILE 40 H ILE 40 -3.425 22.103 2.143 360 HA ILE 40 HA ILE 40 -5.067 20.212 3.443 361 HB ILE 40 HB ILE 40 -4.818 20.748 0.442 362 HG12 ILE 40 HG12 ILE 40 -6.668 22.133 2.415 363 HG13 ILE 40 HG13 ILE 40 -5.130 22.812 1.912 364 HG21 ILE 40 HG21 ILE 40 -7.223 19.946 2.120 365 HG22 ILE 40 HG22 ILE 40 -6.209 18.783 1.271 366 HG23 ILE 40 HG23 ILE 40 -7.125 19.980 0.367 367 HD11 ILE 40 HD11 ILE 40 -7.503 22.156 0.129 368 HD12 ILE 40 HD12 ILE 40 -5.922 22.598 -0.495 369 HD13 ILE 40 HD13 ILE 40 -6.836 23.751 0.460 370 H SER 41 H SER 41 -3.475 19.645 0.286 371 HA SER 41 HA SER 41 -3.507 16.885 0.215 372 HB2 SER 41 HB2 SER 41 -0.876 17.394 -0.588 373 HB3 SER 41 HB3 SER 41 -2.281 17.682 -1.606 374 HG SER 41 HG SER 41 -1.325 19.634 -1.455 375 H ALA 42 H ALA 42 -1.351 18.862 2.202 376 HA ALA 42 HA ALA 42 0.253 16.611 3.114 377 HB1 ALA 42 HB1 ALA 42 1.224 18.855 3.176 378 HB2 ALA 42 HB2 ALA 42 1.027 18.335 4.847 379 HB3 ALA 42 HB3 ALA 42 -0.119 19.468 4.137 380 H THR 43 H THR 43 -2.649 18.213 4.154 381 HA THR 43 HA THR 43 -2.624 16.762 6.734 382 HB THR 43 HB THR 43 -4.167 19.043 5.493 383 HG1 THR 43 HG1 THR 43 -2.777 18.263 7.721 384 HG21 THR 43 HG21 THR 43 -5.911 18.658 7.394 385 HG22 THR 43 HG22 THR 43 -5.334 16.996 7.453 386 HG23 THR 43 HG23 THR 43 -6.099 17.611 5.991 387 H THR 44 H THR 44 -4.005 16.762 3.599 388 HA THR 44 HA THR 44 -5.933 14.651 4.272 389 HB THR 44 HB THR 44 -6.489 15.031 1.768 390 HG1 THR 44 HG1 THR 44 -5.337 17.096 1.205 391 HG21 THR 44 HG21 THR 44 -7.421 16.524 3.745 392 HG22 THR 44 HG22 THR 44 -7.478 17.219 2.129 393 HG23 THR 44 HG23 THR 44 -6.193 17.680 3.242 394 H ASN 45 H ASN 45 -2.752 15.025 3.201 395 HA ASN 45 HA ASN 45 -1.129 13.456 2.620 396 HB2 ASN 45 HB2 ASN 45 -2.781 12.003 4.147 397 HB3 ASN 45 HB3 ASN 45 -3.186 11.229 2.621 398 HD21 ASN 45 HD21 ASN 45 -0.117 12.394 4.142 399 HD22 ASN 45 HD22 ASN 45 0.746 10.963 3.836 400 H LEU 46 H LEU 46 -1.682 14.784 0.509 401 HA LEU 46 HA LEU 46 -2.226 12.737 -1.637 402 HB2 LEU 46 HB2 LEU 46 -2.822 15.666 -2.064 403 HB3 LEU 46 HB3 LEU 46 -3.503 14.289 -2.895 404 HG LEU 46 HG LEU 46 -4.045 14.770 0.037 405 HD11 LEU 46 HD11 LEU 46 -5.666 16.320 -0.437 406 HD12 LEU 46 HD12 LEU 46 -6.099 15.538 -1.951 407 HD13 LEU 46 HD13 LEU 46 -4.717 16.608 -1.877 408 HD21 LEU 46 HD21 LEU 46 -5.487 13.305 -2.197 409 HD22 LEU 46 HD22 LEU 46 -6.067 13.439 -0.541 410 HD23 LEU 46 HD23 LEU 46 -4.588 12.552 -0.884 411 H SER 47 H SER 47 -1.706 15.521 -3.224 412 HA SER 47 HA SER 47 1.214 15.652 -2.918 413 HB2 SER 47 HB2 SER 47 0.481 13.672 -4.545 414 HB3 SER 47 HB3 SER 47 0.183 14.987 -5.699 415 HG SER 47 HG SER 47 2.374 14.278 -5.738 416 H GLU 48 H GLU 48 -1.092 17.508 -2.781 417 HA GLU 48 HA GLU 48 -1.540 19.729 -3.282 418 HB2 GLU 48 HB2 GLU 48 0.984 19.706 -4.998 419 HB3 GLU 48 HB3 GLU 48 0.278 21.056 -4.129 420 HG2 GLU 48 HG2 GLU 48 0.894 20.125 -1.993 421 HG3 GLU 48 HG3 GLU 48 1.357 18.593 -2.723 422 H ARG 49 H ARG 49 0.045 18.407 -6.141 423 HA ARG 49 HA ARG 49 -1.509 19.645 -8.070 424 HB2 ARG 49 HB2 ARG 49 0.325 18.316 -8.889 425 HB3 ARG 49 HB3 ARG 49 -0.124 16.932 -7.905 426 HG2 ARG 49 HG2 ARG 49 -0.659 16.430 -10.220 427 HG3 ARG 49 HG3 ARG 49 -2.170 16.642 -9.355 428 HD2 ARG 49 HD2 ARG 49 -2.331 18.960 -10.174 429 HD3 ARG 49 HD3 ARG 49 -0.784 18.786 -10.999 430 HE ARG 49 HE ARG 49 -3.320 17.817 -11.985 431 HH11 ARG 49 HH11 ARG 49 -1.680 15.342 -11.477 432 HH12 ARG 49 HH12 ARG 49 -0.868 15.135 -12.993 433 HH21 ARG 49 HH21 ARG 49 -1.575 18.401 -14.048 434 HH22 ARG 49 HH22 ARG 49 -0.809 16.912 -14.487 435 H GLN 50 H GLN 50 -2.145 16.909 -6.047 436 HA GLN 50 HA GLN 50 -4.555 16.045 -7.286 437 HB2 GLN 50 HB2 GLN 50 -3.685 15.889 -4.356 438 HB3 GLN 50 HB3 GLN 50 -4.925 14.892 -5.103 439 HG2 GLN 50 HG2 GLN 50 -2.250 14.902 -6.420 440 HG3 GLN 50 HG3 GLN 50 -2.362 14.075 -4.869 441 HE21 GLN 50 HE21 GLN 50 -3.815 14.177 -8.139 442 HE22 GLN 50 HE22 GLN 50 -4.388 12.580 -8.110 443 H VAL 51 H VAL 51 -3.892 18.136 -4.454 444 HA VAL 51 HA VAL 51 -6.598 18.798 -3.931 445 HB VAL 51 HB VAL 51 -4.322 20.784 -3.649 446 HG11 VAL 51 HG11 VAL 51 -7.074 20.567 -2.768 447 HG12 VAL 51 HG12 VAL 51 -5.964 21.918 -2.573 448 HG13 VAL 51 HG13 VAL 51 -6.009 20.633 -1.379 449 HG21 VAL 51 HG21 VAL 51 -3.848 18.353 -2.822 450 HG22 VAL 51 HG22 VAL 51 -4.986 18.734 -1.544 451 HG23 VAL 51 HG23 VAL 51 -3.516 19.686 -1.735 452 H THR 52 H THR 52 -4.151 20.482 -5.760 453 HA THR 52 HA THR 52 -5.595 22.592 -6.807 454 HB THR 52 HB THR 52 -3.692 20.733 -8.292 455 HG1 THR 52 HG1 THR 52 -2.137 22.086 -7.322 456 HG21 THR 52 HG21 THR 52 -3.212 22.552 -9.704 457 HG22 THR 52 HG22 THR 52 -3.631 23.731 -8.464 458 HG23 THR 52 HG23 THR 52 -4.901 22.911 -9.365 459 H ILE 53 H ILE 53 -5.344 19.288 -7.885 460 HA ILE 53 HA ILE 53 -7.192 19.571 -10.092 461 HB ILE 53 HB ILE 53 -5.746 17.348 -8.634 462 HG12 ILE 53 HG12 ILE 53 -4.466 17.199 -10.501 463 HG13 ILE 53 HG13 ILE 53 -5.835 17.362 -11.579 464 HG21 ILE 53 HG21 ILE 53 -7.879 16.313 -8.921 465 HG22 ILE 53 HG22 ILE 53 -6.933 15.769 -10.305 466 HG23 ILE 53 HG23 ILE 53 -8.117 17.056 -10.498 467 HD11 ILE 53 HD11 ILE 53 -5.712 19.713 -11.597 468 HD12 ILE 53 HD12 ILE 53 -4.022 19.256 -11.524 469 HD13 ILE 53 HD13 ILE 53 -4.844 19.771 -10.072 470 H TRP 54 H TRP 54 -7.366 19.001 -6.732 471 HA TRP 54 HA TRP 54 -9.950 17.715 -6.735 472 HB2 TRP 54 HB2 TRP 54 -8.058 17.846 -4.881 473 HB3 TRP 54 HB3 TRP 54 -8.843 19.344 -4.412 474 HD1 TRP 54 HD1 TRP 54 -11.770 17.985 -5.310 475 HE1 TRP 54 HE1 TRP 54 -12.639 16.101 -3.872 476 HE3 TRP 54 HE3 TRP 54 -7.735 17.394 -2.488 477 HZ2 TRP 54 HZ2 TRP 54 -11.682 14.553 -1.569 478 HZ3 TRP 54 HZ3 TRP 54 -7.752 15.780 -0.598 479 HH2 TRP 54 HH2 TRP 54 -9.710 14.374 -0.167 480 H PHE 55 H PHE 55 -8.691 20.966 -6.096 481 HA PHE 55 HA PHE 55 -11.223 22.143 -5.579 482 HB2 PHE 55 HB2 PHE 55 -8.602 23.129 -6.678 483 HB3 PHE 55 HB3 PHE 55 -9.999 24.202 -6.722 484 HD1 PHE 55 HD1 PHE 55 -8.402 21.815 -4.340 485 HD2 PHE 55 HD2 PHE 55 -10.355 25.548 -4.844 486 HE1 PHE 55 HE1 PHE 55 -8.165 22.240 -1.958 487 HE2 PHE 55 HE2 PHE 55 -10.131 25.962 -2.447 488 HZ PHE 55 HZ PHE 55 -9.024 24.331 -0.996 489 H GLN 56 H GLN 56 -9.551 21.724 -8.696 490 HA GLN 56 HA GLN 56 -11.531 23.007 -10.285 491 HB2 GLN 56 HB2 GLN 56 -9.641 20.692 -10.861 492 HB3 GLN 56 HB3 GLN 56 -10.594 21.478 -12.106 493 HG2 GLN 56 HG2 GLN 56 -9.552 23.682 -11.341 494 HG3 GLN 56 HG3 GLN 56 -8.430 22.715 -10.386 495 HE21 GLN 56 HE21 GLN 56 -8.878 20.641 -12.784 496 HE22 GLN 56 HE22 GLN 56 -7.737 21.175 -13.921 497 H ASN 57 H ASN 57 -11.319 19.752 -8.982 498 HA ASN 57 HA ASN 57 -13.524 18.706 -10.537 499 HB2 ASN 57 HB2 ASN 57 -11.826 17.822 -8.224 500 HB3 ASN 57 HB3 ASN 57 -13.440 17.118 -8.289 501 HD21 ASN 57 HD21 ASN 57 -13.336 15.134 -9.320 502 HD22 ASN 57 HD22 ASN 57 -12.395 14.787 -10.689 503 H ARG 58 H ARG 58 -13.057 20.012 -7.338 504 HA ARG 58 HA ARG 58 -15.699 19.715 -6.404 505 HB2 ARG 58 HB2 ARG 58 -13.258 20.935 -5.574 506 HB3 ARG 58 HB3 ARG 58 -14.447 22.218 -5.559 507 HG2 ARG 58 HG2 ARG 58 -15.005 19.520 -4.308 508 HG3 ARG 58 HG3 ARG 58 -14.210 20.802 -3.404 509 HD2 ARG 58 HD2 ARG 58 -16.718 21.521 -4.856 510 HD3 ARG 58 HD3 ARG 58 -16.884 20.528 -3.414 511 HE ARG 58 HE ARG 58 -15.260 22.514 -2.508 512 HH11 ARG 58 HH11 ARG 58 -16.429 23.972 -4.955 513 HH12 ARG 58 HH12 ARG 58 -17.709 24.874 -4.213 514 HH21 ARG 58 HH21 ARG 58 -17.611 22.976 -1.267 515 HH22 ARG 58 HH22 ARG 58 -18.398 24.293 -2.071 516 H ARG 59 H ARG 59 -14.292 21.718 -8.817 517 HA ARG 59 HA ARG 59 -16.534 23.675 -8.709 518 HB2 ARG 59 HB2 ARG 59 -13.927 24.039 -9.370 519 HB3 ARG 59 HB3 ARG 59 -14.523 23.582 -10.962 520 HG2 ARG 59 HG2 ARG 59 -16.339 25.332 -10.679 521 HG3 ARG 59 HG3 ARG 59 -15.500 25.870 -9.228 522 HD2 ARG 59 HD2 ARG 59 -13.399 26.023 -10.755 523 HD3 ARG 59 HD3 ARG 59 -14.545 25.961 -12.091 524 HE ARG 59 HE ARG 59 -15.120 27.982 -10.024 525 HH11 ARG 59 HH11 ARG 59 -15.438 27.449 -13.192 526 HH12 ARG 59 HH12 ARG 59 -14.693 28.903 -13.764 527 HH21 ARG 59 HH21 ARG 59 -13.405 29.718 -10.608 528 HH22 ARG 59 HH22 ARG 59 -13.507 30.221 -12.261 529 H VAL 60 H VAL 60 -15.513 20.822 -10.187 530 HA VAL 60 HA VAL 60 -17.352 21.064 -12.462 531 HB VAL 60 HB VAL 60 -14.922 19.704 -11.904 532 HG11 VAL 60 HG11 VAL 60 -15.404 17.337 -12.133 533 HG12 VAL 60 HG12 VAL 60 -17.123 17.650 -12.349 534 HG13 VAL 60 HG13 VAL 60 -16.366 17.937 -10.788 535 HG21 VAL 60 HG21 VAL 60 -15.734 20.537 -14.108 536 HG22 VAL 60 HG22 VAL 60 -16.894 19.214 -14.173 537 HG23 VAL 60 HG23 VAL 60 -15.166 18.876 -14.217 538 H LYS 61 H LYS 61 -17.297 19.990 -9.256 539 HA LYS 61 HA LYS 61 -19.494 18.060 -9.590 540 HB2 LYS 61 HB2 LYS 61 -17.540 17.763 -7.928 541 HB3 LYS 61 HB3 LYS 61 -18.223 19.101 -7.010 542 HG2 LYS 61 HG2 LYS 61 -20.422 17.457 -7.463 543 HG3 LYS 61 HG3 LYS 61 -19.118 16.312 -7.173 544 HD2 LYS 61 HD2 LYS 61 -18.574 17.368 -5.056 545 HD3 LYS 61 HD3 LYS 61 -19.696 18.687 -5.373 546 HE2 LYS 61 HE2 LYS 61 -21.533 16.904 -5.503 547 HE3 LYS 61 HE3 LYS 61 -20.357 15.778 -4.838 548 HZ1 LYS 61 HZ1 LYS 61 -21.633 18.093 -3.576 549 HZ2 LYS 61 HZ2 LYS 61 -20.073 17.649 -3.071 550 HZ3 LYS 61 HZ3 LYS 61 -21.352 16.537 -2.954 551 H GLU 62 H GLU 62 -18.861 21.310 -8.435 552 HA GLU 62 HA GLU 62 -21.307 21.749 -7.064 553 HB2 GLU 62 HB2 GLU 62 -20.641 24.016 -7.095 554 HB3 GLU 62 HB3 GLU 62 -19.106 23.232 -7.429 555 HG2 GLU 62 HG2 GLU 62 -19.141 24.783 -9.149 556 HG3 GLU 62 HG3 GLU 62 -19.918 23.427 -9.949 557 H LYS 63 H LYS 63 -20.478 21.503 -10.370 558 HA LYS 63 HA LYS 63 -22.673 22.886 -11.518 559 HB2 LYS 63 HB2 LYS 63 -21.198 20.407 -12.530 560 HB3 LYS 63 HB3 LYS 63 -22.200 21.463 -13.522 561 HG2 LYS 63 HG2 LYS 63 -20.486 23.234 -12.250 562 HG3 LYS 63 HG3 LYS 63 -19.449 21.849 -12.584 563 HD2 LYS 63 HD2 LYS 63 -19.272 23.021 -14.593 564 HD3 LYS 63 HD3 LYS 63 -20.608 21.937 -14.961 565 HE2 LYS 63 HE2 LYS 63 -22.234 23.667 -14.462 566 HE3 LYS 63 HE3 LYS 63 -20.976 24.735 -13.852 567 HZ1 LYS 63 HZ1 LYS 63 -21.430 23.872 -16.643 568 HZ2 LYS 63 HZ2 LYS 63 -19.983 24.606 -16.137 569 HZ3 LYS 63 HZ3 LYS 63 -21.452 25.449 -16.013 570 H LYS 64 H LYS 64 -22.369 19.763 -10.043 571 HA LYS 64 HA LYS 64 -24.706 18.543 -11.121 572 HB2 LYS 64 HB2 LYS 64 -23.490 18.290 -8.321 573 HB3 LYS 64 HB3 LYS 64 -24.643 17.160 -9.024 574 HG2 LYS 64 HG2 LYS 64 -22.242 17.756 -10.672 575 HG3 LYS 64 HG3 LYS 64 -21.953 16.833 -9.202 576 HD2 LYS 64 HD2 LYS 64 -24.202 16.078 -11.067 577 HD3 LYS 64 HD3 LYS 64 -22.560 15.529 -11.381 578 HE2 LYS 64 HE2 LYS 64 -23.698 15.189 -8.624 579 HE3 LYS 64 HE3 LYS 64 -24.189 14.068 -9.887 580 HZ1 LYS 64 HZ1 LYS 64 -21.814 14.090 -8.413 581 HZ2 LYS 64 HZ2 LYS 64 -21.418 14.383 -10.038 582 HZ3 LYS 64 HZ3 LYS 64 -22.299 12.993 -9.615 583 H VAL 65 H VAL 65 -24.594 21.436 -9.708 584 HA VAL 65 HA VAL 65 -27.336 21.122 -8.520 585 HB VAL 65 HB VAL 65 -25.400 23.278 -7.624 586 HG11 VAL 65 HG11 VAL 65 -26.737 23.213 -5.609 587 HG12 VAL 65 HG12 VAL 65 -27.524 21.721 -6.113 588 HG13 VAL 65 HG13 VAL 65 -27.854 23.223 -6.971 589 HG21 VAL 65 HG21 VAL 65 -24.579 21.768 -5.853 590 HG22 VAL 65 HG22 VAL 65 -24.179 21.120 -7.440 591 HG23 VAL 65 HG23 VAL 65 -25.526 20.446 -6.526 592 H ILE 66 H ILE 66 -28.587 23.160 -8.524 593 HA ILE 66 HA ILE 66 -29.588 24.871 -9.772 594 HB ILE 66 HB ILE 66 -26.770 25.617 -10.657 595 HG12 ILE 66 HG12 ILE 66 -26.738 24.947 -8.235 596 HG13 ILE 66 HG13 ILE 66 -26.362 26.644 -8.501 597 HG21 ILE 66 HG21 ILE 66 -29.387 27.032 -10.012 598 HG22 ILE 66 HG22 ILE 66 -28.376 27.198 -11.444 599 HG23 ILE 66 HG23 ILE 66 -27.872 27.924 -9.921 600 HD11 ILE 66 HD11 ILE 66 -29.105 25.574 -7.751 601 HD12 ILE 66 HD12 ILE 66 -28.674 27.270 -7.947 602 HD13 ILE 66 HD13 ILE 66 -27.978 26.331 -6.630 603 H ASN 67 H ASN 67 -28.712 22.273 -11.084 604 HA ASN 67 HA ASN 67 -29.127 23.238 -13.879 605 HB2 ASN 67 HB2 ASN 67 -26.953 21.427 -12.792 606 HB3 ASN 67 HB3 ASN 67 -27.542 21.164 -14.432 607 HD21 ASN 67 HD21 ASN 67 -27.687 23.355 -15.753 608 HD22 ASN 67 HD22 ASN 67 -26.361 24.400 -15.581 609 H LYS 68 H LYS 68 -29.278 20.587 -11.563 610 HA LYS 68 HA LYS 68 -31.616 19.532 -13.078 611 HB2 LYS 68 HB2 LYS 68 -29.220 17.922 -12.066 612 HB3 LYS 68 HB3 LYS 68 -30.712 17.195 -12.651 613 HG2 LYS 68 HG2 LYS 68 -29.062 19.131 -14.301 614 HG3 LYS 68 HG3 LYS 68 -28.861 17.385 -14.387 615 HD2 LYS 68 HD2 LYS 68 -31.448 17.349 -14.771 616 HD3 LYS 68 HD3 LYS 68 -31.245 19.048 -15.183 617 HE2 LYS 68 HE2 LYS 68 -30.031 16.637 -16.538 618 HE3 LYS 68 HE3 LYS 68 -31.009 17.911 -17.254 619 HZ1 LYS 68 HZ1 LYS 68 -28.406 18.525 -16.021 620 HZ2 LYS 68 HZ2 LYS 68 -29.268 19.405 -17.191 621 HZ3 LYS 68 HZ3 LYS 68 -28.498 17.952 -17.617 622 H LEU 69 H LEU 69 -29.679 19.204 -10.108 623 HA LEU 69 HA LEU 69 -31.765 17.986 -8.578 624 HB2 LEU 69 HB2 LEU 69 -29.093 19.088 -8.128 625 HB3 LEU 69 HB3 LEU 69 -30.168 19.563 -6.818 626 HG LEU 69 HG LEU 69 -29.801 16.721 -7.828 627 HD11 LEU 69 HD11 LEU 69 -27.884 17.876 -6.513 628 HD12 LEU 69 HD12 LEU 69 -28.466 16.328 -5.908 629 HD13 LEU 69 HD13 LEU 69 -28.982 17.824 -5.137 630 HD21 LEU 69 HD21 LEU 69 -31.798 18.031 -6.157 631 HD22 LEU 69 HD22 LEU 69 -30.958 16.764 -5.268 632 HD23 LEU 69 HD23 LEU 69 -31.781 16.383 -6.777 633 H LYS 70 H LYS 70 -33.453 18.815 -7.497 634 HA LYS 70 HA LYS 70 -33.601 21.737 -7.060 635 HB2 LYS 70 HB2 LYS 70 -34.629 21.296 -9.310 636 HB3 LYS 70 HB3 LYS 70 -35.732 20.140 -8.571 637 HG2 LYS 70 HG2 LYS 70 -36.426 22.090 -7.011 638 HG3 LYS 70 HG3 LYS 70 -35.614 23.134 -8.171 639 HD2 LYS 70 HD2 LYS 70 -37.973 21.303 -8.660 640 HD3 LYS 70 HD3 LYS 70 -37.905 23.048 -8.868 641 HE2 LYS 70 HE2 LYS 70 -36.157 22.694 -10.654 642 HE3 LYS 70 HE3 LYS 70 -36.434 20.964 -10.511 643 HZ1 LYS 70 HZ1 LYS 70 -37.936 22.898 -11.920 644 HZ2 LYS 70 HZ2 LYS 70 -38.923 22.105 -10.787 645 HZ3 LYS 70 HZ3 LYS 70 -38.070 21.206 -11.948 646 H THR 71 H THR 71 -36.485 19.849 -7.094 647 HA THR 71 HA THR 71 -38.012 19.524 -5.326 648 HB THR 71 HB THR 71 -36.643 17.396 -5.353 649 HG1 THR 71 HG1 THR 71 -38.118 17.339 -3.792 650 HG21 THR 71 HG21 THR 71 -34.923 17.231 -3.435 651 HG22 THR 71 HG22 THR 71 -35.000 18.982 -3.289 652 HG23 THR 71 HG23 THR 71 -34.379 18.247 -4.764 653 H THR 72 H THR 72 -36.194 21.944 -5.094 654 HA THR 72 HA THR 72 -35.516 23.497 -3.441 655 HB THR 72 HB THR 72 -37.506 24.182 -2.079 656 HG1 THR 72 HG1 THR 72 -37.824 21.524 -2.227 657 HG21 THR 72 HG21 THR 72 -38.832 22.924 -4.493 658 HG22 THR 72 HG22 THR 72 -37.573 24.112 -4.814 659 HG23 THR 72 HG23 THR 72 -38.999 24.568 -3.887 660 H SER 73 H SER 73 -36.775 23.347 -0.711 661 HA SER 73 HA SER 73 -34.585 22.281 0.703 662 HB2 SER 73 HB2 SER 73 -36.494 23.786 1.604 663 HB3 SER 73 HB3 SER 73 -37.458 22.306 1.764 664 HG SER 73 HG SER 73 -35.061 23.036 3.035 Start of MODEL 4 1 HA MET 1 HA MET 1 6.715 5.768 -5.458 2 H SER 2 H SER 2 5.193 5.312 -2.361 3 HA SER 2 HA SER 2 5.379 8.228 -1.901 4 HB2 SER 2 HB2 SER 2 3.048 8.492 -1.340 5 HB3 SER 2 HB3 SER 2 2.979 7.434 -2.764 6 HG SER 2 HG SER 2 2.871 6.740 -0.023 7 H HIS 3 H HIS 3 6.732 5.824 -0.917 8 HA HIS 3 HA HIS 3 7.521 4.984 1.117 9 HB2 HIS 3 HB2 HIS 3 6.102 7.305 2.479 10 HB3 HIS 3 HB3 HIS 3 7.652 6.578 2.891 11 HD1 HIS 3 HD1 HIS 3 9.474 7.023 0.976 12 HD2 HIS 3 HD2 HIS 3 6.283 9.522 0.878 13 HE1 HIS 3 HE1 HIS 3 10.200 8.892 -0.379 14 H MET 4 H MET 4 6.767 4.298 3.359 15 HA MET 4 HA MET 4 3.892 4.050 3.755 16 HB2 MET 4 HB2 MET 4 4.242 1.397 3.702 17 HB3 MET 4 HB3 MET 4 3.892 2.263 2.210 18 HG2 MET 4 HG2 MET 4 5.830 0.654 2.079 19 HG3 MET 4 HG3 MET 4 6.172 2.285 1.562 20 HE1 MET 4 HE1 MET 4 8.318 0.646 1.581 21 HE2 MET 4 HE2 MET 4 7.996 -0.513 2.870 22 HE3 MET 4 HE3 MET 4 9.407 0.539 2.964 23 H LEU 5 H LEU 5 4.920 5.083 5.674 24 HA LEU 5 HA LEU 5 5.128 3.133 7.802 25 HB2 LEU 5 HB2 LEU 5 7.479 3.218 6.650 26 HB3 LEU 5 HB3 LEU 5 7.623 4.822 7.359 27 HG LEU 5 HG LEU 5 6.741 3.372 9.514 28 HD11 LEU 5 HD11 LEU 5 6.900 1.261 8.210 29 HD12 LEU 5 HD12 LEU 5 8.040 1.275 9.552 30 HD13 LEU 5 HD13 LEU 5 8.605 1.585 7.913 31 HD21 LEU 5 HD21 LEU 5 8.617 4.912 9.590 32 HD22 LEU 5 HD22 LEU 5 9.578 3.864 8.550 33 HD23 LEU 5 HD23 LEU 5 9.178 3.353 10.187 34 H GLU 6 H GLU 6 4.997 6.324 6.601 35 HA GLU 6 HA GLU 6 5.176 7.620 9.216 36 HB2 GLU 6 HB2 GLU 6 4.051 8.711 6.589 37 HB3 GLU 6 HB3 GLU 6 4.607 9.659 7.962 38 HG2 GLU 6 HG2 GLU 6 6.877 8.418 7.612 39 HG3 GLU 6 HG3 GLU 6 6.243 8.033 6.014 40 H GLY 7 H GLY 7 2.932 5.632 7.996 41 HA2 GLY 7 HA2 GLY 7 0.947 6.054 9.883 42 HA3 GLY 7 HA3 GLY 7 0.499 7.125 8.557 43 H ARG 8 H ARG 8 -0.106 4.183 9.802 44 HA ARG 8 HA ARG 8 -0.531 2.897 7.129 45 HB2 ARG 8 HB2 ARG 8 -0.449 1.681 9.937 46 HB3 ARG 8 HB3 ARG 8 -0.671 0.770 8.447 47 HG2 ARG 8 HG2 ARG 8 1.528 1.391 7.653 48 HG3 ARG 8 HG3 ARG 8 1.739 2.533 8.976 49 HD2 ARG 8 HD2 ARG 8 1.208 -0.380 9.554 50 HD3 ARG 8 HD3 ARG 8 2.842 0.174 9.191 51 HE ARG 8 HE ARG 8 2.201 1.917 11.130 52 HH11 ARG 8 HH11 ARG 8 2.605 -1.408 10.898 53 HH12 ARG 8 HH12 ARG 8 2.152 -1.764 12.532 54 HH21 ARG 8 HH21 ARG 8 1.138 1.528 13.182 55 HH22 ARG 8 HH22 ARG 8 1.301 -0.059 13.858 56 H LYS 9 H LYS 9 -2.194 4.835 8.986 57 HA LYS 9 HA LYS 9 -4.617 3.269 9.445 58 HB2 LYS 9 HB2 LYS 9 -3.897 6.226 9.606 59 HB3 LYS 9 HB3 LYS 9 -5.560 5.686 9.816 60 HG2 LYS 9 HG2 LYS 9 -5.054 4.477 11.771 61 HG3 LYS 9 HG3 LYS 9 -3.339 4.385 11.385 62 HD2 LYS 9 HD2 LYS 9 -3.033 6.735 11.862 63 HD3 LYS 9 HD3 LYS 9 -4.768 6.991 11.998 64 HE2 LYS 9 HE2 LYS 9 -3.564 6.784 14.219 65 HE3 LYS 9 HE3 LYS 9 -4.887 5.645 14.000 66 HZ1 LYS 9 HZ1 LYS 9 -3.448 3.897 13.673 67 HZ2 LYS 9 HZ2 LYS 9 -2.644 4.799 14.867 68 HZ3 LYS 9 HZ3 LYS 9 -2.142 4.895 13.247 69 H LYS 10 H LYS 10 -5.284 2.456 7.480 70 HA LYS 10 HA LYS 10 -6.204 2.478 5.317 71 HB2 LYS 10 HB2 LYS 10 -7.390 4.954 6.657 72 HB3 LYS 10 HB3 LYS 10 -7.935 4.385 5.085 73 HG2 LYS 10 HG2 LYS 10 -8.816 2.393 5.968 74 HG3 LYS 10 HG3 LYS 10 -7.807 2.472 7.408 75 HD2 LYS 10 HD2 LYS 10 -9.088 4.484 8.155 76 HD3 LYS 10 HD3 LYS 10 -10.134 4.312 6.749 77 HE2 LYS 10 HE2 LYS 10 -9.713 2.073 8.747 78 HE3 LYS 10 HE3 LYS 10 -10.999 3.260 8.919 79 HZ1 LYS 10 HZ1 LYS 10 -10.666 1.160 6.907 80 HZ2 LYS 10 HZ2 LYS 10 -11.488 2.582 6.470 81 HZ3 LYS 10 HZ3 LYS 10 -12.057 1.633 7.759 82 H ARG 11 H ARG 11 -4.166 2.856 4.265 83 HA ARG 11 HA ARG 11 -2.880 5.258 3.772 84 HB2 ARG 11 HB2 ARG 11 -3.293 2.727 2.230 85 HB3 ARG 11 HB3 ARG 11 -2.750 4.106 1.281 86 HG2 ARG 11 HG2 ARG 11 -0.823 2.832 2.167 87 HG3 ARG 11 HG3 ARG 11 -0.874 4.453 2.852 88 HD2 ARG 11 HD2 ARG 11 -1.619 3.685 4.944 89 HD3 ARG 11 HD3 ARG 11 -2.262 2.187 4.273 90 HE ARG 11 HE ARG 11 0.602 2.725 4.848 91 HH11 ARG 11 HH11 ARG 11 -1.604 0.873 3.058 92 HH12 ARG 11 HH12 ARG 11 -0.854 -0.652 3.395 93 HH21 ARG 11 HH21 ARG 11 1.457 0.750 5.624 94 HH22 ARG 11 HH22 ARG 11 0.925 -0.723 4.886 95 H VAL 12 H VAL 12 -5.796 4.033 2.220 96 HA VAL 12 HA VAL 12 -6.049 6.015 0.225 97 HB VAL 12 HB VAL 12 -8.588 5.489 0.529 98 HG11 VAL 12 HG11 VAL 12 -8.300 3.179 -0.324 99 HG12 VAL 12 HG12 VAL 12 -6.625 3.191 0.222 100 HG13 VAL 12 HG13 VAL 12 -7.140 4.275 -1.067 101 HG21 VAL 12 HG21 VAL 12 -7.372 3.678 2.637 102 HG22 VAL 12 HG22 VAL 12 -8.999 3.482 1.996 103 HG23 VAL 12 HG23 VAL 12 -8.575 4.935 2.895 104 HA PRO 13 HA PRO 13 -6.892 9.775 2.240 105 HB2 PRO 13 HB2 PRO 13 -9.304 10.338 0.682 106 HB3 PRO 13 HB3 PRO 13 -7.710 11.076 0.521 107 HG2 PRO 13 HG2 PRO 13 -8.934 9.109 -1.228 108 HG3 PRO 13 HG3 PRO 13 -7.347 9.860 -1.400 109 HD2 PRO 13 HD2 PRO 13 -7.901 7.153 -0.659 110 HD3 PRO 13 HD3 PRO 13 -6.320 7.949 -0.692 111 H TYR 14 H TYR 14 -8.337 10.731 3.747 112 HA TYR 14 HA TYR 14 -10.096 8.802 5.049 113 HB2 TYR 14 HB2 TYR 14 -9.983 11.761 5.719 114 HB3 TYR 14 HB3 TYR 14 -10.173 10.396 6.815 115 HD1 TYR 14 HD1 TYR 14 -7.895 8.782 5.288 116 HD2 TYR 14 HD2 TYR 14 -8.094 12.641 7.068 117 HE1 TYR 14 HE1 TYR 14 -5.470 8.745 5.636 118 HE2 TYR 14 HE2 TYR 14 -5.668 12.601 7.424 119 HH TYR 14 HH TYR 14 -3.614 10.840 5.915 120 H THR 15 H THR 15 -10.475 11.015 2.567 121 HA THR 15 HA THR 15 -12.334 11.805 1.419 122 HB THR 15 HB THR 15 -13.981 9.803 3.067 123 HG1 THR 15 HG1 THR 15 -13.073 8.793 0.817 124 HG21 THR 15 HG21 THR 15 -15.159 9.566 0.890 125 HG22 THR 15 HG22 THR 15 -13.986 10.617 0.105 126 HG23 THR 15 HG23 THR 15 -15.113 11.281 1.284 127 H LYS 16 H LYS 16 -14.402 10.984 4.133 128 HA LYS 16 HA LYS 16 -15.775 13.343 4.334 129 HB2 LYS 16 HB2 LYS 16 -15.544 11.087 5.931 130 HB3 LYS 16 HB3 LYS 16 -14.935 12.338 7.008 131 HG2 LYS 16 HG2 LYS 16 -16.988 13.696 6.502 132 HG3 LYS 16 HG3 LYS 16 -17.609 12.344 5.569 133 HD2 LYS 16 HD2 LYS 16 -16.687 11.883 8.400 134 HD3 LYS 16 HD3 LYS 16 -18.266 12.603 8.124 135 HE2 LYS 16 HE2 LYS 16 -18.469 10.556 6.392 136 HE3 LYS 16 HE3 LYS 16 -17.306 9.842 7.498 137 HZ1 LYS 16 HZ1 LYS 16 -18.882 9.521 8.996 138 HZ2 LYS 16 HZ2 LYS 16 -20.023 9.973 7.823 139 HZ3 LYS 16 HZ3 LYS 16 -19.410 11.132 8.902 140 H VAL 17 H VAL 17 -12.623 12.788 5.895 141 HA VAL 17 HA VAL 17 -12.605 15.517 6.990 142 HB VAL 17 HB VAL 17 -10.154 13.745 6.670 143 HG11 VAL 17 HG11 VAL 17 -11.165 15.674 8.786 144 HG12 VAL 17 HG12 VAL 17 -9.815 15.930 7.685 145 HG13 VAL 17 HG13 VAL 17 -9.697 14.716 8.955 146 HG21 VAL 17 HG21 VAL 17 -10.811 12.539 8.728 147 HG22 VAL 17 HG22 VAL 17 -11.991 12.268 7.448 148 HG23 VAL 17 HG23 VAL 17 -12.346 13.402 8.748 149 H GLN 18 H GLN 18 -11.505 13.780 4.279 150 HA GLN 18 HA GLN 18 -9.634 15.738 3.223 151 HB2 GLN 18 HB2 GLN 18 -10.809 13.116 2.611 152 HB3 GLN 18 HB3 GLN 18 -10.731 14.107 1.176 153 HG2 GLN 18 HG2 GLN 18 -8.613 12.969 1.346 154 HG3 GLN 18 HG3 GLN 18 -8.336 14.638 1.830 155 HE21 GLN 18 HE21 GLN 18 -9.421 14.584 4.453 156 HE22 GLN 18 HE22 GLN 18 -8.473 13.555 5.415 157 H LEU 19 H LEU 19 -13.011 14.799 2.370 158 HA LEU 19 HA LEU 19 -13.277 16.925 0.439 159 HB2 LEU 19 HB2 LEU 19 -14.845 14.686 1.420 160 HB3 LEU 19 HB3 LEU 19 -15.853 16.127 1.463 161 HG LEU 19 HG LEU 19 -15.971 14.926 -0.735 162 HD11 LEU 19 HD11 LEU 19 -14.978 17.129 -2.012 163 HD12 LEU 19 HD12 LEU 19 -15.130 17.748 -0.371 164 HD13 LEU 19 HD13 LEU 19 -16.539 17.096 -1.198 165 HD21 LEU 19 HD21 LEU 19 -13.263 15.895 -1.483 166 HD22 LEU 19 HD22 LEU 19 -14.107 14.428 -1.970 167 HD23 LEU 19 HD23 LEU 19 -13.314 14.507 -0.401 168 H LYS 20 H LYS 20 -13.462 16.758 3.851 169 HA LYS 20 HA LYS 20 -15.277 19.000 4.176 170 HB2 LYS 20 HB2 LYS 20 -13.562 17.277 5.922 171 HB3 LYS 20 HB3 LYS 20 -13.841 18.905 6.518 172 HG2 LYS 20 HG2 LYS 20 -16.277 18.591 6.278 173 HG3 LYS 20 HG3 LYS 20 -16.015 16.968 5.653 174 HD2 LYS 20 HD2 LYS 20 -15.386 16.125 7.722 175 HD3 LYS 20 HD3 LYS 20 -14.771 17.675 8.283 176 HE2 LYS 20 HE2 LYS 20 -17.718 17.178 7.791 177 HE3 LYS 20 HE3 LYS 20 -16.961 16.897 9.354 178 HZ1 LYS 20 HZ1 LYS 20 -16.117 19.276 9.106 179 HZ2 LYS 20 HZ2 LYS 20 -17.755 19.047 9.494 180 HZ3 LYS 20 HZ3 LYS 20 -17.306 19.439 7.904 181 H GLU 21 H GLU 21 -11.751 18.529 4.372 182 HA GLU 21 HA GLU 21 -11.262 21.312 4.894 183 HB2 GLU 21 HB2 GLU 21 -9.509 19.090 3.744 184 HB3 GLU 21 HB3 GLU 21 -8.893 20.691 4.138 185 HG2 GLU 21 HG2 GLU 21 -10.395 19.022 6.168 186 HG3 GLU 21 HG3 GLU 21 -8.651 18.885 5.962 187 H LEU 22 H LEU 22 -12.015 19.530 2.076 188 HA LEU 22 HA LEU 22 -10.855 21.425 0.200 189 HB2 LEU 22 HB2 LEU 22 -12.214 18.861 0.129 190 HB3 LEU 22 HB3 LEU 22 -13.029 19.948 -0.988 191 HG LEU 22 HG LEU 22 -11.210 18.751 -2.133 192 HD11 LEU 22 HD11 LEU 22 -10.092 21.504 -1.818 193 HD12 LEU 22 HD12 LEU 22 -11.750 21.364 -2.378 194 HD13 LEU 22 HD13 LEU 22 -10.446 20.611 -3.284 195 HD21 LEU 22 HD21 LEU 22 -9.745 19.579 0.299 196 HD22 LEU 22 HD22 LEU 22 -8.844 19.784 -1.200 197 HD23 LEU 22 HD23 LEU 22 -9.475 18.204 -0.757 198 H GLU 23 H GLU 23 -14.197 20.745 1.243 199 HA GLU 23 HA GLU 23 -15.280 22.965 -0.283 200 HB2 GLU 23 HB2 GLU 23 -16.699 21.033 0.267 201 HB3 GLU 23 HB3 GLU 23 -16.423 21.265 1.989 202 HG2 GLU 23 HG2 GLU 23 -17.663 23.318 2.007 203 HG3 GLU 23 HG3 GLU 23 -17.679 23.406 0.248 204 H ARG 24 H ARG 24 -13.698 22.725 2.723 205 HA ARG 24 HA ARG 24 -15.037 25.100 3.828 206 HB2 ARG 24 HB2 ARG 24 -13.023 23.090 4.732 207 HB3 ARG 24 HB3 ARG 24 -12.832 24.697 5.411 208 HG2 ARG 24 HG2 ARG 24 -14.329 23.281 6.807 209 HG3 ARG 24 HG3 ARG 24 -15.168 24.684 6.168 210 HD2 ARG 24 HD2 ARG 24 -15.771 23.015 4.181 211 HD3 ARG 24 HD3 ARG 24 -15.475 21.798 5.420 212 HE ARG 24 HE ARG 24 -17.582 23.899 5.567 213 HH11 ARG 24 HH11 ARG 24 -15.787 21.457 7.115 214 HH12 ARG 24 HH12 ARG 24 -17.124 20.809 8.006 215 HH21 ARG 24 HH21 ARG 24 -19.436 22.960 6.483 216 HH22 ARG 24 HH22 ARG 24 -19.245 21.687 7.641 217 H GLU 25 H GLU 25 -11.881 24.242 2.482 218 HA GLU 25 HA GLU 25 -10.818 26.904 2.805 219 HB2 GLU 25 HB2 GLU 25 -10.014 24.721 0.821 220 HB3 GLU 25 HB3 GLU 25 -9.019 26.088 1.311 221 HG2 GLU 25 HG2 GLU 25 -10.108 24.339 3.482 222 HG3 GLU 25 HG3 GLU 25 -8.793 23.687 2.503 223 H TYR 26 H TYR 26 -12.963 25.406 0.580 224 HA TYR 26 HA TYR 26 -12.469 27.406 -1.544 225 HB2 TYR 26 HB2 TYR 26 -13.577 24.815 -1.466 226 HB3 TYR 26 HB3 TYR 26 -14.980 25.847 -1.707 227 HD1 TYR 26 HD1 TYR 26 -14.587 27.786 -3.519 228 HD2 TYR 26 HD2 TYR 26 -12.373 24.156 -3.365 229 HE1 TYR 26 HE1 TYR 26 -14.013 28.037 -5.885 230 HE2 TYR 26 HE2 TYR 26 -11.804 24.407 -5.733 231 HH TYR 26 HH TYR 26 -13.298 26.100 -7.825 232 H ALA 27 H ALA 27 -14.812 26.689 0.965 233 HA ALA 27 HA ALA 27 -16.689 28.745 0.199 234 HB1 ALA 27 HB1 ALA 27 -17.168 26.730 1.708 235 HB2 ALA 27 HB2 ALA 27 -17.721 28.263 2.373 236 HB3 ALA 27 HB3 ALA 27 -16.235 27.529 2.969 237 H THR 28 H THR 28 -13.710 28.711 1.919 238 HA THR 28 HA THR 28 -14.126 31.080 3.491 239 HB THR 28 HB THR 28 -11.614 29.647 2.446 240 HG1 THR 28 HG1 THR 28 -12.967 28.751 4.101 241 HG21 THR 28 HG21 THR 28 -10.541 31.095 4.352 242 HG22 THR 28 HG22 THR 28 -11.956 32.133 4.209 243 HG23 THR 28 HG23 THR 28 -10.859 31.945 2.844 244 H ASN 29 H ASN 29 -12.859 30.450 0.261 245 HA ASN 29 HA ASN 29 -13.489 33.227 -0.462 246 HB2 ASN 29 HB2 ASN 29 -10.709 32.219 -0.004 247 HB3 ASN 29 HB3 ASN 29 -10.939 33.157 -1.478 248 HD21 ASN 29 HD21 ASN 29 -11.716 35.396 -1.242 249 HD22 ASN 29 HD22 ASN 29 -11.556 36.215 0.236 250 H LYS 30 H LYS 30 -11.136 31.048 -1.946 251 HA LYS 30 HA LYS 30 -13.006 29.969 -3.876 252 HB2 LYS 30 HB2 LYS 30 -12.648 32.452 -4.591 253 HB3 LYS 30 HB3 LYS 30 -10.999 31.982 -4.989 254 HG2 LYS 30 HG2 LYS 30 -12.073 31.617 -7.035 255 HG3 LYS 30 HG3 LYS 30 -12.193 30.022 -6.301 256 HD2 LYS 30 HD2 LYS 30 -14.446 30.794 -5.342 257 HD3 LYS 30 HD3 LYS 30 -14.324 32.172 -6.429 258 HE2 LYS 30 HE2 LYS 30 -14.686 30.894 -8.306 259 HE3 LYS 30 HE3 LYS 30 -13.835 29.502 -7.650 260 HZ1 LYS 30 HZ1 LYS 30 -16.426 29.528 -7.918 261 HZ2 LYS 30 HZ2 LYS 30 -16.356 30.273 -6.393 262 HZ3 LYS 30 HZ3 LYS 30 -15.679 28.731 -6.618 263 H PHE 31 H PHE 31 -9.671 30.909 -3.247 264 HA PHE 31 HA PHE 31 -8.875 28.125 -3.677 265 HB2 PHE 31 HB2 PHE 31 -8.638 29.863 -5.840 266 HB3 PHE 31 HB3 PHE 31 -7.047 29.998 -5.085 267 HD1 PHE 31 HD1 PHE 31 -5.897 27.772 -4.410 268 HD2 PHE 31 HD2 PHE 31 -9.123 27.973 -7.167 269 HE1 PHE 31 HE1 PHE 31 -5.473 25.457 -5.062 270 HE2 PHE 31 HE2 PHE 31 -8.651 25.674 -7.866 271 HZ PHE 31 HZ PHE 31 -6.865 24.400 -6.756 272 H ILE 32 H ILE 32 -6.690 27.725 -2.975 273 HA ILE 32 HA ILE 32 -5.863 29.736 -0.935 274 HB ILE 32 HB ILE 32 -4.773 27.182 -0.309 275 HG12 ILE 32 HG12 ILE 32 -6.901 25.840 -0.183 276 HG13 ILE 32 HG13 ILE 32 -7.677 27.047 -1.199 277 HG21 ILE 32 HG21 ILE 32 -5.608 28.912 1.284 278 HG22 ILE 32 HG22 ILE 32 -6.422 27.388 1.591 279 HG23 ILE 32 HG23 ILE 32 -7.251 28.666 0.714 280 HD11 ILE 32 HD11 ILE 32 -5.657 24.985 -1.905 281 HD12 ILE 32 HD12 ILE 32 -5.430 26.566 -2.647 282 HD13 ILE 32 HD13 ILE 32 -6.932 25.689 -2.894 283 H THR 33 H THR 33 -3.599 29.810 -0.435 284 HA THR 33 HA THR 33 -1.996 29.913 -2.847 285 HB THR 33 HB THR 33 -1.007 30.251 0.037 286 HG1 THR 33 HG1 THR 33 -2.419 31.953 -1.756 287 HG21 THR 33 HG21 THR 33 0.511 31.876 -1.043 288 HG22 THR 33 HG22 THR 33 -0.342 31.724 -2.576 289 HG23 THR 33 HG23 THR 33 0.632 30.387 -1.973 290 H LYS 34 H LYS 34 0.064 28.968 -3.092 291 HA LYS 34 HA LYS 34 0.175 26.221 -3.105 292 HB2 LYS 34 HB2 LYS 34 2.598 27.981 -2.524 293 HB3 LYS 34 HB3 LYS 34 2.579 26.457 -3.404 294 HG2 LYS 34 HG2 LYS 34 1.178 29.009 -4.293 295 HG3 LYS 34 HG3 LYS 34 2.682 28.395 -4.960 296 HD2 LYS 34 HD2 LYS 34 1.339 27.328 -6.459 297 HD3 LYS 34 HD3 LYS 34 1.071 26.183 -5.153 298 HE2 LYS 34 HE2 LYS 34 -1.097 26.950 -6.085 299 HE3 LYS 34 HE3 LYS 34 -0.934 27.497 -4.431 300 HZ1 LYS 34 HZ1 LYS 34 -1.667 29.345 -5.592 301 HZ2 LYS 34 HZ2 LYS 34 -0.635 29.061 -6.910 302 HZ3 LYS 34 HZ3 LYS 34 0.003 29.610 -5.436 303 H ASP 35 H ASP 35 1.211 28.327 -0.451 304 HA ASP 35 HA ASP 35 2.201 26.155 1.165 305 HB2 ASP 35 HB2 ASP 35 1.203 28.978 1.788 306 HB3 ASP 35 HB3 ASP 35 1.758 27.895 3.062 307 H LYS 36 H LYS 36 -0.898 27.717 0.726 308 HA LYS 36 HA LYS 36 -2.143 26.191 2.872 309 HB2 LYS 36 HB2 LYS 36 -3.131 28.107 0.734 310 HB3 LYS 36 HB3 LYS 36 -4.247 27.265 1.802 311 HG2 LYS 36 HG2 LYS 36 -3.350 28.308 3.745 312 HG3 LYS 36 HG3 LYS 36 -1.901 28.826 2.897 313 HD2 LYS 36 HD2 LYS 36 -3.719 30.109 1.383 314 HD3 LYS 36 HD3 LYS 36 -4.637 30.029 2.881 315 HE2 LYS 36 HE2 LYS 36 -2.653 30.995 4.084 316 HE3 LYS 36 HE3 LYS 36 -1.862 31.204 2.527 317 HZ1 LYS 36 HZ1 LYS 36 -3.339 33.075 3.660 318 HZ2 LYS 36 HZ2 LYS 36 -4.550 32.285 2.767 319 HZ3 LYS 36 HZ3 LYS 36 -3.186 32.917 1.975 320 H ARG 37 H ARG 37 -1.531 25.829 -0.497 321 HA ARG 37 HA ARG 37 -3.662 23.978 -1.075 322 HB2 ARG 37 HB2 ARG 37 -0.923 24.497 -2.323 323 HB3 ARG 37 HB3 ARG 37 -2.035 23.299 -2.970 324 HG2 ARG 37 HG2 ARG 37 -3.753 25.260 -2.927 325 HG3 ARG 37 HG3 ARG 37 -2.335 26.286 -2.869 326 HD2 ARG 37 HD2 ARG 37 -3.057 24.258 -5.004 327 HD3 ARG 37 HD3 ARG 37 -2.877 25.997 -5.198 328 HE ARG 37 HE ARG 37 -0.486 25.732 -5.003 329 HH11 ARG 37 HH11 ARG 37 -2.323 22.829 -4.859 330 HH12 ARG 37 HH12 ARG 37 -0.972 21.793 -5.152 331 HH21 ARG 37 HH21 ARG 37 1.295 24.456 -5.354 332 HH22 ARG 37 HH22 ARG 37 1.127 22.735 -5.436 333 H ARG 38 H ARG 38 -0.282 23.703 -0.251 334 HA ARG 38 HA ARG 38 -0.250 20.868 -0.117 335 HB2 ARG 38 HB2 ARG 38 1.794 22.351 -0.308 336 HB3 ARG 38 HB3 ARG 38 1.535 22.861 1.355 337 HG2 ARG 38 HG2 ARG 38 1.939 20.667 2.200 338 HG3 ARG 38 HG3 ARG 38 1.778 19.939 0.606 339 HD2 ARG 38 HD2 ARG 38 4.020 20.128 0.367 340 HD3 ARG 38 HD3 ARG 38 3.824 21.879 0.358 341 HE ARG 38 HE ARG 38 3.916 20.649 3.031 342 HH11 ARG 38 HH11 ARG 38 4.620 23.491 2.148 343 HH12 ARG 38 HH12 ARG 38 6.344 23.481 2.327 344 HH21 ARG 38 HH21 ARG 38 6.504 19.984 2.524 345 HH22 ARG 38 HH22 ARG 38 7.438 21.444 2.545 346 H ARG 39 H ARG 39 -1.300 23.350 2.093 347 HA ARG 39 HA ARG 39 -1.008 21.856 4.512 348 HB2 ARG 39 HB2 ARG 39 -2.602 24.199 3.590 349 HB3 ARG 39 HB3 ARG 39 -3.370 23.284 4.872 350 HG2 ARG 39 HG2 ARG 39 -1.647 23.709 6.384 351 HG3 ARG 39 HG3 ARG 39 -0.456 23.962 5.114 352 HD2 ARG 39 HD2 ARG 39 -1.004 26.174 4.871 353 HD3 ARG 39 HD3 ARG 39 -2.725 25.878 5.113 354 HE ARG 39 HE ARG 39 -1.720 25.465 7.626 355 HH11 ARG 39 HH11 ARG 39 -0.553 27.706 5.353 356 HH12 ARG 39 HH12 ARG 39 -0.598 29.066 6.422 357 HH21 ARG 39 HH21 ARG 39 -2.108 27.246 9.007 358 HH22 ARG 39 HH22 ARG 39 -1.494 28.799 8.543 359 H ILE 40 H ILE 40 -3.566 22.139 2.113 360 HA ILE 40 HA ILE 40 -5.300 20.246 3.380 361 HB ILE 40 HB ILE 40 -4.955 20.712 0.377 362 HG12 ILE 40 HG12 ILE 40 -6.787 22.312 2.164 363 HG13 ILE 40 HG13 ILE 40 -5.141 22.836 1.843 364 HG21 ILE 40 HG21 ILE 40 -7.639 20.542 0.943 365 HG22 ILE 40 HG22 ILE 40 -6.980 19.515 2.196 366 HG23 ILE 40 HG23 ILE 40 -6.653 19.153 0.508 367 HD11 ILE 40 HD11 ILE 40 -7.032 23.687 0.249 368 HD12 ILE 40 HD12 ILE 40 -6.970 22.068 -0.430 369 HD13 ILE 40 HD13 ILE 40 -5.548 23.092 -0.479 370 H SER 41 H SER 41 -3.518 19.776 0.337 371 HA SER 41 HA SER 41 -3.471 17.054 0.170 372 HB2 SER 41 HB2 SER 41 -0.722 18.066 -0.209 373 HB3 SER 41 HB3 SER 41 -1.887 17.591 -1.442 374 HG SER 41 HG SER 41 -1.219 19.949 -1.149 375 H ALA 42 H ALA 42 -1.510 18.972 2.437 376 HA ALA 42 HA ALA 42 -0.023 16.612 3.355 377 HB1 ALA 42 HB1 ALA 42 0.997 18.897 3.411 378 HB2 ALA 42 HB2 ALA 42 0.916 18.218 5.034 379 HB3 ALA 42 HB3 ALA 42 -0.255 19.431 4.527 380 H THR 43 H THR 43 -2.951 18.187 4.079 381 HA THR 43 HA THR 43 -3.129 16.975 6.775 382 HB THR 43 HB THR 43 -4.865 18.891 5.121 383 HG1 THR 43 HG1 THR 43 -3.469 18.777 7.584 384 HG21 THR 43 HG21 THR 43 -6.576 17.554 6.198 385 HG22 THR 43 HG22 THR 43 -6.265 18.837 7.362 386 HG23 THR 43 HG23 THR 43 -5.555 17.243 7.598 387 H THR 44 H THR 44 -4.353 16.782 3.555 388 HA THR 44 HA THR 44 -6.265 14.677 4.125 389 HB THR 44 HB THR 44 -6.265 14.665 1.527 390 HG1 THR 44 HG1 THR 44 -4.864 16.075 0.618 391 HG21 THR 44 HG21 THR 44 -7.392 16.522 3.186 392 HG22 THR 44 HG22 THR 44 -7.459 16.694 1.434 393 HG23 THR 44 HG23 THR 44 -6.225 17.532 2.355 394 H ASN 45 H ASN 45 -2.930 14.997 3.395 395 HA ASN 45 HA ASN 45 -1.207 13.427 3.483 396 HB2 ASN 45 HB2 ASN 45 -3.055 12.212 4.982 397 HB3 ASN 45 HB3 ASN 45 -3.169 11.128 3.602 398 HD21 ASN 45 HD21 ASN 45 -2.050 9.313 4.394 399 HD22 ASN 45 HD22 ASN 45 -0.436 9.351 4.916 400 H LEU 46 H LEU 46 -1.361 14.254 1.064 401 HA LEU 46 HA LEU 46 -1.061 11.763 -0.486 402 HB2 LEU 46 HB2 LEU 46 -2.612 12.804 -2.357 403 HB3 LEU 46 HB3 LEU 46 -3.350 11.955 -1.016 404 HG LEU 46 HG LEU 46 -3.400 14.341 0.105 405 HD11 LEU 46 HD11 LEU 46 -3.134 14.889 -2.861 406 HD12 LEU 46 HD12 LEU 46 -2.144 15.524 -1.564 407 HD13 LEU 46 HD13 LEU 46 -3.807 16.053 -1.725 408 HD21 LEU 46 HD21 LEU 46 -5.516 14.667 -1.598 409 HD22 LEU 46 HD22 LEU 46 -5.530 13.577 -0.218 410 HD23 LEU 46 HD23 LEU 46 -5.165 12.961 -1.824 411 H SER 47 H SER 47 -1.646 14.050 -2.794 412 HA SER 47 HA SER 47 1.255 14.594 -3.013 413 HB2 SER 47 HB2 SER 47 0.263 13.592 -5.017 414 HB3 SER 47 HB3 SER 47 -1.031 14.805 -5.027 415 HG SER 47 HG SER 47 1.761 15.224 -5.321 416 H GLU 48 H GLU 48 -0.647 16.563 -4.866 417 HA GLU 48 HA GLU 48 -1.142 18.753 -3.125 418 HB2 GLU 48 HB2 GLU 48 1.525 18.545 -4.540 419 HB3 GLU 48 HB3 GLU 48 0.761 20.125 -4.468 420 HG2 GLU 48 HG2 GLU 48 0.498 19.228 -1.848 421 HG3 GLU 48 HG3 GLU 48 2.070 18.581 -2.317 422 H ARG 49 H ARG 49 0.193 18.243 -6.376 423 HA ARG 49 HA ARG 49 -1.447 20.025 -7.717 424 HB2 ARG 49 HB2 ARG 49 -0.624 17.246 -8.709 425 HB3 ARG 49 HB3 ARG 49 -1.031 18.628 -9.720 426 HG2 ARG 49 HG2 ARG 49 1.234 18.711 -7.716 427 HG3 ARG 49 HG3 ARG 49 1.472 18.180 -9.376 428 HD2 ARG 49 HD2 ARG 49 0.443 20.887 -8.459 429 HD3 ARG 49 HD3 ARG 49 1.968 20.556 -9.279 430 HE ARG 49 HE ARG 49 0.203 19.618 -11.109 431 HH11 ARG 49 HH11 ARG 49 -1.180 21.763 -9.067 432 HH12 ARG 49 HH12 ARG 49 -1.430 23.038 -10.212 433 HH21 ARG 49 HH21 ARG 49 0.551 21.504 -12.661 434 HH22 ARG 49 HH22 ARG 49 -0.428 22.888 -12.301 435 H GLN 50 H GLN 50 -1.986 16.870 -6.377 436 HA GLN 50 HA GLN 50 -4.432 16.207 -7.638 437 HB2 GLN 50 HB2 GLN 50 -3.147 15.557 -4.966 438 HB3 GLN 50 HB3 GLN 50 -4.797 15.029 -5.277 439 HG2 GLN 50 HG2 GLN 50 -2.850 14.506 -7.461 440 HG3 GLN 50 HG3 GLN 50 -2.612 13.569 -5.988 441 HE21 GLN 50 HE21 GLN 50 -4.437 13.758 -8.871 442 HE22 GLN 50 HE22 GLN 50 -5.632 12.622 -8.471 443 H VAL 51 H VAL 51 -3.693 18.190 -4.790 444 HA VAL 51 HA VAL 51 -6.404 18.624 -4.051 445 HB VAL 51 HB VAL 51 -4.117 20.544 -3.694 446 HG11 VAL 51 HG11 VAL 51 -5.410 21.342 -1.790 447 HG12 VAL 51 HG12 VAL 51 -6.604 20.072 -2.022 448 HG13 VAL 51 HG13 VAL 51 -6.447 21.361 -3.211 449 HG21 VAL 51 HG21 VAL 51 -4.187 19.301 -1.348 450 HG22 VAL 51 HG22 VAL 51 -3.272 18.625 -2.687 451 HG23 VAL 51 HG23 VAL 51 -4.864 17.991 -2.312 452 H THR 52 H THR 52 -4.132 20.420 -5.921 453 HA THR 52 HA THR 52 -5.693 22.598 -6.651 454 HB THR 52 HB THR 52 -4.114 21.361 -8.837 455 HG1 THR 52 HG1 THR 52 -3.329 21.444 -6.160 456 HG21 THR 52 HG21 THR 52 -4.220 23.791 -8.830 457 HG22 THR 52 HG22 THR 52 -2.620 23.421 -8.198 458 HG23 THR 52 HG23 THR 52 -3.924 23.859 -7.097 459 H ILE 53 H ILE 53 -5.414 19.385 -7.922 460 HA ILE 53 HA ILE 53 -7.304 19.715 -10.060 461 HB ILE 53 HB ILE 53 -5.706 17.569 -8.731 462 HG12 ILE 53 HG12 ILE 53 -5.319 16.941 -11.084 463 HG13 ILE 53 HG13 ILE 53 -6.476 18.153 -11.592 464 HG21 ILE 53 HG21 ILE 53 -7.076 15.788 -9.972 465 HG22 ILE 53 HG22 ILE 53 -8.326 17.006 -10.200 466 HG23 ILE 53 HG23 ILE 53 -7.893 16.484 -8.577 467 HD11 ILE 53 HD11 ILE 53 -4.484 19.341 -11.785 468 HD12 ILE 53 HD12 ILE 53 -3.749 18.524 -10.413 469 HD13 ILE 53 HD13 ILE 53 -4.963 19.766 -10.150 470 H TRP 54 H TRP 54 -7.420 18.994 -6.699 471 HA TRP 54 HA TRP 54 -10.011 17.769 -6.611 472 HB2 TRP 54 HB2 TRP 54 -8.077 18.061 -4.812 473 HB3 TRP 54 HB3 TRP 54 -8.923 19.526 -4.391 474 HD1 TRP 54 HD1 TRP 54 -11.870 18.190 -4.939 475 HE1 TRP 54 HE1 TRP 54 -12.600 16.326 -3.369 476 HE3 TRP 54 HE3 TRP 54 -7.539 17.466 -2.715 477 HZ2 TRP 54 HZ2 TRP 54 -11.315 14.702 -1.199 478 HZ3 TRP 54 HZ3 TRP 54 -7.234 15.821 -0.926 479 HH2 TRP 54 HH2 TRP 54 -9.110 14.452 -0.189 480 H PHE 55 H PHE 55 -8.720 21.025 -6.227 481 HA PHE 55 HA PHE 55 -11.209 22.275 -5.675 482 HB2 PHE 55 HB2 PHE 55 -8.614 23.124 -6.942 483 HB3 PHE 55 HB3 PHE 55 -9.983 24.233 -6.996 484 HD1 PHE 55 HD1 PHE 55 -8.532 21.867 -4.519 485 HD2 PHE 55 HD2 PHE 55 -10.057 25.761 -5.213 486 HE1 PHE 55 HE1 PHE 55 -8.170 22.403 -2.181 487 HE2 PHE 55 HE2 PHE 55 -9.742 26.287 -2.841 488 HZ PHE 55 HZ PHE 55 -8.792 24.618 -1.316 489 H GLN 56 H GLN 56 -9.687 21.600 -8.827 490 HA GLN 56 HA GLN 56 -11.764 22.798 -10.391 491 HB2 GLN 56 HB2 GLN 56 -10.029 20.388 -11.086 492 HB3 GLN 56 HB3 GLN 56 -10.827 21.448 -12.231 493 HG2 GLN 56 HG2 GLN 56 -9.481 23.365 -11.282 494 HG3 GLN 56 HG3 GLN 56 -8.583 22.183 -10.338 495 HE21 GLN 56 HE21 GLN 56 -7.953 20.153 -11.946 496 HE22 GLN 56 HE22 GLN 56 -7.178 20.655 -13.371 497 H ASN 57 H ASN 57 -11.481 19.717 -8.789 498 HA ASN 57 HA ASN 57 -13.674 18.476 -10.245 499 HB2 ASN 57 HB2 ASN 57 -11.680 17.409 -8.770 500 HB3 ASN 57 HB3 ASN 57 -12.854 17.601 -7.470 501 HD21 ASN 57 HD21 ASN 57 -14.376 15.956 -7.272 502 HD22 ASN 57 HD22 ASN 57 -14.730 14.810 -8.473 503 H ARG 58 H ARG 58 -13.139 20.065 -7.198 504 HA ARG 58 HA ARG 58 -15.741 19.737 -6.145 505 HB2 ARG 58 HB2 ARG 58 -13.311 21.169 -5.549 506 HB3 ARG 58 HB3 ARG 58 -14.616 22.331 -5.492 507 HG2 ARG 58 HG2 ARG 58 -14.623 19.667 -4.038 508 HG3 ARG 58 HG3 ARG 58 -14.216 21.204 -3.286 509 HD2 ARG 58 HD2 ARG 58 -16.406 21.948 -3.308 510 HD3 ARG 58 HD3 ARG 58 -16.807 21.058 -4.774 511 HE ARG 58 HE ARG 58 -16.367 19.063 -2.904 512 HH11 ARG 58 HH11 ARG 58 -17.808 22.067 -2.342 513 HH12 ARG 58 HH12 ARG 58 -19.270 21.435 -1.661 514 HH21 ARG 58 HH21 ARG 58 -18.401 18.113 -2.372 515 HH22 ARG 58 HH22 ARG 58 -19.614 19.136 -1.677 516 H ARG 59 H ARG 59 -14.439 21.617 -8.718 517 HA ARG 59 HA ARG 59 -16.740 23.504 -8.729 518 HB2 ARG 59 HB2 ARG 59 -14.252 24.076 -9.372 519 HB3 ARG 59 HB3 ARG 59 -14.585 23.219 -10.873 520 HG2 ARG 59 HG2 ARG 59 -16.585 24.721 -11.203 521 HG3 ARG 59 HG3 ARG 59 -16.060 25.644 -9.801 522 HD2 ARG 59 HD2 ARG 59 -13.864 26.047 -10.934 523 HD3 ARG 59 HD3 ARG 59 -14.477 25.209 -12.358 524 HE ARG 59 HE ARG 59 -15.771 27.693 -11.300 525 HH11 ARG 59 HH11 ARG 59 -13.950 26.132 -13.691 526 HH12 ARG 59 HH12 ARG 59 -14.719 26.917 -15.030 527 HH21 ARG 59 HH21 ARG 59 -17.080 28.520 -12.996 528 HH22 ARG 59 HH22 ARG 59 -16.537 28.307 -14.627 529 H VAL 60 H VAL 60 -15.660 20.577 -10.014 530 HA VAL 60 HA VAL 60 -17.532 20.632 -12.275 531 HB VAL 60 HB VAL 60 -15.070 19.371 -11.667 532 HG11 VAL 60 HG11 VAL 60 -17.220 17.238 -11.955 533 HG12 VAL 60 HG12 VAL 60 -16.449 17.639 -10.423 534 HG13 VAL 60 HG13 VAL 60 -15.490 16.982 -11.746 535 HG21 VAL 60 HG21 VAL 60 -15.267 18.462 -13.923 536 HG22 VAL 60 HG22 VAL 60 -16.007 20.059 -13.904 537 HG23 VAL 60 HG23 VAL 60 -17.020 18.621 -13.878 538 H LYS 61 H LYS 61 -17.393 19.701 -9.007 539 HA LYS 61 HA LYS 61 -19.578 17.733 -9.244 540 HB2 LYS 61 HB2 LYS 61 -17.734 18.728 -7.057 541 HB3 LYS 61 HB3 LYS 61 -19.256 17.990 -6.578 542 HG2 LYS 61 HG2 LYS 61 -18.153 16.289 -8.570 543 HG3 LYS 61 HG3 LYS 61 -16.829 16.703 -7.495 544 HD2 LYS 61 HD2 LYS 61 -19.508 15.512 -6.708 545 HD3 LYS 61 HD3 LYS 61 -17.933 14.736 -6.596 546 HE2 LYS 61 HE2 LYS 61 -17.786 15.556 -4.493 547 HE3 LYS 61 HE3 LYS 61 -17.622 17.154 -5.208 548 HZ1 LYS 61 HZ1 LYS 61 -19.953 15.889 -3.997 549 HZ2 LYS 61 HZ2 LYS 61 -20.228 16.929 -5.312 550 HZ3 LYS 61 HZ3 LYS 61 -19.431 17.504 -3.927 551 H GLU 62 H GLU 62 -19.058 21.077 -8.332 552 HA GLU 62 HA GLU 62 -21.648 21.343 -7.021 553 HB2 GLU 62 HB2 GLU 62 -21.040 23.656 -6.810 554 HB3 GLU 62 HB3 GLU 62 -19.495 22.821 -6.766 555 HG2 GLU 62 HG2 GLU 62 -19.268 23.201 -9.228 556 HG3 GLU 62 HG3 GLU 62 -20.740 24.153 -9.185 557 H LYS 63 H LYS 63 -20.300 22.043 -10.187 558 HA LYS 63 HA LYS 63 -22.561 23.369 -11.264 559 HB2 LYS 63 HB2 LYS 63 -21.595 22.723 -13.469 560 HB3 LYS 63 HB3 LYS 63 -20.332 23.276 -12.378 561 HG2 LYS 63 HG2 LYS 63 -19.671 21.008 -11.875 562 HG3 LYS 63 HG3 LYS 63 -21.068 20.356 -12.724 563 HD2 LYS 63 HD2 LYS 63 -18.835 20.353 -14.013 564 HD3 LYS 63 HD3 LYS 63 -20.226 21.032 -14.849 565 HE2 LYS 63 HE2 LYS 63 -19.527 23.272 -14.418 566 HE3 LYS 63 HE3 LYS 63 -18.364 22.757 -13.208 567 HZ1 LYS 63 HZ1 LYS 63 -17.542 21.426 -15.387 568 HZ2 LYS 63 HZ2 LYS 63 -16.913 22.913 -14.864 569 HZ3 LYS 63 HZ3 LYS 63 -18.110 22.875 -16.067 570 H LYS 64 H LYS 64 -21.925 19.993 -10.718 571 HA LYS 64 HA LYS 64 -23.855 18.894 -12.504 572 HB2 LYS 64 HB2 LYS 64 -22.666 17.994 -9.848 573 HB3 LYS 64 HB3 LYS 64 -23.900 17.026 -10.645 574 HG2 LYS 64 HG2 LYS 64 -21.463 17.970 -12.156 575 HG3 LYS 64 HG3 LYS 64 -21.409 16.505 -11.182 576 HD2 LYS 64 HD2 LYS 64 -23.782 16.699 -12.923 577 HD3 LYS 64 HD3 LYS 64 -22.258 16.608 -13.799 578 HE2 LYS 64 HE2 LYS 64 -23.293 14.664 -11.713 579 HE3 LYS 64 HE3 LYS 64 -23.009 14.339 -13.418 580 HZ1 LYS 64 HZ1 LYS 64 -20.621 14.927 -12.951 581 HZ2 LYS 64 HZ2 LYS 64 -21.177 13.469 -12.283 582 HZ3 LYS 64 HZ3 LYS 64 -21.009 14.843 -11.301 583 H VAL 65 H VAL 65 -24.457 21.174 -10.345 584 HA VAL 65 HA VAL 65 -27.078 20.033 -9.455 585 HB VAL 65 HB VAL 65 -25.423 22.394 -8.439 586 HG11 VAL 65 HG11 VAL 65 -27.193 22.389 -6.594 587 HG12 VAL 65 HG12 VAL 65 -28.162 21.361 -7.646 588 HG13 VAL 65 HG13 VAL 65 -27.736 22.992 -8.157 589 HG21 VAL 65 HG21 VAL 65 -25.453 20.917 -6.340 590 HG22 VAL 65 HG22 VAL 65 -24.473 20.332 -7.680 591 HG23 VAL 65 HG23 VAL 65 -26.059 19.629 -7.377 592 H ILE 66 H ILE 66 -25.683 23.145 -10.521 593 HA ILE 66 HA ILE 66 -28.202 24.353 -11.104 594 HB ILE 66 HB ILE 66 -26.519 25.612 -12.858 595 HG12 ILE 66 HG12 ILE 66 -24.675 24.521 -10.714 596 HG13 ILE 66 HG13 ILE 66 -24.778 23.827 -12.328 597 HG21 ILE 66 HG21 ILE 66 -27.657 26.490 -10.726 598 HG22 ILE 66 HG22 ILE 66 -26.055 27.161 -11.012 599 HG23 ILE 66 HG23 ILE 66 -26.276 25.888 -9.816 600 HD11 ILE 66 HD11 ILE 66 -23.016 25.400 -12.512 601 HD12 ILE 66 HD12 ILE 66 -23.861 26.593 -11.529 602 HD13 ILE 66 HD13 ILE 66 -24.406 26.260 -13.170 603 H ASN 67 H ASN 67 -26.604 21.829 -12.658 604 HA ASN 67 HA ASN 67 -27.102 22.244 -15.385 605 HB2 ASN 67 HB2 ASN 67 -25.957 20.222 -14.380 606 HB3 ASN 67 HB3 ASN 67 -27.527 19.639 -13.831 607 HD21 ASN 67 HD21 ASN 67 -28.946 18.700 -15.394 608 HD22 ASN 67 HD22 ASN 67 -28.495 18.442 -17.011 609 H LYS 68 H LYS 68 -29.354 21.637 -12.811 610 HA LYS 68 HA LYS 68 -31.545 21.128 -14.747 611 HB2 LYS 68 HB2 LYS 68 -31.429 21.142 -11.690 612 HB3 LYS 68 HB3 LYS 68 -32.895 20.809 -12.606 613 HG2 LYS 68 HG2 LYS 68 -31.992 18.815 -13.538 614 HG3 LYS 68 HG3 LYS 68 -30.347 19.257 -13.095 615 HD2 LYS 68 HD2 LYS 68 -30.926 17.677 -11.441 616 HD3 LYS 68 HD3 LYS 68 -31.236 19.212 -10.640 617 HE2 LYS 68 HE2 LYS 68 -33.605 18.567 -12.068 618 HE3 LYS 68 HE3 LYS 68 -33.099 17.090 -11.260 619 HZ1 LYS 68 HZ1 LYS 68 -34.342 19.328 -10.151 620 HZ2 LYS 68 HZ2 LYS 68 -32.786 19.222 -9.476 621 HZ3 LYS 68 HZ3 LYS 68 -33.850 17.903 -9.368 622 H LEU 69 H LEU 69 -30.784 23.416 -12.114 623 HA LEU 69 HA LEU 69 -32.969 25.179 -13.090 624 HB2 LEU 69 HB2 LEU 69 -32.643 24.683 -10.615 625 HB3 LEU 69 HB3 LEU 69 -31.104 25.534 -10.697 626 HG LEU 69 HG LEU 69 -32.637 27.424 -11.814 627 HD11 LEU 69 HD11 LEU 69 -34.501 25.829 -10.022 628 HD12 LEU 69 HD12 LEU 69 -34.712 26.141 -11.742 629 HD13 LEU 69 HD13 LEU 69 -34.833 27.464 -10.586 630 HD21 LEU 69 HD21 LEU 69 -32.181 26.765 -8.902 631 HD22 LEU 69 HD22 LEU 69 -33.024 28.239 -9.371 632 HD23 LEU 69 HD23 LEU 69 -31.363 27.970 -9.894 633 H LYS 70 H LYS 70 -32.642 27.056 -14.113 634 HA LYS 70 HA LYS 70 -29.857 27.713 -14.877 635 HB2 LYS 70 HB2 LYS 70 -30.971 29.240 -16.514 636 HB3 LYS 70 HB3 LYS 70 -31.651 27.620 -16.628 637 HG2 LYS 70 HG2 LYS 70 -33.346 28.550 -14.812 638 HG3 LYS 70 HG3 LYS 70 -32.868 30.110 -15.475 639 HD2 LYS 70 HD2 LYS 70 -34.783 29.374 -16.742 640 HD3 LYS 70 HD3 LYS 70 -33.378 29.170 -17.780 641 HE2 LYS 70 HE2 LYS 70 -33.780 26.805 -16.143 642 HE3 LYS 70 HE3 LYS 70 -35.240 27.183 -17.049 643 HZ1 LYS 70 HZ1 LYS 70 -34.258 26.737 -18.998 644 HZ2 LYS 70 HZ2 LYS 70 -33.203 25.807 -18.046 645 HZ3 LYS 70 HZ3 LYS 70 -32.755 27.373 -18.530 646 H THR 71 H THR 71 -29.116 29.946 -14.793 647 HA THR 71 HA THR 71 -30.545 31.740 -12.937 648 HB THR 71 HB THR 71 -28.122 31.889 -11.696 649 HG1 THR 71 HG1 THR 71 -27.583 29.480 -11.716 650 HG21 THR 71 HG21 THR 71 -29.865 29.410 -11.241 651 HG22 THR 71 HG22 THR 71 -30.402 31.006 -10.726 652 HG23 THR 71 HG23 THR 71 -28.947 30.301 -10.030 653 H THR 72 H THR 72 -28.351 33.415 -12.384 654 HA THR 72 HA THR 72 -27.148 34.140 -14.968 655 HB THR 72 HB THR 72 -29.156 35.978 -13.520 656 HG1 THR 72 HG1 THR 72 -29.102 34.268 -15.726 657 HG21 THR 72 HG21 THR 72 -27.827 36.402 -16.240 658 HG22 THR 72 HG22 THR 72 -27.054 37.018 -14.783 659 HG23 THR 72 HG23 THR 72 -28.651 37.598 -15.243 660 H SER 73 H SER 73 -25.134 34.048 -14.056 661 HA SER 73 HA SER 73 -24.622 35.578 -11.574 662 HB2 SER 73 HB2 SER 73 -22.826 33.809 -13.325 663 HB3 SER 73 HB3 SER 73 -22.311 34.559 -11.803 664 HG SER 73 HG SER 73 -24.025 33.503 -10.768 Start of MODEL 5 1 HA MET 1 HA MET 1 -20.681 0.085 -1.618 2 H SER 2 H SER 2 -18.488 -1.616 -1.942 3 HA SER 2 HA SER 2 -19.234 -4.389 -1.650 4 HB2 SER 2 HB2 SER 2 -20.849 -3.561 -3.476 5 HB3 SER 2 HB3 SER 2 -19.426 -3.256 -4.491 6 HG SER 2 HG SER 2 -20.625 -5.559 -4.078 7 H HIS 3 H HIS 3 -17.542 -5.722 -2.117 8 HA HIS 3 HA HIS 3 -15.266 -6.231 -2.398 9 HB2 HIS 3 HB2 HIS 3 -15.634 -4.399 -4.824 10 HB3 HIS 3 HB3 HIS 3 -14.434 -5.675 -4.654 11 HD1 HIS 3 HD1 HIS 3 -18.012 -5.229 -5.231 12 HD2 HIS 3 HD2 HIS 3 -15.384 -8.309 -4.995 13 HE1 HIS 3 HE1 HIS 3 -19.235 -7.145 -6.063 14 H MET 4 H MET 4 -13.756 -4.052 -4.106 15 HA MET 4 HA MET 4 -12.163 -2.424 -3.561 16 HB2 MET 4 HB2 MET 4 -14.428 -1.195 -3.335 17 HB3 MET 4 HB3 MET 4 -14.290 -1.451 -1.600 18 HG2 MET 4 HG2 MET 4 -12.355 -0.131 -1.435 19 HG3 MET 4 HG3 MET 4 -12.017 -0.246 -3.140 20 HE1 MET 4 HE1 MET 4 -13.107 3.342 -1.191 21 HE2 MET 4 HE2 MET 4 -11.629 2.467 -1.592 22 HE3 MET 4 HE3 MET 4 -12.765 1.792 -0.423 23 H LEU 5 H LEU 5 -11.229 -4.462 -2.409 24 HA LEU 5 HA LEU 5 -11.290 -4.772 0.391 25 HB2 LEU 5 HB2 LEU 5 -8.784 -5.065 -1.328 26 HB3 LEU 5 HB3 LEU 5 -9.196 -5.975 0.121 27 HG LEU 5 HG LEU 5 -10.685 -6.075 -2.524 28 HD11 LEU 5 HD11 LEU 5 -8.515 -7.263 -2.545 29 HD12 LEU 5 HD12 LEU 5 -9.848 -8.412 -2.571 30 HD13 LEU 5 HD13 LEU 5 -8.967 -8.121 -1.075 31 HD21 LEU 5 HD21 LEU 5 -12.291 -6.401 -0.780 32 HD22 LEU 5 HD22 LEU 5 -11.166 -7.362 0.174 33 HD23 LEU 5 HD23 LEU 5 -11.846 -8.019 -1.311 34 H GLU 6 H GLU 6 -10.314 -3.780 2.078 35 HA GLU 6 HA GLU 6 -8.185 -1.801 1.615 36 HB2 GLU 6 HB2 GLU 6 -11.038 -1.111 2.286 37 HB3 GLU 6 HB3 GLU 6 -9.785 -0.212 3.136 38 HG2 GLU 6 HG2 GLU 6 -8.719 0.207 0.842 39 HG3 GLU 6 HG3 GLU 6 -10.214 -0.409 0.143 40 H GLY 7 H GLY 7 -10.528 -2.035 4.261 41 HA2 GLY 7 HA2 GLY 7 -9.428 -3.744 6.061 42 HA3 GLY 7 HA3 GLY 7 -8.300 -2.393 6.156 43 H ARG 8 H ARG 8 -9.699 -3.110 8.391 44 HA ARG 8 HA ARG 8 -12.204 -2.019 8.902 45 HB2 ARG 8 HB2 ARG 8 -9.681 -2.022 10.625 46 HB3 ARG 8 HB3 ARG 8 -11.260 -1.559 11.252 47 HG2 ARG 8 HG2 ARG 8 -12.176 -3.753 10.662 48 HG3 ARG 8 HG3 ARG 8 -10.652 -4.218 9.916 49 HD2 ARG 8 HD2 ARG 8 -9.536 -4.350 11.987 50 HD3 ARG 8 HD3 ARG 8 -10.723 -3.330 12.800 51 HE ARG 8 HE ARG 8 -11.637 -5.971 11.796 52 HH11 ARG 8 HH11 ARG 8 -13.311 -4.432 13.635 53 HH12 ARG 8 HH12 ARG 8 -12.939 -5.110 15.185 54 HH21 ARG 8 HH21 ARG 8 -9.987 -6.615 14.042 55 HH22 ARG 8 HH22 ARG 8 -11.007 -6.378 15.422 56 H LYS 9 H LYS 9 -13.013 -0.019 9.449 57 HA LYS 9 HA LYS 9 -11.597 2.242 8.291 58 HB2 LYS 9 HB2 LYS 9 -14.195 1.764 8.407 59 HB3 LYS 9 HB3 LYS 9 -14.084 2.432 10.023 60 HG2 LYS 9 HG2 LYS 9 -14.688 4.219 8.451 61 HG3 LYS 9 HG3 LYS 9 -13.084 4.518 9.098 62 HD2 LYS 9 HD2 LYS 9 -13.454 4.785 6.523 63 HD3 LYS 9 HD3 LYS 9 -12.017 3.941 7.065 64 HE2 LYS 9 HE2 LYS 9 -12.991 1.794 6.599 65 HE3 LYS 9 HE3 LYS 9 -14.595 2.494 6.400 66 HZ1 LYS 9 HZ1 LYS 9 -13.067 3.838 4.599 67 HZ2 LYS 9 HZ2 LYS 9 -14.119 2.551 4.252 68 HZ3 LYS 9 HZ3 LYS 9 -12.468 2.252 4.510 69 H LYS 10 H LYS 10 -10.993 4.149 9.374 70 HA LYS 10 HA LYS 10 -10.146 3.654 12.188 71 HB2 LYS 10 HB2 LYS 10 -9.153 6.153 11.068 72 HB3 LYS 10 HB3 LYS 10 -8.229 4.726 11.524 73 HG2 LYS 10 HG2 LYS 10 -8.704 3.696 9.344 74 HG3 LYS 10 HG3 LYS 10 -9.691 5.077 8.888 75 HD2 LYS 10 HD2 LYS 10 -7.882 6.360 8.383 76 HD3 LYS 10 HD3 LYS 10 -7.010 5.848 9.821 77 HE2 LYS 10 HE2 LYS 10 -7.329 3.784 7.694 78 HE3 LYS 10 HE3 LYS 10 -6.269 5.132 7.306 79 HZ1 LYS 10 HZ1 LYS 10 -5.332 3.065 8.504 80 HZ2 LYS 10 HZ2 LYS 10 -5.994 3.776 9.898 81 HZ3 LYS 10 HZ3 LYS 10 -4.829 4.614 8.990 82 H ARG 11 H ARG 11 -10.234 5.530 13.668 83 HA ARG 11 HA ARG 11 -12.918 6.601 13.723 84 HB2 ARG 11 HB2 ARG 11 -11.996 7.894 15.719 85 HB3 ARG 11 HB3 ARG 11 -11.703 6.162 15.819 86 HG2 ARG 11 HG2 ARG 11 -9.442 6.670 14.664 87 HG3 ARG 11 HG3 ARG 11 -9.754 8.351 15.085 88 HD2 ARG 11 HD2 ARG 11 -9.610 6.014 17.020 89 HD3 ARG 11 HD3 ARG 11 -8.431 7.315 16.864 90 HE ARG 11 HE ARG 11 -10.978 8.480 17.387 91 HH11 ARG 11 HH11 ARG 11 -11.051 6.129 19.236 92 HH12 ARG 11 HH12 ARG 11 -10.313 6.762 20.669 93 HH21 ARG 11 HH21 ARG 11 -8.933 9.509 18.984 94 HH22 ARG 11 HH22 ARG 11 -9.081 8.728 20.522 95 H VAL 12 H VAL 12 -10.081 7.551 12.174 96 HA VAL 12 HA VAL 12 -11.282 10.211 11.566 97 HB VAL 12 HB VAL 12 -9.513 10.633 13.210 98 HG11 VAL 12 HG11 VAL 12 -8.205 8.441 11.747 99 HG12 VAL 12 HG12 VAL 12 -7.972 8.972 13.404 100 HG13 VAL 12 HG13 VAL 12 -7.114 9.777 12.099 101 HG21 VAL 12 HG21 VAL 12 -9.602 11.821 10.767 102 HG22 VAL 12 HG22 VAL 12 -7.949 11.222 10.744 103 HG23 VAL 12 HG23 VAL 12 -8.474 12.305 12.026 104 HA PRO 13 HA PRO 13 -10.188 7.693 7.834 105 HB2 PRO 13 HB2 PRO 13 -12.541 8.980 6.651 106 HB3 PRO 13 HB3 PRO 13 -12.263 7.264 6.938 107 HG2 PRO 13 HG2 PRO 13 -14.043 8.965 8.396 108 HG3 PRO 13 HG3 PRO 13 -13.608 7.304 8.809 109 HD2 PRO 13 HD2 PRO 13 -12.773 9.774 10.112 110 HD3 PRO 13 HD3 PRO 13 -12.475 8.106 10.632 111 H TYR 14 H TYR 14 -9.905 8.493 5.598 112 HA TYR 14 HA TYR 14 -9.340 11.418 5.509 113 HB2 TYR 14 HB2 TYR 14 -7.623 9.037 4.692 114 HB3 TYR 14 HB3 TYR 14 -7.356 10.629 3.980 115 HD1 TYR 14 HD1 TYR 14 -7.465 12.599 5.875 116 HD2 TYR 14 HD2 TYR 14 -6.314 8.561 6.576 117 HE1 TYR 14 HE1 TYR 14 -6.277 13.291 7.906 118 HE2 TYR 14 HE2 TYR 14 -5.126 9.257 8.608 119 HH TYR 14 HH TYR 14 -5.530 12.302 10.028 120 H THR 15 H THR 15 -11.310 11.626 4.501 121 HA THR 15 HA THR 15 -11.283 11.680 1.672 122 HB THR 15 HB THR 15 -12.583 9.284 3.036 123 HG1 THR 15 HG1 THR 15 -11.641 8.348 1.253 124 HG21 THR 15 HG21 THR 15 -14.546 10.133 1.900 125 HG22 THR 15 HG22 THR 15 -13.797 9.108 0.679 126 HG23 THR 15 HG23 THR 15 -13.583 10.854 0.614 127 H LYS 16 H LYS 16 -13.241 11.281 4.567 128 HA LYS 16 HA LYS 16 -15.367 12.995 3.543 129 HB2 LYS 16 HB2 LYS 16 -15.558 11.091 5.338 130 HB3 LYS 16 HB3 LYS 16 -14.868 12.258 6.462 131 HG2 LYS 16 HG2 LYS 16 -16.764 13.828 5.406 132 HG3 LYS 16 HG3 LYS 16 -17.539 12.274 5.110 133 HD2 LYS 16 HD2 LYS 16 -16.410 13.022 7.819 134 HD3 LYS 16 HD3 LYS 16 -18.066 13.396 7.360 135 HE2 LYS 16 HE2 LYS 16 -18.456 10.986 6.876 136 HE3 LYS 16 HE3 LYS 16 -16.813 10.629 7.396 137 HZ1 LYS 16 HZ1 LYS 16 -18.972 10.619 8.993 138 HZ2 LYS 16 HZ2 LYS 16 -18.338 12.166 9.292 139 HZ3 LYS 16 HZ3 LYS 16 -17.371 10.790 9.531 140 H VAL 17 H VAL 17 -12.898 13.202 6.111 141 HA VAL 17 HA VAL 17 -13.359 15.976 6.677 142 HB VAL 17 HB VAL 17 -10.822 14.257 6.935 143 HG11 VAL 17 HG11 VAL 17 -10.114 16.533 7.079 144 HG12 VAL 17 HG12 VAL 17 -10.303 16.010 8.750 145 HG13 VAL 17 HG13 VAL 17 -11.546 17.001 7.992 146 HG21 VAL 17 HG21 VAL 17 -11.525 13.897 9.227 147 HG22 VAL 17 HG22 VAL 17 -12.885 13.493 8.184 148 HG23 VAL 17 HG23 VAL 17 -12.862 15.029 9.044 149 H GLN 18 H GLN 18 -11.671 14.136 4.367 150 HA GLN 18 HA GLN 18 -9.913 16.101 3.208 151 HB2 GLN 18 HB2 GLN 18 -10.472 13.404 2.904 152 HB3 GLN 18 HB3 GLN 18 -11.347 14.022 1.530 153 HG2 GLN 18 HG2 GLN 18 -9.426 14.654 0.423 154 HG3 GLN 18 HG3 GLN 18 -8.581 15.025 1.914 155 HE21 GLN 18 HE21 GLN 18 -7.257 13.410 2.815 156 HE22 GLN 18 HE22 GLN 18 -7.132 11.837 2.191 157 H LEU 19 H LEU 19 -13.161 14.937 2.241 158 HA LEU 19 HA LEU 19 -13.528 17.046 0.302 159 HB2 LEU 19 HB2 LEU 19 -15.130 14.800 1.467 160 HB3 LEU 19 HB3 LEU 19 -16.081 16.161 0.886 161 HG LEU 19 HG LEU 19 -15.547 14.285 -0.815 162 HD11 LEU 19 HD11 LEU 19 -16.396 16.539 -1.435 163 HD12 LEU 19 HD12 LEU 19 -15.271 15.916 -2.635 164 HD13 LEU 19 HD13 LEU 19 -14.744 17.135 -1.485 165 HD21 LEU 19 HD21 LEU 19 -12.988 15.649 -1.382 166 HD22 LEU 19 HD22 LEU 19 -13.399 13.943 -1.504 167 HD23 LEU 19 HD23 LEU 19 -12.985 14.639 0.058 168 H LYS 20 H LYS 20 -13.862 16.845 3.688 169 HA LYS 20 HA LYS 20 -15.794 19.079 3.834 170 HB2 LYS 20 HB2 LYS 20 -15.580 17.010 5.480 171 HB3 LYS 20 HB3 LYS 20 -14.255 17.920 6.189 172 HG2 LYS 20 HG2 LYS 20 -15.707 19.780 6.705 173 HG3 LYS 20 HG3 LYS 20 -17.025 19.083 5.770 174 HD2 LYS 20 HD2 LYS 20 -17.250 17.243 7.335 175 HD3 LYS 20 HD3 LYS 20 -15.793 17.730 8.192 176 HE2 LYS 20 HE2 LYS 20 -17.629 18.558 9.498 177 HE3 LYS 20 HE3 LYS 20 -16.966 19.955 8.661 178 HZ1 LYS 20 HZ1 LYS 20 -18.688 19.702 6.974 179 HZ2 LYS 20 HZ2 LYS 20 -19.355 19.936 8.518 180 HZ3 LYS 20 HZ3 LYS 20 -19.341 18.386 7.825 181 H GLU 21 H GLU 21 -12.372 18.422 4.328 182 HA GLU 21 HA GLU 21 -11.857 21.101 5.412 183 HB2 GLU 21 HB2 GLU 21 -10.433 18.941 5.798 184 HB3 GLU 21 HB3 GLU 21 -9.827 19.181 4.161 185 HG2 GLU 21 HG2 GLU 21 -8.890 21.322 4.734 186 HG3 GLU 21 HG3 GLU 21 -9.722 21.341 6.287 187 H LEU 22 H LEU 22 -12.349 19.616 2.491 188 HA LEU 22 HA LEU 22 -10.878 21.558 0.870 189 HB2 LEU 22 HB2 LEU 22 -10.903 19.350 0.002 190 HB3 LEU 22 HB3 LEU 22 -12.583 19.101 0.440 191 HG LEU 22 HG LEU 22 -13.298 20.659 -1.308 192 HD11 LEU 22 HD11 LEU 22 -11.077 21.079 -2.895 193 HD12 LEU 22 HD12 LEU 22 -10.404 21.235 -1.279 194 HD13 LEU 22 HD13 LEU 22 -11.732 22.268 -1.778 195 HD21 LEU 22 HD21 LEU 22 -12.453 18.129 -1.605 196 HD22 LEU 22 HD22 LEU 22 -11.314 18.930 -2.677 197 HD23 LEU 22 HD23 LEU 22 -13.027 19.076 -2.965 198 H GLU 23 H GLU 23 -14.211 20.657 1.640 199 HA GLU 23 HA GLU 23 -15.396 22.651 -0.079 200 HB2 GLU 23 HB2 GLU 23 -16.651 20.648 0.775 201 HB3 GLU 23 HB3 GLU 23 -16.482 21.240 2.424 202 HG2 GLU 23 HG2 GLU 23 -17.793 23.245 1.865 203 HG3 GLU 23 HG3 GLU 23 -17.910 22.718 0.187 204 H ARG 24 H ARG 24 -13.889 22.638 2.970 205 HA ARG 24 HA ARG 24 -15.159 25.091 3.931 206 HB2 ARG 24 HB2 ARG 24 -13.126 23.116 4.868 207 HB3 ARG 24 HB3 ARG 24 -12.864 24.762 5.432 208 HG2 ARG 24 HG2 ARG 24 -14.301 23.497 7.001 209 HG3 ARG 24 HG3 ARG 24 -15.175 24.845 6.289 210 HD2 ARG 24 HD2 ARG 24 -15.656 22.798 4.483 211 HD3 ARG 24 HD3 ARG 24 -15.671 21.961 6.032 212 HE ARG 24 HE ARG 24 -17.648 23.890 5.122 213 HH11 ARG 24 HH11 ARG 24 -15.778 23.391 7.878 214 HH12 ARG 24 HH12 ARG 24 -17.109 23.297 8.983 215 HH21 ARG 24 HH21 ARG 24 -19.499 23.385 6.421 216 HH22 ARG 24 HH22 ARG 24 -19.272 23.296 8.136 217 H GLU 25 H GLU 25 -11.905 24.171 2.812 218 HA GLU 25 HA GLU 25 -10.834 26.799 2.852 219 HB2 GLU 25 HB2 GLU 25 -10.223 24.525 0.898 220 HB3 GLU 25 HB3 GLU 25 -9.172 25.896 1.235 221 HG2 GLU 25 HG2 GLU 25 -10.057 24.384 3.629 222 HG3 GLU 25 HG3 GLU 25 -8.992 23.499 2.537 223 H TYR 26 H TYR 26 -13.103 25.277 0.772 224 HA TYR 26 HA TYR 26 -12.675 27.218 -1.409 225 HB2 TYR 26 HB2 TYR 26 -13.904 24.644 -1.147 226 HB3 TYR 26 HB3 TYR 26 -15.204 25.760 -1.557 227 HD1 TYR 26 HD1 TYR 26 -14.290 27.641 -3.376 228 HD2 TYR 26 HD2 TYR 26 -12.920 23.635 -3.007 229 HE1 TYR 26 HE1 TYR 26 -13.498 27.698 -5.694 230 HE2 TYR 26 HE2 TYR 26 -12.122 23.699 -5.320 231 HH TYR 26 HH TYR 26 -11.570 25.116 -7.040 232 H ALA 27 H ALA 27 -15.029 26.509 1.111 233 HA ALA 27 HA ALA 27 -16.785 28.681 0.378 234 HB1 ALA 27 HB1 ALA 27 -16.554 27.529 3.184 235 HB2 ALA 27 HB2 ALA 27 -17.228 26.548 1.885 236 HB3 ALA 27 HB3 ALA 27 -18.004 28.063 2.339 237 H THR 28 H THR 28 -13.762 28.517 1.841 238 HA THR 28 HA THR 28 -14.029 30.752 3.661 239 HB THR 28 HB THR 28 -11.763 29.087 2.515 240 HG1 THR 28 HG1 THR 28 -11.419 28.969 4.752 241 HG21 THR 28 HG21 THR 28 -10.143 30.651 3.690 242 HG22 THR 28 HG22 THR 28 -11.457 31.793 3.948 243 HG23 THR 28 HG23 THR 28 -10.897 31.453 2.315 244 H ASN 29 H ASN 29 -12.978 30.309 0.334 245 HA ASN 29 HA ASN 29 -13.552 33.137 -0.187 246 HB2 ASN 29 HB2 ASN 29 -11.234 33.285 0.644 247 HB3 ASN 29 HB3 ASN 29 -10.730 31.984 -0.432 248 HD21 ASN 29 HD21 ASN 29 -11.394 35.399 -0.225 249 HD22 ASN 29 HD22 ASN 29 -11.036 35.776 -1.841 250 H LYS 30 H LYS 30 -11.427 30.756 -1.724 251 HA LYS 30 HA LYS 30 -13.302 29.935 -3.730 252 HB2 LYS 30 HB2 LYS 30 -12.730 32.465 -4.299 253 HB3 LYS 30 HB3 LYS 30 -11.174 31.827 -4.817 254 HG2 LYS 30 HG2 LYS 30 -12.515 30.151 -6.233 255 HG3 LYS 30 HG3 LYS 30 -13.914 31.169 -5.912 256 HD2 LYS 30 HD2 LYS 30 -12.999 33.009 -7.063 257 HD3 LYS 30 HD3 LYS 30 -11.356 32.390 -6.935 258 HE2 LYS 30 HE2 LYS 30 -13.559 31.103 -8.579 259 HE3 LYS 30 HE3 LYS 30 -12.296 32.138 -9.235 260 HZ1 LYS 30 HZ1 LYS 30 -12.174 29.419 -8.818 261 HZ2 LYS 30 HZ2 LYS 30 -11.170 30.100 -7.631 262 HZ3 LYS 30 HZ3 LYS 30 -10.901 30.447 -9.271 263 H PHE 31 H PHE 31 -9.929 30.743 -3.108 264 HA PHE 31 HA PHE 31 -9.218 27.956 -3.557 265 HB2 PHE 31 HB2 PHE 31 -9.025 29.632 -5.751 266 HB3 PHE 31 HB3 PHE 31 -7.418 29.811 -5.039 267 HD1 PHE 31 HD1 PHE 31 -6.174 27.668 -4.396 268 HD2 PHE 31 HD2 PHE 31 -9.569 27.646 -6.945 269 HE1 PHE 31 HE1 PHE 31 -5.663 25.369 -5.038 270 HE2 PHE 31 HE2 PHE 31 -9.041 25.342 -7.606 271 HZ PHE 31 HZ PHE 31 -7.116 24.202 -6.603 272 H ILE 32 H ILE 32 -7.002 27.537 -2.924 273 HA ILE 32 HA ILE 32 -6.144 29.498 -0.848 274 HB ILE 32 HB ILE 32 -4.922 26.972 -0.384 275 HG12 ILE 32 HG12 ILE 32 -7.043 25.562 -0.250 276 HG13 ILE 32 HG13 ILE 32 -7.811 26.737 -1.300 277 HG21 ILE 32 HG21 ILE 32 -7.480 28.202 0.780 278 HG22 ILE 32 HG22 ILE 32 -5.850 28.607 1.292 279 HG23 ILE 32 HG23 ILE 32 -6.479 26.993 1.576 280 HD11 ILE 32 HD11 ILE 32 -5.597 24.807 -1.896 281 HD12 ILE 32 HD12 ILE 32 -5.594 26.352 -2.741 282 HD13 ILE 32 HD13 ILE 32 -6.972 25.269 -2.894 283 H THR 33 H THR 33 -3.872 29.685 -0.442 284 HA THR 33 HA THR 33 -2.368 29.944 -2.918 285 HB THR 33 HB THR 33 -1.337 30.284 -0.041 286 HG1 THR 33 HG1 THR 33 -2.306 32.221 -0.144 287 HG21 THR 33 HG21 THR 33 -0.593 31.360 -2.816 288 HG22 THR 33 HG22 THR 33 0.476 30.553 -1.672 289 HG23 THR 33 HG23 THR 33 -0.092 32.188 -1.345 290 H LYS 34 H LYS 34 -0.209 29.120 -3.213 291 HA LYS 34 HA LYS 34 -0.022 26.352 -3.273 292 HB2 LYS 34 HB2 LYS 34 2.404 28.114 -2.753 293 HB3 LYS 34 HB3 LYS 34 2.311 26.671 -3.756 294 HG2 LYS 34 HG2 LYS 34 1.066 29.379 -4.320 295 HG3 LYS 34 HG3 LYS 34 2.332 28.583 -5.237 296 HD2 LYS 34 HD2 LYS 34 0.555 27.937 -6.559 297 HD3 LYS 34 HD3 LYS 34 0.462 26.640 -5.379 298 HE2 LYS 34 HE2 LYS 34 -1.470 27.482 -4.415 299 HE3 LYS 34 HE3 LYS 34 -1.010 29.147 -4.685 300 HZ1 LYS 34 HZ1 LYS 34 -1.516 28.870 -7.030 301 HZ2 LYS 34 HZ2 LYS 34 -2.870 28.539 -6.059 302 HZ3 LYS 34 HZ3 LYS 34 -1.987 27.262 -6.745 303 H ASP 35 H ASP 35 1.033 28.505 -0.678 304 HA ASP 35 HA ASP 35 2.185 26.382 0.892 305 HB2 ASP 35 HB2 ASP 35 2.606 28.874 1.252 306 HB3 ASP 35 HB3 ASP 35 0.955 29.023 1.853 307 H LYS 36 H LYS 36 -0.992 27.651 0.391 308 HA LYS 36 HA LYS 36 -2.072 26.161 2.665 309 HB2 LYS 36 HB2 LYS 36 -3.260 27.994 0.551 310 HB3 LYS 36 HB3 LYS 36 -4.271 27.130 1.707 311 HG2 LYS 36 HG2 LYS 36 -3.081 28.173 3.578 312 HG3 LYS 36 HG3 LYS 36 -1.953 28.941 2.468 313 HD2 LYS 36 HD2 LYS 36 -4.141 29.953 1.400 314 HD3 LYS 36 HD3 LYS 36 -4.846 29.581 2.971 315 HE2 LYS 36 HE2 LYS 36 -3.961 31.526 3.711 316 HE3 LYS 36 HE3 LYS 36 -2.381 30.762 3.587 317 HZ1 LYS 36 HZ1 LYS 36 -2.335 32.772 2.356 318 HZ2 LYS 36 HZ2 LYS 36 -3.757 32.376 1.517 319 HZ3 LYS 36 HZ3 LYS 36 -2.333 31.495 1.236 320 H ARG 37 H ARG 37 -1.618 25.818 -0.749 321 HA ARG 37 HA ARG 37 -3.648 23.805 -1.185 322 HB2 ARG 37 HB2 ARG 37 -1.009 24.452 -2.603 323 HB3 ARG 37 HB3 ARG 37 -2.119 23.218 -3.181 324 HG2 ARG 37 HG2 ARG 37 -3.910 24.980 -3.288 325 HG3 ARG 37 HG3 ARG 37 -2.689 26.179 -2.887 326 HD2 ARG 37 HD2 ARG 37 -2.913 26.103 -5.320 327 HD3 ARG 37 HD3 ARG 37 -1.359 25.392 -4.887 328 HE ARG 37 HE ARG 37 -3.733 23.673 -5.440 329 HH11 ARG 37 HH11 ARG 37 -1.292 24.982 -7.153 330 HH12 ARG 37 HH12 ARG 37 -0.468 23.510 -7.548 331 HH21 ARG 37 HH21 ARG 37 -2.366 21.612 -5.295 332 HH22 ARG 37 HH22 ARG 37 -1.094 21.553 -6.469 333 H ARG 38 H ARG 38 -0.271 23.845 -0.337 334 HA ARG 38 HA ARG 38 0.005 20.980 -0.277 335 HB2 ARG 38 HB2 ARG 38 1.886 22.753 -0.536 336 HB3 ARG 38 HB3 ARG 38 1.752 22.991 1.203 337 HG2 ARG 38 HG2 ARG 38 2.355 20.713 1.656 338 HG3 ARG 38 HG3 ARG 38 2.156 20.253 -0.029 339 HD2 ARG 38 HD2 ARG 38 4.340 21.954 1.192 340 HD3 ARG 38 HD3 ARG 38 4.509 20.474 0.251 341 HE ARG 38 HE ARG 38 3.571 21.898 -1.693 342 HH11 ARG 38 HH11 ARG 38 4.068 23.855 0.911 343 HH12 ARG 38 HH12 ARG 38 5.199 24.929 0.158 344 HH21 ARG 38 HH21 ARG 38 5.545 22.897 -2.676 345 HH22 ARG 38 HH22 ARG 38 6.060 24.370 -1.927 346 H ARG 39 H ARG 39 -0.923 23.439 2.051 347 HA ARG 39 HA ARG 39 -0.465 21.905 4.408 348 HB2 ARG 39 HB2 ARG 39 -2.143 24.236 3.623 349 HB3 ARG 39 HB3 ARG 39 -2.798 23.304 4.958 350 HG2 ARG 39 HG2 ARG 39 -0.988 23.765 6.346 351 HG3 ARG 39 HG3 ARG 39 0.121 23.987 4.998 352 HD2 ARG 39 HD2 ARG 39 -0.787 26.153 4.490 353 HD3 ARG 39 HD3 ARG 39 -2.164 25.899 5.561 354 HE ARG 39 HE ARG 39 0.304 25.705 7.040 355 HH11 ARG 39 HH11 ARG 39 0.245 28.195 5.159 356 HH12 ARG 39 HH12 ARG 39 -0.278 29.408 6.280 357 HH21 ARG 39 HH21 ARG 39 -1.291 27.051 8.667 358 HH22 ARG 39 HH22 ARG 39 -1.169 28.744 8.319 359 H ILE 40 H ILE 40 -3.171 22.152 2.182 360 HA ILE 40 HA ILE 40 -4.840 20.314 3.558 361 HB ILE 40 HB ILE 40 -4.586 20.631 0.538 362 HG12 ILE 40 HG12 ILE 40 -6.550 22.233 2.141 363 HG13 ILE 40 HG13 ILE 40 -4.890 22.790 2.083 364 HG21 ILE 40 HG21 ILE 40 -6.880 19.980 2.418 365 HG22 ILE 40 HG22 ILE 40 -6.014 18.827 1.409 366 HG23 ILE 40 HG23 ILE 40 -7.002 20.081 0.664 367 HD11 ILE 40 HD11 ILE 40 -6.885 22.549 -0.160 368 HD12 ILE 40 HD12 ILE 40 -5.177 22.366 -0.539 369 HD13 ILE 40 HD13 ILE 40 -5.754 23.854 0.186 370 H SER 41 H SER 41 -3.165 19.704 0.476 371 HA SER 41 HA SER 41 -3.217 16.952 0.436 372 HB2 SER 41 HB2 SER 41 -2.043 17.912 -1.405 373 HB3 SER 41 HB3 SER 41 -1.056 18.948 -0.365 374 HG SER 41 HG SER 41 -0.793 16.324 0.262 375 H ALA 42 H ALA 42 -1.427 18.900 2.700 376 HA ALA 42 HA ALA 42 0.263 16.645 3.542 377 HB1 ALA 42 HB1 ALA 42 1.356 18.734 3.861 378 HB2 ALA 42 HB2 ALA 42 0.723 18.422 5.475 379 HB3 ALA 42 HB3 ALA 42 -0.119 19.532 4.397 380 H THR 43 H THR 43 -2.651 18.280 4.511 381 HA THR 43 HA THR 43 -2.824 16.671 6.993 382 HB THR 43 HB THR 43 -4.347 19.040 5.799 383 HG1 THR 43 HG1 THR 43 -3.720 19.833 7.797 384 HG21 THR 43 HG21 THR 43 -5.202 17.148 8.060 385 HG22 THR 43 HG22 THR 43 -6.166 17.597 6.657 386 HG23 THR 43 HG23 THR 43 -5.822 18.789 7.907 387 H THR 44 H THR 44 -3.881 16.791 3.769 388 HA THR 44 HA THR 44 -6.043 14.837 4.262 389 HB THR 44 HB THR 44 -6.502 15.401 1.769 390 HG1 THR 44 HG1 THR 44 -4.956 17.626 2.111 391 HG21 THR 44 HG21 THR 44 -7.531 17.505 2.311 392 HG22 THR 44 HG22 THR 44 -6.218 17.945 3.401 393 HG23 THR 44 HG23 THR 44 -7.407 16.742 3.891 394 H ASN 45 H ASN 45 -2.878 15.205 2.942 395 HA ASN 45 HA ASN 45 -1.327 13.533 2.376 396 HB2 ASN 45 HB2 ASN 45 -3.178 12.092 3.780 397 HB3 ASN 45 HB3 ASN 45 -3.395 11.369 2.189 398 HD21 ASN 45 HD21 ASN 45 -0.899 12.111 4.647 399 HD22 ASN 45 HD22 ASN 45 0.166 10.877 4.174 400 H LEU 46 H LEU 46 -2.640 15.135 0.439 401 HA LEU 46 HA LEU 46 -3.193 13.210 -1.784 402 HB2 LEU 46 HB2 LEU 46 -3.421 16.256 -1.642 403 HB3 LEU 46 HB3 LEU 46 -3.866 15.293 -3.038 404 HG LEU 46 HG LEU 46 -5.078 14.379 -0.496 405 HD11 LEU 46 HD11 LEU 46 -6.157 16.856 -1.768 406 HD12 LEU 46 HD12 LEU 46 -5.066 16.951 -0.423 407 HD13 LEU 46 HD13 LEU 46 -6.589 16.138 -0.242 408 HD21 LEU 46 HD21 LEU 46 -6.042 14.990 -3.308 409 HD22 LEU 46 HD22 LEU 46 -7.126 14.457 -2.025 410 HD23 LEU 46 HD23 LEU 46 -5.825 13.406 -2.575 411 H SER 47 H SER 47 -2.149 16.042 -3.103 412 HA SER 47 HA SER 47 0.727 15.596 -2.942 413 HB2 SER 47 HB2 SER 47 -0.101 13.740 -4.513 414 HB3 SER 47 HB3 SER 47 -0.642 15.012 -5.624 415 HG SER 47 HG SER 47 1.466 14.557 -6.151 416 H GLU 48 H GLU 48 -1.555 17.642 -3.019 417 HA GLU 48 HA GLU 48 -1.675 19.925 -3.407 418 HB2 GLU 48 HB2 GLU 48 0.921 19.776 -4.981 419 HB3 GLU 48 HB3 GLU 48 0.325 21.077 -3.964 420 HG2 GLU 48 HG2 GLU 48 0.518 19.286 -2.032 421 HG3 GLU 48 HG3 GLU 48 1.651 18.508 -3.135 422 H ARG 49 H ARG 49 0.064 18.577 -6.150 423 HA ARG 49 HA ARG 49 -1.407 19.948 -8.097 424 HB2 ARG 49 HB2 ARG 49 -0.874 17.652 -9.409 425 HB3 ARG 49 HB3 ARG 49 0.401 18.793 -9.037 426 HG2 ARG 49 HG2 ARG 49 1.245 17.497 -7.308 427 HG3 ARG 49 HG3 ARG 49 -0.292 16.691 -7.022 428 HD2 ARG 49 HD2 ARG 49 1.508 15.277 -8.177 429 HD3 ARG 49 HD3 ARG 49 -0.047 15.345 -9.002 430 HE ARG 49 HE ARG 49 1.016 16.496 -10.768 431 HH11 ARG 49 HH11 ARG 49 3.122 15.876 -8.191 432 HH12 ARG 49 HH12 ARG 49 4.386 16.921 -8.746 433 HH21 ARG 49 HH21 ARG 49 2.469 18.164 -11.402 434 HH22 ARG 49 HH22 ARG 49 4.008 18.250 -10.610 435 H GLN 50 H GLN 50 -1.961 16.984 -6.357 436 HA GLN 50 HA GLN 50 -4.313 16.181 -7.767 437 HB2 GLN 50 HB2 GLN 50 -2.809 15.406 -5.327 438 HB3 GLN 50 HB3 GLN 50 -4.546 15.218 -5.135 439 HG2 GLN 50 HG2 GLN 50 -3.034 14.142 -7.529 440 HG3 GLN 50 HG3 GLN 50 -3.342 13.185 -6.083 441 HE21 GLN 50 HE21 GLN 50 -5.938 13.879 -5.411 442 HE22 GLN 50 HE22 GLN 50 -7.003 13.476 -6.669 443 H VAL 51 H VAL 51 -3.593 18.355 -5.115 444 HA VAL 51 HA VAL 51 -6.319 18.623 -4.256 445 HB VAL 51 HB VAL 51 -4.201 20.754 -3.920 446 HG11 VAL 51 HG11 VAL 51 -6.858 20.336 -2.988 447 HG12 VAL 51 HG12 VAL 51 -5.757 21.622 -2.515 448 HG13 VAL 51 HG13 VAL 51 -5.802 20.119 -1.597 449 HG21 VAL 51 HG21 VAL 51 -4.564 18.311 -2.150 450 HG22 VAL 51 HG22 VAL 51 -3.338 19.565 -1.989 451 HG23 VAL 51 HG23 VAL 51 -3.285 18.449 -3.351 452 H THR 52 H THR 52 -4.155 20.439 -6.284 453 HA THR 52 HA THR 52 -5.830 22.538 -6.997 454 HB THR 52 HB THR 52 -4.367 21.415 -9.276 455 HG1 THR 52 HG1 THR 52 -3.102 20.327 -7.950 456 HG21 THR 52 HG21 THR 52 -4.348 23.820 -9.149 457 HG22 THR 52 HG22 THR 52 -2.765 23.400 -8.498 458 HG23 THR 52 HG23 THR 52 -4.089 23.797 -7.407 459 H ILE 53 H ILE 53 -5.486 19.289 -8.122 460 HA ILE 53 HA ILE 53 -7.549 19.453 -10.149 461 HB ILE 53 HB ILE 53 -5.662 17.448 -8.951 462 HG12 ILE 53 HG12 ILE 53 -5.103 17.038 -11.210 463 HG13 ILE 53 HG13 ILE 53 -6.620 17.693 -11.800 464 HG21 ILE 53 HG21 ILE 53 -8.291 16.682 -10.314 465 HG22 ILE 53 HG22 ILE 53 -7.758 16.200 -8.707 466 HG23 ILE 53 HG23 ILE 53 -6.936 15.573 -10.132 467 HD11 ILE 53 HD11 ILE 53 -4.378 19.136 -11.853 468 HD12 ILE 53 HD12 ILE 53 -4.857 19.495 -10.203 469 HD13 ILE 53 HD13 ILE 53 -5.935 19.891 -11.534 470 H TRP 54 H TRP 54 -7.345 18.836 -6.785 471 HA TRP 54 HA TRP 54 -9.818 17.361 -6.529 472 HB2 TRP 54 HB2 TRP 54 -7.867 17.442 -4.863 473 HB3 TRP 54 HB3 TRP 54 -8.375 19.057 -4.441 474 HD1 TRP 54 HD1 TRP 54 -11.392 17.190 -5.065 475 HE1 TRP 54 HE1 TRP 54 -12.238 16.195 -2.901 476 HE3 TRP 54 HE3 TRP 54 -7.525 18.374 -2.265 477 HZ2 TRP 54 HZ2 TRP 54 -11.292 16.105 -0.080 478 HZ3 TRP 54 HZ3 TRP 54 -7.540 18.040 0.146 479 HH2 TRP 54 HH2 TRP 54 -9.392 16.922 1.246 480 H PHE 55 H PHE 55 -8.717 20.686 -6.252 481 HA PHE 55 HA PHE 55 -11.271 21.700 -5.367 482 HB2 PHE 55 HB2 PHE 55 -8.773 22.846 -6.589 483 HB3 PHE 55 HB3 PHE 55 -10.195 23.874 -6.451 484 HD1 PHE 55 HD1 PHE 55 -8.725 21.213 -4.291 485 HD2 PHE 55 HD2 PHE 55 -10.040 25.241 -4.552 486 HE1 PHE 55 HE1 PHE 55 -8.310 21.484 -1.907 487 HE2 PHE 55 HE2 PHE 55 -9.618 25.508 -2.158 488 HZ PHE 55 HZ PHE 55 -8.741 23.646 -0.828 489 H GLN 56 H GLN 56 -9.786 21.295 -8.533 490 HA GLN 56 HA GLN 56 -11.849 22.634 -9.992 491 HB2 GLN 56 HB2 GLN 56 -9.458 21.687 -10.685 492 HB3 GLN 56 HB3 GLN 56 -10.361 20.249 -11.112 493 HG2 GLN 56 HG2 GLN 56 -11.479 22.837 -12.088 494 HG3 GLN 56 HG3 GLN 56 -9.978 22.306 -12.839 495 HE21 GLN 56 HE21 GLN 56 -10.413 21.145 -14.691 496 HE22 GLN 56 HE22 GLN 56 -11.702 20.058 -14.892 497 H ASN 57 H ASN 57 -11.414 19.316 -8.905 498 HA ASN 57 HA ASN 57 -13.686 18.277 -10.333 499 HB2 ASN 57 HB2 ASN 57 -11.904 17.363 -8.074 500 HB3 ASN 57 HB3 ASN 57 -13.484 16.597 -8.186 501 HD21 ASN 57 HD21 ASN 57 -14.022 15.578 -10.352 502 HD22 ASN 57 HD22 ASN 57 -12.751 14.955 -11.289 503 H ARG 58 H ARG 58 -13.110 20.104 -7.564 504 HA ARG 58 HA ARG 58 -15.709 19.602 -6.351 505 HB2 ARG 58 HB2 ARG 58 -13.212 20.712 -5.577 506 HB3 ARG 58 HB3 ARG 58 -14.320 22.065 -5.561 507 HG2 ARG 58 HG2 ARG 58 -14.827 19.405 -4.183 508 HG3 ARG 58 HG3 ARG 58 -14.234 20.851 -3.367 509 HD2 ARG 58 HD2 ARG 58 -16.335 22.010 -4.416 510 HD3 ARG 58 HD3 ARG 58 -16.940 20.365 -4.611 511 HE ARG 58 HE ARG 58 -16.677 21.796 -2.088 512 HH11 ARG 58 HH11 ARG 58 -18.582 19.566 -3.168 513 HH12 ARG 58 HH12 ARG 58 -18.246 18.307 -2.024 514 HH21 ARG 58 HH21 ARG 58 -15.353 19.887 -0.829 515 HH22 ARG 58 HH22 ARG 58 -16.370 18.495 -0.665 516 H ARG 59 H ARG 59 -14.270 21.545 -8.776 517 HA ARG 59 HA ARG 59 -16.442 23.584 -8.680 518 HB2 ARG 59 HB2 ARG 59 -13.911 24.038 -9.252 519 HB3 ARG 59 HB3 ARG 59 -14.274 23.302 -10.809 520 HG2 ARG 59 HG2 ARG 59 -16.230 24.956 -10.974 521 HG3 ARG 59 HG3 ARG 59 -15.512 25.790 -9.601 522 HD2 ARG 59 HD2 ARG 59 -13.607 25.149 -11.774 523 HD3 ARG 59 HD3 ARG 59 -14.861 26.303 -12.217 524 HE ARG 59 HE ARG 59 -13.731 27.015 -9.672 525 HH11 ARG 59 HH11 ARG 59 -12.285 26.354 -12.621 526 HH12 ARG 59 HH12 ARG 59 -11.559 27.912 -12.829 527 HH21 ARG 59 HH21 ARG 59 -13.213 29.272 -10.054 528 HH22 ARG 59 HH22 ARG 59 -12.101 29.609 -11.337 529 H VAL 60 H VAL 60 -15.605 20.642 -10.012 530 HA VAL 60 HA VAL 60 -17.318 20.913 -12.376 531 HB VAL 60 HB VAL 60 -15.027 19.399 -11.682 532 HG11 VAL 60 HG11 VAL 60 -17.346 17.475 -12.095 533 HG12 VAL 60 HG12 VAL 60 -16.665 17.820 -10.510 534 HG13 VAL 60 HG13 VAL 60 -15.666 17.073 -11.749 535 HG21 VAL 60 HG21 VAL 60 -15.402 18.351 -13.947 536 HG22 VAL 60 HG22 VAL 60 -15.579 20.104 -13.948 537 HG23 VAL 60 HG23 VAL 60 -17.008 19.076 -13.966 538 H LYS 61 H LYS 61 -17.386 19.802 -9.136 539 HA LYS 61 HA LYS 61 -19.807 18.172 -9.543 540 HB2 LYS 61 HB2 LYS 61 -17.947 18.814 -7.231 541 HB3 LYS 61 HB3 LYS 61 -19.540 18.146 -6.894 542 HG2 LYS 61 HG2 LYS 61 -18.265 16.688 -9.057 543 HG3 LYS 61 HG3 LYS 61 -17.229 16.712 -7.634 544 HD2 LYS 61 HD2 LYS 61 -19.301 16.045 -6.284 545 HD3 LYS 61 HD3 LYS 61 -20.089 15.733 -7.826 546 HE2 LYS 61 HE2 LYS 61 -19.171 13.634 -7.172 547 HE3 LYS 61 HE3 LYS 61 -18.058 14.257 -8.385 548 HZ1 LYS 61 HZ1 LYS 61 -17.720 14.126 -5.462 549 HZ2 LYS 61 HZ2 LYS 61 -16.832 15.243 -6.382 550 HZ3 LYS 61 HZ3 LYS 61 -16.678 13.579 -6.687 551 H GLU 62 H GLU 62 -18.854 21.343 -8.436 552 HA GLU 62 HA GLU 62 -21.435 21.896 -7.180 553 HB2 GLU 62 HB2 GLU 62 -20.470 24.040 -6.695 554 HB3 GLU 62 HB3 GLU 62 -19.092 22.948 -6.663 555 HG2 GLU 62 HG2 GLU 62 -18.648 23.513 -9.067 556 HG3 GLU 62 HG3 GLU 62 -19.931 24.711 -8.977 557 H LYS 63 H LYS 63 -19.792 22.666 -10.195 558 HA LYS 63 HA LYS 63 -21.853 24.396 -11.199 559 HB2 LYS 63 HB2 LYS 63 -20.674 24.207 -13.328 560 HB3 LYS 63 HB3 LYS 63 -19.444 24.186 -12.070 561 HG2 LYS 63 HG2 LYS 63 -19.414 21.702 -12.153 562 HG3 LYS 63 HG3 LYS 63 -20.620 21.739 -13.434 563 HD2 LYS 63 HD2 LYS 63 -17.940 23.144 -13.642 564 HD3 LYS 63 HD3 LYS 63 -18.230 21.520 -14.254 565 HE2 LYS 63 HE2 LYS 63 -19.478 24.112 -15.171 566 HE3 LYS 63 HE3 LYS 63 -18.613 22.918 -16.130 567 HZ1 LYS 63 HZ1 LYS 63 -21.374 22.921 -15.218 568 HZ2 LYS 63 HZ2 LYS 63 -20.580 21.418 -15.234 569 HZ3 LYS 63 HZ3 LYS 63 -20.702 22.330 -16.662 570 H LYS 64 H LYS 64 -21.657 21.011 -10.856 571 HA LYS 64 HA LYS 64 -23.449 20.355 -13.056 572 HB2 LYS 64 HB2 LYS 64 -21.731 18.806 -11.842 573 HB3 LYS 64 HB3 LYS 64 -22.946 18.658 -10.578 574 HG2 LYS 64 HG2 LYS 64 -24.592 17.892 -12.288 575 HG3 LYS 64 HG3 LYS 64 -23.329 17.977 -13.512 576 HD2 LYS 64 HD2 LYS 64 -23.489 15.677 -12.718 577 HD3 LYS 64 HD3 LYS 64 -21.972 16.363 -12.145 578 HE2 LYS 64 HE2 LYS 64 -22.714 16.511 -9.943 579 HE3 LYS 64 HE3 LYS 64 -24.405 16.631 -10.412 580 HZ1 LYS 64 HZ1 LYS 64 -23.443 14.162 -11.283 581 HZ2 LYS 64 HZ2 LYS 64 -24.608 14.475 -10.087 582 HZ3 LYS 64 HZ3 LYS 64 -22.967 14.353 -9.665 583 H VAL 65 H VAL 65 -23.804 21.245 -9.711 584 HA VAL 65 HA VAL 65 -26.504 20.263 -9.403 585 HB VAL 65 HB VAL 65 -25.188 22.624 -7.965 586 HG11 VAL 65 HG11 VAL 65 -27.645 21.013 -7.620 587 HG12 VAL 65 HG12 VAL 65 -27.277 22.634 -7.039 588 HG13 VAL 65 HG13 VAL 65 -26.703 21.228 -6.149 589 HG21 VAL 65 HG21 VAL 65 -24.173 21.083 -6.459 590 HG22 VAL 65 HG22 VAL 65 -23.842 20.415 -8.054 591 HG23 VAL 65 HG23 VAL 65 -25.130 19.735 -7.064 592 H ILE 66 H ILE 66 -25.978 21.822 -11.844 593 HA ILE 66 HA ILE 66 -27.770 24.171 -11.398 594 HB ILE 66 HB ILE 66 -26.030 23.389 -13.794 595 HG12 ILE 66 HG12 ILE 66 -24.947 24.106 -11.526 596 HG13 ILE 66 HG13 ILE 66 -24.409 24.891 -13.003 597 HG21 ILE 66 HG21 ILE 66 -26.493 25.846 -14.404 598 HG22 ILE 66 HG22 ILE 66 -27.695 25.872 -13.116 599 HG23 ILE 66 HG23 ILE 66 -27.906 24.803 -14.496 600 HD11 ILE 66 HD11 ILE 66 -26.596 26.016 -11.223 601 HD12 ILE 66 HD12 ILE 66 -25.799 26.825 -12.567 602 HD13 ILE 66 HD13 ILE 66 -24.904 26.482 -11.091 603 H ASN 67 H ASN 67 -27.389 21.275 -13.405 604 HA ASN 67 HA ASN 67 -29.719 21.724 -15.017 605 HB2 ASN 67 HB2 ASN 67 -28.122 20.053 -15.745 606 HB3 ASN 67 HB3 ASN 67 -28.200 19.204 -14.204 607 HD21 ASN 67 HD21 ASN 67 -30.344 18.144 -13.678 608 HD22 ASN 67 HD22 ASN 67 -31.315 17.595 -14.957 609 H LYS 68 H LYS 68 -29.381 20.894 -11.749 610 HA LYS 68 HA LYS 68 -32.303 20.314 -11.614 611 HB2 LYS 68 HB2 LYS 68 -31.365 18.703 -9.613 612 HB3 LYS 68 HB3 LYS 68 -31.626 18.110 -11.249 613 HG2 LYS 68 HG2 LYS 68 -29.300 18.432 -11.816 614 HG3 LYS 68 HG3 LYS 68 -28.997 19.305 -10.318 615 HD2 LYS 68 HD2 LYS 68 -28.209 17.147 -9.811 616 HD3 LYS 68 HD3 LYS 68 -29.844 17.113 -9.162 617 HE2 LYS 68 HE2 LYS 68 -29.248 15.097 -10.570 618 HE3 LYS 68 HE3 LYS 68 -30.675 15.965 -11.122 619 HZ1 LYS 68 HZ1 LYS 68 -28.349 17.050 -12.304 620 HZ2 LYS 68 HZ2 LYS 68 -29.708 16.360 -13.051 621 HZ3 LYS 68 HZ3 LYS 68 -28.409 15.375 -12.576 622 H LEU 69 H LEU 69 -32.759 20.115 -9.032 623 HA LEU 69 HA LEU 69 -33.121 21.555 -7.198 624 HB2 LEU 69 HB2 LEU 69 -30.093 21.902 -7.331 625 HB3 LEU 69 HB3 LEU 69 -31.106 21.822 -5.894 626 HG LEU 69 HG LEU 69 -30.428 19.562 -7.801 627 HD11 LEU 69 HD11 LEU 69 -28.783 20.031 -6.017 628 HD12 LEU 69 HD12 LEU 69 -29.608 18.506 -5.708 629 HD13 LEU 69 HD13 LEU 69 -30.061 19.949 -4.809 630 HD21 LEU 69 HD21 LEU 69 -32.581 19.796 -5.689 631 HD22 LEU 69 HD22 LEU 69 -31.920 18.234 -6.160 632 HD23 LEU 69 HD23 LEU 69 -32.743 19.237 -7.351 633 H LYS 70 H LYS 70 -31.424 23.742 -6.378 634 HA LYS 70 HA LYS 70 -31.237 25.635 -8.580 635 HB2 LYS 70 HB2 LYS 70 -33.796 25.321 -7.762 636 HB3 LYS 70 HB3 LYS 70 -33.282 26.463 -6.528 637 HG2 LYS 70 HG2 LYS 70 -33.874 27.994 -8.152 638 HG3 LYS 70 HG3 LYS 70 -32.232 27.684 -8.700 639 HD2 LYS 70 HD2 LYS 70 -33.550 25.634 -9.923 640 HD3 LYS 70 HD3 LYS 70 -34.808 26.865 -9.914 641 HE2 LYS 70 HE2 LYS 70 -32.123 26.906 -11.259 642 HE3 LYS 70 HE3 LYS 70 -33.687 27.405 -11.889 643 HZ1 LYS 70 HZ1 LYS 70 -31.889 28.855 -10.062 644 HZ2 LYS 70 HZ2 LYS 70 -33.544 29.226 -10.125 645 HZ3 LYS 70 HZ3 LYS 70 -32.585 29.382 -11.519 646 H THR 71 H THR 71 -31.474 28.011 -7.241 647 HA THR 71 HA THR 71 -29.205 27.792 -5.326 648 HB THR 71 HB THR 71 -29.302 30.441 -5.756 649 HG1 THR 71 HG1 THR 71 -30.805 30.921 -7.153 650 HG21 THR 71 HG21 THR 71 -28.708 28.447 -8.025 651 HG22 THR 71 HG22 THR 71 -27.540 28.957 -6.811 652 HG23 THR 71 HG23 THR 71 -28.147 30.114 -7.990 653 H THR 72 H THR 72 -32.240 27.451 -4.851 654 HA THR 72 HA THR 72 -33.839 28.147 -3.266 655 HB THR 72 HB THR 72 -32.542 28.526 -0.945 656 HG1 THR 72 HG1 THR 72 -30.399 27.925 -1.171 657 HG21 THR 72 HG21 THR 72 -32.280 26.137 -0.725 658 HG22 THR 72 HG22 THR 72 -31.812 25.950 -2.412 659 HG23 THR 72 HG23 THR 72 -33.495 26.256 -1.994 660 H SER 73 H SER 73 -31.522 30.066 -1.577 661 HA SER 73 HA SER 73 -32.526 32.566 -2.804 662 HB2 SER 73 HB2 SER 73 -34.123 31.947 -0.914 663 HB3 SER 73 HB3 SER 73 -32.752 32.034 0.209 664 HG SER 73 HG SER 73 -33.490 34.088 -1.604 Start of MODEL 6 1 HA MET 1 HA MET 1 -0.614 -7.520 18.507 2 H SER 2 H SER 2 -1.987 -8.860 17.493 3 HA SER 2 HA SER 2 -3.841 -7.809 15.456 4 HB2 SER 2 HB2 SER 2 -3.353 -10.630 16.561 5 HB3 SER 2 HB3 SER 2 -4.452 -10.261 15.218 6 HG SER 2 HG SER 2 -2.697 -9.284 14.145 7 H HIS 3 H HIS 3 -5.977 -9.587 15.868 8 HA HIS 3 HA HIS 3 -8.020 -9.690 17.000 9 HB2 HIS 3 HB2 HIS 3 -6.090 -10.305 18.844 10 HB3 HIS 3 HB3 HIS 3 -6.771 -8.865 19.596 11 HD1 HIS 3 HD1 HIS 3 -8.260 -9.897 21.263 12 HD2 HIS 3 HD2 HIS 3 -8.822 -11.661 17.659 13 HE1 HIS 3 HE1 HIS 3 -10.162 -11.359 21.588 14 H MET 4 H MET 4 -6.391 -6.973 16.449 15 HA MET 4 HA MET 4 -8.699 -5.303 17.089 16 HB2 MET 4 HB2 MET 4 -6.682 -5.555 19.052 17 HB3 MET 4 HB3 MET 4 -6.311 -4.032 18.251 18 HG2 MET 4 HG2 MET 4 -9.049 -4.797 19.267 19 HG3 MET 4 HG3 MET 4 -7.909 -3.861 20.193 20 HE1 MET 4 HE1 MET 4 -9.653 -2.579 20.759 21 HE2 MET 4 HE2 MET 4 -10.354 -1.234 19.857 22 HE3 MET 4 HE3 MET 4 -8.679 -1.154 20.403 23 H LEU 5 H LEU 5 -8.716 -3.398 15.932 24 HA LEU 5 HA LEU 5 -8.114 -1.909 14.233 25 HB2 LEU 5 HB2 LEU 5 -5.915 -2.083 15.886 26 HB3 LEU 5 HB3 LEU 5 -5.213 -2.635 14.373 27 HG LEU 5 HG LEU 5 -6.894 -0.121 14.510 28 HD11 LEU 5 HD11 LEU 5 -4.582 1.024 14.524 29 HD12 LEU 5 HD12 LEU 5 -3.952 -0.519 15.092 30 HD13 LEU 5 HD13 LEU 5 -5.142 0.353 16.053 31 HD21 LEU 5 HD21 LEU 5 -4.918 -1.355 12.582 32 HD22 LEU 5 HD22 LEU 5 -5.298 0.363 12.519 33 HD23 LEU 5 HD23 LEU 5 -6.569 -0.830 12.267 34 H GLU 6 H GLU 6 -8.800 -4.587 13.582 35 HA GLU 6 HA GLU 6 -6.958 -5.676 11.648 36 HB2 GLU 6 HB2 GLU 6 -8.999 -7.010 10.934 37 HB3 GLU 6 HB3 GLU 6 -8.715 -7.079 12.669 38 HG2 GLU 6 HG2 GLU 6 -10.951 -6.512 12.733 39 HG3 GLU 6 HG3 GLU 6 -10.292 -4.885 12.577 40 H GLY 7 H GLY 7 -7.375 -2.882 11.244 41 HA2 GLY 7 HA2 GLY 7 -8.422 -2.972 8.447 42 HA3 GLY 7 HA3 GLY 7 -8.923 -1.672 9.524 43 H ARG 8 H ARG 8 -7.237 -1.846 6.981 44 HA ARG 8 HA ARG 8 -4.899 -0.287 8.030 45 HB2 ARG 8 HB2 ARG 8 -5.118 -2.232 5.689 46 HB3 ARG 8 HB3 ARG 8 -3.765 -1.119 5.861 47 HG2 ARG 8 HG2 ARG 8 -4.519 -2.809 8.221 48 HG3 ARG 8 HG3 ARG 8 -3.655 -3.575 6.894 49 HD2 ARG 8 HD2 ARG 8 -1.715 -2.431 7.331 50 HD3 ARG 8 HD3 ARG 8 -2.571 -0.949 7.752 51 HE ARG 8 HE ARG 8 -3.131 -2.712 9.841 52 HH11 ARG 8 HH11 ARG 8 -0.441 -3.829 9.281 53 HH12 ARG 8 HH12 ARG 8 0.597 -2.831 10.243 54 HH21 ARG 8 HH21 ARG 8 -1.828 -0.332 10.636 55 HH22 ARG 8 HH22 ARG 8 -0.208 -0.803 11.034 56 H LYS 9 H LYS 9 -5.590 1.756 7.719 57 HA LYS 9 HA LYS 9 -6.987 2.493 5.243 58 HB2 LYS 9 HB2 LYS 9 -6.941 4.794 6.288 59 HB3 LYS 9 HB3 LYS 9 -7.635 3.584 7.360 60 HG2 LYS 9 HG2 LYS 9 -5.234 3.314 8.297 61 HG3 LYS 9 HG3 LYS 9 -4.882 4.830 7.476 62 HD2 LYS 9 HD2 LYS 9 -6.889 4.329 9.682 63 HD3 LYS 9 HD3 LYS 9 -5.541 5.460 9.680 64 HE2 LYS 9 HE2 LYS 9 -7.377 6.862 9.236 65 HE3 LYS 9 HE3 LYS 9 -6.759 6.526 7.623 66 HZ1 LYS 9 HZ1 LYS 9 -8.794 4.756 8.783 67 HZ2 LYS 9 HZ2 LYS 9 -8.478 5.116 7.152 68 HZ3 LYS 9 HZ3 LYS 9 -9.264 6.255 8.138 69 H LYS 10 H LYS 10 -3.845 1.919 5.931 70 HA LYS 10 HA LYS 10 -2.359 4.105 5.025 71 HB2 LYS 10 HB2 LYS 10 -0.725 2.384 4.166 72 HB3 LYS 10 HB3 LYS 10 -1.321 1.974 5.770 73 HG2 LYS 10 HG2 LYS 10 -3.185 0.679 4.392 74 HG3 LYS 10 HG3 LYS 10 -1.962 0.703 3.128 75 HD2 LYS 10 HD2 LYS 10 -1.502 -0.307 5.954 76 HD3 LYS 10 HD3 LYS 10 -1.803 -1.339 4.564 77 HE2 LYS 10 HE2 LYS 10 0.215 -0.496 3.459 78 HE3 LYS 10 HE3 LYS 10 0.488 0.643 4.769 79 HZ1 LYS 10 HZ1 LYS 10 0.821 -1.173 6.284 80 HZ2 LYS 10 HZ2 LYS 10 1.860 -1.355 4.953 81 HZ3 LYS 10 HZ3 LYS 10 0.460 -2.308 5.073 82 H ARG 11 H ARG 11 -4.724 2.377 3.342 83 HA ARG 11 HA ARG 11 -3.907 3.716 0.794 84 HB2 ARG 11 HB2 ARG 11 -3.979 0.913 1.288 85 HB3 ARG 11 HB3 ARG 11 -5.442 1.251 0.369 86 HG2 ARG 11 HG2 ARG 11 -4.200 2.234 -1.427 87 HG3 ARG 11 HG3 ARG 11 -2.732 2.318 -0.463 88 HD2 ARG 11 HD2 ARG 11 -4.104 -0.259 -1.300 89 HD3 ARG 11 HD3 ARG 11 -2.677 0.419 -2.078 90 HE ARG 11 HE ARG 11 -2.609 -0.271 0.825 91 HH11 ARG 11 HH11 ARG 11 -0.869 0.436 -1.933 92 HH12 ARG 11 HH12 ARG 11 0.288 -0.842 -1.766 93 HH21 ARG 11 HH21 ARG 11 -1.454 -2.352 0.874 94 HH22 ARG 11 HH22 ARG 11 -0.052 -2.462 -0.138 95 H VAL 12 H VAL 12 -5.779 3.930 -0.726 96 HA VAL 12 HA VAL 12 -7.908 4.834 -1.102 97 HB VAL 12 HB VAL 12 -8.862 3.037 1.159 98 HG11 VAL 12 HG11 VAL 12 -10.512 4.420 -0.084 99 HG12 VAL 12 HG12 VAL 12 -10.765 2.703 -0.378 100 HG13 VAL 12 HG13 VAL 12 -9.967 3.696 -1.594 101 HG21 VAL 12 HG21 VAL 12 -7.793 1.290 0.187 102 HG22 VAL 12 HG22 VAL 12 -7.312 2.268 -1.196 103 HG23 VAL 12 HG23 VAL 12 -8.894 1.497 -1.171 104 HA PRO 13 HA PRO 13 -7.411 7.640 2.497 105 HB2 PRO 13 HB2 PRO 13 -7.980 9.807 0.613 106 HB3 PRO 13 HB3 PRO 13 -6.479 9.485 1.471 107 HG2 PRO 13 HG2 PRO 13 -6.969 9.085 -1.325 108 HG3 PRO 13 HG3 PRO 13 -5.527 8.606 -0.429 109 HD2 PRO 13 HD2 PRO 13 -7.686 6.923 -1.448 110 HD3 PRO 13 HD3 PRO 13 -6.136 6.419 -0.744 111 H TYR 14 H TYR 14 -9.509 9.365 0.267 112 HA TYR 14 HA TYR 14 -11.693 10.167 0.686 113 HB2 TYR 14 HB2 TYR 14 -12.022 7.986 -0.486 114 HB3 TYR 14 HB3 TYR 14 -11.997 7.144 1.060 115 HD1 TYR 14 HD1 TYR 14 -13.761 10.073 -0.508 116 HD2 TYR 14 HD2 TYR 14 -14.068 6.653 2.003 117 HE1 TYR 14 HE1 TYR 14 -16.171 10.467 -0.263 118 HE2 TYR 14 HE2 TYR 14 -16.476 7.047 2.246 119 HH TYR 14 HH TYR 14 -17.992 9.950 1.147 120 H THR 15 H THR 15 -10.829 11.077 2.797 121 HA THR 15 HA THR 15 -12.055 9.692 5.145 122 HB THR 15 HB THR 15 -10.206 12.077 5.436 123 HG1 THR 15 HG1 THR 15 -9.387 10.662 3.777 124 HG21 THR 15 HG21 THR 15 -10.900 10.925 7.508 125 HG22 THR 15 HG22 THR 15 -9.249 10.406 7.182 126 HG23 THR 15 HG23 THR 15 -10.599 9.348 6.786 127 H LYS 16 H LYS 16 -12.359 11.721 6.874 128 HA LYS 16 HA LYS 16 -14.584 13.206 5.635 129 HB2 LYS 16 HB2 LYS 16 -15.017 12.111 7.812 130 HB3 LYS 16 HB3 LYS 16 -13.634 12.919 8.532 131 HG2 LYS 16 HG2 LYS 16 -15.694 14.103 9.165 132 HG3 LYS 16 HG3 LYS 16 -14.726 15.127 8.113 133 HD2 LYS 16 HD2 LYS 16 -17.196 15.052 7.530 134 HD3 LYS 16 HD3 LYS 16 -16.125 14.625 6.205 135 HE2 LYS 16 HE2 LYS 16 -16.652 12.342 6.344 136 HE3 LYS 16 HE3 LYS 16 -17.163 12.463 8.023 137 HZ1 LYS 16 HZ1 LYS 16 -18.936 14.060 6.898 138 HZ2 LYS 16 HZ2 LYS 16 -19.182 12.390 7.073 139 HZ3 LYS 16 HZ3 LYS 16 -18.649 13.018 5.588 140 H VAL 17 H VAL 17 -11.470 13.733 7.151 141 HA VAL 17 HA VAL 17 -11.721 16.612 7.283 142 HB VAL 17 HB VAL 17 -10.033 15.460 8.660 143 HG11 VAL 17 HG11 VAL 17 -9.776 13.569 6.958 144 HG12 VAL 17 HG12 VAL 17 -8.287 14.102 7.725 145 HG13 VAL 17 HG13 VAL 17 -8.669 14.622 6.086 146 HG21 VAL 17 HG21 VAL 17 -8.156 16.840 8.198 147 HG22 VAL 17 HG22 VAL 17 -9.527 17.735 7.553 148 HG23 VAL 17 HG23 VAL 17 -8.475 16.833 6.467 149 H GLN 18 H GLN 18 -11.082 14.319 4.897 150 HA GLN 18 HA GLN 18 -9.552 15.885 3.015 151 HB2 GLN 18 HB2 GLN 18 -10.261 13.276 3.206 152 HB3 GLN 18 HB3 GLN 18 -11.579 13.801 2.163 153 HG2 GLN 18 HG2 GLN 18 -9.857 14.870 0.692 154 HG3 GLN 18 HG3 GLN 18 -8.625 14.064 1.652 155 HE21 GLN 18 HE21 GLN 18 -7.911 12.373 0.325 156 HE22 GLN 18 HE22 GLN 18 -8.932 11.235 -0.414 157 H LEU 19 H LEU 19 -13.018 14.933 2.947 158 HA LEU 19 HA LEU 19 -13.584 16.906 0.900 159 HB2 LEU 19 HB2 LEU 19 -15.207 15.033 2.631 160 HB3 LEU 19 HB3 LEU 19 -16.044 16.318 1.765 161 HG LEU 19 HG LEU 19 -15.908 14.204 0.433 162 HD11 LEU 19 HD11 LEU 19 -15.815 15.503 -1.430 163 HD12 LEU 19 HD12 LEU 19 -14.109 15.855 -1.173 164 HD13 LEU 19 HD13 LEU 19 -15.341 16.836 -0.384 165 HD21 LEU 19 HD21 LEU 19 -13.743 13.427 -0.336 166 HD22 LEU 19 HD22 LEU 19 -13.676 13.551 1.418 167 HD23 LEU 19 HD23 LEU 19 -12.933 14.795 0.420 168 H LYS 20 H LYS 20 -13.162 17.081 4.226 169 HA LYS 20 HA LYS 20 -15.010 19.301 4.632 170 HB2 LYS 20 HB2 LYS 20 -14.325 17.732 6.487 171 HB3 LYS 20 HB3 LYS 20 -12.675 18.316 6.339 172 HG2 LYS 20 HG2 LYS 20 -13.433 20.610 6.872 173 HG3 LYS 20 HG3 LYS 20 -15.087 20.026 7.025 174 HD2 LYS 20 HD2 LYS 20 -13.670 18.287 8.654 175 HD3 LYS 20 HD3 LYS 20 -12.855 19.823 8.922 176 HE2 LYS 20 HE2 LYS 20 -15.222 20.825 9.186 177 HE3 LYS 20 HE3 LYS 20 -15.774 19.161 9.333 178 HZ1 LYS 20 HZ1 LYS 20 -13.631 20.328 11.008 179 HZ2 LYS 20 HZ2 LYS 20 -14.409 18.835 11.220 180 HZ3 LYS 20 HZ3 LYS 20 -15.264 20.280 11.469 181 H GLU 21 H GLU 21 -11.512 18.824 4.211 182 HA GLU 21 HA GLU 21 -11.012 21.689 4.420 183 HB2 GLU 21 HB2 GLU 21 -9.440 19.383 4.517 184 HB3 GLU 21 HB3 GLU 21 -9.018 20.060 2.947 185 HG2 GLU 21 HG2 GLU 21 -7.511 21.135 4.417 186 HG3 GLU 21 HG3 GLU 21 -8.802 22.320 4.236 187 H LEU 22 H LEU 22 -12.028 19.564 1.948 188 HA LEU 22 HA LEU 22 -11.074 21.230 -0.247 189 HB2 LEU 22 HB2 LEU 22 -12.323 18.632 0.098 190 HB3 LEU 22 HB3 LEU 22 -13.284 19.553 -1.050 191 HG LEU 22 HG LEU 22 -11.568 18.362 -2.290 192 HD11 LEU 22 HD11 LEU 22 -11.007 20.149 -3.596 193 HD12 LEU 22 HD12 LEU 22 -10.244 20.991 -2.262 194 HD13 LEU 22 HD13 LEU 22 -11.982 21.072 -2.455 195 HD21 LEU 22 HD21 LEU 22 -9.848 19.395 -0.071 196 HD22 LEU 22 HD22 LEU 22 -9.108 19.215 -1.660 197 HD23 LEU 22 HD23 LEU 22 -9.828 17.822 -0.861 198 H GLU 23 H GLU 23 -14.273 20.520 1.143 199 HA GLU 23 HA GLU 23 -15.621 22.491 -0.494 200 HB2 GLU 23 HB2 GLU 23 -16.516 20.388 0.874 201 HB3 GLU 23 HB3 GLU 23 -16.706 21.566 2.167 202 HG2 GLU 23 HG2 GLU 23 -17.923 23.024 0.415 203 HG3 GLU 23 HG3 GLU 23 -18.004 21.562 -0.565 204 H ARG 24 H ARG 24 -13.887 22.738 2.499 205 HA ARG 24 HA ARG 24 -15.246 25.286 3.167 206 HB2 ARG 24 HB2 ARG 24 -13.181 23.515 4.464 207 HB3 ARG 24 HB3 ARG 24 -13.275 25.190 4.965 208 HG2 ARG 24 HG2 ARG 24 -14.713 23.587 6.321 209 HG3 ARG 24 HG3 ARG 24 -15.571 24.954 5.638 210 HD2 ARG 24 HD2 ARG 24 -16.206 23.429 3.677 211 HD3 ARG 24 HD3 ARG 24 -15.571 22.097 4.629 212 HE ARG 24 HE ARG 24 -17.344 22.480 6.259 213 HH11 ARG 24 HH11 ARG 24 -18.117 22.963 3.139 214 HH12 ARG 24 HH12 ARG 24 -19.445 24.044 3.388 215 HH21 ARG 24 HH21 ARG 24 -18.705 24.490 6.784 216 HH22 ARG 24 HH22 ARG 24 -19.790 24.931 5.508 217 H GLU 25 H GLU 25 -11.919 24.240 2.449 218 HA GLU 25 HA GLU 25 -10.835 26.849 2.348 219 HB2 GLU 25 HB2 GLU 25 -10.101 24.450 0.618 220 HB3 GLU 25 HB3 GLU 25 -9.065 25.829 0.960 221 HG2 GLU 25 HG2 GLU 25 -10.231 24.228 3.235 222 HG3 GLU 25 HG3 GLU 25 -8.788 23.649 2.404 223 H TYR 26 H TYR 26 -12.903 25.164 0.148 224 HA TYR 26 HA TYR 26 -12.282 27.000 -2.069 225 HB2 TYR 26 HB2 TYR 26 -13.139 24.469 -2.137 226 HB3 TYR 26 HB3 TYR 26 -14.727 25.210 -1.987 227 HD1 TYR 26 HD1 TYR 26 -15.035 27.337 -3.608 228 HD2 TYR 26 HD2 TYR 26 -12.303 24.146 -4.278 229 HE1 TYR 26 HE1 TYR 26 -14.997 27.876 -6.001 230 HE2 TYR 26 HE2 TYR 26 -12.268 24.683 -6.673 231 HH TYR 26 HH TYR 26 -13.011 27.356 -7.974 232 H ALA 27 H ALA 27 -14.926 26.349 0.191 233 HA ALA 27 HA ALA 27 -16.561 28.505 -0.806 234 HB1 ALA 27 HB1 ALA 27 -17.809 26.933 0.447 235 HB2 ALA 27 HB2 ALA 27 -17.542 28.167 1.675 236 HB3 ALA 27 HB3 ALA 27 -16.533 26.724 1.642 237 H THR 28 H THR 28 -13.732 28.380 1.010 238 HA THR 28 HA THR 28 -14.153 30.592 2.784 239 HB THR 28 HB THR 28 -11.632 29.321 1.557 240 HG1 THR 28 HG1 THR 28 -13.147 29.278 3.933 241 HG21 THR 28 HG21 THR 28 -11.984 31.848 3.104 242 HG22 THR 28 HG22 THR 28 -10.538 31.251 2.297 243 HG23 THR 28 HG23 THR 28 -10.935 30.691 3.918 244 H ASN 29 H ASN 29 -12.756 30.297 -0.461 245 HA ASN 29 HA ASN 29 -13.627 33.055 -1.013 246 HB2 ASN 29 HB2 ASN 29 -11.526 33.601 0.064 247 HB3 ASN 29 HB3 ASN 29 -10.680 32.300 -0.772 248 HD21 ASN 29 HD21 ASN 29 -9.778 32.776 -2.805 249 HD22 ASN 29 HD22 ASN 29 -9.993 34.248 -3.623 250 H LYS 30 H LYS 30 -10.830 31.670 -2.544 251 HA LYS 30 HA LYS 30 -12.489 30.700 -4.822 252 HB2 LYS 30 HB2 LYS 30 -11.906 33.007 -5.466 253 HB3 LYS 30 HB3 LYS 30 -10.240 32.778 -4.958 254 HG2 LYS 30 HG2 LYS 30 -10.325 32.592 -7.382 255 HG3 LYS 30 HG3 LYS 30 -10.006 30.993 -6.727 256 HD2 LYS 30 HD2 LYS 30 -12.270 30.298 -7.062 257 HD3 LYS 30 HD3 LYS 30 -12.810 31.950 -7.342 258 HE2 LYS 30 HE2 LYS 30 -10.871 30.437 -9.125 259 HE3 LYS 30 HE3 LYS 30 -12.582 30.662 -9.468 260 HZ1 LYS 30 HZ1 LYS 30 -11.828 32.447 -10.558 261 HZ2 LYS 30 HZ2 LYS 30 -10.392 32.544 -9.659 262 HZ3 LYS 30 HZ3 LYS 30 -11.835 33.170 -9.021 263 H PHE 31 H PHE 31 -9.204 31.251 -3.656 264 HA PHE 31 HA PHE 31 -8.680 28.413 -3.917 265 HB2 PHE 31 HB2 PHE 31 -8.026 29.994 -6.121 266 HB3 PHE 31 HB3 PHE 31 -6.509 29.959 -5.213 267 HD1 PHE 31 HD1 PHE 31 -5.529 27.749 -4.538 268 HD2 PHE 31 HD2 PHE 31 -8.909 27.991 -7.122 269 HE1 PHE 31 HE1 PHE 31 -5.344 25.356 -5.019 270 HE2 PHE 31 HE2 PHE 31 -8.704 25.599 -7.602 271 HZ PHE 31 HZ PHE 31 -6.946 24.295 -6.519 272 H ILE 32 H ILE 32 -6.555 27.867 -3.033 273 HA ILE 32 HA ILE 32 -5.900 29.831 -0.894 274 HB ILE 32 HB ILE 32 -4.948 27.193 -0.286 275 HG12 ILE 32 HG12 ILE 32 -7.264 26.099 -0.246 276 HG13 ILE 32 HG13 ILE 32 -7.771 27.322 -1.396 277 HG21 ILE 32 HG21 ILE 32 -6.825 27.482 1.487 278 HG22 ILE 32 HG22 ILE 32 -7.220 28.997 0.679 279 HG23 ILE 32 HG23 ILE 32 -5.642 28.782 1.429 280 HD11 ILE 32 HD11 ILE 32 -5.880 25.031 -1.744 281 HD12 ILE 32 HD12 ILE 32 -5.479 26.527 -2.590 282 HD13 ILE 32 HD13 ILE 32 -7.014 25.726 -2.898 283 H THR 33 H THR 33 -3.777 29.799 -0.056 284 HA THR 33 HA THR 33 -1.788 30.117 -2.119 285 HB THR 33 HB THR 33 -0.977 29.917 0.792 286 HG1 THR 33 HG1 THR 33 -2.997 30.819 0.950 287 HG21 THR 33 HG21 THR 33 -0.140 32.290 0.116 288 HG22 THR 33 HG22 THR 33 -0.658 31.910 -1.523 289 HG23 THR 33 HG23 THR 33 0.622 30.969 -0.764 290 H LYS 34 H LYS 34 0.309 29.110 -2.108 291 HA LYS 34 HA LYS 34 0.245 26.338 -2.424 292 HB2 LYS 34 HB2 LYS 34 2.682 27.896 -1.444 293 HB3 LYS 34 HB3 LYS 34 2.680 26.459 -2.459 294 HG2 LYS 34 HG2 LYS 34 1.554 29.172 -3.237 295 HG3 LYS 34 HG3 LYS 34 3.064 28.484 -3.822 296 HD2 LYS 34 HD2 LYS 34 1.794 27.652 -5.522 297 HD3 LYS 34 HD3 LYS 34 1.285 26.448 -4.345 298 HE2 LYS 34 HE2 LYS 34 -0.660 27.551 -5.448 299 HE3 LYS 34 HE3 LYS 34 -0.647 27.841 -3.722 300 HZ1 LYS 34 HZ1 LYS 34 0.844 29.872 -4.801 301 HZ2 LYS 34 HZ2 LYS 34 -0.736 29.980 -4.188 302 HZ3 LYS 34 HZ3 LYS 34 -0.485 29.707 -5.845 303 H ASP 35 H ASP 35 0.975 28.217 0.450 304 HA ASP 35 HA ASP 35 1.772 25.956 2.041 305 HB2 ASP 35 HB2 ASP 35 2.283 28.336 2.665 306 HB3 ASP 35 HB3 ASP 35 0.562 28.641 2.894 307 H LYS 36 H LYS 36 -1.288 27.383 1.167 308 HA LYS 36 HA LYS 36 -2.701 25.804 3.197 309 HB2 LYS 36 HB2 LYS 36 -3.468 27.849 1.115 310 HB3 LYS 36 HB3 LYS 36 -4.713 26.830 1.831 311 HG2 LYS 36 HG2 LYS 36 -2.806 28.037 3.750 312 HG3 LYS 36 HG3 LYS 36 -3.866 29.178 2.930 313 HD2 LYS 36 HD2 LYS 36 -5.837 28.000 3.674 314 HD3 LYS 36 HD3 LYS 36 -4.874 26.655 4.277 315 HE2 LYS 36 HE2 LYS 36 -4.797 29.500 5.336 316 HE3 LYS 36 HE3 LYS 36 -5.563 28.132 6.132 317 HZ1 LYS 36 HZ1 LYS 36 -2.902 28.941 6.281 318 HZ2 LYS 36 HZ2 LYS 36 -2.928 27.433 5.501 319 HZ3 LYS 36 HZ3 LYS 36 -3.638 27.609 7.033 320 H ARG 37 H ARG 37 -1.816 25.680 -0.132 321 HA ARG 37 HA ARG 37 -3.762 23.654 -0.905 322 HB2 ARG 37 HB2 ARG 37 -1.138 24.664 -2.101 323 HB3 ARG 37 HB3 ARG 37 -2.083 23.392 -2.863 324 HG2 ARG 37 HG2 ARG 37 -4.037 24.943 -2.866 325 HG3 ARG 37 HG3 ARG 37 -2.993 26.218 -2.259 326 HD2 ARG 37 HD2 ARG 37 -3.222 26.304 -4.746 327 HD3 ARG 37 HD3 ARG 37 -1.566 25.984 -4.251 328 HE ARG 37 HE ARG 37 -3.317 23.705 -4.992 329 HH11 ARG 37 HH11 ARG 37 -1.353 25.951 -6.438 330 HH12 ARG 37 HH12 ARG 37 -0.206 24.831 -7.097 331 HH21 ARG 37 HH21 ARG 37 -1.543 22.112 -5.333 332 HH22 ARG 37 HH22 ARG 37 -0.317 22.602 -6.454 333 H ARG 38 H ARG 38 -0.589 23.805 0.409 334 HA ARG 38 HA ARG 38 -0.061 20.958 0.036 335 HB2 ARG 38 HB2 ARG 38 1.826 22.572 0.080 336 HB3 ARG 38 HB3 ARG 38 1.331 23.153 1.666 337 HG2 ARG 38 HG2 ARG 38 1.679 20.780 2.523 338 HG3 ARG 38 HG3 ARG 38 2.415 20.405 0.971 339 HD2 ARG 38 HD2 ARG 38 3.998 22.349 1.368 340 HD3 ARG 38 HD3 ARG 38 3.338 22.468 2.996 341 HE ARG 38 HE ARG 38 4.419 20.410 3.554 342 HH11 ARG 38 HH11 ARG 38 4.655 21.313 0.245 343 HH12 ARG 38 HH12 ARG 38 5.867 20.142 -0.141 344 HH21 ARG 38 HH21 ARG 38 5.962 18.861 3.120 345 HH22 ARG 38 HH22 ARG 38 6.626 18.717 1.527 346 H ARG 39 H ARG 39 -1.380 23.099 2.428 347 HA ARG 39 HA ARG 39 -1.134 21.372 4.688 348 HB2 ARG 39 HB2 ARG 39 -2.526 23.829 3.955 349 HB3 ARG 39 HB3 ARG 39 -3.607 22.792 4.863 350 HG2 ARG 39 HG2 ARG 39 -2.380 24.205 6.411 351 HG3 ARG 39 HG3 ARG 39 -1.825 22.551 6.595 352 HD2 ARG 39 HD2 ARG 39 -0.078 23.365 4.716 353 HD3 ARG 39 HD3 ARG 39 -0.392 24.914 5.496 354 HE ARG 39 HE ARG 39 1.369 23.119 6.586 355 HH11 ARG 39 HH11 ARG 39 -0.793 25.367 7.649 356 HH12 ARG 39 HH12 ARG 39 -0.974 24.750 9.258 357 HH21 ARG 39 HH21 ARG 39 0.767 21.794 8.540 358 HH22 ARG 39 HH22 ARG 39 -0.068 22.677 9.775 359 H ILE 40 H ILE 40 -3.621 21.878 2.258 360 HA ILE 40 HA ILE 40 -5.449 19.944 3.210 361 HB ILE 40 HB ILE 40 -4.738 20.740 0.362 362 HG12 ILE 40 HG12 ILE 40 -7.058 21.808 1.967 363 HG13 ILE 40 HG13 ILE 40 -5.465 22.525 2.142 364 HG21 ILE 40 HG21 ILE 40 -6.114 18.758 0.333 365 HG22 ILE 40 HG22 ILE 40 -7.210 20.102 0.035 366 HG23 ILE 40 HG23 ILE 40 -7.132 19.373 1.632 367 HD11 ILE 40 HD11 ILE 40 -6.226 23.827 0.386 368 HD12 ILE 40 HD12 ILE 40 -7.314 22.579 -0.196 369 HD13 ILE 40 HD13 ILE 40 -5.599 22.484 -0.559 370 H SER 41 H SER 41 -3.372 19.554 0.328 371 HA SER 41 HA SER 41 -3.497 16.796 0.120 372 HB2 SER 41 HB2 SER 41 -2.137 17.744 -1.565 373 HB3 SER 41 HB3 SER 41 -1.328 18.840 -0.431 374 HG SER 41 HG SER 41 -0.611 16.357 -1.183 375 H ALA 42 H ALA 42 -1.535 18.684 2.383 376 HA ALA 42 HA ALA 42 -0.064 16.416 3.419 377 HB1 ALA 42 HB1 ALA 42 -0.662 19.191 4.562 378 HB2 ALA 42 HB2 ALA 42 0.804 18.692 3.723 379 HB3 ALA 42 HB3 ALA 42 0.440 18.047 5.321 380 H THR 43 H THR 43 -3.190 17.787 4.082 381 HA THR 43 HA THR 43 -3.424 16.237 6.603 382 HB THR 43 HB THR 43 -5.914 17.293 6.310 383 HG1 THR 43 HG1 THR 43 -4.215 18.412 4.400 384 HG21 THR 43 HG21 THR 43 -3.368 18.917 6.849 385 HG22 THR 43 HG22 THR 43 -4.388 18.158 8.067 386 HG23 THR 43 HG23 THR 43 -4.986 19.540 7.154 387 H THR 44 H THR 44 -4.737 16.513 3.377 388 HA THR 44 HA THR 44 -6.475 14.220 3.638 389 HB THR 44 HB THR 44 -6.564 14.541 1.099 390 HG1 THR 44 HG1 THR 44 -4.995 15.609 0.244 391 HG21 THR 44 HG21 THR 44 -6.396 17.357 2.001 392 HG22 THR 44 HG22 THR 44 -7.423 16.370 3.029 393 HG23 THR 44 HG23 THR 44 -7.780 16.520 1.312 394 H ASN 45 H ASN 45 -3.190 14.813 3.156 395 HA ASN 45 HA ASN 45 -1.344 13.445 2.950 396 HB2 ASN 45 HB2 ASN 45 -2.862 12.038 4.543 397 HB3 ASN 45 HB3 ASN 45 -3.172 11.032 3.132 398 HD21 ASN 45 HD21 ASN 45 -0.692 12.057 5.425 399 HD22 ASN 45 HD22 ASN 45 0.481 10.926 4.947 400 H LEU 46 H LEU 46 -1.513 14.257 0.590 401 HA LEU 46 HA LEU 46 -1.190 11.806 -1.025 402 HB2 LEU 46 HB2 LEU 46 -2.732 12.903 -2.871 403 HB3 LEU 46 HB3 LEU 46 -3.461 11.991 -1.566 404 HG LEU 46 HG LEU 46 -3.662 14.215 -0.322 405 HD11 LEU 46 HD11 LEU 46 -2.977 15.152 -3.120 406 HD12 LEU 46 HD12 LEU 46 -2.155 15.571 -1.626 407 HD13 LEU 46 HD13 LEU 46 -3.775 16.177 -1.943 408 HD21 LEU 46 HD21 LEU 46 -5.257 12.954 -2.350 409 HD22 LEU 46 HD22 LEU 46 -5.424 14.693 -2.543 410 HD23 LEU 46 HD23 LEU 46 -5.810 13.937 -1.001 411 H SER 47 H SER 47 -1.750 14.092 -3.306 412 HA SER 47 HA SER 47 1.142 14.647 -3.496 413 HB2 SER 47 HB2 SER 47 0.074 13.692 -5.494 414 HB3 SER 47 HB3 SER 47 -1.148 14.978 -5.487 415 HG SER 47 HG SER 47 0.258 16.191 -6.448 416 H GLU 48 H GLU 48 -0.847 16.672 -5.243 417 HA GLU 48 HA GLU 48 -1.363 18.829 -3.528 418 HB2 GLU 48 HB2 GLU 48 1.442 18.613 -4.611 419 HB3 GLU 48 HB3 GLU 48 0.689 20.197 -4.722 420 HG2 GLU 48 HG2 GLU 48 0.123 19.246 -2.097 421 HG3 GLU 48 HG3 GLU 48 1.822 18.897 -2.392 422 H ARG 49 H ARG 49 0.246 18.393 -6.686 423 HA ARG 49 HA ARG 49 -1.235 20.268 -8.090 424 HB2 ARG 49 HB2 ARG 49 -0.071 17.555 -8.872 425 HB3 ARG 49 HB3 ARG 49 -0.955 18.519 -10.052 426 HG2 ARG 49 HG2 ARG 49 0.611 20.311 -9.918 427 HG3 ARG 49 HG3 ARG 49 1.326 19.679 -8.438 428 HD2 ARG 49 HD2 ARG 49 1.401 17.766 -10.675 429 HD3 ARG 49 HD3 ARG 49 2.316 19.240 -10.983 430 HE ARG 49 HE ARG 49 3.164 17.168 -9.242 431 HH11 ARG 49 HH11 ARG 49 4.890 19.396 -10.173 432 HH12 ARG 49 HH12 ARG 49 5.218 20.261 -8.708 433 HH21 ARG 49 HH21 ARG 49 2.580 18.734 -6.979 434 HH22 ARG 49 HH22 ARG 49 3.872 19.879 -6.854 435 H GLN 50 H GLN 50 -2.002 17.275 -6.662 436 HA GLN 50 HA GLN 50 -4.418 16.704 -8.113 437 HB2 GLN 50 HB2 GLN 50 -3.180 14.984 -6.778 438 HB3 GLN 50 HB3 GLN 50 -3.489 15.895 -5.305 439 HG2 GLN 50 HG2 GLN 50 -5.164 14.186 -5.374 440 HG3 GLN 50 HG3 GLN 50 -5.979 15.671 -5.855 441 HE21 GLN 50 HE21 GLN 50 -6.136 16.034 -8.295 442 HE22 GLN 50 HE22 GLN 50 -6.305 14.671 -9.293 443 H VAL 51 H VAL 51 -3.629 18.386 -5.059 444 HA VAL 51 HA VAL 51 -6.276 18.878 -4.237 445 HB VAL 51 HB VAL 51 -4.058 20.896 -3.993 446 HG11 VAL 51 HG11 VAL 51 -6.739 20.621 -2.950 447 HG12 VAL 51 HG12 VAL 51 -5.602 21.945 -2.701 448 HG13 VAL 51 HG13 VAL 51 -5.596 20.563 -1.618 449 HG21 VAL 51 HG21 VAL 51 -4.541 18.704 -1.971 450 HG22 VAL 51 HG22 VAL 51 -3.093 19.679 -2.207 451 HG23 VAL 51 HG23 VAL 51 -3.493 18.403 -3.351 452 H THR 52 H THR 52 -4.103 20.625 -6.204 453 HA THR 52 HA THR 52 -5.588 22.788 -6.959 454 HB THR 52 HB THR 52 -4.270 21.383 -9.201 455 HG1 THR 52 HG1 THR 52 -2.465 22.033 -7.285 456 HG21 THR 52 HG21 THR 52 -3.284 23.755 -7.554 457 HG22 THR 52 HG22 THR 52 -4.496 23.960 -8.811 458 HG23 THR 52 HG23 THR 52 -2.886 23.391 -9.230 459 H ILE 53 H ILE 53 -5.481 19.607 -8.399 460 HA ILE 53 HA ILE 53 -7.619 20.049 -10.258 461 HB ILE 53 HB ILE 53 -5.764 17.917 -9.367 462 HG12 ILE 53 HG12 ILE 53 -5.508 18.986 -11.504 463 HG13 ILE 53 HG13 ILE 53 -5.908 17.296 -11.775 464 HG21 ILE 53 HG21 ILE 53 -8.639 17.190 -10.102 465 HG22 ILE 53 HG22 ILE 53 -7.682 16.601 -8.755 466 HG23 ILE 53 HG23 ILE 53 -7.312 16.079 -10.393 467 HD11 ILE 53 HD11 ILE 53 -8.400 18.608 -11.664 468 HD12 ILE 53 HD12 ILE 53 -7.602 18.005 -13.105 469 HD13 ILE 53 HD13 ILE 53 -7.371 19.675 -12.602 470 H TRP 54 H TRP 54 -7.368 19.029 -6.976 471 HA TRP 54 HA TRP 54 -9.892 17.736 -6.710 472 HB2 TRP 54 HB2 TRP 54 -7.781 18.016 -5.116 473 HB3 TRP 54 HB3 TRP 54 -8.669 19.389 -4.491 474 HD1 TRP 54 HD1 TRP 54 -11.532 17.720 -5.016 475 HE1 TRP 54 HE1 TRP 54 -11.950 15.718 -3.489 476 HE3 TRP 54 HE3 TRP 54 -7.107 17.539 -2.957 477 HZ2 TRP 54 HZ2 TRP 54 -10.377 14.247 -1.370 478 HZ3 TRP 54 HZ3 TRP 54 -6.498 15.987 -1.196 479 HH2 TRP 54 HH2 TRP 54 -8.085 14.297 -0.453 480 H PHE 55 H PHE 55 -8.712 21.026 -6.351 481 HA PHE 55 HA PHE 55 -11.232 22.085 -5.466 482 HB2 PHE 55 HB2 PHE 55 -8.726 23.156 -6.709 483 HB3 PHE 55 HB3 PHE 55 -10.120 24.225 -6.608 484 HD1 PHE 55 HD1 PHE 55 -8.728 21.581 -4.388 485 HD2 PHE 55 HD2 PHE 55 -9.965 25.624 -4.732 486 HE1 PHE 55 HE1 PHE 55 -8.269 21.902 -2.024 487 HE2 PHE 55 HE2 PHE 55 -9.529 25.940 -2.349 488 HZ PHE 55 HZ PHE 55 -8.663 24.098 -0.990 489 H GLN 56 H GLN 56 -9.769 21.948 -8.696 490 HA GLN 56 HA GLN 56 -11.950 23.212 -10.036 491 HB2 GLN 56 HB2 GLN 56 -10.014 21.105 -11.062 492 HB3 GLN 56 HB3 GLN 56 -10.957 22.189 -12.063 493 HG2 GLN 56 HG2 GLN 56 -9.828 24.126 -10.881 494 HG3 GLN 56 HG3 GLN 56 -8.758 22.951 -10.124 495 HE21 GLN 56 HE21 GLN 56 -9.733 24.298 -13.271 496 HE22 GLN 56 HE22 GLN 56 -8.337 23.806 -14.102 497 H ASN 57 H ASN 57 -11.516 20.008 -8.810 498 HA ASN 57 HA ASN 57 -13.636 18.881 -10.491 499 HB2 ASN 57 HB2 ASN 57 -11.541 17.655 -9.339 500 HB3 ASN 57 HB3 ASN 57 -12.627 17.563 -7.956 501 HD21 ASN 57 HD21 ASN 57 -11.799 15.206 -9.335 502 HD22 ASN 57 HD22 ASN 57 -13.144 14.539 -10.129 503 H ARG 58 H ARG 58 -13.078 20.037 -7.273 504 HA ARG 58 HA ARG 58 -15.612 19.309 -6.206 505 HB2 ARG 58 HB2 ARG 58 -13.273 20.886 -5.459 506 HB3 ARG 58 HB3 ARG 58 -14.725 21.756 -5.035 507 HG2 ARG 58 HG2 ARG 58 -14.325 18.839 -4.340 508 HG3 ARG 58 HG3 ARG 58 -13.830 20.137 -3.261 509 HD2 ARG 58 HD2 ARG 58 -16.130 20.977 -3.158 510 HD3 ARG 58 HD3 ARG 58 -16.651 19.767 -4.327 511 HE ARG 58 HE ARG 58 -15.404 18.435 -2.129 512 HH11 ARG 58 HH11 ARG 58 -18.307 19.386 -3.532 513 HH12 ARG 58 HH12 ARG 58 -19.296 19.045 -2.150 514 HH21 ARG 58 HH21 ARG 58 -16.540 18.356 -0.096 515 HH22 ARG 58 HH22 ARG 58 -18.269 18.450 -0.154 516 H ARG 59 H ARG 59 -14.544 21.665 -8.465 517 HA ARG 59 HA ARG 59 -16.954 23.365 -8.031 518 HB2 ARG 59 HB2 ARG 59 -14.832 24.521 -8.569 519 HB3 ARG 59 HB3 ARG 59 -14.607 23.519 -9.997 520 HG2 ARG 59 HG2 ARG 59 -15.522 25.747 -10.592 521 HG3 ARG 59 HG3 ARG 59 -16.653 24.462 -10.999 522 HD2 ARG 59 HD2 ARG 59 -17.616 26.521 -9.763 523 HD3 ARG 59 HD3 ARG 59 -18.038 24.938 -9.115 524 HE ARG 59 HE ARG 59 -15.664 25.791 -7.810 525 HH11 ARG 59 HH11 ARG 59 -18.599 27.352 -8.426 526 HH12 ARG 59 HH12 ARG 59 -18.930 27.760 -6.776 527 HH21 ARG 59 HH21 ARG 59 -16.169 25.970 -5.570 528 HH22 ARG 59 HH22 ARG 59 -17.516 26.959 -5.116 529 H VAL 60 H VAL 60 -15.604 20.976 -10.091 530 HA VAL 60 HA VAL 60 -17.539 21.244 -12.210 531 HB VAL 60 HB VAL 60 -15.103 19.896 -11.740 532 HG11 VAL 60 HG11 VAL 60 -17.225 17.807 -12.318 533 HG12 VAL 60 HG12 VAL 60 -16.513 18.037 -10.728 534 HG13 VAL 60 HG13 VAL 60 -15.502 17.540 -12.079 535 HG21 VAL 60 HG21 VAL 60 -15.573 20.710 -13.906 536 HG22 VAL 60 HG22 VAL 60 -17.113 19.861 -13.990 537 HG23 VAL 60 HG23 VAL 60 -15.604 18.962 -14.117 538 H LYS 61 H LYS 61 -17.449 19.839 -9.104 539 HA LYS 61 HA LYS 61 -19.670 17.985 -9.657 540 HB2 LYS 61 HB2 LYS 61 -17.643 18.384 -7.543 541 HB3 LYS 61 HB3 LYS 61 -19.242 18.058 -6.885 542 HG2 LYS 61 HG2 LYS 61 -19.366 16.106 -8.545 543 HG3 LYS 61 HG3 LYS 61 -17.643 16.353 -8.810 544 HD2 LYS 61 HD2 LYS 61 -19.047 15.578 -6.243 545 HD3 LYS 61 HD3 LYS 61 -17.766 14.712 -7.084 546 HE2 LYS 61 HE2 LYS 61 -17.541 17.336 -5.585 547 HE3 LYS 61 HE3 LYS 61 -16.733 15.819 -5.212 548 HZ1 LYS 61 HZ1 LYS 61 -15.338 17.510 -6.358 549 HZ2 LYS 61 HZ2 LYS 61 -16.309 17.306 -7.737 550 HZ3 LYS 61 HZ3 LYS 61 -15.402 16.002 -7.136 551 H GLU 62 H GLU 62 -19.068 21.095 -8.135 552 HA GLU 62 HA GLU 62 -21.641 21.214 -6.800 553 HB2 GLU 62 HB2 GLU 62 -19.394 23.125 -7.440 554 HB3 GLU 62 HB3 GLU 62 -20.949 23.807 -6.980 555 HG2 GLU 62 HG2 GLU 62 -20.008 21.559 -5.289 556 HG3 GLU 62 HG3 GLU 62 -19.052 23.033 -5.178 557 H LYS 63 H LYS 63 -20.456 21.959 -9.970 558 HA LYS 63 HA LYS 63 -22.863 23.482 -10.644 559 HB2 LYS 63 HB2 LYS 63 -20.475 22.544 -12.292 560 HB3 LYS 63 HB3 LYS 63 -21.774 23.545 -12.936 561 HG2 LYS 63 HG2 LYS 63 -21.149 24.903 -10.651 562 HG3 LYS 63 HG3 LYS 63 -19.575 24.268 -11.100 563 HD2 LYS 63 HD2 LYS 63 -19.845 26.422 -12.191 564 HD3 LYS 63 HD3 LYS 63 -19.927 25.167 -13.422 565 HE2 LYS 63 HE2 LYS 63 -22.567 25.579 -12.361 566 HE3 LYS 63 HE3 LYS 63 -21.891 27.140 -12.808 567 HZ1 LYS 63 HZ1 LYS 63 -22.904 26.323 -14.727 568 HZ2 LYS 63 HZ2 LYS 63 -22.271 24.760 -14.517 569 HZ3 LYS 63 HZ3 LYS 63 -21.247 26.039 -14.967 570 H LYS 64 H LYS 64 -21.678 20.252 -10.896 571 HA LYS 64 HA LYS 64 -23.324 19.353 -13.046 572 HB2 LYS 64 HB2 LYS 64 -21.381 18.158 -11.659 573 HB3 LYS 64 HB3 LYS 64 -22.709 17.605 -10.644 574 HG2 LYS 64 HG2 LYS 64 -23.740 16.437 -12.435 575 HG3 LYS 64 HG3 LYS 64 -22.807 17.303 -13.650 576 HD2 LYS 64 HD2 LYS 64 -21.823 15.112 -13.458 577 HD3 LYS 64 HD3 LYS 64 -20.723 16.230 -12.659 578 HE2 LYS 64 HE2 LYS 64 -22.872 15.030 -10.976 579 HE3 LYS 64 HE3 LYS 64 -21.573 13.957 -11.482 580 HZ1 LYS 64 HZ1 LYS 64 -20.174 14.910 -10.076 581 HZ2 LYS 64 HZ2 LYS 64 -21.512 15.695 -9.384 582 HZ3 LYS 64 HZ3 LYS 64 -20.592 16.477 -10.578 583 H VAL 65 H VAL 65 -24.345 20.881 -10.424 584 HA VAL 65 HA VAL 65 -26.683 19.098 -9.907 585 HB VAL 65 HB VAL 65 -25.853 21.708 -8.543 586 HG11 VAL 65 HG11 VAL 65 -27.515 21.225 -6.932 587 HG12 VAL 65 HG12 VAL 65 -27.629 19.538 -7.423 588 HG13 VAL 65 HG13 VAL 65 -28.300 20.802 -8.449 589 HG21 VAL 65 HG21 VAL 65 -24.136 19.982 -8.227 590 HG22 VAL 65 HG22 VAL 65 -25.368 18.811 -7.767 591 HG23 VAL 65 HG23 VAL 65 -25.038 20.194 -6.729 592 H ILE 66 H ILE 66 -26.391 22.641 -10.020 593 HA ILE 66 HA ILE 66 -29.049 23.022 -10.948 594 HB ILE 66 HB ILE 66 -26.665 24.637 -10.402 595 HG12 ILE 66 HG12 ILE 66 -28.966 24.669 -9.314 596 HG13 ILE 66 HG13 ILE 66 -28.284 26.245 -9.696 597 HG21 ILE 66 HG21 ILE 66 -27.257 26.508 -12.040 598 HG22 ILE 66 HG22 ILE 66 -28.339 25.390 -12.867 599 HG23 ILE 66 HG23 ILE 66 -26.608 25.080 -12.843 600 HD11 ILE 66 HD11 ILE 66 -29.700 26.532 -11.578 601 HD12 ILE 66 HD12 ILE 66 -30.756 25.815 -10.366 602 HD13 ILE 66 HD13 ILE 66 -30.090 24.817 -11.656 603 H ASN 67 H ASN 67 -25.988 22.836 -12.743 604 HA ASN 67 HA ASN 67 -26.896 23.487 -15.306 605 HB2 ASN 67 HB2 ASN 67 -24.521 22.922 -14.778 606 HB3 ASN 67 HB3 ASN 67 -24.970 21.236 -14.524 607 HD21 ASN 67 HD21 ASN 67 -23.349 20.878 -16.360 608 HD22 ASN 67 HD22 ASN 67 -23.912 21.024 -17.956 609 H LYS 68 H LYS 68 -27.376 20.522 -13.497 610 HA LYS 68 HA LYS 68 -28.458 19.043 -15.745 611 HB2 LYS 68 HB2 LYS 68 -27.527 18.278 -13.329 612 HB3 LYS 68 HB3 LYS 68 -29.228 18.406 -12.896 613 HG2 LYS 68 HG2 LYS 68 -28.845 16.139 -13.646 614 HG3 LYS 68 HG3 LYS 68 -29.760 16.962 -14.904 615 HD2 LYS 68 HD2 LYS 68 -27.986 16.986 -16.372 616 HD3 LYS 68 HD3 LYS 68 -26.792 17.136 -15.087 617 HE2 LYS 68 HE2 LYS 68 -28.377 14.613 -15.670 618 HE3 LYS 68 HE3 LYS 68 -26.731 14.900 -16.219 619 HZ1 LYS 68 HZ1 LYS 68 -27.597 13.945 -13.736 620 HZ2 LYS 68 HZ2 LYS 68 -26.822 15.436 -13.487 621 HZ3 LYS 68 HZ3 LYS 68 -26.007 14.177 -14.284 622 H LEU 69 H LEU 69 -30.193 19.929 -16.721 623 HA LEU 69 HA LEU 69 -32.661 20.150 -15.096 624 HB2 LEU 69 HB2 LEU 69 -31.361 22.441 -15.407 625 HB3 LEU 69 HB3 LEU 69 -31.986 22.372 -17.052 626 HG LEU 69 HG LEU 69 -34.280 21.871 -15.850 627 HD11 LEU 69 HD11 LEU 69 -33.512 21.647 -13.587 628 HD12 LEU 69 HD12 LEU 69 -34.334 23.202 -13.666 629 HD13 LEU 69 HD13 LEU 69 -32.575 23.136 -13.689 630 HD21 LEU 69 HD21 LEU 69 -34.629 24.376 -15.642 631 HD22 LEU 69 HD22 LEU 69 -33.952 23.860 -17.182 632 HD23 LEU 69 HD23 LEU 69 -32.908 24.573 -15.956 633 H LYS 70 H LYS 70 -31.587 18.401 -17.262 634 HA LYS 70 HA LYS 70 -33.144 19.059 -19.637 635 HB2 LYS 70 HB2 LYS 70 -31.095 17.705 -19.843 636 HB3 LYS 70 HB3 LYS 70 -31.737 16.498 -18.734 637 HG2 LYS 70 HG2 LYS 70 -33.577 16.020 -20.322 638 HG3 LYS 70 HG3 LYS 70 -32.934 17.224 -21.432 639 HD2 LYS 70 HD2 LYS 70 -30.929 15.957 -21.791 640 HD3 LYS 70 HD3 LYS 70 -31.286 14.884 -20.443 641 HE2 LYS 70 HE2 LYS 70 -32.266 13.506 -21.949 642 HE3 LYS 70 HE3 LYS 70 -33.553 14.698 -22.071 643 HZ1 LYS 70 HZ1 LYS 70 -31.663 13.952 -24.006 644 HZ2 LYS 70 HZ2 LYS 70 -31.446 15.597 -23.641 645 HZ3 LYS 70 HZ3 LYS 70 -32.965 15.033 -24.153 646 H THR 71 H THR 71 -33.317 15.929 -18.031 647 HA THR 71 HA THR 71 -36.123 15.678 -18.620 648 HB THR 71 HB THR 71 -35.941 13.579 -17.227 649 HG1 THR 71 HG1 THR 71 -33.976 13.351 -16.085 650 HG21 THR 71 HG21 THR 71 -33.249 14.068 -18.620 651 HG22 THR 71 HG22 THR 71 -34.709 13.687 -19.530 652 HG23 THR 71 HG23 THR 71 -34.050 12.516 -18.390 653 H THR 72 H THR 72 -37.728 16.660 -17.605 654 HA THR 72 HA THR 72 -37.285 17.867 -14.963 655 HB THR 72 HB THR 72 -38.625 19.055 -16.772 656 HG1 THR 72 HG1 THR 72 -40.321 19.508 -15.295 657 HG21 THR 72 HG21 THR 72 -41.063 17.490 -16.167 658 HG22 THR 72 HG22 THR 72 -39.878 16.508 -17.023 659 HG23 THR 72 HG23 THR 72 -40.466 18.003 -17.742 660 H SER 73 H SER 73 -37.758 14.826 -15.718 661 HA SER 73 HA SER 73 -39.317 14.326 -13.245 662 HB2 SER 73 HB2 SER 73 -40.888 14.278 -15.298 663 HB3 SER 73 HB3 SER 73 -39.971 12.867 -15.859 664 HG SER 73 HG SER 73 -40.496 11.789 -14.010 Start of MODEL 7 1 HA MET 1 HA MET 1 6.227 2.464 24.239 2 H SER 2 H SER 2 8.230 2.855 23.142 3 HA SER 2 HA SER 2 10.702 3.360 24.485 4 HB2 SER 2 HB2 SER 2 9.544 4.245 21.795 5 HB3 SER 2 HB3 SER 2 11.182 4.706 22.300 6 HG SER 2 HG SER 2 10.435 2.410 21.287 7 H HIS 3 H HIS 3 8.980 5.891 22.729 8 HA HIS 3 HA HIS 3 9.400 7.700 25.084 9 HB2 HIS 3 HB2 HIS 3 9.609 9.536 23.356 10 HB3 HIS 3 HB3 HIS 3 10.857 8.308 23.157 11 HD1 HIS 3 HD1 HIS 3 9.922 6.391 21.400 12 HD2 HIS 3 HD2 HIS 3 8.350 10.109 21.013 13 HE1 HIS 3 HE1 HIS 3 8.993 6.435 19.164 14 H MET 4 H MET 4 7.870 9.608 25.023 15 HA MET 4 HA MET 4 5.215 8.761 25.240 16 HB2 MET 4 HB2 MET 4 4.715 11.299 24.737 17 HB3 MET 4 HB3 MET 4 5.717 10.921 26.132 18 HG2 MET 4 HG2 MET 4 7.569 11.824 25.209 19 HG3 MET 4 HG3 MET 4 7.238 11.135 23.642 20 HE1 MET 4 HE1 MET 4 8.170 14.519 24.937 21 HE2 MET 4 HE2 MET 4 8.198 14.814 23.198 22 HE3 MET 4 HE3 MET 4 8.800 13.287 23.843 23 H LEU 5 H LEU 5 4.217 7.669 23.661 24 HA LEU 5 HA LEU 5 4.554 8.382 20.844 25 HB2 LEU 5 HB2 LEU 5 3.256 6.414 20.410 26 HB3 LEU 5 HB3 LEU 5 4.123 6.013 21.889 27 HG LEU 5 HG LEU 5 1.260 7.018 21.688 28 HD11 LEU 5 HD11 LEU 5 1.576 4.628 21.152 29 HD12 LEU 5 HD12 LEU 5 0.743 4.817 22.691 30 HD13 LEU 5 HD13 LEU 5 2.454 4.402 22.662 31 HD21 LEU 5 HD21 LEU 5 1.331 6.584 24.210 32 HD22 LEU 5 HD22 LEU 5 2.214 8.006 23.661 33 HD23 LEU 5 HD23 LEU 5 3.083 6.526 24.060 34 H GLU 6 H GLU 6 2.938 9.925 23.150 35 HA GLU 6 HA GLU 6 0.274 10.213 22.489 36 HB2 GLU 6 HB2 GLU 6 2.219 11.753 23.870 37 HB3 GLU 6 HB3 GLU 6 1.512 12.862 22.701 38 HG2 GLU 6 HG2 GLU 6 -0.747 12.287 23.494 39 HG3 GLU 6 HG3 GLU 6 -0.067 11.126 24.631 40 H GLY 7 H GLY 7 -0.926 11.416 21.014 41 HA2 GLY 7 HA2 GLY 7 -0.382 13.225 19.114 42 HA3 GLY 7 HA3 GLY 7 0.445 11.832 18.423 43 H ARG 8 H ARG 8 -2.070 10.618 20.139 44 HA ARG 8 HA ARG 8 -4.022 9.529 19.405 45 HB2 ARG 8 HB2 ARG 8 -4.254 12.370 18.317 46 HB3 ARG 8 HB3 ARG 8 -5.570 11.211 18.156 47 HG2 ARG 8 HG2 ARG 8 -6.047 11.234 20.407 48 HG3 ARG 8 HG3 ARG 8 -4.366 11.483 20.867 49 HD2 ARG 8 HD2 ARG 8 -6.174 13.592 19.631 50 HD3 ARG 8 HD3 ARG 8 -5.725 13.506 21.334 51 HE ARG 8 HE ARG 8 -3.410 13.580 19.563 52 HH11 ARG 8 HH11 ARG 8 -5.957 15.678 20.027 53 HH12 ARG 8 HH12 ARG 8 -5.016 17.002 20.627 54 HH21 ARG 8 HH21 ARG 8 -2.095 15.080 20.864 55 HH22 ARG 8 HH22 ARG 8 -2.772 16.653 21.114 56 H LYS 9 H LYS 9 -1.767 9.031 17.759 57 HA LYS 9 HA LYS 9 -2.400 9.394 14.972 58 HB2 LYS 9 HB2 LYS 9 -0.641 7.617 14.640 59 HB3 LYS 9 HB3 LYS 9 -0.100 8.874 15.747 60 HG2 LYS 9 HG2 LYS 9 -1.271 7.182 17.514 61 HG3 LYS 9 HG3 LYS 9 -0.755 6.025 16.292 62 HD2 LYS 9 HD2 LYS 9 1.079 8.135 17.470 63 HD3 LYS 9 HD3 LYS 9 0.974 6.491 18.088 64 HE2 LYS 9 HE2 LYS 9 1.331 6.718 15.153 65 HE3 LYS 9 HE3 LYS 9 2.700 7.253 16.120 66 HZ1 LYS 9 HZ1 LYS 9 3.233 5.117 16.222 67 HZ2 LYS 9 HZ2 LYS 9 1.712 4.607 15.661 68 HZ3 LYS 9 HZ3 LYS 9 1.944 4.937 17.312 69 H LYS 10 H LYS 10 -1.945 6.674 14.100 70 HA LYS 10 HA LYS 10 -3.210 4.818 13.455 71 HB2 LYS 10 HB2 LYS 10 -3.413 5.057 16.301 72 HB3 LYS 10 HB3 LYS 10 -5.037 4.697 15.726 73 HG2 LYS 10 HG2 LYS 10 -4.326 2.690 14.651 74 HG3 LYS 10 HG3 LYS 10 -2.628 3.143 14.755 75 HD2 LYS 10 HD2 LYS 10 -2.454 2.161 16.782 76 HD3 LYS 10 HD3 LYS 10 -3.772 3.147 17.405 77 HE2 LYS 10 HE2 LYS 10 -4.202 0.652 15.734 78 HE3 LYS 10 HE3 LYS 10 -4.193 0.646 17.493 79 HZ1 LYS 10 HZ1 LYS 10 -6.167 1.688 17.606 80 HZ2 LYS 10 HZ2 LYS 10 -6.384 0.982 16.077 81 HZ3 LYS 10 HZ3 LYS 10 -5.908 2.607 16.203 82 H ARG 11 H ARG 11 -4.204 7.702 13.208 83 HA ARG 11 HA ARG 11 -7.127 7.215 12.993 84 HB2 ARG 11 HB2 ARG 11 -6.741 9.356 13.937 85 HB3 ARG 11 HB3 ARG 11 -5.304 9.638 12.959 86 HG2 ARG 11 HG2 ARG 11 -6.645 10.009 10.977 87 HG3 ARG 11 HG3 ARG 11 -8.109 9.500 11.812 88 HD2 ARG 11 HD2 ARG 11 -8.236 11.854 11.939 89 HD3 ARG 11 HD3 ARG 11 -7.520 11.428 13.491 90 HE ARG 11 HE ARG 11 -6.166 12.823 11.303 91 HH11 ARG 11 HH11 ARG 11 -6.062 12.958 14.431 92 HH12 ARG 11 HH12 ARG 11 -4.401 12.546 14.690 93 HH21 ARG 11 HH21 ARG 11 -3.978 11.358 11.421 94 HH22 ARG 11 HH22 ARG 11 -3.191 11.615 12.940 95 H VAL 12 H VAL 12 -4.299 7.909 11.058 96 HA VAL 12 HA VAL 12 -3.876 7.829 8.805 97 HB VAL 12 HB VAL 12 -4.710 5.912 7.666 98 HG11 VAL 12 HG11 VAL 12 -4.775 4.174 9.326 99 HG12 VAL 12 HG12 VAL 12 -5.397 5.281 10.546 100 HG13 VAL 12 HG13 VAL 12 -3.745 5.450 9.965 101 HG21 VAL 12 HG21 VAL 12 -7.172 5.409 9.231 102 HG22 VAL 12 HG22 VAL 12 -6.895 5.260 7.505 103 HG23 VAL 12 HG23 VAL 12 -7.268 6.816 8.197 104 HA PRO 13 HA PRO 13 -6.229 10.902 6.762 105 HB2 PRO 13 HB2 PRO 13 -5.576 10.040 4.082 106 HB3 PRO 13 HB3 PRO 13 -4.780 11.301 5.014 107 HG2 PRO 13 HG2 PRO 13 -3.802 8.621 4.376 108 HG3 PRO 13 HG3 PRO 13 -2.937 9.929 5.182 109 HD2 PRO 13 HD2 PRO 13 -3.972 7.541 6.386 110 HD3 PRO 13 HD3 PRO 13 -3.202 8.920 7.193 111 H TYR 14 H TYR 14 -7.187 10.464 4.005 112 HA TYR 14 HA TYR 14 -9.206 9.863 3.000 113 HB2 TYR 14 HB2 TYR 14 -8.293 7.312 4.398 114 HB3 TYR 14 HB3 TYR 14 -9.755 7.340 3.418 115 HD1 TYR 14 HD1 TYR 14 -9.610 7.814 0.984 116 HD2 TYR 14 HD2 TYR 14 -6.102 7.502 3.368 117 HE1 TYR 14 HE1 TYR 14 -8.247 7.632 -1.046 118 HE2 TYR 14 HE2 TYR 14 -4.739 7.321 1.339 119 HH TYR 14 HH TYR 14 -5.405 8.242 -1.419 120 H THR 15 H THR 15 -9.918 11.436 4.846 121 HA THR 15 HA THR 15 -12.241 10.083 6.135 122 HB THR 15 HB THR 15 -11.424 11.947 8.084 123 HG1 THR 15 HG1 THR 15 -9.232 11.729 8.155 124 HG21 THR 15 HG21 THR 15 -10.660 8.994 7.739 125 HG22 THR 15 HG22 THR 15 -12.056 9.598 8.625 126 HG23 THR 15 HG23 THR 15 -10.432 9.887 9.239 127 H LYS 16 H LYS 16 -13.090 12.302 7.607 128 HA LYS 16 HA LYS 16 -14.362 13.824 5.512 129 HB2 LYS 16 HB2 LYS 16 -14.309 14.090 8.557 130 HB3 LYS 16 HB3 LYS 16 -15.278 15.134 7.527 131 HG2 LYS 16 HG2 LYS 16 -16.876 13.545 7.353 132 HG3 LYS 16 HG3 LYS 16 -15.698 12.389 6.742 133 HD2 LYS 16 HD2 LYS 16 -16.490 11.380 8.731 134 HD3 LYS 16 HD3 LYS 16 -14.974 12.126 9.226 135 HE2 LYS 16 HE2 LYS 16 -16.928 14.147 9.492 136 HE3 LYS 16 HE3 LYS 16 -17.670 12.689 10.142 137 HZ1 LYS 16 HZ1 LYS 16 -15.212 14.054 11.013 138 HZ2 LYS 16 HZ2 LYS 16 -15.455 12.411 11.361 139 HZ3 LYS 16 HZ3 LYS 16 -16.553 13.571 11.935 140 H VAL 17 H VAL 17 -11.719 14.395 7.774 141 HA VAL 17 HA VAL 17 -11.429 17.166 7.526 142 HB VAL 17 HB VAL 17 -9.380 14.902 7.689 143 HG11 VAL 17 HG11 VAL 17 -8.930 17.899 7.619 144 HG12 VAL 17 HG12 VAL 17 -8.193 16.678 6.586 145 HG13 VAL 17 HG13 VAL 17 -7.749 16.776 8.287 146 HG21 VAL 17 HG21 VAL 17 -9.206 15.525 9.992 147 HG22 VAL 17 HG22 VAL 17 -10.931 15.525 9.641 148 HG23 VAL 17 HG23 VAL 17 -10.049 17.047 9.720 149 H GLN 18 H GLN 18 -11.220 14.676 5.310 150 HA GLN 18 HA GLN 18 -9.537 16.005 3.345 151 HB2 GLN 18 HB2 GLN 18 -10.131 13.450 3.702 152 HB3 GLN 18 HB3 GLN 18 -11.584 13.830 2.789 153 HG2 GLN 18 HG2 GLN 18 -10.261 14.659 0.939 154 HG3 GLN 18 HG3 GLN 18 -8.790 14.401 1.855 155 HE21 GLN 18 HE21 GLN 18 -8.326 12.075 2.504 156 HE22 GLN 18 HE22 GLN 18 -8.857 10.837 1.472 157 H LEU 19 H LEU 19 -12.952 14.989 3.196 158 HA LEU 19 HA LEU 19 -13.498 16.894 1.074 159 HB2 LEU 19 HB2 LEU 19 -15.050 14.917 2.720 160 HB3 LEU 19 HB3 LEU 19 -15.977 16.225 1.995 161 HG LEU 19 HG LEU 19 -15.818 14.216 0.506 162 HD11 LEU 19 HD11 LEU 19 -15.716 15.540 -1.368 163 HD12 LEU 19 HD12 LEU 19 -14.176 16.254 -0.905 164 HD13 LEU 19 HD13 LEU 19 -15.669 16.839 -0.178 165 HD21 LEU 19 HD21 LEU 19 -12.880 14.944 0.308 166 HD22 LEU 19 HD22 LEU 19 -13.692 13.569 -0.432 167 HD23 LEU 19 HD23 LEU 19 -13.477 13.628 1.314 168 H LYS 20 H LYS 20 -13.180 17.164 4.404 169 HA LYS 20 HA LYS 20 -15.145 19.306 4.727 170 HB2 LYS 20 HB2 LYS 20 -14.404 17.738 6.606 171 HB3 LYS 20 HB3 LYS 20 -12.827 18.513 6.554 172 HG2 LYS 20 HG2 LYS 20 -13.717 20.618 7.232 173 HG3 LYS 20 HG3 LYS 20 -15.369 20.108 6.910 174 HD2 LYS 20 HD2 LYS 20 -15.571 19.248 8.990 175 HD3 LYS 20 HD3 LYS 20 -14.115 18.283 8.780 176 HE2 LYS 20 HE2 LYS 20 -13.653 19.757 10.610 177 HE3 LYS 20 HE3 LYS 20 -12.792 20.428 9.231 178 HZ1 LYS 20 HZ1 LYS 20 -15.072 21.692 8.950 179 HZ2 LYS 20 HZ2 LYS 20 -13.833 22.281 9.951 180 HZ3 LYS 20 HZ3 LYS 20 -15.143 21.438 10.628 181 H GLU 21 H GLU 21 -11.637 18.969 4.321 182 HA GLU 21 HA GLU 21 -11.283 21.867 4.577 183 HB2 GLU 21 HB2 GLU 21 -9.449 19.617 3.610 184 HB3 GLU 21 HB3 GLU 21 -8.925 21.289 3.780 185 HG2 GLU 21 HG2 GLU 21 -10.213 19.804 6.079 186 HG3 GLU 21 HG3 GLU 21 -8.478 19.713 5.784 187 H LEU 22 H LEU 22 -12.057 19.657 2.086 188 HA LEU 22 HA LEU 22 -11.124 21.307 -0.108 189 HB2 LEU 22 HB2 LEU 22 -12.288 18.707 0.273 190 HB3 LEU 22 HB3 LEU 22 -13.355 19.571 -0.823 191 HG LEU 22 HG LEU 22 -11.705 18.475 -2.188 192 HD11 LEU 22 HD11 LEU 22 -10.276 20.998 -2.312 193 HD12 LEU 22 HD12 LEU 22 -12.003 21.278 -2.114 194 HD13 LEU 22 HD13 LEU 22 -11.415 20.316 -3.467 195 HD21 LEU 22 HD21 LEU 22 -9.228 19.068 -1.755 196 HD22 LEU 22 HD22 LEU 22 -9.980 17.931 -0.642 197 HD23 LEU 22 HD23 LEU 22 -9.760 19.611 -0.168 198 H GLU 23 H GLU 23 -14.395 20.515 1.034 199 HA GLU 23 HA GLU 23 -15.660 22.536 -0.585 200 HB2 GLU 23 HB2 GLU 23 -16.577 20.367 0.712 201 HB3 GLU 23 HB3 GLU 23 -16.945 21.560 1.952 202 HG2 GLU 23 HG2 GLU 23 -18.348 22.810 0.473 203 HG3 GLU 23 HG3 GLU 23 -17.741 21.961 -0.944 204 H ARG 24 H ARG 24 -14.193 22.706 2.586 205 HA ARG 24 HA ARG 24 -15.634 25.229 3.177 206 HB2 ARG 24 HB2 ARG 24 -13.493 23.626 4.629 207 HB3 ARG 24 HB3 ARG 24 -14.031 25.193 5.206 208 HG2 ARG 24 HG2 ARG 24 -15.218 23.014 6.109 209 HG3 ARG 24 HG3 ARG 24 -16.187 24.425 5.715 210 HD2 ARG 24 HD2 ARG 24 -16.749 23.467 3.516 211 HD3 ARG 24 HD3 ARG 24 -15.698 22.099 3.815 212 HE ARG 24 HE ARG 24 -17.355 21.876 5.920 213 HH11 ARG 24 HH11 ARG 24 -17.725 20.278 3.400 214 HH12 ARG 24 HH12 ARG 24 -19.381 20.605 3.007 215 HH21 ARG 24 HH21 ARG 24 -19.547 23.380 5.138 216 HH22 ARG 24 HH22 ARG 24 -20.440 22.406 4.019 217 H GLU 25 H GLU 25 -12.244 24.255 2.654 218 HA GLU 25 HA GLU 25 -11.223 26.902 2.696 219 HB2 GLU 25 HB2 GLU 25 -10.267 24.548 0.991 220 HB3 GLU 25 HB3 GLU 25 -9.305 25.954 1.434 221 HG2 GLU 25 HG2 GLU 25 -10.594 24.294 3.596 222 HG3 GLU 25 HG3 GLU 25 -9.087 23.747 2.859 223 H TYR 26 H TYR 26 -13.164 25.251 0.390 224 HA TYR 26 HA TYR 26 -12.435 27.125 -1.775 225 HB2 TYR 26 HB2 TYR 26 -13.122 24.590 -2.026 226 HB3 TYR 26 HB3 TYR 26 -14.768 25.170 -1.818 227 HD1 TYR 26 HD1 TYR 26 -11.731 26.362 -3.679 228 HD2 TYR 26 HD2 TYR 26 -15.880 25.434 -3.844 229 HE1 TYR 26 HE1 TYR 26 -11.797 27.072 -6.025 230 HE2 TYR 26 HE2 TYR 26 -15.941 26.136 -6.197 231 HH TYR 26 HH TYR 26 -14.743 26.756 -7.965 232 H ALA 27 H ALA 27 -15.169 26.409 0.344 233 HA ALA 27 HA ALA 27 -16.731 28.609 -0.786 234 HB1 ALA 27 HB1 ALA 27 -18.085 26.819 0.031 235 HB2 ALA 27 HB2 ALA 27 -18.185 27.997 1.336 236 HB3 ALA 27 HB3 ALA 27 -17.102 26.616 1.478 237 H THR 28 H THR 28 -14.235 28.320 1.419 238 HA THR 28 HA THR 28 -15.054 30.328 3.327 239 HB THR 28 HB THR 28 -12.348 29.103 2.545 240 HG1 THR 28 HG1 THR 28 -14.448 28.530 4.100 241 HG21 THR 28 HG21 THR 28 -11.746 30.143 4.892 242 HG22 THR 28 HG22 THR 28 -13.107 31.226 4.619 243 HG23 THR 28 HG23 THR 28 -11.730 31.250 3.523 244 H ASN 29 H ASN 29 -13.064 30.313 0.409 245 HA ASN 29 HA ASN 29 -13.564 33.225 0.181 246 HB2 ASN 29 HB2 ASN 29 -11.440 33.372 1.224 247 HB3 ASN 29 HB3 ASN 29 -10.875 31.868 0.502 248 HD21 ASN 29 HD21 ASN 29 -9.086 32.555 -0.704 249 HD22 ASN 29 HD22 ASN 29 -9.142 33.767 -1.890 250 H LYS 30 H LYS 30 -11.537 30.735 -1.364 251 HA LYS 30 HA LYS 30 -13.111 30.492 -3.731 252 HB2 LYS 30 HB2 LYS 30 -11.852 32.986 -3.646 253 HB3 LYS 30 HB3 LYS 30 -10.678 32.020 -4.529 254 HG2 LYS 30 HG2 LYS 30 -12.562 31.251 -6.028 255 HG3 LYS 30 HG3 LYS 30 -13.602 32.420 -5.223 256 HD2 LYS 30 HD2 LYS 30 -11.593 34.079 -5.795 257 HD3 LYS 30 HD3 LYS 30 -11.279 32.894 -7.058 258 HE2 LYS 30 HE2 LYS 30 -14.040 34.048 -6.614 259 HE3 LYS 30 HE3 LYS 30 -12.864 34.834 -7.660 260 HZ1 LYS 30 HZ1 LYS 30 -13.700 32.010 -7.961 261 HZ2 LYS 30 HZ2 LYS 30 -12.759 32.928 -9.037 262 HZ3 LYS 30 HZ3 LYS 30 -14.401 33.301 -8.813 263 H PHE 31 H PHE 31 -9.753 30.899 -2.762 264 HA PHE 31 HA PHE 31 -9.254 28.088 -3.277 265 HB2 PHE 31 HB2 PHE 31 -8.820 29.726 -5.431 266 HB3 PHE 31 HB3 PHE 31 -7.267 29.906 -4.607 267 HD1 PHE 31 HD1 PHE 31 -6.090 27.760 -3.871 268 HD2 PHE 31 HD2 PHE 31 -9.285 27.726 -6.649 269 HE1 PHE 31 HE1 PHE 31 -5.532 25.463 -4.444 270 HE2 PHE 31 HE2 PHE 31 -8.704 25.419 -7.262 271 HZ PHE 31 HZ PHE 31 -6.864 24.274 -6.099 272 H ILE 32 H ILE 32 -7.123 27.496 -2.483 273 HA ILE 32 HA ILE 32 -6.382 29.314 -0.253 274 HB ILE 32 HB ILE 32 -5.125 26.770 0.026 275 HG12 ILE 32 HG12 ILE 32 -7.273 25.367 0.001 276 HG13 ILE 32 HG13 ILE 32 -7.982 26.620 -1.003 277 HG21 ILE 32 HG21 ILE 32 -6.004 28.137 1.875 278 HG22 ILE 32 HG22 ILE 32 -6.891 26.617 1.883 279 HG23 ILE 32 HG23 ILE 32 -7.633 28.065 1.212 280 HD11 ILE 32 HD11 ILE 32 -5.827 24.652 -1.643 281 HD12 ILE 32 HD12 ILE 32 -5.645 26.264 -2.326 282 HD13 ILE 32 HD13 ILE 32 -7.082 25.314 -2.685 283 H THR 33 H THR 33 -4.153 29.399 0.376 284 HA THR 33 HA THR 33 -2.476 30.022 -1.905 285 HB THR 33 HB THR 33 -1.515 29.859 0.997 286 HG1 THR 33 HG1 THR 33 -2.431 32.082 0.941 287 HG21 THR 33 HG21 THR 33 -1.145 32.094 -1.045 288 HG22 THR 33 HG22 THR 33 -0.109 30.674 -1.133 289 HG23 THR 33 HG23 THR 33 -0.098 31.683 0.310 290 H LYS 34 H LYS 34 -0.381 29.163 -2.277 291 HA LYS 34 HA LYS 34 -0.241 26.422 -2.609 292 HB2 LYS 34 HB2 LYS 34 1.864 28.559 -2.230 293 HB3 LYS 34 HB3 LYS 34 2.364 26.879 -2.374 294 HG2 LYS 34 HG2 LYS 34 2.359 27.938 -4.593 295 HG3 LYS 34 HG3 LYS 34 1.113 26.706 -4.523 296 HD2 LYS 34 HD2 LYS 34 0.348 29.497 -3.724 297 HD3 LYS 34 HD3 LYS 34 0.616 29.201 -5.433 298 HE2 LYS 34 HE2 LYS 34 -0.978 27.029 -4.551 299 HE3 LYS 34 HE3 LYS 34 -1.670 28.451 -3.791 300 HZ1 LYS 34 HZ1 LYS 34 -2.539 27.899 -6.041 301 HZ2 LYS 34 HZ2 LYS 34 -1.018 28.315 -6.674 302 HZ3 LYS 34 HZ3 LYS 34 -1.952 29.484 -5.871 303 H ASP 35 H ASP 35 0.619 28.294 0.224 304 HA ASP 35 HA ASP 35 1.812 26.115 1.668 305 HB2 ASP 35 HB2 ASP 35 0.374 28.626 2.686 306 HB3 ASP 35 HB3 ASP 35 1.420 27.598 3.662 307 H LYS 36 H LYS 36 -1.470 27.236 1.210 308 HA LYS 36 HA LYS 36 -2.495 25.416 3.275 309 HB2 LYS 36 HB2 LYS 36 -3.644 27.509 1.445 310 HB3 LYS 36 HB3 LYS 36 -4.733 26.292 2.101 311 HG2 LYS 36 HG2 LYS 36 -4.629 28.270 3.584 312 HG3 LYS 36 HG3 LYS 36 -3.988 26.844 4.390 313 HD2 LYS 36 HD2 LYS 36 -1.683 27.552 3.760 314 HD3 LYS 36 HD3 LYS 36 -2.349 29.005 3.023 315 HE2 LYS 36 HE2 LYS 36 -2.424 28.205 5.942 316 HE3 LYS 36 HE3 LYS 36 -1.663 29.627 5.238 317 HZ1 LYS 36 HZ1 LYS 36 -4.508 29.081 5.704 318 HZ2 LYS 36 HZ2 LYS 36 -4.061 30.126 4.443 319 HZ3 LYS 36 HZ3 LYS 36 -3.607 30.481 6.040 320 H ARG 37 H ARG 37 -2.768 25.681 -0.294 321 HA ARG 37 HA ARG 37 -4.350 23.333 -0.566 322 HB2 ARG 37 HB2 ARG 37 -3.737 23.388 -2.914 323 HB3 ARG 37 HB3 ARG 37 -3.806 25.067 -2.402 324 HG2 ARG 37 HG2 ARG 37 -1.756 25.129 -3.409 325 HG3 ARG 37 HG3 ARG 37 -1.224 24.558 -1.830 326 HD2 ARG 37 HD2 ARG 37 -0.243 22.946 -3.204 327 HD3 ARG 37 HD3 ARG 37 -1.798 22.177 -2.900 328 HE ARG 37 HE ARG 37 -2.305 22.479 -5.181 329 HH11 ARG 37 HH11 ARG 37 0.502 22.554 -5.935 330 HH12 ARG 37 HH12 ARG 37 0.686 24.089 -6.712 331 HH21 ARG 37 HH21 ARG 37 -2.290 25.356 -5.361 332 HH22 ARG 37 HH22 ARG 37 -0.938 25.717 -6.380 333 H ARG 38 H ARG 38 -1.092 23.881 0.206 334 HA ARG 38 HA ARG 38 -0.281 21.151 -0.469 335 HB2 ARG 38 HB2 ARG 38 1.370 23.011 -0.684 336 HB3 ARG 38 HB3 ARG 38 1.148 23.425 1.009 337 HG2 ARG 38 HG2 ARG 38 3.137 22.119 0.979 338 HG3 ARG 38 HG3 ARG 38 1.896 21.000 1.522 339 HD2 ARG 38 HD2 ARG 38 2.193 19.681 -0.296 340 HD3 ARG 38 HD3 ARG 38 2.051 21.057 -1.388 341 HE ARG 38 HE ARG 38 4.596 20.157 -0.112 342 HH11 ARG 38 HH11 ARG 38 3.635 23.024 -1.226 343 HH12 ARG 38 HH12 ARG 38 4.621 23.083 -2.647 344 HH21 ARG 38 HH21 ARG 38 5.502 19.699 -2.418 345 HH22 ARG 38 HH22 ARG 38 5.706 21.149 -3.341 346 H ARG 39 H ARG 39 -1.226 23.071 2.313 347 HA ARG 39 HA ARG 39 -0.454 21.078 4.254 348 HB2 ARG 39 HB2 ARG 39 -1.231 22.661 5.771 349 HB3 ARG 39 HB3 ARG 39 -1.414 23.715 4.381 350 HG2 ARG 39 HG2 ARG 39 -3.743 22.818 4.079 351 HG3 ARG 39 HG3 ARG 39 -3.549 21.927 5.581 352 HD2 ARG 39 HD2 ARG 39 -2.966 24.878 5.538 353 HD3 ARG 39 HD3 ARG 39 -4.642 24.338 5.605 354 HE ARG 39 HE ARG 39 -2.869 23.080 7.586 355 HH11 ARG 39 HH11 ARG 39 -5.728 24.680 6.912 356 HH12 ARG 39 HH12 ARG 39 -5.885 25.453 8.454 357 HH21 ARG 39 HH21 ARG 39 -2.697 24.444 9.508 358 HH22 ARG 39 HH22 ARG 39 -4.123 25.314 9.962 359 H ILE 40 H ILE 40 -3.295 21.827 2.353 360 HA ILE 40 HA ILE 40 -5.094 19.988 3.544 361 HB ILE 40 HB ILE 40 -4.757 20.924 0.650 362 HG12 ILE 40 HG12 ILE 40 -6.886 21.791 2.615 363 HG13 ILE 40 HG13 ILE 40 -5.313 22.570 2.595 364 HG21 ILE 40 HG21 ILE 40 -6.220 19.174 0.279 365 HG22 ILE 40 HG22 ILE 40 -7.410 20.283 0.952 366 HG23 ILE 40 HG23 ILE 40 -6.664 19.063 1.979 367 HD11 ILE 40 HD11 ILE 40 -7.513 23.062 0.862 368 HD12 ILE 40 HD12 ILE 40 -6.241 22.350 -0.114 369 HD13 ILE 40 HD13 ILE 40 -5.930 23.814 0.814 370 H SER 41 H SER 41 -3.476 19.535 0.379 371 HA SER 41 HA SER 41 -3.751 16.808 0.167 372 HB2 SER 41 HB2 SER 41 -2.134 17.053 -1.512 373 HB3 SER 41 HB3 SER 41 -2.193 18.774 -1.107 374 HG SER 41 HG SER 41 -0.144 18.347 -0.674 375 H ALA 42 H ALA 42 -1.254 18.512 2.066 376 HA ALA 42 HA ALA 42 0.153 16.148 2.906 377 HB1 ALA 42 HB1 ALA 42 1.026 18.531 3.112 378 HB2 ALA 42 HB2 ALA 42 1.139 17.637 4.626 379 HB3 ALA 42 HB3 ALA 42 -0.150 18.813 4.392 380 H THR 43 H THR 43 -2.788 17.572 3.780 381 HA THR 43 HA THR 43 -2.912 16.124 6.366 382 HB THR 43 HB THR 43 -4.395 18.420 5.105 383 HG1 THR 43 HG1 THR 43 -4.683 18.371 7.628 384 HG21 THR 43 HG21 THR 43 -6.341 17.863 6.762 385 HG22 THR 43 HG22 THR 43 -5.752 16.204 6.723 386 HG23 THR 43 HG23 THR 43 -6.351 16.959 5.250 387 H THR 44 H THR 44 -4.498 16.414 3.247 388 HA THR 44 HA THR 44 -6.307 14.217 3.656 389 HB THR 44 HB THR 44 -6.755 14.553 1.271 390 HG1 THR 44 HG1 THR 44 -5.156 15.231 -0.019 391 HG21 THR 44 HG21 THR 44 -6.222 16.924 2.870 392 HG22 THR 44 HG22 THR 44 -7.338 16.780 1.523 393 HG23 THR 44 HG23 THR 44 -5.657 17.210 1.227 394 H ASN 45 H ASN 45 -3.017 14.603 2.710 395 HA ASN 45 HA ASN 45 -1.276 13.100 2.449 396 HB2 ASN 45 HB2 ASN 45 -2.697 11.965 4.356 397 HB3 ASN 45 HB3 ASN 45 -3.148 10.813 3.105 398 HD21 ASN 45 HD21 ASN 45 -0.645 10.843 1.647 399 HD22 ASN 45 HD22 ASN 45 0.535 10.120 2.630 400 H LEU 46 H LEU 46 -1.932 13.762 0.060 401 HA LEU 46 HA LEU 46 -2.001 11.124 -1.381 402 HB2 LEU 46 HB2 LEU 46 -3.453 12.779 -3.124 403 HB3 LEU 46 HB3 LEU 46 -4.122 11.495 -2.136 404 HG LEU 46 HG LEU 46 -4.238 13.308 -0.267 405 HD11 LEU 46 HD11 LEU 46 -4.661 15.598 -1.445 406 HD12 LEU 46 HD12 LEU 46 -3.763 14.913 -2.785 407 HD13 LEU 46 HD13 LEU 46 -2.996 15.097 -1.212 408 HD21 LEU 46 HD21 LEU 46 -6.152 14.003 -2.434 409 HD22 LEU 46 HD22 LEU 46 -6.465 13.529 -0.770 410 HD23 LEU 46 HD23 LEU 46 -6.091 12.306 -1.973 411 H SER 47 H SER 47 -2.214 14.385 -2.759 412 HA SER 47 HA SER 47 0.598 14.119 -3.634 413 HB2 SER 47 HB2 SER 47 -1.685 14.876 -5.499 414 HB3 SER 47 HB3 SER 47 -0.008 14.537 -5.952 415 HG SER 47 HG SER 47 -0.369 12.469 -5.738 416 H GLU 48 H GLU 48 -0.699 16.332 -5.500 417 HA GLU 48 HA GLU 48 -0.922 18.570 -3.667 418 HB2 GLU 48 HB2 GLU 48 1.492 18.196 -5.501 419 HB3 GLU 48 HB3 GLU 48 1.068 19.732 -4.764 420 HG2 GLU 48 HG2 GLU 48 1.129 18.484 -2.507 421 HG3 GLU 48 HG3 GLU 48 1.936 17.183 -3.382 422 H ARG 49 H ARG 49 0.137 17.913 -6.979 423 HA ARG 49 HA ARG 49 -1.360 19.966 -8.179 424 HB2 ARG 49 HB2 ARG 49 0.500 18.543 -9.256 425 HB3 ARG 49 HB3 ARG 49 -0.688 17.254 -9.418 426 HG2 ARG 49 HG2 ARG 49 -1.197 18.217 -11.414 427 HG3 ARG 49 HG3 ARG 49 -2.034 19.434 -10.457 428 HD2 ARG 49 HD2 ARG 49 -0.491 20.572 -11.963 429 HD3 ARG 49 HD3 ARG 49 0.129 20.723 -10.320 430 HE ARG 49 HE ARG 49 1.812 19.030 -10.863 431 HH11 ARG 49 HH11 ARG 49 -0.014 17.864 -13.070 432 HH12 ARG 49 HH12 ARG 49 0.909 18.248 -14.483 433 HH21 ARG 49 HH21 ARG 49 2.949 20.531 -12.776 434 HH22 ARG 49 HH22 ARG 49 2.631 19.797 -14.312 435 H GLN 50 H GLN 50 -2.120 16.758 -7.105 436 HA GLN 50 HA GLN 50 -4.606 16.488 -8.505 437 HB2 GLN 50 HB2 GLN 50 -3.799 15.314 -5.804 438 HB3 GLN 50 HB3 GLN 50 -5.041 14.691 -6.879 439 HG2 GLN 50 HG2 GLN 50 -2.112 14.927 -7.629 440 HG3 GLN 50 HG3 GLN 50 -2.870 13.441 -7.063 441 HE21 GLN 50 HE21 GLN 50 -4.488 12.430 -8.482 442 HE22 GLN 50 HE22 GLN 50 -4.583 12.837 -10.127 443 H VAL 51 H VAL 51 -3.652 17.915 -5.412 444 HA VAL 51 HA VAL 51 -6.298 18.317 -4.431 445 HB VAL 51 HB VAL 51 -3.910 20.088 -3.991 446 HG11 VAL 51 HG11 VAL 51 -5.085 20.349 -1.728 447 HG12 VAL 51 HG12 VAL 51 -6.477 19.573 -2.482 448 HG13 VAL 51 HG13 VAL 51 -5.875 21.104 -3.106 449 HG21 VAL 51 HG21 VAL 51 -4.452 17.318 -3.209 450 HG22 VAL 51 HG22 VAL 51 -4.177 18.356 -1.816 451 HG23 VAL 51 HG23 VAL 51 -2.966 18.238 -3.080 452 H THR 52 H THR 52 -4.039 20.388 -5.993 453 HA THR 52 HA THR 52 -5.504 22.641 -6.468 454 HB THR 52 HB THR 52 -4.176 21.686 -8.920 455 HG1 THR 52 HG1 THR 52 -3.411 20.323 -7.092 456 HG21 THR 52 HG21 THR 52 -4.048 24.070 -8.358 457 HG22 THR 52 HG22 THR 52 -2.434 23.423 -8.083 458 HG23 THR 52 HG23 THR 52 -3.517 23.703 -6.722 459 H ILE 53 H ILE 53 -5.539 19.587 -8.164 460 HA ILE 53 HA ILE 53 -7.605 20.380 -10.045 461 HB ILE 53 HB ILE 53 -5.834 18.067 -9.476 462 HG12 ILE 53 HG12 ILE 53 -5.897 19.708 -11.455 463 HG13 ILE 53 HG13 ILE 53 -5.667 18.002 -11.821 464 HG21 ILE 53 HG21 ILE 53 -7.916 16.854 -9.046 465 HG22 ILE 53 HG22 ILE 53 -7.434 16.452 -10.690 466 HG23 ILE 53 HG23 ILE 53 -8.716 17.625 -10.408 467 HD11 ILE 53 HD11 ILE 53 -7.418 19.212 -13.247 468 HD12 ILE 53 HD12 ILE 53 -8.404 19.310 -11.792 469 HD13 ILE 53 HD13 ILE 53 -7.971 17.738 -12.460 470 H TRP 54 H TRP 54 -7.368 18.755 -6.977 471 HA TRP 54 HA TRP 54 -9.921 17.554 -6.843 472 HB2 TRP 54 HB2 TRP 54 -7.854 17.556 -5.219 473 HB3 TRP 54 HB3 TRP 54 -8.585 18.971 -4.494 474 HD1 TRP 54 HD1 TRP 54 -11.539 17.304 -5.289 475 HE1 TRP 54 HE1 TRP 54 -12.107 15.460 -3.627 476 HE3 TRP 54 HE3 TRP 54 -7.234 17.212 -2.884 477 HZ2 TRP 54 HZ2 TRP 54 -10.708 14.064 -1.355 478 HZ3 TRP 54 HZ3 TRP 54 -6.790 15.681 -1.026 479 HH2 TRP 54 HH2 TRP 54 -8.499 14.098 -0.294 480 H PHE 55 H PHE 55 -8.651 20.774 -6.305 481 HA PHE 55 HA PHE 55 -11.203 21.796 -5.379 482 HB2 PHE 55 HB2 PHE 55 -8.578 22.945 -6.297 483 HB3 PHE 55 HB3 PHE 55 -9.970 24.023 -6.185 484 HD1 PHE 55 HD1 PHE 55 -11.189 24.244 -4.022 485 HD2 PHE 55 HD2 PHE 55 -7.564 22.045 -4.321 486 HE1 PHE 55 HE1 PHE 55 -11.025 24.159 -1.588 487 HE2 PHE 55 HE2 PHE 55 -7.425 21.953 -1.884 488 HZ PHE 55 HZ PHE 55 -9.154 23.029 -0.514 489 H GLN 56 H GLN 56 -9.554 21.790 -8.528 490 HA GLN 56 HA GLN 56 -11.606 23.281 -9.880 491 HB2 GLN 56 HB2 GLN 56 -9.593 21.218 -10.864 492 HB3 GLN 56 HB3 GLN 56 -10.583 22.186 -11.937 493 HG2 GLN 56 HG2 GLN 56 -9.631 24.244 -10.760 494 HG3 GLN 56 HG3 GLN 56 -8.468 23.161 -10.004 495 HE21 GLN 56 HE21 GLN 56 -9.803 23.424 -13.349 496 HE22 GLN 56 HE22 GLN 56 -8.286 23.438 -14.110 497 H ASN 57 H ASN 57 -11.331 20.008 -8.836 498 HA ASN 57 HA ASN 57 -13.389 19.004 -10.651 499 HB2 ASN 57 HB2 ASN 57 -11.583 17.906 -8.536 500 HB3 ASN 57 HB3 ASN 57 -13.168 17.142 -8.602 501 HD21 ASN 57 HD21 ASN 57 -13.626 15.767 -10.383 502 HD22 ASN 57 HD22 ASN 57 -12.512 15.441 -11.621 503 H ARG 58 H ARG 58 -12.972 20.155 -7.430 504 HA ARG 58 HA ARG 58 -15.596 19.484 -6.507 505 HB2 ARG 58 HB2 ARG 58 -13.217 20.910 -5.582 506 HB3 ARG 58 HB3 ARG 58 -14.650 21.830 -5.196 507 HG2 ARG 58 HG2 ARG 58 -14.509 18.869 -4.634 508 HG3 ARG 58 HG3 ARG 58 -13.870 20.039 -3.483 509 HD2 ARG 58 HD2 ARG 58 -16.053 21.132 -3.318 510 HD3 ARG 58 HD3 ARG 58 -16.709 20.074 -4.568 511 HE ARG 58 HE ARG 58 -15.826 19.100 -1.877 512 HH11 ARG 58 HH11 ARG 58 -18.681 19.676 -3.113 513 HH12 ARG 58 HH12 ARG 58 -19.233 18.047 -3.316 514 HH21 ARG 58 HH21 ARG 58 -16.038 16.689 -2.822 515 HH22 ARG 58 HH22 ARG 58 -17.698 16.311 -3.146 516 H ARG 59 H ARG 59 -14.248 21.822 -8.615 517 HA ARG 59 HA ARG 59 -16.517 23.714 -8.294 518 HB2 ARG 59 HB2 ARG 59 -14.132 24.483 -8.831 519 HB3 ARG 59 HB3 ARG 59 -14.262 23.649 -10.376 520 HG2 ARG 59 HG2 ARG 59 -16.377 25.046 -10.785 521 HG3 ARG 59 HG3 ARG 59 -15.884 26.014 -9.400 522 HD2 ARG 59 HD2 ARG 59 -13.674 26.408 -10.521 523 HD3 ARG 59 HD3 ARG 59 -14.274 25.541 -11.935 524 HE ARG 59 HE ARG 59 -14.979 28.261 -11.185 525 HH11 ARG 59 HH11 ARG 59 -16.147 25.311 -12.471 526 HH12 ARG 59 HH12 ARG 59 -17.230 26.053 -13.601 527 HH21 ARG 59 HH21 ARG 59 -16.276 29.300 -12.689 528 HH22 ARG 59 HH22 ARG 59 -17.303 28.373 -13.729 529 H VAL 60 H VAL 60 -15.348 21.131 -10.177 530 HA VAL 60 HA VAL 60 -17.292 21.477 -12.321 531 HB VAL 60 HB VAL 60 -14.814 20.114 -11.893 532 HG11 VAL 60 HG11 VAL 60 -16.995 18.118 -12.609 533 HG12 VAL 60 HG12 VAL 60 -16.224 18.195 -11.033 534 HG13 VAL 60 HG13 VAL 60 -15.273 17.791 -12.455 535 HG21 VAL 60 HG21 VAL 60 -14.905 19.745 -14.265 536 HG22 VAL 60 HG22 VAL 60 -15.799 21.235 -13.977 537 HG23 VAL 60 HG23 VAL 60 -16.666 19.729 -14.267 538 H LYS 61 H LYS 61 -16.990 19.958 -9.261 539 HA LYS 61 HA LYS 61 -19.107 17.993 -9.663 540 HB2 LYS 61 HB2 LYS 61 -17.222 17.748 -7.974 541 HB3 LYS 61 HB3 LYS 61 -17.903 19.095 -7.070 542 HG2 LYS 61 HG2 LYS 61 -19.870 17.882 -6.523 543 HG3 LYS 61 HG3 LYS 61 -19.573 16.676 -7.771 544 HD2 LYS 61 HD2 LYS 61 -17.635 15.826 -6.549 545 HD3 LYS 61 HD3 LYS 61 -17.790 17.105 -5.351 546 HE2 LYS 61 HE2 LYS 61 -18.776 14.923 -4.596 547 HE3 LYS 61 HE3 LYS 61 -19.944 16.238 -4.624 548 HZ1 LYS 61 HZ1 LYS 61 -19.867 13.824 -6.168 549 HZ2 LYS 61 HZ2 LYS 61 -20.115 15.209 -7.118 550 HZ3 LYS 61 HZ3 LYS 61 -21.170 14.861 -5.836 551 H GLU 62 H GLU 62 -18.800 21.273 -8.472 552 HA GLU 62 HA GLU 62 -21.349 21.438 -7.188 553 HB2 GLU 62 HB2 GLU 62 -19.453 23.428 -8.491 554 HB3 GLU 62 HB3 GLU 62 -21.030 23.961 -7.930 555 HG2 GLU 62 HG2 GLU 62 -19.330 22.324 -6.076 556 HG3 GLU 62 HG3 GLU 62 -18.933 24.028 -6.301 557 H LYS 63 H LYS 63 -20.264 21.494 -10.447 558 HA LYS 63 HA LYS 63 -22.828 22.443 -11.491 559 HB2 LYS 63 HB2 LYS 63 -20.357 21.352 -12.910 560 HB3 LYS 63 HB3 LYS 63 -21.702 22.173 -13.693 561 HG2 LYS 63 HG2 LYS 63 -20.666 23.719 -11.447 562 HG3 LYS 63 HG3 LYS 63 -19.408 23.387 -12.636 563 HD2 LYS 63 HD2 LYS 63 -20.542 25.450 -13.269 564 HD3 LYS 63 HD3 LYS 63 -20.966 24.199 -14.431 565 HE2 LYS 63 HE2 LYS 63 -23.106 23.836 -13.381 566 HE3 LYS 63 HE3 LYS 63 -22.666 24.835 -12.002 567 HZ1 LYS 63 HZ1 LYS 63 -24.131 25.878 -13.746 568 HZ2 LYS 63 HZ2 LYS 63 -22.766 25.909 -14.754 569 HZ3 LYS 63 HZ3 LYS 63 -22.757 26.766 -13.287 570 H LYS 64 H LYS 64 -21.283 19.473 -10.752 571 HA LYS 64 HA LYS 64 -22.691 17.825 -12.638 572 HB2 LYS 64 HB2 LYS 64 -21.209 17.388 -10.039 573 HB3 LYS 64 HB3 LYS 64 -22.278 16.105 -10.585 574 HG2 LYS 64 HG2 LYS 64 -20.406 17.313 -12.585 575 HG3 LYS 64 HG3 LYS 64 -19.728 16.222 -11.380 576 HD2 LYS 64 HD2 LYS 64 -21.355 14.484 -12.013 577 HD3 LYS 64 HD3 LYS 64 -22.082 15.575 -13.187 578 HE2 LYS 64 HE2 LYS 64 -19.155 14.791 -13.254 579 HE3 LYS 64 HE3 LYS 64 -20.399 13.925 -14.147 580 HZ1 LYS 64 HZ1 LYS 64 -20.970 15.991 -15.270 581 HZ2 LYS 64 HZ2 LYS 64 -19.347 15.569 -15.532 582 HZ3 LYS 64 HZ3 LYS 64 -19.736 16.802 -14.430 583 H VAL 65 H VAL 65 -23.717 19.791 -10.249 584 HA VAL 65 HA VAL 65 -25.676 18.367 -8.819 585 HB VAL 65 HB VAL 65 -24.929 20.918 -8.783 586 HG11 VAL 65 HG11 VAL 65 -27.468 21.337 -10.314 587 HG12 VAL 65 HG12 VAL 65 -26.000 21.015 -11.231 588 HG13 VAL 65 HG13 VAL 65 -26.076 22.403 -10.152 589 HG21 VAL 65 HG21 VAL 65 -27.855 20.258 -8.405 590 HG22 VAL 65 HG22 VAL 65 -26.916 21.474 -7.545 591 HG23 VAL 65 HG23 VAL 65 -26.598 19.764 -7.277 592 H ILE 66 H ILE 66 -25.487 19.178 -12.125 593 HA ILE 66 HA ILE 66 -28.159 19.310 -12.930 594 HB ILE 66 HB ILE 66 -25.894 19.417 -14.279 595 HG12 ILE 66 HG12 ILE 66 -28.252 17.929 -15.501 596 HG13 ILE 66 HG13 ILE 66 -28.208 19.668 -15.233 597 HG21 ILE 66 HG21 ILE 66 -25.047 17.367 -15.112 598 HG22 ILE 66 HG22 ILE 66 -26.591 16.537 -14.942 599 HG23 ILE 66 HG23 ILE 66 -25.599 16.850 -13.521 600 HD11 ILE 66 HD11 ILE 66 -27.461 19.458 -17.463 601 HD12 ILE 66 HD12 ILE 66 -26.526 18.008 -17.109 602 HD13 ILE 66 HD13 ILE 66 -25.957 19.580 -16.555 603 H ASN 67 H ASN 67 -26.501 16.738 -11.453 604 HA ASN 67 HA ASN 67 -28.445 14.715 -12.434 605 HB2 ASN 67 HB2 ASN 67 -25.808 14.429 -12.094 606 HB3 ASN 67 HB3 ASN 67 -26.256 14.155 -10.414 607 HD21 ASN 67 HD21 ASN 67 -25.274 12.261 -12.647 608 HD22 ASN 67 HD22 ASN 67 -26.403 10.994 -12.632 609 H LYS 68 H LYS 68 -28.074 16.892 -9.916 610 HA LYS 68 HA LYS 68 -29.259 15.263 -7.804 611 HB2 LYS 68 HB2 LYS 68 -27.729 17.278 -7.437 612 HB3 LYS 68 HB3 LYS 68 -29.042 18.308 -7.997 613 HG2 LYS 68 HG2 LYS 68 -30.489 17.198 -6.192 614 HG3 LYS 68 HG3 LYS 68 -28.994 16.530 -5.546 615 HD2 LYS 68 HD2 LYS 68 -28.065 18.803 -5.313 616 HD3 LYS 68 HD3 LYS 68 -29.539 19.485 -5.995 617 HE2 LYS 68 HE2 LYS 68 -29.395 17.825 -3.456 618 HE3 LYS 68 HE3 LYS 68 -29.547 19.576 -3.510 619 HZ1 LYS 68 HZ1 LYS 68 -31.490 17.771 -4.817 620 HZ2 LYS 68 HZ2 LYS 68 -31.663 19.425 -4.473 621 HZ3 LYS 68 HZ3 LYS 68 -31.659 18.290 -3.209 622 H LEU 69 H LEU 69 -30.380 17.547 -10.216 623 HA LEU 69 HA LEU 69 -33.192 16.936 -9.375 624 HB2 LEU 69 HB2 LEU 69 -32.068 19.561 -10.472 625 HB3 LEU 69 HB3 LEU 69 -33.762 19.266 -10.101 626 HG LEU 69 HG LEU 69 -31.597 18.887 -8.023 627 HD11 LEU 69 HD11 LEU 69 -33.114 21.398 -8.790 628 HD12 LEU 69 HD12 LEU 69 -31.368 21.191 -8.677 629 HD13 LEU 69 HD13 LEU 69 -32.352 21.190 -7.216 630 HD21 LEU 69 HD21 LEU 69 -33.639 19.413 -6.555 631 HD22 LEU 69 HD22 LEU 69 -33.674 17.870 -7.402 632 HD23 LEU 69 HD23 LEU 69 -34.606 19.233 -8.015 633 H LYS 70 H LYS 70 -32.688 19.050 -12.018 634 HA LYS 70 HA LYS 70 -34.161 17.629 -13.885 635 HB2 LYS 70 HB2 LYS 70 -31.686 19.379 -14.292 636 HB3 LYS 70 HB3 LYS 70 -32.689 18.826 -15.628 637 HG2 LYS 70 HG2 LYS 70 -34.523 20.116 -14.959 638 HG3 LYS 70 HG3 LYS 70 -33.994 20.180 -13.282 639 HD2 LYS 70 HD2 LYS 70 -33.603 22.365 -14.251 640 HD3 LYS 70 HD3 LYS 70 -32.035 21.592 -14.043 641 HE2 LYS 70 HE2 LYS 70 -31.903 21.025 -16.370 642 HE3 LYS 70 HE3 LYS 70 -33.596 21.422 -16.634 643 HZ1 LYS 70 HZ1 LYS 70 -31.526 23.385 -15.828 644 HZ2 LYS 70 HZ2 LYS 70 -33.135 23.719 -16.256 645 HZ3 LYS 70 HZ3 LYS 70 -32.048 23.140 -17.425 646 H THR 71 H THR 71 -33.818 15.425 -13.829 647 HA THR 71 HA THR 71 -31.321 14.518 -15.187 648 HB THR 71 HB THR 71 -32.534 13.457 -12.572 649 HG1 THR 71 HG1 THR 71 -30.082 14.469 -13.570 650 HG21 THR 71 HG21 THR 71 -30.382 12.209 -14.381 651 HG22 THR 71 HG22 THR 71 -31.965 11.497 -14.084 652 HG23 THR 71 HG23 THR 71 -30.800 11.636 -12.770 653 H THR 72 H THR 72 -31.622 12.969 -16.681 654 HA THR 72 HA THR 72 -34.421 11.983 -17.060 655 HB THR 72 HB THR 72 -32.157 11.894 -19.132 656 HG1 THR 72 HG1 THR 72 -34.065 13.930 -19.031 657 HG21 THR 72 HG21 THR 72 -34.167 12.213 -20.660 658 HG22 THR 72 HG22 THR 72 -35.221 12.170 -19.249 659 HG23 THR 72 HG23 THR 72 -34.318 10.733 -19.718 660 H SER 73 H SER 73 -34.015 10.313 -15.438 661 HA SER 73 HA SER 73 -33.501 8.108 -14.838 662 HB2 SER 73 HB2 SER 73 -34.645 7.833 -17.169 663 HB3 SER 73 HB3 SER 73 -33.004 7.630 -17.815 664 HG SER 73 HG SER 73 -32.976 5.718 -16.961 Start of MODEL 8 1 HA MET 1 HA MET 1 -6.912 0.940 33.832 2 H SER 2 H SER 2 -5.767 -0.700 33.045 3 HA SER 2 HA SER 2 -3.283 -0.315 31.647 4 HB2 SER 2 HB2 SER 2 -4.978 -2.871 31.763 5 HB3 SER 2 HB3 SER 2 -3.216 -2.763 31.584 6 HG SER 2 HG SER 2 -3.028 -2.332 33.642 7 H HIS 3 H HIS 3 -2.761 -0.706 29.496 8 HA HIS 3 HA HIS 3 -5.018 -0.283 27.630 9 HB2 HIS 3 HB2 HIS 3 -2.209 0.413 27.709 10 HB3 HIS 3 HB3 HIS 3 -2.483 -0.555 26.264 11 HD1 HIS 3 HD1 HIS 3 -4.790 1.920 27.767 12 HD2 HIS 3 HD2 HIS 3 -2.739 1.370 24.309 13 HE1 HIS 3 HE1 HIS 3 -5.541 3.708 26.313 14 H MET 4 H MET 4 -4.921 -1.512 25.525 15 HA MET 4 HA MET 4 -3.840 -4.254 25.796 16 HB2 MET 4 HB2 MET 4 -6.406 -3.810 26.644 17 HB3 MET 4 HB3 MET 4 -6.710 -4.093 24.932 18 HG2 MET 4 HG2 MET 4 -6.822 -6.220 25.997 19 HG3 MET 4 HG3 MET 4 -5.325 -6.175 25.104 20 HE1 MET 4 HE1 MET 4 -5.827 -7.956 28.932 21 HE2 MET 4 HE2 MET 4 -6.607 -8.021 27.352 22 HE3 MET 4 HE3 MET 4 -7.045 -6.755 28.500 23 H LEU 5 H LEU 5 -4.807 -1.593 23.938 24 HA LEU 5 HA LEU 5 -5.091 -2.987 21.401 25 HB2 LEU 5 HB2 LEU 5 -4.521 -0.050 22.055 26 HB3 LEU 5 HB3 LEU 5 -4.938 -0.652 20.455 27 HG LEU 5 HG LEU 5 -7.019 -1.692 21.702 28 HD11 LEU 5 HD11 LEU 5 -6.455 -1.186 23.975 29 HD12 LEU 5 HD12 LEU 5 -7.714 -0.035 23.543 30 HD13 LEU 5 HD13 LEU 5 -6.030 0.475 23.575 31 HD21 LEU 5 HD21 LEU 5 -8.294 0.267 21.109 32 HD22 LEU 5 HD22 LEU 5 -6.955 0.180 19.969 33 HD23 LEU 5 HD23 LEU 5 -6.894 1.314 21.315 34 H GLU 6 H GLU 6 -3.533 -1.563 19.665 35 HA GLU 6 HA GLU 6 -0.756 -2.361 20.472 36 HB2 GLU 6 HB2 GLU 6 -2.327 -2.673 17.901 37 HB3 GLU 6 HB3 GLU 6 -0.573 -2.552 17.823 38 HG2 GLU 6 HG2 GLU 6 -1.902 -4.473 19.734 39 HG3 GLU 6 HG3 GLU 6 -1.611 -4.927 18.057 40 H GLY 7 H GLY 7 -1.815 -0.668 17.567 41 HA2 GLY 7 HA2 GLY 7 -0.139 1.669 18.424 42 HA3 GLY 7 HA3 GLY 7 -0.327 1.162 16.750 43 H ARG 8 H ARG 8 -0.835 3.739 17.255 44 HA ARG 8 HA ARG 8 -3.750 4.031 17.714 45 HB2 ARG 8 HB2 ARG 8 -1.961 6.339 16.942 46 HB3 ARG 8 HB3 ARG 8 -3.278 6.301 18.111 47 HG2 ARG 8 HG2 ARG 8 -1.787 4.763 19.523 48 HG3 ARG 8 HG3 ARG 8 -0.473 5.204 18.438 49 HD2 ARG 8 HD2 ARG 8 -0.609 6.654 20.501 50 HD3 ARG 8 HD3 ARG 8 -0.732 7.561 18.996 51 HE ARG 8 HE ARG 8 -3.016 8.015 19.501 52 HH11 ARG 8 HH11 ARG 8 -1.447 7.294 22.237 53 HH12 ARG 8 HH12 ARG 8 -2.778 6.609 23.107 54 HH21 ARG 8 HH21 ARG 8 -4.819 6.448 20.263 55 HH22 ARG 8 HH22 ARG 8 -4.736 6.118 21.962 56 H LYS 9 H LYS 9 -3.215 2.598 15.439 57 HA LYS 9 HA LYS 9 -3.076 4.272 13.093 58 HB2 LYS 9 HB2 LYS 9 -2.484 1.835 13.083 59 HB3 LYS 9 HB3 LYS 9 -4.149 1.430 13.464 60 HG2 LYS 9 HG2 LYS 9 -3.744 1.181 11.044 61 HG3 LYS 9 HG3 LYS 9 -4.900 2.471 11.344 62 HD2 LYS 9 HD2 LYS 9 -3.046 2.999 9.655 63 HD3 LYS 9 HD3 LYS 9 -3.254 4.171 10.945 64 HE2 LYS 9 HE2 LYS 9 -1.328 3.410 12.103 65 HE3 LYS 9 HE3 LYS 9 -1.304 1.881 11.232 66 HZ1 LYS 9 HZ1 LYS 9 -1.040 4.320 9.658 67 HZ2 LYS 9 HZ2 LYS 9 -0.310 2.801 9.443 68 HZ3 LYS 9 HZ3 LYS 9 0.286 3.872 10.620 69 H LYS 10 H LYS 10 -4.799 4.554 11.529 70 HA LYS 10 HA LYS 10 -7.524 4.613 12.779 71 HB2 LYS 10 HB2 LYS 10 -6.629 6.656 10.729 72 HB3 LYS 10 HB3 LYS 10 -7.874 6.811 11.962 73 HG2 LYS 10 HG2 LYS 10 -5.668 6.383 13.517 74 HG3 LYS 10 HG3 LYS 10 -4.953 7.253 12.164 75 HD2 LYS 10 HD2 LYS 10 -6.894 8.929 12.435 76 HD3 LYS 10 HD3 LYS 10 -7.191 8.157 13.988 77 HE2 LYS 10 HE2 LYS 10 -5.705 10.109 14.262 78 HE3 LYS 10 HE3 LYS 10 -4.854 8.624 14.664 79 HZ1 LYS 10 HZ1 LYS 10 -4.384 10.490 12.529 80 HZ2 LYS 10 HZ2 LYS 10 -4.383 8.868 12.026 81 HZ3 LYS 10 HZ3 LYS 10 -3.327 9.375 13.255 82 H ARG 11 H ARG 11 -9.209 5.036 11.008 83 HA ARG 11 HA ARG 11 -9.143 2.813 9.214 84 HB2 ARG 11 HB2 ARG 11 -10.870 5.329 9.312 85 HB3 ARG 11 HB3 ARG 11 -11.186 3.993 8.212 86 HG2 ARG 11 HG2 ARG 11 -11.202 2.473 10.262 87 HG3 ARG 11 HG3 ARG 11 -11.202 3.936 11.241 88 HD2 ARG 11 HD2 ARG 11 -13.421 4.222 10.894 89 HD3 ARG 11 HD3 ARG 11 -13.199 4.141 9.146 90 HE ARG 11 HE ARG 11 -14.143 1.983 10.825 91 HH11 ARG 11 HH11 ARG 11 -14.308 2.753 7.773 92 HH12 ARG 11 HH12 ARG 11 -13.680 1.297 7.076 93 HH21 ARG 11 HH21 ARG 11 -12.446 0.127 10.141 94 HH22 ARG 11 HH22 ARG 11 -12.597 -0.229 8.454 95 H VAL 12 H VAL 12 -9.613 3.153 6.816 96 HA VAL 12 HA VAL 12 -7.295 4.269 5.610 97 HB VAL 12 HB VAL 12 -8.872 4.040 3.477 98 HG11 VAL 12 HG11 VAL 12 -7.110 2.425 4.062 99 HG12 VAL 12 HG12 VAL 12 -8.560 1.568 3.552 100 HG13 VAL 12 HG13 VAL 12 -8.165 1.685 5.264 101 HG21 VAL 12 HG21 VAL 12 -10.876 2.770 3.830 102 HG22 VAL 12 HG22 VAL 12 -10.922 4.059 5.028 103 HG23 VAL 12 HG23 VAL 12 -10.450 2.430 5.504 104 HA PRO 13 HA PRO 13 -8.178 8.511 5.124 105 HB2 PRO 13 HB2 PRO 13 -7.428 8.662 2.323 106 HB3 PRO 13 HB3 PRO 13 -6.458 9.130 3.720 107 HG2 PRO 13 HG2 PRO 13 -6.136 6.783 2.027 108 HG3 PRO 13 HG3 PRO 13 -5.116 7.294 3.372 109 HD2 PRO 13 HD2 PRO 13 -6.951 5.087 3.334 110 HD3 PRO 13 HD3 PRO 13 -6.008 5.682 4.712 111 H TYR 14 H TYR 14 -8.952 9.856 2.769 112 HA TYR 14 HA TYR 14 -10.873 10.354 1.526 113 HB2 TYR 14 HB2 TYR 14 -10.215 7.820 0.817 114 HB3 TYR 14 HB3 TYR 14 -11.748 7.463 1.605 115 HD1 TYR 14 HD1 TYR 14 -13.102 10.144 0.920 116 HD2 TYR 14 HD2 TYR 14 -10.892 7.393 -1.455 117 HE1 TYR 14 HE1 TYR 14 -14.288 10.918 -1.083 118 HE2 TYR 14 HE2 TYR 14 -12.078 8.165 -3.456 119 HH TYR 14 HH TYR 14 -13.689 9.453 -4.261 120 H THR 15 H THR 15 -11.101 10.856 4.135 121 HA THR 15 HA THR 15 -13.776 9.755 4.920 122 HB THR 15 HB THR 15 -11.972 11.248 6.864 123 HG1 THR 15 HG1 THR 15 -11.693 8.613 5.822 124 HG21 THR 15 HG21 THR 15 -14.285 10.142 7.433 125 HG22 THR 15 HG22 THR 15 -12.930 9.629 8.435 126 HG23 THR 15 HG23 THR 15 -13.494 8.597 7.125 127 H LYS 16 H LYS 16 -13.637 11.999 6.996 128 HA LYS 16 HA LYS 16 -15.076 13.932 5.301 129 HB2 LYS 16 HB2 LYS 16 -14.686 13.688 8.324 130 HB3 LYS 16 HB3 LYS 16 -15.639 14.959 7.572 131 HG2 LYS 16 HG2 LYS 16 -16.242 12.144 6.754 132 HG3 LYS 16 HG3 LYS 16 -16.732 12.619 8.375 133 HD2 LYS 16 HD2 LYS 16 -17.409 14.660 6.380 134 HD3 LYS 16 HD3 LYS 16 -18.160 13.111 6.027 135 HE2 LYS 16 HE2 LYS 16 -19.299 13.050 8.088 136 HE3 LYS 16 HE3 LYS 16 -18.220 14.225 8.827 137 HZ1 LYS 16 HZ1 LYS 16 -20.455 14.659 6.980 138 HZ2 LYS 16 HZ2 LYS 16 -19.165 15.764 6.982 139 HZ3 LYS 16 HZ3 LYS 16 -20.051 15.491 8.405 140 H VAL 17 H VAL 17 -12.243 13.824 7.432 141 HA VAL 17 HA VAL 17 -11.604 16.565 7.452 142 HB VAL 17 HB VAL 17 -9.573 14.301 7.150 143 HG11 VAL 17 HG11 VAL 17 -8.605 16.539 7.148 144 HG12 VAL 17 HG12 VAL 17 -8.260 15.785 8.700 145 HG13 VAL 17 HG13 VAL 17 -9.543 16.986 8.569 146 HG21 VAL 17 HG21 VAL 17 -11.290 15.105 9.503 147 HG22 VAL 17 HG22 VAL 17 -9.729 14.325 9.741 148 HG23 VAL 17 HG23 VAL 17 -11.004 13.491 8.859 149 H GLN 18 H GLN 18 -11.537 14.247 4.992 150 HA GLN 18 HA GLN 18 -9.695 15.658 3.246 151 HB2 GLN 18 HB2 GLN 18 -10.417 13.122 3.313 152 HB3 GLN 18 HB3 GLN 18 -11.831 13.653 2.415 153 HG2 GLN 18 HG2 GLN 18 -10.341 14.650 0.701 154 HG3 GLN 18 HG3 GLN 18 -8.944 14.045 1.590 155 HE21 GLN 18 HE21 GLN 18 -8.316 11.915 1.187 156 HE22 GLN 18 HE22 GLN 18 -9.227 10.797 0.292 157 H LEU 19 H LEU 19 -13.167 14.901 2.891 158 HA LEU 19 HA LEU 19 -13.512 17.038 0.957 159 HB2 LEU 19 HB2 LEU 19 -15.269 15.029 2.351 160 HB3 LEU 19 HB3 LEU 19 -16.057 16.449 1.672 161 HG LEU 19 HG LEU 19 -15.870 14.464 0.090 162 HD11 LEU 19 HD11 LEU 19 -14.281 16.687 -1.120 163 HD12 LEU 19 HD12 LEU 19 -15.843 17.112 -0.430 164 HD13 LEU 19 HD13 LEU 19 -15.742 15.906 -1.711 165 HD21 LEU 19 HD21 LEU 19 -13.751 13.828 -0.762 166 HD22 LEU 19 HD22 LEU 19 -13.465 14.002 0.964 167 HD23 LEU 19 HD23 LEU 19 -12.963 15.271 -0.145 168 H LYS 20 H LYS 20 -13.352 16.934 4.319 169 HA LYS 20 HA LYS 20 -15.199 19.151 4.743 170 HB2 LYS 20 HB2 LYS 20 -14.765 17.511 6.567 171 HB3 LYS 20 HB3 LYS 20 -13.054 17.921 6.544 172 HG2 LYS 20 HG2 LYS 20 -13.644 20.278 7.118 173 HG3 LYS 20 HG3 LYS 20 -15.333 19.800 7.234 174 HD2 LYS 20 HD2 LYS 20 -13.576 18.032 8.770 175 HD3 LYS 20 HD3 LYS 20 -13.458 19.704 9.301 176 HE2 LYS 20 HE2 LYS 20 -16.182 18.541 8.802 177 HE3 LYS 20 HE3 LYS 20 -15.339 18.115 10.285 178 HZ1 LYS 20 HZ1 LYS 20 -16.297 19.986 11.017 179 HZ2 LYS 20 HZ2 LYS 20 -16.476 20.651 9.465 180 HZ3 LYS 20 HZ3 LYS 20 -14.978 20.743 10.261 181 H GLU 21 H GLU 21 -11.704 18.625 4.423 182 HA GLU 21 HA GLU 21 -11.117 21.446 4.954 183 HB2 GLU 21 HB2 GLU 21 -9.576 19.266 5.114 184 HB3 GLU 21 HB3 GLU 21 -9.261 19.610 3.419 185 HG2 GLU 21 HG2 GLU 21 -8.387 21.787 3.933 186 HG3 GLU 21 HG3 GLU 21 -8.980 21.706 5.589 187 H LEU 22 H LEU 22 -11.949 19.531 2.215 188 HA LEU 22 HA LEU 22 -10.984 21.436 0.223 189 HB2 LEU 22 HB2 LEU 22 -12.179 18.773 0.315 190 HB3 LEU 22 HB3 LEU 22 -13.089 19.759 -0.820 191 HG LEU 22 HG LEU 22 -11.294 18.685 -2.037 192 HD11 LEU 22 HD11 LEU 22 -9.898 21.224 -1.884 193 HD12 LEU 22 HD12 LEU 22 -11.642 21.473 -1.869 194 HD13 LEU 22 HD13 LEU 22 -10.887 20.583 -3.189 195 HD21 LEU 22 HD21 LEU 22 -9.533 19.820 0.153 196 HD22 LEU 22 HD22 LEU 22 -8.904 19.157 -1.350 197 HD23 LEU 22 HD23 LEU 22 -9.791 18.123 -0.236 198 H GLU 23 H GLU 23 -13.967 20.730 1.870 199 HA GLU 23 HA GLU 23 -15.631 22.483 0.246 200 HB2 GLU 23 HB2 GLU 23 -16.594 20.591 1.509 201 HB3 GLU 23 HB3 GLU 23 -16.031 21.282 3.026 202 HG2 GLU 23 HG2 GLU 23 -17.581 23.056 2.936 203 HG3 GLU 23 HG3 GLU 23 -17.829 22.873 1.201 204 H ARG 24 H ARG 24 -13.886 22.854 3.263 205 HA ARG 24 HA ARG 24 -15.072 25.458 3.806 206 HB2 ARG 24 HB2 ARG 24 -13.044 25.569 5.485 207 HB3 ARG 24 HB3 ARG 24 -14.300 24.381 5.793 208 HG2 ARG 24 HG2 ARG 24 -12.625 22.860 5.858 209 HG3 ARG 24 HG3 ARG 24 -12.568 23.018 4.116 210 HD2 ARG 24 HD2 ARG 24 -10.417 23.496 4.563 211 HD3 ARG 24 HD3 ARG 24 -11.061 25.121 4.718 212 HE ARG 24 HE ARG 24 -10.993 23.491 7.187 213 HH11 ARG 24 HH11 ARG 24 -11.224 26.376 7.397 214 HH12 ARG 24 HH12 ARG 24 -9.600 26.909 7.678 215 HH21 ARG 24 HH21 ARG 24 -8.202 23.897 6.558 216 HH22 ARG 24 HH22 ARG 24 -7.845 25.471 7.188 217 H GLU 25 H GLU 25 -11.927 24.299 2.625 218 HA GLU 25 HA GLU 25 -10.704 26.814 2.324 219 HB2 GLU 25 HB2 GLU 25 -10.613 24.261 0.674 220 HB3 GLU 25 HB3 GLU 25 -9.675 25.665 0.185 221 HG2 GLU 25 HG2 GLU 25 -9.499 24.346 2.895 222 HG3 GLU 25 HG3 GLU 25 -8.359 24.084 1.596 223 H TYR 26 H TYR 26 -13.174 25.196 0.496 224 HA TYR 26 HA TYR 26 -13.111 27.259 -1.627 225 HB2 TYR 26 HB2 TYR 26 -14.187 24.600 -1.285 226 HB3 TYR 26 HB3 TYR 26 -15.517 25.674 -1.701 227 HD1 TYR 26 HD1 TYR 26 -11.909 25.796 -2.683 228 HD2 TYR 26 HD2 TYR 26 -15.932 25.322 -3.974 229 HE1 TYR 26 HE1 TYR 26 -11.174 25.895 -5.016 230 HE2 TYR 26 HE2 TYR 26 -15.196 25.403 -6.308 231 HH TYR 26 HH TYR 26 -13.456 26.006 -7.670 232 H ALA 27 H ALA 27 -15.151 26.356 1.088 233 HA ALA 27 HA ALA 27 -17.012 28.536 0.508 234 HB1 ALA 27 HB1 ALA 27 -16.783 26.722 2.955 235 HB2 ALA 27 HB2 ALA 27 -17.758 26.363 1.534 236 HB3 ALA 27 HB3 ALA 27 -18.164 27.738 2.556 237 H THR 28 H THR 28 -14.032 28.275 2.041 238 HA THR 28 HA THR 28 -14.549 30.263 4.122 239 HB THR 28 HB THR 28 -11.983 28.973 3.014 240 HG1 THR 28 HG1 THR 28 -13.038 28.813 5.607 241 HG21 THR 28 HG21 THR 28 -12.473 31.146 5.083 242 HG22 THR 28 HG22 THR 28 -11.072 30.931 4.038 243 HG23 THR 28 HG23 THR 28 -11.276 29.911 5.460 244 H ASN 29 H ASN 29 -13.192 30.205 0.876 245 HA ASN 29 HA ASN 29 -13.579 33.109 0.719 246 HB2 ASN 29 HB2 ASN 29 -11.093 33.375 -0.004 247 HB3 ASN 29 HB3 ASN 29 -11.386 33.158 1.719 248 HD21 ASN 29 HD21 ASN 29 -8.952 32.380 1.341 249 HD22 ASN 29 HD22 ASN 29 -8.761 30.715 1.076 250 H LYS 30 H LYS 30 -11.353 30.949 -0.988 251 HA LYS 30 HA LYS 30 -13.098 30.562 -3.259 252 HB2 LYS 30 HB2 LYS 30 -12.231 33.083 -3.282 253 HB3 LYS 30 HB3 LYS 30 -10.720 32.367 -3.825 254 HG2 LYS 30 HG2 LYS 30 -12.127 31.147 -5.602 255 HG3 LYS 30 HG3 LYS 30 -13.424 32.256 -5.174 256 HD2 LYS 30 HD2 LYS 30 -11.981 34.180 -5.690 257 HD3 LYS 30 HD3 LYS 30 -10.641 33.099 -6.052 258 HE2 LYS 30 HE2 LYS 30 -13.268 32.786 -7.487 259 HE3 LYS 30 HE3 LYS 30 -12.104 33.989 -8.026 260 HZ1 LYS 30 HZ1 LYS 30 -10.918 31.433 -7.524 261 HZ2 LYS 30 HZ2 LYS 30 -10.803 32.436 -8.890 262 HZ3 LYS 30 HZ3 LYS 30 -12.119 31.375 -8.725 263 H PHE 31 H PHE 31 -9.652 31.147 -2.631 264 HA PHE 31 HA PHE 31 -9.098 28.308 -3.104 265 HB2 PHE 31 HB2 PHE 31 -8.953 29.967 -5.304 266 HB3 PHE 31 HB3 PHE 31 -7.307 30.102 -4.680 267 HD1 PHE 31 HD1 PHE 31 -6.098 27.889 -4.095 268 HD2 PHE 31 HD2 PHE 31 -9.598 28.018 -6.502 269 HE1 PHE 31 HE1 PHE 31 -5.663 25.604 -4.834 270 HE2 PHE 31 HE2 PHE 31 -9.137 25.735 -7.270 271 HZ PHE 31 HZ PHE 31 -7.181 24.524 -6.401 272 H ILE 32 H ILE 32 -6.852 27.776 -2.599 273 HA ILE 32 HA ILE 32 -5.757 29.718 -0.610 274 HB ILE 32 HB ILE 32 -4.701 27.140 -0.088 275 HG12 ILE 32 HG12 ILE 32 -6.855 25.841 0.145 276 HG13 ILE 32 HG13 ILE 32 -7.659 27.066 -0.821 277 HG21 ILE 32 HG21 ILE 32 -5.418 28.855 1.571 278 HG22 ILE 32 HG22 ILE 32 -6.237 27.339 1.908 279 HG23 ILE 32 HG23 ILE 32 -7.094 28.646 1.095 280 HD11 ILE 32 HD11 ILE 32 -7.036 25.665 -2.549 281 HD12 ILE 32 HD12 ILE 32 -5.692 24.987 -1.644 282 HD13 ILE 32 HD13 ILE 32 -5.523 26.553 -2.418 283 H THR 33 H THR 33 -3.471 29.653 -0.247 284 HA THR 33 HA THR 33 -1.993 29.857 -2.718 285 HB THR 33 HB THR 33 -0.034 30.113 -0.890 286 HG1 THR 33 HG1 THR 33 -2.488 30.287 0.547 287 HG21 THR 33 HG21 THR 33 -0.692 32.421 -0.555 288 HG22 THR 33 HG22 THR 33 -2.407 32.019 -0.599 289 HG23 THR 33 HG23 THR 33 -1.461 32.012 -2.084 290 H LYS 34 H LYS 34 0.024 28.791 -3.154 291 HA LYS 34 HA LYS 34 -0.133 26.027 -3.364 292 HB2 LYS 34 HB2 LYS 34 2.202 27.952 -3.266 293 HB3 LYS 34 HB3 LYS 34 2.494 26.224 -3.435 294 HG2 LYS 34 HG2 LYS 34 2.366 27.199 -5.664 295 HG3 LYS 34 HG3 LYS 34 0.937 26.211 -5.414 296 HD2 LYS 34 HD2 LYS 34 0.778 29.104 -4.623 297 HD3 LYS 34 HD3 LYS 34 0.781 28.742 -6.341 298 HE2 LYS 34 HE2 LYS 34 -1.045 26.912 -5.096 299 HE3 LYS 34 HE3 LYS 34 -1.410 28.517 -4.488 300 HZ1 LYS 34 HZ1 LYS 34 -1.058 27.917 -7.364 301 HZ2 LYS 34 HZ2 LYS 34 -1.700 29.326 -6.664 302 HZ3 LYS 34 HZ3 LYS 34 -2.563 27.866 -6.579 303 H ASP 35 H ASP 35 1.157 27.900 -0.693 304 HA ASP 35 HA ASP 35 2.163 25.531 0.666 305 HB2 ASP 35 HB2 ASP 35 1.682 28.436 1.449 306 HB3 ASP 35 HB3 ASP 35 2.160 27.248 2.659 307 H LYS 36 H LYS 36 -0.805 27.358 0.577 308 HA LYS 36 HA LYS 36 -1.896 25.981 2.910 309 HB2 LYS 36 HB2 LYS 36 -2.948 28.002 0.914 310 HB3 LYS 36 HB3 LYS 36 -4.045 27.201 2.031 311 HG2 LYS 36 HG2 LYS 36 -2.643 27.955 3.943 312 HG3 LYS 36 HG3 LYS 36 -1.562 28.773 2.819 313 HD2 LYS 36 HD2 LYS 36 -3.647 30.041 1.993 314 HD3 LYS 36 HD3 LYS 36 -4.449 29.428 3.436 315 HE2 LYS 36 HE2 LYS 36 -3.338 31.736 3.637 316 HE3 LYS 36 HE3 LYS 36 -2.937 30.563 4.886 317 HZ1 LYS 36 HZ1 LYS 36 -1.112 31.923 3.575 318 HZ2 LYS 36 HZ2 LYS 36 -1.246 30.603 2.516 319 HZ3 LYS 36 HZ3 LYS 36 -0.834 30.346 4.143 320 H ARG 37 H ARG 37 -2.183 25.752 -0.611 321 HA ARG 37 HA ARG 37 -4.322 23.804 -0.439 322 HB2 ARG 37 HB2 ARG 37 -4.041 23.573 -2.843 323 HB3 ARG 37 HB3 ARG 37 -3.713 25.266 -2.501 324 HG2 ARG 37 HG2 ARG 37 -1.862 24.805 -3.763 325 HG3 ARG 37 HG3 ARG 37 -1.238 24.331 -2.193 326 HD2 ARG 37 HD2 ARG 37 -0.771 22.356 -3.276 327 HD3 ARG 37 HD3 ARG 37 -2.470 22.017 -2.949 328 HE ARG 37 HE ARG 37 -2.908 22.288 -5.259 329 HH11 ARG 37 HH11 ARG 37 0.158 21.673 -5.308 330 HH12 ARG 37 HH12 ARG 37 0.678 22.828 -6.489 331 HH21 ARG 37 HH21 ARG 37 -2.322 24.629 -6.342 332 HH22 ARG 37 HH22 ARG 37 -0.768 24.540 -7.093 333 H ARG 38 H ARG 38 -0.913 23.779 -0.169 334 HA ARG 38 HA ARG 38 -0.641 20.921 -0.695 335 HB2 ARG 38 HB2 ARG 38 1.242 22.614 -1.069 336 HB3 ARG 38 HB3 ARG 38 1.310 22.855 0.672 337 HG2 ARG 38 HG2 ARG 38 1.456 20.138 0.553 338 HG3 ARG 38 HG3 ARG 38 2.239 20.555 -0.957 339 HD2 ARG 38 HD2 ARG 38 3.009 21.498 1.817 340 HD3 ARG 38 HD3 ARG 38 3.962 20.486 0.733 341 HE ARG 38 HE ARG 38 3.949 23.334 0.692 342 HH11 ARG 38 HH11 ARG 38 5.521 21.000 -0.782 343 HH12 ARG 38 HH12 ARG 38 5.421 21.587 -2.408 344 HH21 ARG 38 HH21 ARG 38 2.967 23.962 -1.614 345 HH22 ARG 38 HH22 ARG 38 3.936 23.306 -2.893 346 H ARG 39 H ARG 39 -1.214 23.116 1.895 347 HA ARG 39 HA ARG 39 -0.512 21.444 4.084 348 HB2 ARG 39 HB2 ARG 39 -1.921 23.937 3.614 349 HB3 ARG 39 HB3 ARG 39 -2.888 22.956 4.698 350 HG2 ARG 39 HG2 ARG 39 -1.400 24.224 6.071 351 HG3 ARG 39 HG3 ARG 39 -0.768 22.587 6.045 352 HD2 ARG 39 HD2 ARG 39 0.640 23.427 4.004 353 HD3 ARG 39 HD3 ARG 39 0.274 25.032 4.636 354 HE ARG 39 HE ARG 39 1.782 24.610 6.397 355 HH11 ARG 39 HH11 ARG 39 1.055 21.829 4.560 356 HH12 ARG 39 HH12 ARG 39 1.965 20.740 5.552 357 HH21 ARG 39 HH21 ARG 39 2.834 23.240 7.846 358 HH22 ARG 39 HH22 ARG 39 3.002 21.560 7.459 359 H ILE 40 H ILE 40 -3.440 21.945 2.211 360 HA ILE 40 HA ILE 40 -5.114 20.134 3.559 361 HB ILE 40 HB ILE 40 -4.864 20.580 0.553 362 HG12 ILE 40 HG12 ILE 40 -6.696 22.075 2.445 363 HG13 ILE 40 HG13 ILE 40 -5.092 22.671 2.044 364 HG21 ILE 40 HG21 ILE 40 -7.221 19.931 0.518 365 HG22 ILE 40 HG22 ILE 40 -7.276 19.885 2.275 366 HG23 ILE 40 HG23 ILE 40 -6.332 18.690 1.394 367 HD11 ILE 40 HD11 ILE 40 -7.476 22.325 0.243 368 HD12 ILE 40 HD12 ILE 40 -5.863 22.266 -0.436 369 HD13 ILE 40 HD13 ILE 40 -6.403 23.711 0.395 370 H SER 41 H SER 41 -3.570 19.456 0.405 371 HA SER 41 HA SER 41 -3.687 16.713 0.384 372 HB2 SER 41 HB2 SER 41 -1.807 18.732 -0.655 373 HB3 SER 41 HB3 SER 41 -1.009 17.185 -0.347 374 HG SER 41 HG SER 41 -3.560 17.148 -1.452 375 H ALA 42 H ALA 42 -1.395 18.634 2.288 376 HA ALA 42 HA ALA 42 0.056 16.315 3.274 377 HB1 ALA 42 HB1 ALA 42 0.998 18.030 4.908 378 HB2 ALA 42 HB2 ALA 42 -0.112 19.215 4.231 379 HB3 ALA 42 HB3 ALA 42 1.150 18.517 3.223 380 H THR 43 H THR 43 -2.850 17.896 4.123 381 HA THR 43 HA THR 43 -2.820 16.759 6.869 382 HB THR 43 HB THR 43 -4.277 18.962 5.459 383 HG1 THR 43 HG1 THR 43 -3.042 19.334 7.244 384 HG21 THR 43 HG21 THR 43 -6.258 17.475 5.737 385 HG22 THR 43 HG22 THR 43 -6.285 18.652 7.047 386 HG23 THR 43 HG23 THR 43 -5.723 17.011 7.349 387 H THR 44 H THR 44 -4.208 16.540 3.744 388 HA THR 44 HA THR 44 -6.053 14.392 4.515 389 HB THR 44 HB THR 44 -6.415 14.592 1.883 390 HG1 THR 44 HG1 THR 44 -4.349 15.562 1.685 391 HG21 THR 44 HG21 THR 44 -7.852 16.445 2.246 392 HG22 THR 44 HG22 THR 44 -6.639 17.304 3.189 393 HG23 THR 44 HG23 THR 44 -7.567 16.001 3.924 394 H ASN 45 H ASN 45 -2.898 14.884 3.354 395 HA ASN 45 HA ASN 45 -1.139 13.441 2.900 396 HB2 ASN 45 HB2 ASN 45 -2.400 12.113 4.765 397 HB3 ASN 45 HB3 ASN 45 -2.980 11.091 3.456 398 HD21 ASN 45 HD21 ASN 45 -1.639 9.372 2.955 399 HD22 ASN 45 HD22 ASN 45 0.025 9.300 3.285 400 H LEU 46 H LEU 46 -1.530 14.181 0.580 401 HA LEU 46 HA LEU 46 -1.823 11.675 -1.028 402 HB2 LEU 46 HB2 LEU 46 -3.280 13.079 -2.705 403 HB3 LEU 46 HB3 LEU 46 -4.061 12.379 -1.297 404 HG LEU 46 HG LEU 46 -2.902 15.026 -0.782 405 HD11 LEU 46 HD11 LEU 46 -3.530 15.598 -3.010 406 HD12 LEU 46 HD12 LEU 46 -4.898 16.110 -2.025 407 HD13 LEU 46 HD13 LEU 46 -4.981 14.607 -2.938 408 HD21 LEU 46 HD21 LEU 46 -5.328 15.314 0.005 409 HD22 LEU 46 HD22 LEU 46 -4.380 14.096 0.837 410 HD23 LEU 46 HD23 LEU 46 -5.554 13.627 -0.389 411 H SER 47 H SER 47 -2.132 14.721 -2.658 412 HA SER 47 HA SER 47 0.764 14.633 -3.360 413 HB2 SER 47 HB2 SER 47 -0.634 13.623 -5.199 414 HB3 SER 47 HB3 SER 47 -1.547 15.138 -5.293 415 HG SER 47 HG SER 47 0.211 15.178 -6.736 416 H GLU 48 H GLU 48 -0.786 16.736 -5.270 417 HA GLU 48 HA GLU 48 -1.030 18.989 -3.463 418 HB2 GLU 48 HB2 GLU 48 1.358 18.675 -5.345 419 HB3 GLU 48 HB3 GLU 48 0.845 20.236 -4.730 420 HG2 GLU 48 HG2 GLU 48 1.018 19.125 -2.371 421 HG3 GLU 48 HG3 GLU 48 1.981 17.894 -3.198 422 H ARG 49 H ARG 49 -0.002 18.398 -6.802 423 HA ARG 49 HA ARG 49 -1.663 20.344 -7.959 424 HB2 ARG 49 HB2 ARG 49 0.060 18.185 -8.853 425 HB3 ARG 49 HB3 ARG 49 -1.454 18.092 -9.747 426 HG2 ARG 49 HG2 ARG 49 -1.236 20.341 -10.544 427 HG3 ARG 49 HG3 ARG 49 0.057 20.695 -9.403 428 HD2 ARG 49 HD2 ARG 49 1.323 20.276 -11.306 429 HD3 ARG 49 HD3 ARG 49 1.231 18.642 -10.654 430 HE ARG 49 HE ARG 49 -0.735 18.313 -12.237 431 HH11 ARG 49 HH11 ARG 49 -0.997 21.097 -13.170 432 HH12 ARG 49 HH12 ARG 49 -0.112 21.100 -14.658 433 HH21 ARG 49 HH21 ARG 49 1.563 18.114 -13.904 434 HH22 ARG 49 HH22 ARG 49 1.374 19.366 -15.086 435 H GLN 50 H GLN 50 -2.188 17.199 -6.688 436 HA GLN 50 HA GLN 50 -4.661 16.568 -7.970 437 HB2 GLN 50 HB2 GLN 50 -3.309 14.912 -6.664 438 HB3 GLN 50 HB3 GLN 50 -3.610 15.828 -5.191 439 HG2 GLN 50 HG2 GLN 50 -5.174 13.931 -5.343 440 HG3 GLN 50 HG3 GLN 50 -6.052 15.452 -5.470 441 HE21 GLN 50 HE21 GLN 50 -4.093 13.879 -8.025 442 HE22 GLN 50 HE22 GLN 50 -5.388 13.650 -9.099 443 H VAL 51 H VAL 51 -3.819 18.313 -4.989 444 HA VAL 51 HA VAL 51 -6.511 18.700 -4.126 445 HB VAL 51 HB VAL 51 -4.236 20.618 -3.703 446 HG11 VAL 51 HG11 VAL 51 -6.958 20.321 -2.707 447 HG12 VAL 51 HG12 VAL 51 -5.833 21.655 -2.490 448 HG13 VAL 51 HG13 VAL 51 -5.792 20.286 -1.389 449 HG21 VAL 51 HG21 VAL 51 -3.432 19.255 -1.951 450 HG22 VAL 51 HG22 VAL 51 -3.786 18.097 -3.222 451 HG23 VAL 51 HG23 VAL 51 -4.911 18.308 -1.883 452 H THR 52 H THR 52 -4.255 20.631 -5.865 453 HA THR 52 HA THR 52 -5.818 22.848 -6.422 454 HB THR 52 HB THR 52 -4.316 21.781 -8.742 455 HG1 THR 52 HG1 THR 52 -2.544 22.235 -6.814 456 HG21 THR 52 HG21 THR 52 -4.535 24.244 -8.338 457 HG22 THR 52 HG22 THR 52 -2.845 23.780 -8.176 458 HG23 THR 52 HG23 THR 52 -3.830 24.046 -6.741 459 H ILE 53 H ILE 53 -5.616 19.723 -7.980 460 HA ILE 53 HA ILE 53 -7.616 20.302 -9.976 461 HB ILE 53 HB ILE 53 -5.898 18.026 -9.073 462 HG12 ILE 53 HG12 ILE 53 -5.296 19.219 -11.064 463 HG13 ILE 53 HG13 ILE 53 -5.826 17.619 -11.560 464 HG21 ILE 53 HG21 ILE 53 -7.442 16.438 -10.523 465 HG22 ILE 53 HG22 ILE 53 -8.718 17.579 -10.129 466 HG23 ILE 53 HG23 ILE 53 -7.878 16.725 -8.843 467 HD11 ILE 53 HD11 ILE 53 -8.194 19.009 -11.646 468 HD12 ILE 53 HD12 ILE 53 -7.145 18.770 -13.035 469 HD13 ILE 53 HD13 ILE 53 -7.048 20.260 -12.103 470 H TRP 54 H TRP 54 -7.511 18.932 -6.780 471 HA TRP 54 HA TRP 54 -10.054 17.720 -6.700 472 HB2 TRP 54 HB2 TRP 54 -8.059 17.918 -4.960 473 HB3 TRP 54 HB3 TRP 54 -8.952 19.294 -4.356 474 HD1 TRP 54 HD1 TRP 54 -11.839 17.772 -5.032 475 HE1 TRP 54 HE1 TRP 54 -12.426 15.798 -3.537 476 HE3 TRP 54 HE3 TRP 54 -7.411 17.184 -2.950 477 HZ2 TRP 54 HZ2 TRP 54 -10.962 14.061 -1.547 478 HZ3 TRP 54 HZ3 TRP 54 -6.935 15.394 -1.369 479 HH2 TRP 54 HH2 TRP 54 -8.676 13.858 -0.655 480 H PHE 55 H PHE 55 -8.869 20.983 -6.070 481 HA PHE 55 HA PHE 55 -11.464 21.996 -5.396 482 HB2 PHE 55 HB2 PHE 55 -8.873 23.175 -6.400 483 HB3 PHE 55 HB3 PHE 55 -10.293 24.205 -6.256 484 HD1 PHE 55 HD1 PHE 55 -11.665 23.549 -3.910 485 HD2 PHE 55 HD2 PHE 55 -7.461 23.311 -4.551 486 HE1 PHE 55 HE1 PHE 55 -11.287 23.653 -1.498 487 HE2 PHE 55 HE2 PHE 55 -7.101 23.404 -2.133 488 HZ PHE 55 HZ PHE 55 -9.003 23.605 -0.611 489 H GLN 56 H GLN 56 -9.755 21.625 -8.434 490 HA GLN 56 HA GLN 56 -11.776 22.996 -10.001 491 HB2 GLN 56 HB2 GLN 56 -9.273 22.411 -10.543 492 HB3 GLN 56 HB3 GLN 56 -9.906 20.868 -11.075 493 HG2 GLN 56 HG2 GLN 56 -11.624 22.378 -12.402 494 HG3 GLN 56 HG3 GLN 56 -10.379 23.610 -12.215 495 HE21 GLN 56 HE21 GLN 56 -10.442 20.085 -13.020 496 HE22 GLN 56 HE22 GLN 56 -9.364 20.214 -14.324 497 H ASN 57 H ASN 57 -11.285 19.770 -8.825 498 HA ASN 57 HA ASN 57 -13.198 18.568 -10.656 499 HB2 ASN 57 HB2 ASN 57 -11.346 17.667 -8.573 500 HB3 ASN 57 HB3 ASN 57 -12.943 16.991 -8.267 501 HD21 ASN 57 HD21 ASN 57 -11.898 17.779 -11.551 502 HD22 ASN 57 HD22 ASN 57 -11.750 16.173 -12.084 503 H ARG 58 H ARG 58 -13.091 20.371 -7.865 504 HA ARG 58 HA ARG 58 -15.741 19.577 -6.915 505 HB2 ARG 58 HB2 ARG 58 -13.418 21.065 -5.933 506 HB3 ARG 58 HB3 ARG 58 -14.865 22.020 -5.730 507 HG2 ARG 58 HG2 ARG 58 -14.733 19.117 -4.898 508 HG3 ARG 58 HG3 ARG 58 -14.279 20.420 -3.805 509 HD2 ARG 58 HD2 ARG 58 -16.960 20.276 -5.223 510 HD3 ARG 58 HD3 ARG 58 -16.689 19.690 -3.582 511 HE ARG 58 HE ARG 58 -15.783 22.420 -3.865 512 HH11 ARG 58 HH11 ARG 58 -17.297 21.178 -1.567 513 HH12 ARG 58 HH12 ARG 58 -18.817 22.007 -1.656 514 HH21 ARG 58 HH21 ARG 58 -18.227 23.155 -4.914 515 HH22 ARG 58 HH22 ARG 58 -19.357 23.155 -3.601 516 H ARG 59 H ARG 59 -14.197 21.711 -9.088 517 HA ARG 59 HA ARG 59 -16.486 23.612 -9.144 518 HB2 ARG 59 HB2 ARG 59 -14.220 24.552 -9.468 519 HB3 ARG 59 HB3 ARG 59 -13.882 23.392 -10.748 520 HG2 ARG 59 HG2 ARG 59 -15.447 24.411 -12.230 521 HG3 ARG 59 HG3 ARG 59 -16.197 25.331 -10.930 522 HD2 ARG 59 HD2 ARG 59 -13.289 25.798 -11.281 523 HD3 ARG 59 HD3 ARG 59 -14.303 26.363 -12.606 524 HE ARG 59 HE ARG 59 -15.027 28.084 -11.179 525 HH11 ARG 59 HH11 ARG 59 -12.704 27.743 -9.406 526 HH12 ARG 59 HH12 ARG 59 -13.426 27.435 -7.861 527 HH21 ARG 59 HH21 ARG 59 -16.546 26.648 -9.253 528 HH22 ARG 59 HH22 ARG 59 -15.658 26.798 -7.772 529 H VAL 60 H VAL 60 -15.346 20.765 -10.493 530 HA VAL 60 HA VAL 60 -16.930 20.995 -12.960 531 HB VAL 60 HB VAL 60 -14.573 19.633 -12.166 532 HG11 VAL 60 HG11 VAL 60 -15.033 17.264 -12.352 533 HG12 VAL 60 HG12 VAL 60 -16.724 17.563 -12.742 534 HG13 VAL 60 HG13 VAL 60 -16.121 17.904 -11.125 535 HG21 VAL 60 HG21 VAL 60 -14.518 18.877 -14.453 536 HG22 VAL 60 HG22 VAL 60 -15.364 20.422 -14.468 537 HG23 VAL 60 HG23 VAL 60 -16.274 18.917 -14.580 538 H LYS 61 H LYS 61 -17.044 19.718 -9.774 539 HA LYS 61 HA LYS 61 -19.240 17.866 -10.270 540 HB2 LYS 61 HB2 LYS 61 -17.397 17.817 -8.368 541 HB3 LYS 61 HB3 LYS 61 -18.418 19.000 -7.559 542 HG2 LYS 61 HG2 LYS 61 -19.762 16.549 -8.609 543 HG3 LYS 61 HG3 LYS 61 -18.738 16.354 -7.192 544 HD2 LYS 61 HD2 LYS 61 -20.682 18.635 -7.259 545 HD3 LYS 61 HD3 LYS 61 -21.289 17.020 -6.918 546 HE2 LYS 61 HE2 LYS 61 -19.059 18.438 -5.421 547 HE3 LYS 61 HE3 LYS 61 -20.690 18.170 -4.823 548 HZ1 LYS 61 HZ1 LYS 61 -20.275 15.759 -5.070 549 HZ2 LYS 61 HZ2 LYS 61 -19.281 16.513 -3.917 550 HZ3 LYS 61 HZ3 LYS 61 -18.656 16.108 -5.444 551 H GLU 62 H GLU 62 -18.783 21.168 -9.191 552 HA GLU 62 HA GLU 62 -21.347 21.657 -8.083 553 HB2 GLU 62 HB2 GLU 62 -20.706 23.938 -8.226 554 HB3 GLU 62 HB3 GLU 62 -19.144 23.140 -8.303 555 HG2 GLU 62 HG2 GLU 62 -19.011 24.603 -10.121 556 HG3 GLU 62 HG3 GLU 62 -19.559 23.121 -10.894 557 H LYS 63 H LYS 63 -20.216 21.297 -11.299 558 HA LYS 63 HA LYS 63 -22.409 22.576 -12.621 559 HB2 LYS 63 HB2 LYS 63 -20.582 20.312 -13.552 560 HB3 LYS 63 HB3 LYS 63 -21.626 21.254 -14.609 561 HG2 LYS 63 HG2 LYS 63 -20.105 23.077 -13.021 562 HG3 LYS 63 HG3 LYS 63 -18.990 21.899 -13.696 563 HD2 LYS 63 HD2 LYS 63 -21.097 23.254 -15.397 564 HD3 LYS 63 HD3 LYS 63 -19.504 23.965 -15.152 565 HE2 LYS 63 HE2 LYS 63 -18.536 22.503 -16.584 566 HE3 LYS 63 HE3 LYS 63 -19.326 21.129 -15.823 567 HZ1 LYS 63 HZ1 LYS 63 -21.364 21.761 -17.058 568 HZ2 LYS 63 HZ2 LYS 63 -20.077 21.263 -18.047 569 HZ3 LYS 63 HZ3 LYS 63 -20.448 22.914 -17.903 570 H LYS 64 H LYS 64 -21.778 19.281 -11.581 571 HA LYS 64 HA LYS 64 -24.151 18.173 -12.768 572 HB2 LYS 64 HB2 LYS 64 -22.669 17.224 -10.267 573 HB3 LYS 64 HB3 LYS 64 -23.680 16.241 -11.317 574 HG2 LYS 64 HG2 LYS 64 -21.230 17.694 -12.342 575 HG3 LYS 64 HG3 LYS 64 -21.142 16.063 -11.689 576 HD2 LYS 64 HD2 LYS 64 -23.193 15.685 -13.378 577 HD3 LYS 64 HD3 LYS 64 -22.424 17.029 -14.214 578 HE2 LYS 64 HE2 LYS 64 -20.227 15.717 -13.972 579 HE3 LYS 64 HE3 LYS 64 -21.221 14.341 -13.511 580 HZ1 LYS 64 HZ1 LYS 64 -22.460 14.714 -15.635 581 HZ2 LYS 64 HZ2 LYS 64 -20.857 14.182 -15.814 582 HZ3 LYS 64 HZ3 LYS 64 -21.245 15.814 -16.079 583 H VAL 65 H VAL 65 -24.000 20.585 -10.671 584 HA VAL 65 HA VAL 65 -26.207 19.592 -8.907 585 HB VAL 65 HB VAL 65 -24.778 22.284 -8.774 586 HG11 VAL 65 HG11 VAL 65 -25.529 21.225 -6.236 587 HG12 VAL 65 HG12 VAL 65 -26.908 21.013 -7.309 588 HG13 VAL 65 HG13 VAL 65 -26.223 22.615 -7.066 589 HG21 VAL 65 HG21 VAL 65 -23.275 21.241 -7.105 590 HG22 VAL 65 HG22 VAL 65 -23.110 20.442 -8.665 591 HG23 VAL 65 HG23 VAL 65 -24.045 19.680 -7.381 592 H ILE 66 H ILE 66 -27.302 19.710 -11.203 593 HA ILE 66 HA ILE 66 -28.795 22.299 -11.249 594 HB ILE 66 HB ILE 66 -27.020 21.850 -13.158 595 HG12 ILE 66 HG12 ILE 66 -29.193 23.436 -13.074 596 HG13 ILE 66 HG13 ILE 66 -28.182 23.302 -14.500 597 HG21 ILE 66 HG21 ILE 66 -29.333 20.021 -14.051 598 HG22 ILE 66 HG22 ILE 66 -27.730 19.486 -13.584 599 HG23 ILE 66 HG23 ILE 66 -27.942 20.451 -15.038 600 HD11 ILE 66 HD11 ILE 66 -29.719 21.638 -15.468 601 HD12 ILE 66 HD12 ILE 66 -30.601 23.098 -15.048 602 HD13 ILE 66 HD13 ILE 66 -30.709 21.685 -14.015 603 H ASN 67 H ASN 67 -28.742 18.845 -11.669 604 HA ASN 67 HA ASN 67 -31.528 18.634 -12.472 605 HB2 ASN 67 HB2 ASN 67 -29.290 16.922 -12.374 606 HB3 ASN 67 HB3 ASN 67 -30.383 16.257 -11.161 607 HD21 ASN 67 HD21 ASN 67 -29.643 15.404 -14.058 608 HD22 ASN 67 HD22 ASN 67 -31.152 15.161 -14.796 609 H LYS 68 H LYS 68 -30.331 19.739 -9.702 610 HA LYS 68 HA LYS 68 -32.718 18.843 -8.197 611 HB2 LYS 68 HB2 LYS 68 -30.629 17.346 -7.694 612 HB3 LYS 68 HB3 LYS 68 -29.958 18.764 -6.899 613 HG2 LYS 68 HG2 LYS 68 -31.132 17.300 -5.273 614 HG3 LYS 68 HG3 LYS 68 -31.924 18.864 -5.398 615 HD2 LYS 68 HD2 LYS 68 -33.776 17.997 -6.481 616 HD3 LYS 68 HD3 LYS 68 -32.853 16.704 -7.243 617 HE2 LYS 68 HE2 LYS 68 -34.341 15.798 -5.486 618 HE3 LYS 68 HE3 LYS 68 -32.652 15.560 -5.055 619 HZ1 LYS 68 HZ1 LYS 68 -32.902 16.796 -3.253 620 HZ2 LYS 68 HZ2 LYS 68 -34.575 16.795 -3.542 621 HZ3 LYS 68 HZ3 LYS 68 -33.613 18.069 -4.123 622 H LEU 69 H LEU 69 -32.401 21.291 -9.297 623 HA LEU 69 HA LEU 69 -31.474 23.078 -7.094 624 HB2 LEU 69 HB2 LEU 69 -31.272 23.173 -9.944 625 HB3 LEU 69 HB3 LEU 69 -32.413 24.437 -9.514 626 HG LEU 69 HG LEU 69 -30.018 25.216 -9.542 627 HD11 LEU 69 HD11 LEU 69 -30.161 26.425 -7.419 628 HD12 LEU 69 HD12 LEU 69 -31.321 25.254 -6.800 629 HD13 LEU 69 HD13 LEU 69 -31.765 26.313 -8.134 630 HD21 LEU 69 HD21 LEU 69 -29.385 24.017 -6.947 631 HD22 LEU 69 HD22 LEU 69 -28.395 24.120 -8.400 632 HD23 LEU 69 HD23 LEU 69 -29.556 22.810 -8.217 633 H LYS 70 H LYS 70 -33.136 25.267 -8.122 634 HA LYS 70 HA LYS 70 -35.386 24.951 -6.399 635 HB2 LYS 70 HB2 LYS 70 -34.212 27.038 -7.835 636 HB3 LYS 70 HB3 LYS 70 -35.757 26.843 -8.653 637 HG2 LYS 70 HG2 LYS 70 -36.797 26.816 -6.282 638 HG3 LYS 70 HG3 LYS 70 -35.247 27.450 -5.734 639 HD2 LYS 70 HD2 LYS 70 -36.674 29.350 -6.177 640 HD3 LYS 70 HD3 LYS 70 -35.489 29.282 -7.475 641 HE2 LYS 70 HE2 LYS 70 -37.131 29.052 -9.008 642 HE3 LYS 70 HE3 LYS 70 -37.749 27.631 -8.175 643 HZ1 LYS 70 HZ1 LYS 70 -38.774 29.335 -6.582 644 HZ2 LYS 70 HZ2 LYS 70 -39.503 29.092 -8.096 645 HZ3 LYS 70 HZ3 LYS 70 -38.517 30.450 -7.837 646 H THR 71 H THR 71 -34.830 23.418 -9.252 647 HA THR 71 HA THR 71 -37.636 23.512 -10.189 648 HB THR 71 HB THR 71 -35.265 21.880 -11.294 649 HG1 THR 71 HG1 THR 71 -34.839 23.687 -12.417 650 HG21 THR 71 HG21 THR 71 -37.984 22.817 -12.373 651 HG22 THR 71 HG22 THR 71 -37.395 21.159 -12.306 652 HG23 THR 71 HG23 THR 71 -36.684 22.302 -13.441 653 H THR 72 H THR 72 -36.141 21.973 -7.780 654 HA THR 72 HA THR 72 -36.393 19.876 -6.722 655 HB THR 72 HB THR 72 -38.807 19.364 -6.367 656 HG1 THR 72 HG1 THR 72 -40.087 20.849 -7.946 657 HG21 THR 72 HG21 THR 72 -39.714 21.632 -5.911 658 HG22 THR 72 HG22 THR 72 -38.555 22.357 -7.019 659 HG23 THR 72 HG23 THR 72 -38.004 21.660 -5.500 660 H SER 73 H SER 73 -39.033 18.702 -8.403 661 HA SER 73 HA SER 73 -39.304 16.896 -9.862 662 HB2 SER 73 HB2 SER 73 -37.696 18.688 -11.190 663 HB3 SER 73 HB3 SER 73 -36.611 17.285 -11.125 664 HG SER 73 HG SER 73 -38.460 16.028 -11.819 Start of MODEL 9 1 HA MET 1 HA MET 1 -20.138 -5.563 -10.345 2 H SER 2 H SER 2 -20.804 -7.801 -8.739 3 HA SER 2 HA SER 2 -20.423 -10.111 -8.542 4 HB2 SER 2 HB2 SER 2 -19.064 -9.878 -11.263 5 HB3 SER 2 HB3 SER 2 -20.198 -11.121 -10.698 6 HG SER 2 HG SER 2 -21.253 -8.651 -10.443 7 H HIS 3 H HIS 3 -18.212 -8.261 -7.711 8 HA HIS 3 HA HIS 3 -15.892 -10.121 -8.085 9 HB2 HIS 3 HB2 HIS 3 -14.518 -8.121 -7.404 10 HB3 HIS 3 HB3 HIS 3 -15.499 -7.775 -8.827 11 HD1 HIS 3 HD1 HIS 3 -17.827 -7.750 -6.363 12 HD2 HIS 3 HD2 HIS 3 -14.879 -5.114 -7.258 13 HE1 HIS 3 HE1 HIS 3 -18.518 -5.677 -5.320 14 H MET 4 H MET 4 -14.313 -9.493 -6.027 15 HA MET 4 HA MET 4 -15.530 -9.202 -3.474 16 HB2 MET 4 HB2 MET 4 -15.195 -11.768 -2.873 17 HB3 MET 4 HB3 MET 4 -16.672 -11.274 -3.690 18 HG2 MET 4 HG2 MET 4 -14.434 -11.845 -5.503 19 HG3 MET 4 HG3 MET 4 -14.927 -13.227 -4.561 20 HE1 MET 4 HE1 MET 4 -16.362 -14.926 -5.524 21 HE2 MET 4 HE2 MET 4 -15.158 -14.466 -6.728 22 HE3 MET 4 HE3 MET 4 -16.826 -14.757 -7.217 23 H LEU 5 H LEU 5 -13.587 -11.928 -3.262 24 HA LEU 5 HA LEU 5 -11.460 -12.134 -2.261 25 HB2 LEU 5 HB2 LEU 5 -10.759 -10.167 -4.496 26 HB3 LEU 5 HB3 LEU 5 -9.693 -11.371 -3.780 27 HG LEU 5 HG LEU 5 -12.265 -12.069 -5.231 28 HD11 LEU 5 HD11 LEU 5 -10.723 -12.787 -7.077 29 HD12 LEU 5 HD12 LEU 5 -9.393 -12.021 -6.213 30 HD13 LEU 5 HD13 LEU 5 -10.726 -11.044 -6.823 31 HD21 LEU 5 HD21 LEU 5 -9.930 -13.630 -4.105 32 HD22 LEU 5 HD22 LEU 5 -10.988 -14.313 -5.335 33 HD23 LEU 5 HD23 LEU 5 -11.646 -13.846 -3.770 34 H GLU 6 H GLU 6 -9.695 -9.576 -3.045 35 HA GLU 6 HA GLU 6 -10.657 -7.517 -1.286 36 HB2 GLU 6 HB2 GLU 6 -9.112 -7.860 0.604 37 HB3 GLU 6 HB3 GLU 6 -10.047 -9.333 0.389 38 HG2 GLU 6 HG2 GLU 6 -7.934 -10.268 0.490 39 HG3 GLU 6 HG3 GLU 6 -7.997 -9.936 -1.239 40 H GLY 7 H GLY 7 -9.668 -5.695 -1.847 41 HA2 GLY 7 HA2 GLY 7 -6.901 -5.323 -2.243 42 HA3 GLY 7 HA3 GLY 7 -7.588 -5.686 -3.823 43 H ARG 8 H ARG 8 -9.917 -4.400 -3.920 44 HA ARG 8 HA ARG 8 -9.550 -1.652 -2.903 45 HB2 ARG 8 HB2 ARG 8 -9.592 -2.402 -5.864 46 HB3 ARG 8 HB3 ARG 8 -9.849 -0.759 -5.285 47 HG2 ARG 8 HG2 ARG 8 -7.633 -0.877 -4.115 48 HG3 ARG 8 HG3 ARG 8 -7.373 -2.461 -4.838 49 HD2 ARG 8 HD2 ARG 8 -7.079 -1.590 -6.967 50 HD3 ARG 8 HD3 ARG 8 -8.129 -0.211 -6.659 51 HE ARG 8 HE ARG 8 -5.264 -0.383 -5.981 52 HH11 ARG 8 HH11 ARG 8 -8.331 1.080 -5.546 53 HH12 ARG 8 HH12 ARG 8 -7.699 2.633 -5.112 54 HH21 ARG 8 HH21 ARG 8 -4.369 1.608 -5.503 55 HH22 ARG 8 HH22 ARG 8 -5.395 2.941 -5.090 56 H LYS 9 H LYS 9 -11.394 -0.271 -3.360 57 HA LYS 9 HA LYS 9 -13.839 -1.305 -4.481 58 HB2 LYS 9 HB2 LYS 9 -13.664 -2.652 -2.316 59 HB3 LYS 9 HB3 LYS 9 -13.718 -1.135 -1.423 60 HG2 LYS 9 HG2 LYS 9 -15.898 -0.640 -2.681 61 HG3 LYS 9 HG3 LYS 9 -15.868 -2.318 -3.201 62 HD2 LYS 9 HD2 LYS 9 -17.215 -2.233 -1.203 63 HD3 LYS 9 HD3 LYS 9 -15.683 -2.973 -0.751 64 HE2 LYS 9 HE2 LYS 9 -16.691 -1.015 0.717 65 HE3 LYS 9 HE3 LYS 9 -14.960 -1.086 0.414 66 HZ1 LYS 9 HZ1 LYS 9 -15.868 1.124 0.040 67 HZ2 LYS 9 HZ2 LYS 9 -16.904 0.509 -1.158 68 HZ3 LYS 9 HZ3 LYS 9 -15.221 0.470 -1.388 69 H LYS 10 H LYS 10 -12.247 0.922 -2.293 70 HA LYS 10 HA LYS 10 -13.380 3.239 -3.556 71 HB2 LYS 10 HB2 LYS 10 -15.396 2.390 -2.240 72 HB3 LYS 10 HB3 LYS 10 -14.460 2.579 -0.764 73 HG2 LYS 10 HG2 LYS 10 -14.623 4.866 -0.800 74 HG3 LYS 10 HG3 LYS 10 -14.517 4.947 -2.554 75 HD2 LYS 10 HD2 LYS 10 -16.854 4.098 -2.715 76 HD3 LYS 10 HD3 LYS 10 -16.953 4.084 -0.956 77 HE2 LYS 10 HE2 LYS 10 -16.146 6.602 -2.403 78 HE3 LYS 10 HE3 LYS 10 -17.848 6.177 -2.258 79 HZ1 LYS 10 HZ1 LYS 10 -17.824 6.982 -0.222 80 HZ2 LYS 10 HZ2 LYS 10 -16.169 7.339 -0.342 81 HZ3 LYS 10 HZ3 LYS 10 -16.670 5.825 0.240 82 H ARG 11 H ARG 11 -10.886 3.077 -3.281 83 HA ARG 11 HA ARG 11 -10.013 4.091 -0.625 84 HB2 ARG 11 HB2 ARG 11 -8.772 2.234 -1.910 85 HB3 ARG 11 HB3 ARG 11 -8.301 3.463 -3.077 86 HG2 ARG 11 HG2 ARG 11 -7.727 4.571 -0.542 87 HG3 ARG 11 HG3 ARG 11 -7.170 2.903 -0.461 88 HD2 ARG 11 HD2 ARG 11 -5.932 3.245 -2.608 89 HD3 ARG 11 HD3 ARG 11 -6.431 4.935 -2.600 90 HE ARG 11 HE ARG 11 -5.220 4.585 -0.127 91 HH11 ARG 11 HH11 ARG 11 -3.888 2.575 -2.197 92 HH12 ARG 11 HH12 ARG 11 -2.429 3.449 -2.527 93 HH21 ARG 11 HH21 ARG 11 -3.614 6.385 -1.024 94 HH22 ARG 11 HH22 ARG 11 -2.272 5.664 -1.847 95 H VAL 12 H VAL 12 -11.594 5.829 -2.311 96 HA VAL 12 HA VAL 12 -9.601 7.750 -3.362 97 HB VAL 12 HB VAL 12 -12.578 8.313 -3.309 98 HG11 VAL 12 HG11 VAL 12 -12.009 9.264 -5.544 99 HG12 VAL 12 HG12 VAL 12 -10.336 8.774 -5.294 100 HG13 VAL 12 HG13 VAL 12 -11.064 9.984 -4.244 101 HG21 VAL 12 HG21 VAL 12 -11.242 6.472 -5.318 102 HG22 VAL 12 HG22 VAL 12 -12.942 6.922 -5.270 103 HG23 VAL 12 HG23 VAL 12 -12.267 5.898 -4.006 104 HA PRO 13 HA PRO 13 -11.635 10.196 0.178 105 HB2 PRO 13 HB2 PRO 13 -12.736 8.473 2.175 106 HB3 PRO 13 HB3 PRO 13 -13.648 9.468 1.041 107 HG2 PRO 13 HG2 PRO 13 -13.418 6.576 1.069 108 HG3 PRO 13 HG3 PRO 13 -14.329 7.567 -0.071 109 HD2 PRO 13 HD2 PRO 13 -11.740 6.240 -0.454 110 HD3 PRO 13 HD3 PRO 13 -12.782 6.996 -1.665 111 H TYR 14 H TYR 14 -11.577 9.618 2.936 112 HA TYR 14 HA TYR 14 -9.337 8.067 3.767 113 HB2 TYR 14 HB2 TYR 14 -8.428 10.220 2.360 114 HB3 TYR 14 HB3 TYR 14 -8.608 10.981 3.937 115 HD1 TYR 14 HD1 TYR 14 -8.000 8.602 5.688 116 HD2 TYR 14 HD2 TYR 14 -6.060 10.012 2.184 117 HE1 TYR 14 HE1 TYR 14 -5.897 7.618 6.463 118 HE2 TYR 14 HE2 TYR 14 -3.955 9.017 2.951 119 HH TYR 14 HH TYR 14 -3.372 8.109 6.037 120 H THR 15 H THR 15 -10.493 11.362 4.496 121 HA THR 15 HA THR 15 -11.670 10.337 7.007 122 HB THR 15 HB THR 15 -10.386 12.016 8.380 123 HG1 THR 15 HG1 THR 15 -9.448 12.572 5.761 124 HG21 THR 15 HG21 THR 15 -8.101 11.092 8.120 125 HG22 THR 15 HG22 THR 15 -8.462 10.570 6.479 126 HG23 THR 15 HG23 THR 15 -9.228 9.767 7.844 127 H LYS 16 H LYS 16 -12.199 12.707 8.218 128 HA LYS 16 HA LYS 16 -14.150 13.849 6.332 129 HB2 LYS 16 HB2 LYS 16 -14.631 13.132 8.813 130 HB3 LYS 16 HB3 LYS 16 -13.808 14.623 9.256 131 HG2 LYS 16 HG2 LYS 16 -16.121 15.209 9.104 132 HG3 LYS 16 HG3 LYS 16 -15.394 15.807 7.616 133 HD2 LYS 16 HD2 LYS 16 -16.327 14.085 6.316 134 HD3 LYS 16 HD3 LYS 16 -16.552 13.026 7.705 135 HE2 LYS 16 HE2 LYS 16 -18.724 13.914 7.036 136 HE3 LYS 16 HE3 LYS 16 -18.273 14.629 8.580 137 HZ1 LYS 16 HZ1 LYS 16 -17.744 15.936 5.976 138 HZ2 LYS 16 HZ2 LYS 16 -17.635 16.623 7.525 139 HZ3 LYS 16 HZ3 LYS 16 -19.152 16.208 6.885 140 H VAL 17 H VAL 17 -11.349 14.744 8.245 141 HA VAL 17 HA VAL 17 -11.479 17.552 7.861 142 HB VAL 17 HB VAL 17 -8.920 17.356 8.133 143 HG11 VAL 17 HG11 VAL 17 -10.781 15.965 10.074 144 HG12 VAL 17 HG12 VAL 17 -10.241 17.641 10.126 145 HG13 VAL 17 HG13 VAL 17 -9.104 16.337 10.457 146 HG21 VAL 17 HG21 VAL 17 -8.016 15.132 8.619 147 HG22 VAL 17 HG22 VAL 17 -8.762 15.122 7.024 148 HG23 VAL 17 HG23 VAL 17 -9.607 14.412 8.396 149 H GLN 18 H GLN 18 -10.847 14.935 5.835 150 HA GLN 18 HA GLN 18 -9.285 16.302 3.831 151 HB2 GLN 18 HB2 GLN 18 -9.411 13.794 4.165 152 HB3 GLN 18 HB3 GLN 18 -11.080 13.837 3.608 153 HG2 GLN 18 HG2 GLN 18 -10.158 15.017 1.511 154 HG3 GLN 18 HG3 GLN 18 -8.579 14.465 2.052 155 HE21 GLN 18 HE21 GLN 18 -8.005 12.508 1.153 156 HE22 GLN 18 HE22 GLN 18 -9.085 11.270 0.721 157 H LEU 19 H LEU 19 -12.612 15.011 3.653 158 HA LEU 19 HA LEU 19 -13.261 16.651 1.378 159 HB2 LEU 19 HB2 LEU 19 -14.714 14.842 3.265 160 HB3 LEU 19 HB3 LEU 19 -15.709 16.068 2.488 161 HG LEU 19 HG LEU 19 -15.457 13.824 1.243 162 HD11 LEU 19 HD11 LEU 19 -16.192 16.076 0.260 163 HD12 LEU 19 HD12 LEU 19 -15.528 14.922 -0.889 164 HD13 LEU 19 HD13 LEU 19 -14.541 16.259 -0.318 165 HD21 LEU 19 HD21 LEU 19 -12.898 14.882 0.150 166 HD22 LEU 19 HD22 LEU 19 -13.423 13.217 0.356 167 HD23 LEU 19 HD23 LEU 19 -12.818 14.126 1.737 168 H LYS 20 H LYS 20 -12.970 17.341 4.658 169 HA LYS 20 HA LYS 20 -14.947 19.498 4.665 170 HB2 LYS 20 HB2 LYS 20 -14.304 18.183 6.738 171 HB3 LYS 20 HB3 LYS 20 -12.694 18.876 6.639 172 HG2 LYS 20 HG2 LYS 20 -13.580 21.117 6.944 173 HG3 LYS 20 HG3 LYS 20 -15.233 20.517 6.854 174 HD2 LYS 20 HD2 LYS 20 -13.259 19.540 8.938 175 HD3 LYS 20 HD3 LYS 20 -14.324 20.914 9.218 176 HE2 LYS 20 HE2 LYS 20 -16.219 19.282 8.426 177 HE3 LYS 20 HE3 LYS 20 -15.051 18.019 8.793 178 HZ1 LYS 20 HZ1 LYS 20 -16.602 19.630 10.568 179 HZ2 LYS 20 HZ2 LYS 20 -14.950 19.660 10.961 180 HZ3 LYS 20 HZ3 LYS 20 -15.772 18.177 10.866 181 H GLU 21 H GLU 21 -11.391 19.183 4.599 182 HA GLU 21 HA GLU 21 -10.964 22.027 4.522 183 HB2 GLU 21 HB2 GLU 21 -9.351 19.571 4.186 184 HB3 GLU 21 HB3 GLU 21 -8.792 20.891 3.172 185 HG2 GLU 21 HG2 GLU 21 -7.791 20.790 5.534 186 HG3 GLU 21 HG3 GLU 21 -8.486 22.339 5.058 187 H LEU 22 H LEU 22 -11.884 19.714 2.142 188 HA LEU 22 HA LEU 22 -11.048 21.334 -0.128 189 HB2 LEU 22 HB2 LEU 22 -12.178 18.703 0.340 190 HB3 LEU 22 HB3 LEU 22 -13.221 19.529 -0.802 191 HG LEU 22 HG LEU 22 -11.593 18.418 -2.147 192 HD11 LEU 22 HD11 LEU 22 -10.896 20.192 -3.415 193 HD12 LEU 22 HD12 LEU 22 -10.098 20.970 -2.057 194 HD13 LEU 22 HD13 LEU 22 -11.834 21.137 -2.263 195 HD21 LEU 22 HD21 LEU 22 -9.598 19.446 -0.117 196 HD22 LEU 22 HD22 LEU 22 -9.108 18.784 -1.672 197 HD23 LEU 22 HD23 LEU 22 -9.968 17.772 -0.516 198 H GLU 23 H GLU 23 -14.224 20.495 1.244 199 HA GLU 23 HA GLU 23 -15.637 22.439 -0.376 200 HB2 GLU 23 HB2 GLU 23 -16.401 20.908 2.152 201 HB3 GLU 23 HB3 GLU 23 -17.534 21.894 1.234 202 HG2 GLU 23 HG2 GLU 23 -16.070 20.097 -0.526 203 HG3 GLU 23 HG3 GLU 23 -16.890 19.199 0.749 204 H ARG 24 H ARG 24 -13.987 22.695 2.685 205 HA ARG 24 HA ARG 24 -15.472 25.174 3.348 206 HB2 ARG 24 HB2 ARG 24 -13.197 23.689 4.754 207 HB3 ARG 24 HB3 ARG 24 -13.873 25.189 5.359 208 HG2 ARG 24 HG2 ARG 24 -14.934 22.458 5.606 209 HG3 ARG 24 HG3 ARG 24 -15.348 23.892 6.521 210 HD2 ARG 24 HD2 ARG 24 -16.433 23.297 3.740 211 HD3 ARG 24 HD3 ARG 24 -17.282 22.934 5.239 212 HE ARG 24 HE ARG 24 -16.433 25.731 5.011 213 HH11 ARG 24 HH11 ARG 24 -18.878 23.869 6.040 214 HH12 ARG 24 HH12 ARG 24 -20.172 24.735 5.283 215 HH21 ARG 24 HH21 ARG 24 -18.000 26.651 3.310 216 HH22 ARG 24 HH22 ARG 24 -19.662 26.347 3.689 217 H GLU 25 H GLU 25 -12.119 24.250 2.666 218 HA GLU 25 HA GLU 25 -11.212 26.967 2.657 219 HB2 GLU 25 HB2 GLU 25 -10.048 24.635 1.066 220 HB3 GLU 25 HB3 GLU 25 -9.189 26.066 1.623 221 HG2 GLU 25 HG2 GLU 25 -10.580 24.288 3.621 222 HG3 GLU 25 HG3 GLU 25 -8.988 23.844 3.013 223 H TYR 26 H TYR 26 -12.977 25.087 0.375 224 HA TYR 26 HA TYR 26 -12.238 26.912 -1.845 225 HB2 TYR 26 HB2 TYR 26 -12.657 24.383 -2.134 226 HB3 TYR 26 HB3 TYR 26 -14.363 24.712 -1.839 227 HD1 TYR 26 HD1 TYR 26 -15.363 26.695 -3.317 228 HD2 TYR 26 HD2 TYR 26 -11.885 24.471 -4.326 229 HE1 TYR 26 HE1 TYR 26 -15.588 27.408 -5.650 230 HE2 TYR 26 HE2 TYR 26 -12.113 25.173 -6.664 231 HH TYR 26 HH TYR 26 -14.374 26.025 -8.129 232 H ALA 27 H ALA 27 -15.056 26.038 0.105 233 HA ALA 27 HA ALA 27 -16.729 28.039 -1.182 234 HB1 ALA 27 HB1 ALA 27 -17.079 26.521 1.452 235 HB2 ALA 27 HB2 ALA 27 -17.678 25.983 -0.115 236 HB3 ALA 27 HB3 ALA 27 -18.342 27.433 0.632 237 H THR 28 H THR 28 -14.268 28.173 1.120 238 HA THR 28 HA THR 28 -15.393 30.311 2.739 239 HB THR 28 HB THR 28 -12.624 29.054 2.422 240 HG1 THR 28 HG1 THR 28 -13.156 28.482 4.505 241 HG21 THR 28 HG21 THR 28 -13.430 31.692 3.682 242 HG22 THR 28 HG22 THR 28 -11.867 31.228 3.025 243 HG23 THR 28 HG23 THR 28 -12.354 30.655 4.613 244 H ASN 29 H ASN 29 -13.180 30.090 -0.002 245 HA ASN 29 HA ASN 29 -13.744 32.958 -0.535 246 HB2 ASN 29 HB2 ASN 29 -11.129 33.007 -1.142 247 HB3 ASN 29 HB3 ASN 29 -11.654 33.279 0.519 248 HD21 ASN 29 HD21 ASN 29 -10.522 32.048 1.991 249 HD22 ASN 29 HD22 ASN 29 -9.856 30.515 1.690 250 H LYS 30 H LYS 30 -11.253 30.912 -1.928 251 HA LYS 30 HA LYS 30 -12.851 30.157 -4.240 252 HB2 LYS 30 HB2 LYS 30 -10.989 32.552 -4.316 253 HB3 LYS 30 HB3 LYS 30 -11.051 31.507 -5.728 254 HG2 LYS 30 HG2 LYS 30 -13.684 31.786 -5.395 255 HG3 LYS 30 HG3 LYS 30 -13.192 33.265 -4.578 256 HD2 LYS 30 HD2 LYS 30 -12.584 32.445 -7.431 257 HD3 LYS 30 HD3 LYS 30 -13.518 33.835 -6.891 258 HE2 LYS 30 HE2 LYS 30 -11.355 34.561 -5.663 259 HE3 LYS 30 HE3 LYS 30 -10.538 33.392 -6.690 260 HZ1 LYS 30 HZ1 LYS 30 -11.987 34.686 -8.489 261 HZ2 LYS 30 HZ2 LYS 30 -10.405 35.132 -8.061 262 HZ3 LYS 30 HZ3 LYS 30 -11.730 35.939 -7.370 263 H PHE 31 H PHE 31 -9.599 30.877 -3.090 264 HA PHE 31 HA PHE 31 -8.881 28.093 -3.536 265 HB2 PHE 31 HB2 PHE 31 -8.306 29.890 -5.597 266 HB3 PHE 31 HB3 PHE 31 -6.804 29.882 -4.663 267 HD1 PHE 31 HD1 PHE 31 -5.781 27.645 -4.048 268 HD2 PHE 31 HD2 PHE 31 -8.919 27.985 -6.901 269 HE1 PHE 31 HE1 PHE 31 -5.425 25.322 -4.721 270 HE2 PHE 31 HE2 PHE 31 -8.543 25.661 -7.580 271 HZ PHE 31 HZ PHE 31 -6.828 24.334 -6.448 272 H ILE 32 H ILE 32 -6.746 27.623 -2.669 273 HA ILE 32 HA ILE 32 -6.225 29.447 -0.379 274 HB ILE 32 HB ILE 32 -5.076 26.883 0.097 275 HG12 ILE 32 HG12 ILE 32 -7.214 25.507 -0.111 276 HG13 ILE 32 HG13 ILE 32 -7.845 26.764 -1.164 277 HG21 ILE 32 HG21 ILE 32 -6.145 28.416 1.767 278 HG22 ILE 32 HG22 ILE 32 -6.928 26.840 1.829 279 HG23 ILE 32 HG23 ILE 32 -7.710 28.180 0.995 280 HD11 ILE 32 HD11 ILE 32 -6.844 25.480 -2.800 281 HD12 ILE 32 HD12 ILE 32 -5.708 24.748 -1.673 282 HD13 ILE 32 HD13 ILE 32 -5.403 26.360 -2.308 283 H THR 33 H THR 33 -4.053 29.462 0.430 284 HA THR 33 HA THR 33 -2.184 30.132 -1.654 285 HB THR 33 HB THR 33 -0.784 30.889 0.170 286 HG1 THR 33 HG1 THR 33 -2.140 28.748 1.415 287 HG21 THR 33 HG21 THR 33 -3.211 31.884 0.238 288 HG22 THR 33 HG22 THR 33 -2.321 31.955 1.755 289 HG23 THR 33 HG23 THR 33 -3.539 30.708 1.506 290 H LYS 34 H LYS 34 -0.037 29.299 -1.821 291 HA LYS 34 HA LYS 34 0.113 26.608 -2.445 292 HB2 LYS 34 HB2 LYS 34 2.163 28.677 -1.658 293 HB3 LYS 34 HB3 LYS 34 2.688 27.011 -1.875 294 HG2 LYS 34 HG2 LYS 34 2.913 28.264 -3.985 295 HG3 LYS 34 HG3 LYS 34 1.707 27.000 -4.152 296 HD2 LYS 34 HD2 LYS 34 0.760 29.691 -3.222 297 HD3 LYS 34 HD3 LYS 34 1.237 29.560 -4.905 298 HE2 LYS 34 HE2 LYS 34 -0.342 27.290 -4.512 299 HE3 LYS 34 HE3 LYS 34 -1.170 28.519 -3.573 300 HZ1 LYS 34 HZ1 LYS 34 -0.450 28.616 -6.444 301 HZ2 LYS 34 HZ2 LYS 34 -1.022 29.959 -5.575 302 HZ3 LYS 34 HZ3 LYS 34 -2.006 28.588 -5.765 303 H ASP 35 H ASP 35 0.764 28.133 0.654 304 HA ASP 35 HA ASP 35 1.677 25.649 1.865 305 HB2 ASP 35 HB2 ASP 35 0.919 28.415 2.871 306 HB3 ASP 35 HB3 ASP 35 1.203 27.106 4.017 307 H LYS 36 H LYS 36 -1.344 27.393 1.583 308 HA LYS 36 HA LYS 36 -2.731 25.725 3.501 309 HB2 LYS 36 HB2 LYS 36 -3.567 27.738 1.398 310 HB3 LYS 36 HB3 LYS 36 -4.771 26.788 2.260 311 HG2 LYS 36 HG2 LYS 36 -2.623 28.195 3.814 312 HG3 LYS 36 HG3 LYS 36 -4.001 29.119 3.229 313 HD2 LYS 36 HD2 LYS 36 -4.808 26.578 4.445 314 HD3 LYS 36 HD3 LYS 36 -3.932 27.607 5.571 315 HE2 LYS 36 HE2 LYS 36 -5.448 29.509 4.894 316 HE3 LYS 36 HE3 LYS 36 -6.389 28.357 3.958 317 HZ1 LYS 36 HZ1 LYS 36 -6.677 27.071 6.047 318 HZ2 LYS 36 HZ2 LYS 36 -7.415 28.603 6.060 319 HZ3 LYS 36 HZ3 LYS 36 -5.954 28.358 6.890 320 H ARG 37 H ARG 37 -2.478 25.770 -0.059 321 HA ARG 37 HA ARG 37 -4.349 23.596 -0.376 322 HB2 ARG 37 HB2 ARG 37 -3.372 23.411 -2.656 323 HB3 ARG 37 HB3 ARG 37 -3.625 25.106 -2.264 324 HG2 ARG 37 HG2 ARG 37 -1.285 25.267 -1.533 325 HG3 ARG 37 HG3 ARG 37 -1.026 23.598 -1.992 326 HD2 ARG 37 HD2 ARG 37 -1.804 25.884 -3.820 327 HD3 ARG 37 HD3 ARG 37 -0.279 25.004 -3.834 328 HE ARG 37 HE ARG 37 -2.158 23.031 -4.266 329 HH11 ARG 37 HH11 ARG 37 -3.550 25.592 -5.358 330 HH12 ARG 37 HH12 ARG 37 -3.195 25.442 -7.047 331 HH21 ARG 37 HH21 ARG 37 -0.732 23.002 -6.519 332 HH22 ARG 37 HH22 ARG 37 -1.556 23.939 -7.721 333 H ARG 38 H ARG 38 -1.017 23.901 0.451 334 HA ARG 38 HA ARG 38 -0.354 21.140 -0.083 335 HB2 ARG 38 HB2 ARG 38 1.349 23.021 0.057 336 HB3 ARG 38 HB3 ARG 38 1.039 23.116 1.786 337 HG2 ARG 38 HG2 ARG 38 1.770 20.803 2.086 338 HG3 ARG 38 HG3 ARG 38 1.951 20.602 0.347 339 HD2 ARG 38 HD2 ARG 38 3.428 22.857 1.651 340 HD3 ARG 38 HD3 ARG 38 4.046 21.223 1.879 341 HE ARG 38 HE ARG 38 4.207 21.053 -0.606 342 HH11 ARG 38 HH11 ARG 38 5.095 23.783 1.009 343 HH12 ARG 38 HH12 ARG 38 5.094 24.849 -0.356 344 HH21 ARG 38 HH21 ARG 38 3.564 22.489 -2.450 345 HH22 ARG 38 HH22 ARG 38 4.203 24.097 -2.367 346 H ARG 39 H ARG 39 -1.743 22.940 2.558 347 HA ARG 39 HA ARG 39 -1.188 20.986 4.601 348 HB2 ARG 39 HB2 ARG 39 -3.220 23.222 4.250 349 HB3 ARG 39 HB3 ARG 39 -3.435 22.075 5.560 350 HG2 ARG 39 HG2 ARG 39 -1.205 22.595 6.430 351 HG3 ARG 39 HG3 ARG 39 -0.895 23.665 5.068 352 HD2 ARG 39 HD2 ARG 39 -1.777 25.341 6.311 353 HD3 ARG 39 HD3 ARG 39 -3.344 24.555 6.120 354 HE ARG 39 HE ARG 39 -1.732 23.457 8.307 355 HH11 ARG 39 HH11 ARG 39 -4.686 24.613 7.368 356 HH12 ARG 39 HH12 ARG 39 -5.086 25.400 8.857 357 HH21 ARG 39 HH21 ARG 39 -1.874 24.963 10.186 358 HH22 ARG 39 HH22 ARG 39 -3.454 25.600 10.496 359 H ILE 40 H ILE 40 -3.763 21.583 2.298 360 HA ILE 40 HA ILE 40 -5.485 19.479 3.107 361 HB ILE 40 HB ILE 40 -4.916 20.432 0.259 362 HG12 ILE 40 HG12 ILE 40 -6.973 21.584 2.161 363 HG13 ILE 40 HG13 ILE 40 -5.365 22.266 2.007 364 HG21 ILE 40 HG21 ILE 40 -7.358 19.868 0.004 365 HG22 ILE 40 HG22 ILE 40 -7.369 19.287 1.664 366 HG23 ILE 40 HG23 ILE 40 -6.393 18.466 0.452 367 HD11 ILE 40 HD11 ILE 40 -6.013 22.108 -0.618 368 HD12 ILE 40 HD12 ILE 40 -6.398 23.517 0.364 369 HD13 ILE 40 HD13 ILE 40 -7.625 22.294 0.064 370 H SER 41 H SER 41 -3.459 19.469 0.180 371 HA SER 41 HA SER 41 -3.348 16.777 -0.243 372 HB2 SER 41 HB2 SER 41 -0.638 17.832 -0.534 373 HB3 SER 41 HB3 SER 41 -1.808 17.489 -1.818 374 HG SER 41 HG SER 41 -1.262 19.838 -0.511 375 H ALA 42 H ALA 42 -1.496 18.552 2.142 376 HA ALA 42 HA ALA 42 0.101 16.251 2.924 377 HB1 ALA 42 HB1 ALA 42 -0.530 18.906 4.320 378 HB2 ALA 42 HB2 ALA 42 0.912 18.550 3.372 379 HB3 ALA 42 HB3 ALA 42 0.651 17.744 4.918 380 H THR 43 H THR 43 -3.012 17.423 3.545 381 HA THR 43 HA THR 43 -3.289 15.861 6.041 382 HB THR 43 HB THR 43 -4.957 17.950 4.576 383 HG1 THR 43 HG1 THR 43 -3.419 18.300 6.310 384 HG21 THR 43 HG21 THR 43 -6.690 16.293 5.090 385 HG22 THR 43 HG22 THR 43 -6.702 17.427 6.438 386 HG23 THR 43 HG23 THR 43 -5.906 15.867 6.609 387 H THR 44 H THR 44 -4.356 15.948 2.682 388 HA THR 44 HA THR 44 -6.025 13.587 3.122 389 HB THR 44 HB THR 44 -6.678 15.368 1.487 390 HG1 THR 44 HG1 THR 44 -6.102 12.733 0.708 391 HG21 THR 44 HG21 THR 44 -4.020 14.841 0.472 392 HG22 THR 44 HG22 THR 44 -5.152 16.132 0.074 393 HG23 THR 44 HG23 THR 44 -5.262 14.608 -0.753 394 H ASN 45 H ASN 45 -2.760 14.236 2.370 395 HA ASN 45 HA ASN 45 -0.985 12.680 2.287 396 HB2 ASN 45 HB2 ASN 45 -2.954 11.131 3.250 397 HB3 ASN 45 HB3 ASN 45 -2.787 10.366 1.674 398 HD21 ASN 45 HD21 ASN 45 0.031 10.708 1.293 399 HD22 ASN 45 HD22 ASN 45 0.849 9.780 2.456 400 H LEU 46 H LEU 46 -1.719 14.074 -0.153 401 HA LEU 46 HA LEU 46 -0.668 11.946 -2.038 402 HB2 LEU 46 HB2 LEU 46 -2.242 13.279 -3.810 403 HB3 LEU 46 HB3 LEU 46 -2.840 11.904 -2.901 404 HG LEU 46 HG LEU 46 -3.597 13.491 -1.157 405 HD11 LEU 46 HD11 LEU 46 -2.275 15.409 -1.518 406 HD12 LEU 46 HD12 LEU 46 -3.855 15.894 -2.123 407 HD13 LEU 46 HD13 LEU 46 -2.593 15.411 -3.248 408 HD21 LEU 46 HD21 LEU 46 -5.440 12.891 -2.403 409 HD22 LEU 46 HD22 LEU 46 -4.651 13.280 -3.927 410 HD23 LEU 46 HD23 LEU 46 -5.352 14.562 -2.949 411 H SER 47 H SER 47 -0.861 13.858 -4.323 412 HA SER 47 HA SER 47 1.693 15.094 -3.847 413 HB2 SER 47 HB2 SER 47 1.248 14.272 -6.098 414 HB3 SER 47 HB3 SER 47 -0.284 15.164 -6.176 415 HG SER 47 HG SER 47 1.421 16.323 -7.177 416 H GLU 48 H GLU 48 -0.229 16.964 -5.731 417 HA GLU 48 HA GLU 48 -1.277 18.716 -3.716 418 HB2 GLU 48 HB2 GLU 48 1.358 19.232 -5.113 419 HB3 GLU 48 HB3 GLU 48 0.311 20.597 -4.759 420 HG2 GLU 48 HG2 GLU 48 0.225 19.391 -2.337 421 HG3 GLU 48 HG3 GLU 48 1.802 18.811 -2.876 422 H ARG 49 H ARG 49 0.057 18.637 -7.030 423 HA ARG 49 HA ARG 49 -1.819 20.347 -8.164 424 HB2 ARG 49 HB2 ARG 49 0.206 19.073 -9.300 425 HB3 ARG 49 HB3 ARG 49 -0.950 17.768 -9.549 426 HG2 ARG 49 HG2 ARG 49 -2.111 18.932 -11.153 427 HG3 ARG 49 HG3 ARG 49 -1.915 20.470 -10.325 428 HD2 ARG 49 HD2 ARG 49 0.362 19.074 -11.762 429 HD3 ARG 49 HD3 ARG 49 -0.664 20.282 -12.533 430 HE ARG 49 HE ARG 49 1.369 20.809 -10.479 431 HH11 ARG 49 HH11 ARG 49 -1.736 21.779 -11.472 432 HH12 ARG 49 HH12 ARG 49 -1.389 23.476 -11.470 433 HH21 ARG 49 HH21 ARG 49 2.009 22.990 -10.763 434 HH22 ARG 49 HH22 ARG 49 0.784 24.179 -11.054 435 H GLN 50 H GLN 50 -1.994 17.187 -6.853 436 HA GLN 50 HA GLN 50 -4.400 16.268 -8.066 437 HB2 GLN 50 HB2 GLN 50 -3.021 15.758 -5.388 438 HB3 GLN 50 HB3 GLN 50 -4.562 14.996 -5.763 439 HG2 GLN 50 HG2 GLN 50 -2.375 14.830 -7.810 440 HG3 GLN 50 HG3 GLN 50 -2.252 13.802 -6.382 441 HE21 GLN 50 HE21 GLN 50 -2.711 11.843 -7.589 442 HE22 GLN 50 HE22 GLN 50 -4.257 11.517 -8.209 443 H VAL 51 H VAL 51 -3.677 18.104 -5.113 444 HA VAL 51 HA VAL 51 -6.403 18.471 -4.387 445 HB VAL 51 HB VAL 51 -4.083 20.339 -3.854 446 HG11 VAL 51 HG11 VAL 51 -5.628 21.552 -2.721 447 HG12 VAL 51 HG12 VAL 51 -5.923 20.161 -1.684 448 HG13 VAL 51 HG13 VAL 51 -6.879 20.388 -3.145 449 HG21 VAL 51 HG21 VAL 51 -3.427 18.170 -3.075 450 HG22 VAL 51 HG22 VAL 51 -5.045 17.815 -2.485 451 HG23 VAL 51 HG23 VAL 51 -4.044 18.999 -1.653 452 H THR 52 H THR 52 -4.107 20.416 -6.175 453 HA THR 52 HA THR 52 -5.705 22.603 -6.815 454 HB THR 52 HB THR 52 -3.971 21.214 -8.877 455 HG1 THR 52 HG1 THR 52 -2.982 21.038 -6.841 456 HG21 THR 52 HG21 THR 52 -3.722 24.072 -7.918 457 HG22 THR 52 HG22 THR 52 -5.031 23.680 -9.022 458 HG23 THR 52 HG23 THR 52 -3.361 23.427 -9.515 459 H ILE 53 H ILE 53 -5.463 19.434 -8.183 460 HA ILE 53 HA ILE 53 -7.405 19.857 -10.281 461 HB ILE 53 HB ILE 53 -5.811 17.596 -9.084 462 HG12 ILE 53 HG12 ILE 53 -4.875 17.417 -11.163 463 HG13 ILE 53 HG13 ILE 53 -6.364 17.820 -11.995 464 HG21 ILE 53 HG21 ILE 53 -8.354 17.236 -10.717 465 HG22 ILE 53 HG22 ILE 53 -8.018 16.574 -9.122 466 HG23 ILE 53 HG23 ILE 53 -7.145 15.971 -10.527 467 HD11 ILE 53 HD11 ILE 53 -4.318 19.529 -11.909 468 HD12 ILE 53 HD12 ILE 53 -5.052 19.971 -10.383 469 HD13 ILE 53 HD13 ILE 53 -5.977 20.107 -11.870 470 H TRP 54 H TRP 54 -7.393 18.942 -6.959 471 HA TRP 54 HA TRP 54 -9.991 17.709 -6.879 472 HB2 TRP 54 HB2 TRP 54 -8.009 17.727 -5.147 473 HB3 TRP 54 HB3 TRP 54 -8.692 19.232 -4.575 474 HD1 TRP 54 HD1 TRP 54 -11.771 17.973 -5.159 475 HE1 TRP 54 HE1 TRP 54 -12.531 16.184 -3.519 476 HE3 TRP 54 HE3 TRP 54 -7.434 17.243 -2.942 477 HZ2 TRP 54 HZ2 TRP 54 -11.272 14.617 -1.288 478 HZ3 TRP 54 HZ3 TRP 54 -7.153 15.665 -1.084 479 HH2 TRP 54 HH2 TRP 54 -9.058 14.366 -0.258 480 H PHE 55 H PHE 55 -8.651 20.923 -6.256 481 HA PHE 55 HA PHE 55 -11.135 22.130 -5.514 482 HB2 PHE 55 HB2 PHE 55 -8.539 23.079 -6.693 483 HB3 PHE 55 HB3 PHE 55 -9.883 24.215 -6.614 484 HD1 PHE 55 HD1 PHE 55 -8.484 21.550 -4.395 485 HD2 PHE 55 HD2 PHE 55 -9.868 25.552 -4.692 486 HE1 PHE 55 HE1 PHE 55 -8.087 21.844 -2.013 487 HE2 PHE 55 HE2 PHE 55 -9.490 25.844 -2.292 488 HZ PHE 55 HZ PHE 55 -8.590 24.001 -0.943 489 H GLN 56 H GLN 56 -9.590 21.925 -8.711 490 HA GLN 56 HA GLN 56 -11.619 23.314 -10.134 491 HB2 GLN 56 HB2 GLN 56 -9.652 21.139 -10.919 492 HB3 GLN 56 HB3 GLN 56 -10.714 21.894 -12.093 493 HG2 GLN 56 HG2 GLN 56 -9.782 24.143 -11.110 494 HG3 GLN 56 HG3 GLN 56 -8.466 23.132 -10.517 495 HE21 GLN 56 HE21 GLN 56 -6.873 23.954 -12.000 496 HE22 GLN 56 HE22 GLN 56 -6.954 23.669 -13.671 497 H ASN 57 H ASN 57 -11.314 19.918 -9.229 498 HA ASN 57 HA ASN 57 -13.538 19.026 -10.820 499 HB2 ASN 57 HB2 ASN 57 -11.610 17.780 -9.235 500 HB3 ASN 57 HB3 ASN 57 -13.062 17.595 -8.259 501 HD21 ASN 57 HD21 ASN 57 -15.015 17.350 -10.291 502 HD22 ASN 57 HD22 ASN 57 -14.724 15.926 -11.170 503 H ARG 58 H ARG 58 -13.094 19.996 -7.496 504 HA ARG 58 HA ARG 58 -15.733 19.619 -6.619 505 HB2 ARG 58 HB2 ARG 58 -13.351 20.700 -5.606 506 HB3 ARG 58 HB3 ARG 58 -14.401 22.096 -5.667 507 HG2 ARG 58 HG2 ARG 58 -15.463 19.535 -4.493 508 HG3 ARG 58 HG3 ARG 58 -14.377 20.521 -3.528 509 HD2 ARG 58 HD2 ARG 58 -15.851 22.384 -3.557 510 HD3 ARG 58 HD3 ARG 58 -16.779 21.733 -4.905 511 HE ARG 58 HE ARG 58 -16.869 20.635 -2.126 512 HH11 ARG 58 HH11 ARG 58 -19.110 22.266 -3.200 513 HH12 ARG 58 HH12 ARG 58 -20.208 21.064 -3.791 514 HH21 ARG 58 HH21 ARG 58 -17.778 18.539 -3.753 515 HH22 ARG 58 HH22 ARG 58 -19.436 18.895 -4.107 516 H ARG 59 H ARG 59 -14.311 21.891 -8.802 517 HA ARG 59 HA ARG 59 -16.632 23.740 -8.567 518 HB2 ARG 59 HB2 ARG 59 -14.041 24.291 -9.123 519 HB3 ARG 59 HB3 ARG 59 -14.567 23.947 -10.768 520 HG2 ARG 59 HG2 ARG 59 -16.341 25.623 -10.593 521 HG3 ARG 59 HG3 ARG 59 -15.947 25.910 -8.903 522 HD2 ARG 59 HD2 ARG 59 -14.659 27.599 -9.763 523 HD3 ARG 59 HD3 ARG 59 -13.503 26.301 -10.054 524 HE ARG 59 HE ARG 59 -15.472 27.090 -12.161 525 HH11 ARG 59 HH11 ARG 59 -13.221 24.911 -12.117 526 HH12 ARG 59 HH12 ARG 59 -12.062 25.665 -13.160 527 HH21 ARG 59 HH21 ARG 59 -13.646 28.787 -12.994 528 HH22 ARG 59 HH22 ARG 59 -12.306 27.918 -13.668 529 H VAL 60 H VAL 60 -15.584 21.024 -10.244 530 HA VAL 60 HA VAL 60 -17.331 21.504 -12.560 531 HB VAL 60 HB VAL 60 -14.938 20.102 -12.080 532 HG11 VAL 60 HG11 VAL 60 -17.086 18.055 -12.737 533 HG12 VAL 60 HG12 VAL 60 -16.423 18.252 -11.119 534 HG13 VAL 60 HG13 VAL 60 -15.376 17.758 -12.446 535 HG21 VAL 60 HG21 VAL 60 -16.801 19.599 -14.426 536 HG22 VAL 60 HG22 VAL 60 -15.040 19.591 -14.431 537 HG23 VAL 60 HG23 VAL 60 -15.914 21.106 -14.223 538 H LYS 61 H LYS 61 -17.299 19.808 -9.533 539 HA LYS 61 HA LYS 61 -19.690 18.223 -10.262 540 HB2 LYS 61 HB2 LYS 61 -17.517 17.843 -8.477 541 HB3 LYS 61 HB3 LYS 61 -18.888 18.171 -7.425 542 HG2 LYS 61 HG2 LYS 61 -19.187 16.199 -9.693 543 HG3 LYS 61 HG3 LYS 61 -18.433 15.695 -8.186 544 HD2 LYS 61 HD2 LYS 61 -20.473 16.658 -6.987 545 HD3 LYS 61 HD3 LYS 61 -21.231 16.802 -8.568 546 HE2 LYS 61 HE2 LYS 61 -21.320 14.482 -8.881 547 HE3 LYS 61 HE3 LYS 61 -19.993 14.181 -7.766 548 HZ1 LYS 61 HZ1 LYS 61 -22.606 15.239 -6.867 549 HZ2 LYS 61 HZ2 LYS 61 -21.367 14.560 -5.923 550 HZ3 LYS 61 HZ3 LYS 61 -22.278 13.574 -6.964 551 H GLU 62 H GLU 62 -18.835 21.158 -8.660 552 HA GLU 62 HA GLU 62 -21.175 21.366 -6.975 553 HB2 GLU 62 HB2 GLU 62 -18.989 23.202 -7.955 554 HB3 GLU 62 HB3 GLU 62 -20.447 23.952 -7.319 555 HG2 GLU 62 HG2 GLU 62 -19.461 21.735 -5.662 556 HG3 GLU 62 HG3 GLU 62 -18.325 23.074 -5.785 557 H LYS 63 H LYS 63 -20.461 22.134 -10.307 558 HA LYS 63 HA LYS 63 -22.869 23.736 -10.616 559 HB2 LYS 63 HB2 LYS 63 -22.237 23.778 -13.008 560 HB3 LYS 63 HB3 LYS 63 -20.808 24.077 -12.025 561 HG2 LYS 63 HG2 LYS 63 -20.176 21.720 -12.200 562 HG3 LYS 63 HG3 LYS 63 -21.616 21.378 -13.139 563 HD2 LYS 63 HD2 LYS 63 -19.552 21.716 -14.548 564 HD3 LYS 63 HD3 LYS 63 -20.861 22.827 -14.937 565 HE2 LYS 63 HE2 LYS 63 -18.822 23.615 -12.884 566 HE3 LYS 63 HE3 LYS 63 -18.418 23.758 -14.584 567 HZ1 LYS 63 HZ1 LYS 63 -19.963 25.373 -14.909 568 HZ2 LYS 63 HZ2 LYS 63 -19.557 25.698 -13.293 569 HZ3 LYS 63 HZ3 LYS 63 -20.974 24.836 -13.656 570 H LYS 64 H LYS 64 -22.081 20.418 -10.706 571 HA LYS 64 HA LYS 64 -24.130 19.545 -12.533 572 HB2 LYS 64 HB2 LYS 64 -22.049 18.356 -11.027 573 HB3 LYS 64 HB3 LYS 64 -23.519 17.637 -10.378 574 HG2 LYS 64 HG2 LYS 64 -24.201 16.856 -12.541 575 HG3 LYS 64 HG3 LYS 64 -22.992 17.844 -13.354 576 HD2 LYS 64 HD2 LYS 64 -21.209 16.471 -12.627 577 HD3 LYS 64 HD3 LYS 64 -22.174 15.745 -11.347 578 HE2 LYS 64 HE2 LYS 64 -22.790 15.398 -14.296 579 HE3 LYS 64 HE3 LYS 64 -21.816 14.259 -13.374 580 HZ1 LYS 64 HZ1 LYS 64 -24.523 14.228 -13.605 581 HZ2 LYS 64 HZ2 LYS 64 -24.275 14.903 -12.066 582 HZ3 LYS 64 HZ3 LYS 64 -23.612 13.386 -12.446 583 H VAL 65 H VAL 65 -24.901 21.453 -10.349 584 HA VAL 65 HA VAL 65 -27.327 19.943 -9.521 585 HB VAL 65 HB VAL 65 -25.675 21.630 -7.580 586 HG11 VAL 65 HG11 VAL 65 -28.033 21.577 -7.001 587 HG12 VAL 65 HG12 VAL 65 -27.192 20.478 -5.913 588 HG13 VAL 65 HG13 VAL 65 -28.108 19.839 -7.274 589 HG21 VAL 65 HG21 VAL 65 -24.995 19.516 -6.556 590 HG22 VAL 65 HG22 VAL 65 -24.521 19.509 -8.251 591 HG23 VAL 65 HG23 VAL 65 -25.942 18.610 -7.731 592 H ILE 66 H ILE 66 -25.702 23.115 -9.374 593 HA ILE 66 HA ILE 66 -28.171 24.579 -9.121 594 HB ILE 66 HB ILE 66 -26.656 26.515 -9.992 595 HG12 ILE 66 HG12 ILE 66 -24.276 24.879 -9.418 596 HG13 ILE 66 HG13 ILE 66 -25.114 24.403 -10.890 597 HG21 ILE 66 HG21 ILE 66 -27.042 25.887 -7.547 598 HG22 ILE 66 HG22 ILE 66 -25.450 26.587 -7.833 599 HG23 ILE 66 HG23 ILE 66 -25.623 24.847 -7.635 600 HD11 ILE 66 HD11 ILE 66 -24.853 26.530 -11.874 601 HD12 ILE 66 HD12 ILE 66 -23.321 26.301 -11.038 602 HD13 ILE 66 HD13 ILE 66 -24.571 27.316 -10.324 603 H ASN 67 H ASN 67 -29.035 23.029 -10.937 604 HA ASN 67 HA ASN 67 -29.160 24.718 -13.366 605 HB2 ASN 67 HB2 ASN 67 -28.847 22.647 -14.800 606 HB3 ASN 67 HB3 ASN 67 -27.401 23.052 -13.880 607 HD21 ASN 67 HD21 ASN 67 -27.236 20.525 -14.481 608 HD22 ASN 67 HD22 ASN 67 -27.780 19.476 -13.262 609 H LYS 68 H LYS 68 -30.576 22.632 -11.113 610 HA LYS 68 HA LYS 68 -32.752 21.578 -12.629 611 HB2 LYS 68 HB2 LYS 68 -31.964 21.824 -9.822 612 HB3 LYS 68 HB3 LYS 68 -33.687 22.139 -9.992 613 HG2 LYS 68 HG2 LYS 68 -33.440 19.759 -9.694 614 HG3 LYS 68 HG3 LYS 68 -33.827 20.018 -11.392 615 HD2 LYS 68 HD2 LYS 68 -31.327 20.016 -11.855 616 HD3 LYS 68 HD3 LYS 68 -31.091 19.495 -10.191 617 HE2 LYS 68 HE2 LYS 68 -31.214 17.632 -11.950 618 HE3 LYS 68 HE3 LYS 68 -32.270 17.451 -10.556 619 HZ1 LYS 68 HZ1 LYS 68 -33.491 18.945 -12.661 620 HZ2 LYS 68 HZ2 LYS 68 -34.062 17.581 -11.826 621 HZ3 LYS 68 HZ3 LYS 68 -33.032 17.390 -13.163 622 H LEU 69 H LEU 69 -31.972 24.746 -11.998 623 HA LEU 69 HA LEU 69 -34.780 25.597 -12.577 624 HB2 LEU 69 HB2 LEU 69 -33.945 25.936 -10.108 625 HB3 LEU 69 HB3 LEU 69 -32.915 27.197 -10.775 626 HG LEU 69 HG LEU 69 -34.984 28.227 -11.809 627 HD11 LEU 69 HD11 LEU 69 -37.052 27.305 -10.286 628 HD12 LEU 69 HD12 LEU 69 -36.136 25.818 -10.513 629 HD13 LEU 69 HD13 LEU 69 -36.711 26.720 -11.912 630 HD21 LEU 69 HD21 LEU 69 -35.103 27.886 -8.794 631 HD22 LEU 69 HD22 LEU 69 -35.732 29.243 -9.721 632 HD23 LEU 69 HD23 LEU 69 -33.995 28.976 -9.620 633 H LYS 70 H LYS 70 -33.688 25.521 -14.754 634 HA LYS 70 HA LYS 70 -31.610 27.260 -15.538 635 HB2 LYS 70 HB2 LYS 70 -32.864 25.472 -16.930 636 HB3 LYS 70 HB3 LYS 70 -34.109 26.686 -17.194 637 HG2 LYS 70 HG2 LYS 70 -32.761 27.970 -18.559 638 HG3 LYS 70 HG3 LYS 70 -31.289 27.514 -17.710 639 HD2 LYS 70 HD2 LYS 70 -31.323 26.503 -19.956 640 HD3 LYS 70 HD3 LYS 70 -31.417 25.251 -18.723 641 HE2 LYS 70 HE2 LYS 70 -33.865 25.147 -18.992 642 HE3 LYS 70 HE3 LYS 70 -33.800 26.436 -20.186 643 HZ1 LYS 70 HZ1 LYS 70 -33.829 23.944 -20.903 644 HZ2 LYS 70 HZ2 LYS 70 -32.159 24.049 -20.618 645 HZ3 LYS 70 HZ3 LYS 70 -32.893 25.080 -21.751 646 H THR 71 H THR 71 -31.831 29.224 -14.419 647 HA THR 71 HA THR 71 -33.294 31.243 -15.863 648 HB THR 71 HB THR 71 -35.064 30.001 -14.300 649 HG1 THR 71 HG1 THR 71 -35.214 32.056 -15.406 650 HG21 THR 71 HG21 THR 71 -33.492 30.297 -12.229 651 HG22 THR 71 HG22 THR 71 -35.131 30.908 -12.021 652 HG23 THR 71 HG23 THR 71 -33.814 32.025 -12.364 653 H THR 72 H THR 72 -32.373 33.181 -15.536 654 HA THR 72 HA THR 72 -30.643 34.617 -14.828 655 HB THR 72 HB THR 72 -30.997 35.325 -12.435 656 HG1 THR 72 HG1 THR 72 -31.111 33.221 -11.614 657 HG21 THR 72 HG21 THR 72 -32.894 35.785 -14.165 658 HG22 THR 72 HG22 THR 72 -33.430 35.709 -12.489 659 HG23 THR 72 HG23 THR 72 -33.677 34.329 -13.556 660 H SER 73 H SER 73 -29.773 31.923 -15.141 661 HA SER 73 HA SER 73 -28.214 31.112 -12.845 662 HB2 SER 73 HB2 SER 73 -27.276 29.441 -14.370 663 HB3 SER 73 HB3 SER 73 -28.954 29.667 -14.904 664 HG SER 73 HG SER 73 -26.674 30.233 -16.211 Start of MODEL 10 1 HA MET 1 HA MET 1 18.397 -4.482 -7.227 2 H SER 2 H SER 2 17.622 -3.454 -5.128 3 HA SER 2 HA SER 2 15.530 -5.224 -4.019 4 HB2 SER 2 HB2 SER 2 16.166 -4.466 -1.653 5 HB3 SER 2 HB3 SER 2 17.423 -5.462 -2.410 6 HG SER 2 HG SER 2 18.529 -3.693 -1.857 7 H HIS 3 H HIS 3 13.677 -4.158 -3.640 8 HA HIS 3 HA HIS 3 13.370 -1.467 -4.573 9 HB2 HIS 3 HB2 HIS 3 11.067 -1.716 -3.413 10 HB3 HIS 3 HB3 HIS 3 11.444 -2.949 -4.613 11 HD1 HIS 3 HD1 HIS 3 13.425 -4.263 -2.422 12 HD2 HIS 3 HD2 HIS 3 9.431 -3.659 -2.060 13 HE1 HIS 3 HE1 HIS 3 12.713 -5.859 -0.747 14 H MET 4 H MET 4 11.784 -1.888 -1.583 15 HA MET 4 HA MET 4 11.826 -0.519 0.328 16 HB2 MET 4 HB2 MET 4 14.807 -1.113 -0.041 17 HB3 MET 4 HB3 MET 4 14.072 -0.546 1.455 18 HG2 MET 4 HG2 MET 4 13.852 -2.732 1.945 19 HG3 MET 4 HG3 MET 4 12.473 -2.659 0.883 20 HE1 MET 4 HE1 MET 4 15.441 -5.732 0.869 21 HE2 MET 4 HE2 MET 4 14.057 -5.262 1.858 22 HE3 MET 4 HE3 MET 4 15.535 -4.301 1.894 23 H LEU 5 H LEU 5 11.351 1.189 -1.485 24 HA LEU 5 HA LEU 5 13.475 3.102 -2.004 25 HB2 LEU 5 HB2 LEU 5 10.449 3.496 -2.201 26 HB3 LEU 5 HB3 LEU 5 11.685 4.423 -3.045 27 HG LEU 5 HG LEU 5 11.501 1.428 -3.385 28 HD11 LEU 5 HD11 LEU 5 9.281 2.282 -3.947 29 HD12 LEU 5 HD12 LEU 5 10.139 1.906 -5.437 30 HD13 LEU 5 HD13 LEU 5 9.989 3.578 -4.906 31 HD21 LEU 5 HD21 LEU 5 13.529 2.519 -4.203 32 HD22 LEU 5 HD22 LEU 5 12.573 3.728 -5.055 33 HD23 LEU 5 HD23 LEU 5 12.545 2.051 -5.585 34 H GLU 6 H GLU 6 12.936 5.501 -1.461 35 HA GLU 6 HA GLU 6 12.962 5.676 1.450 36 HB2 GLU 6 HB2 GLU 6 14.351 7.141 -0.089 37 HB3 GLU 6 HB3 GLU 6 12.867 7.908 -0.644 38 HG2 GLU 6 HG2 GLU 6 13.009 7.836 2.273 39 HG3 GLU 6 HG3 GLU 6 14.391 8.680 1.576 40 H GLY 7 H GLY 7 11.493 6.826 2.742 41 HA2 GLY 7 HA2 GLY 7 9.405 7.812 3.294 42 HA3 GLY 7 HA3 GLY 7 8.998 7.831 1.581 43 H ARG 8 H ARG 8 8.583 6.222 4.549 44 HA ARG 8 HA ARG 8 7.870 3.610 3.608 45 HB2 ARG 8 HB2 ARG 8 6.882 5.172 6.049 46 HB3 ARG 8 HB3 ARG 8 6.687 3.438 5.821 47 HG2 ARG 8 HG2 ARG 8 9.198 3.257 5.629 48 HG3 ARG 8 HG3 ARG 8 9.302 4.959 6.066 49 HD2 ARG 8 HD2 ARG 8 9.342 4.222 8.221 50 HD3 ARG 8 HD3 ARG 8 7.615 3.935 8.014 51 HE ARG 8 HE ARG 8 8.777 1.630 7.017 52 HH11 ARG 8 HH11 ARG 8 9.651 3.501 9.722 53 HH12 ARG 8 HH12 ARG 8 9.724 2.169 10.826 54 HH21 ARG 8 HH21 ARG 8 8.561 -0.128 8.448 55 HH22 ARG 8 HH22 ARG 8 9.092 0.062 10.086 56 H LYS 9 H LYS 9 5.854 2.712 3.172 57 HA LYS 9 HA LYS 9 4.034 4.391 1.729 58 HB2 LYS 9 HB2 LYS 9 3.604 1.591 2.893 59 HB3 LYS 9 HB3 LYS 9 2.621 2.331 1.633 60 HG2 LYS 9 HG2 LYS 9 4.123 1.778 0.032 61 HG3 LYS 9 HG3 LYS 9 5.448 2.477 0.954 62 HD2 LYS 9 HD2 LYS 9 6.005 0.177 0.801 63 HD3 LYS 9 HD3 LYS 9 5.313 0.334 2.410 64 HE2 LYS 9 HE2 LYS 9 4.191 -1.546 1.530 65 HE3 LYS 9 HE3 LYS 9 3.051 -0.237 1.246 66 HZ1 LYS 9 HZ1 LYS 9 3.680 -1.872 -0.651 67 HZ2 LYS 9 HZ2 LYS 9 5.036 -0.863 -0.820 68 HZ3 LYS 9 HZ3 LYS 9 3.473 -0.219 -0.982 69 H LYS 10 H LYS 10 1.612 4.323 2.247 70 HA LYS 10 HA LYS 10 1.149 4.689 5.179 71 HB2 LYS 10 HB2 LYS 10 0.066 6.544 3.004 72 HB3 LYS 10 HB3 LYS 10 -0.036 6.785 4.744 73 HG2 LYS 10 HG2 LYS 10 2.639 6.536 3.356 74 HG3 LYS 10 HG3 LYS 10 1.810 8.084 3.462 75 HD2 LYS 10 HD2 LYS 10 1.602 7.541 6.006 76 HD3 LYS 10 HD3 LYS 10 2.870 6.359 5.702 77 HE2 LYS 10 HE2 LYS 10 3.811 8.547 6.414 78 HE3 LYS 10 HE3 LYS 10 4.321 8.124 4.785 79 HZ1 LYS 10 HZ1 LYS 10 2.694 9.583 3.870 80 HZ2 LYS 10 HZ2 LYS 10 3.582 10.448 5.031 81 HZ3 LYS 10 HZ3 LYS 10 2.020 9.890 5.399 82 H ARG 11 H ARG 11 -1.522 5.708 4.664 83 HA ARG 11 HA ARG 11 -2.823 3.156 3.766 84 HB2 ARG 11 HB2 ARG 11 -2.954 4.135 6.265 85 HB3 ARG 11 HB3 ARG 11 -4.195 5.165 5.561 86 HG2 ARG 11 HG2 ARG 11 -5.531 3.367 6.113 87 HG3 ARG 11 HG3 ARG 11 -4.994 2.810 4.533 88 HD2 ARG 11 HD2 ARG 11 -3.476 2.166 7.076 89 HD3 ARG 11 HD3 ARG 11 -4.747 1.122 6.443 90 HE ARG 11 HE ARG 11 -3.159 1.382 4.258 91 HH11 ARG 11 HH11 ARG 11 -1.523 1.987 7.012 92 HH12 ARG 11 HH12 ARG 11 -0.512 0.581 6.993 93 HH21 ARG 11 HH21 ARG 11 -2.335 -0.944 4.418 94 HH22 ARG 11 HH22 ARG 11 -0.985 -1.122 5.488 95 H VAL 12 H VAL 12 -5.085 3.480 2.970 96 HA VAL 12 HA VAL 12 -5.053 5.406 0.847 97 HB VAL 12 HB VAL 12 -7.312 4.543 0.348 98 HG11 VAL 12 HG11 VAL 12 -6.712 2.300 -0.042 99 HG12 VAL 12 HG12 VAL 12 -5.830 2.174 1.476 100 HG13 VAL 12 HG13 VAL 12 -5.145 3.084 0.134 101 HG21 VAL 12 HG21 VAL 12 -7.149 3.717 3.230 102 HG22 VAL 12 HG22 VAL 12 -8.119 2.749 2.124 103 HG23 VAL 12 HG23 VAL 12 -8.489 4.455 2.360 104 HA PRO 13 HA PRO 13 -6.499 8.806 3.357 105 HB2 PRO 13 HB2 PRO 13 -7.155 10.372 1.011 106 HB3 PRO 13 HB3 PRO 13 -5.735 10.519 2.026 107 HG2 PRO 13 HG2 PRO 13 -5.911 9.389 -0.653 108 HG3 PRO 13 HG3 PRO 13 -4.463 9.653 0.321 109 HD2 PRO 13 HD2 PRO 13 -5.742 7.146 -0.258 110 HD3 PRO 13 HD3 PRO 13 -4.336 7.425 0.787 111 H TYR 14 H TYR 14 -8.405 9.476 0.497 112 HA TYR 14 HA TYR 14 -10.754 9.858 0.438 113 HB2 TYR 14 HB2 TYR 14 -10.660 6.895 1.179 114 HB3 TYR 14 HB3 TYR 14 -11.851 7.702 0.158 115 HD1 TYR 14 HD1 TYR 14 -10.397 9.311 -1.672 116 HD2 TYR 14 HD2 TYR 14 -9.278 5.518 -0.109 117 HE1 TYR 14 HE1 TYR 14 -8.968 8.934 -3.622 118 HE2 TYR 14 HE2 TYR 14 -7.848 5.139 -2.059 119 HH TYR 14 HH TYR 14 -8.059 6.431 -4.778 120 H THR 15 H THR 15 -10.668 11.127 2.498 121 HA THR 15 HA THR 15 -12.216 9.671 4.631 122 HB THR 15 HB THR 15 -10.304 12.037 5.072 123 HG1 THR 15 HG1 THR 15 -9.100 10.336 4.368 124 HG21 THR 15 HG21 THR 15 -11.715 9.955 6.823 125 HG22 THR 15 HG22 THR 15 -11.745 11.704 7.018 126 HG23 THR 15 HG23 THR 15 -10.280 10.802 7.391 127 H LYS 16 H LYS 16 -13.176 11.473 6.156 128 HA LYS 16 HA LYS 16 -14.919 13.060 4.391 129 HB2 LYS 16 HB2 LYS 16 -15.242 11.667 6.870 130 HB3 LYS 16 HB3 LYS 16 -15.462 13.374 7.241 131 HG2 LYS 16 HG2 LYS 16 -17.037 13.495 5.247 132 HG3 LYS 16 HG3 LYS 16 -16.945 11.741 5.162 133 HD2 LYS 16 HD2 LYS 16 -17.518 12.838 7.859 134 HD3 LYS 16 HD3 LYS 16 -18.786 13.097 6.668 135 HE2 LYS 16 HE2 LYS 16 -18.535 10.592 6.100 136 HE3 LYS 16 HE3 LYS 16 -17.602 10.467 7.585 137 HZ1 LYS 16 HZ1 LYS 16 -20.362 11.537 7.411 138 HZ2 LYS 16 HZ2 LYS 16 -19.465 11.273 8.829 139 HZ3 LYS 16 HZ3 LYS 16 -19.963 9.954 7.883 140 H VAL 17 H VAL 17 -12.140 13.468 6.269 141 HA VAL 17 HA VAL 17 -12.662 16.294 6.947 142 HB VAL 17 HB VAL 17 -10.202 14.477 7.193 143 HG11 VAL 17 HG11 VAL 17 -9.345 16.411 8.643 144 HG12 VAL 17 HG12 VAL 17 -10.606 17.392 7.902 145 HG13 VAL 17 HG13 VAL 17 -9.337 16.690 6.905 146 HG21 VAL 17 HG21 VAL 17 -11.955 15.723 9.335 147 HG22 VAL 17 HG22 VAL 17 -10.681 14.531 9.573 148 HG23 VAL 17 HG23 VAL 17 -12.163 14.080 8.737 149 H GLN 18 H GLN 18 -11.574 14.360 4.505 150 HA GLN 18 HA GLN 18 -9.755 16.180 3.173 151 HB2 GLN 18 HB2 GLN 18 -11.220 13.597 2.611 152 HB3 GLN 18 HB3 GLN 18 -10.475 14.442 1.291 153 HG2 GLN 18 HG2 GLN 18 -8.314 14.436 2.497 154 HG3 GLN 18 HG3 GLN 18 -9.078 13.587 3.831 155 HE21 GLN 18 HE21 GLN 18 -9.349 13.107 0.272 156 HE22 GLN 18 HE22 GLN 18 -8.890 11.473 0.306 157 H LEU 19 H LEU 19 -13.060 15.010 2.454 158 HA LEU 19 HA LEU 19 -13.447 17.105 0.456 159 HB2 LEU 19 HB2 LEU 19 -15.519 15.283 1.770 160 HB3 LEU 19 HB3 LEU 19 -15.662 16.092 0.218 161 HG LEU 19 HG LEU 19 -13.912 13.757 0.964 162 HD11 LEU 19 HD11 LEU 19 -14.892 12.778 -1.017 163 HD12 LEU 19 HD12 LEU 19 -15.581 14.322 -1.505 164 HD13 LEU 19 HD13 LEU 19 -16.206 13.488 -0.086 165 HD21 LEU 19 HD21 LEU 19 -12.361 15.309 -0.034 166 HD22 LEU 19 HD22 LEU 19 -13.510 15.741 -1.294 167 HD23 LEU 19 HD23 LEU 19 -12.782 14.136 -1.275 168 H LYS 20 H LYS 20 -13.737 16.920 3.824 169 HA LYS 20 HA LYS 20 -15.835 18.998 3.933 170 HB2 LYS 20 HB2 LYS 20 -15.862 17.219 5.660 171 HB3 LYS 20 HB3 LYS 20 -14.212 17.619 6.132 172 HG2 LYS 20 HG2 LYS 20 -14.951 19.888 6.786 173 HG3 LYS 20 HG3 LYS 20 -16.598 19.487 6.315 174 HD2 LYS 20 HD2 LYS 20 -16.588 17.625 7.982 175 HD3 LYS 20 HD3 LYS 20 -14.975 18.116 8.487 176 HE2 LYS 20 HE2 LYS 20 -17.249 19.049 9.656 177 HE3 LYS 20 HE3 LYS 20 -15.748 19.964 9.606 178 HZ1 LYS 20 HZ1 LYS 20 -16.491 21.251 7.852 179 HZ2 LYS 20 HZ2 LYS 20 -17.878 21.089 8.816 180 HZ3 LYS 20 HZ3 LYS 20 -17.707 20.151 7.411 181 H GLU 21 H GLU 21 -12.341 18.635 4.432 182 HA GLU 21 HA GLU 21 -12.163 21.434 5.392 183 HB2 GLU 21 HB2 GLU 21 -10.593 19.471 6.085 184 HB3 GLU 21 HB3 GLU 21 -9.873 19.626 4.487 185 HG2 GLU 21 HG2 GLU 21 -10.189 22.148 6.048 186 HG3 GLU 21 HG3 GLU 21 -8.965 21.016 6.619 187 H LEU 22 H LEU 22 -12.188 19.644 2.577 188 HA LEU 22 HA LEU 22 -10.744 21.538 0.923 189 HB2 LEU 22 HB2 LEU 22 -10.715 19.196 0.337 190 HB3 LEU 22 HB3 LEU 22 -12.463 19.082 0.454 191 HG LEU 22 HG LEU 22 -12.742 20.463 -1.504 192 HD11 LEU 22 HD11 LEU 22 -10.833 21.981 -1.185 193 HD12 LEU 22 HD12 LEU 22 -10.724 21.231 -2.770 194 HD13 LEU 22 HD13 LEU 22 -9.705 20.660 -1.452 195 HD21 LEU 22 HD21 LEU 22 -11.247 18.983 -3.068 196 HD22 LEU 22 HD22 LEU 22 -12.505 18.216 -2.111 197 HD23 LEU 22 HD23 LEU 22 -10.825 18.148 -1.579 198 H GLU 23 H GLU 23 -14.130 20.531 1.308 199 HA GLU 23 HA GLU 23 -15.120 22.532 -0.538 200 HB2 GLU 23 HB2 GLU 23 -16.316 20.375 0.089 201 HB3 GLU 23 HB3 GLU 23 -16.606 21.050 1.688 202 HG2 GLU 23 HG2 GLU 23 -17.911 22.878 0.736 203 HG3 GLU 23 HG3 GLU 23 -17.511 22.358 -0.901 204 H ARG 24 H ARG 24 -14.161 22.572 2.755 205 HA ARG 24 HA ARG 24 -15.842 24.862 3.461 206 HB2 ARG 24 HB2 ARG 24 -13.741 23.186 4.793 207 HB3 ARG 24 HB3 ARG 24 -13.935 24.820 5.401 208 HG2 ARG 24 HG2 ARG 24 -15.401 22.900 6.435 209 HG3 ARG 24 HG3 ARG 24 -16.147 24.451 6.089 210 HD2 ARG 24 HD2 ARG 24 -16.162 22.489 3.855 211 HD3 ARG 24 HD3 ARG 24 -17.182 22.094 5.230 212 HE ARG 24 HE ARG 24 -17.741 24.140 3.299 213 HH11 ARG 24 HH11 ARG 24 -18.821 22.697 6.063 214 HH12 ARG 24 HH12 ARG 24 -19.663 24.068 6.704 215 HH21 ARG 24 HH21 ARG 24 -18.331 26.257 4.311 216 HH22 ARG 24 HH22 ARG 24 -19.378 26.137 5.685 217 H GLU 25 H GLU 25 -12.304 24.422 3.135 218 HA GLU 25 HA GLU 25 -11.760 27.214 3.280 219 HB2 GLU 25 HB2 GLU 25 -9.568 26.624 2.269 220 HB3 GLU 25 HB3 GLU 25 -10.009 25.427 3.479 221 HG2 GLU 25 HG2 GLU 25 -11.021 24.069 1.550 222 HG3 GLU 25 HG3 GLU 25 -10.172 25.173 0.470 223 H TYR 26 H TYR 26 -13.095 25.278 0.751 224 HA TYR 26 HA TYR 26 -12.328 27.151 -1.376 225 HB2 TYR 26 HB2 TYR 26 -13.004 24.581 -1.529 226 HB3 TYR 26 HB3 TYR 26 -14.649 25.180 -1.525 227 HD1 TYR 26 HD1 TYR 26 -13.171 27.804 -3.153 228 HD2 TYR 26 HD2 TYR 26 -13.864 23.656 -3.804 229 HE1 TYR 26 HE1 TYR 26 -13.024 28.164 -5.555 230 HE2 TYR 26 HE2 TYR 26 -13.724 24.027 -6.218 231 HH TYR 26 HH TYR 26 -14.133 26.075 -7.794 232 H ALA 27 H ALA 27 -15.223 26.374 0.488 233 HA ALA 27 HA ALA 27 -16.817 28.440 -0.756 234 HB1 ALA 27 HB1 ALA 27 -17.134 26.762 1.769 235 HB2 ALA 27 HB2 ALA 27 -17.962 26.539 0.232 236 HB3 ALA 27 HB3 ALA 27 -18.351 27.923 1.249 237 H THR 28 H THR 28 -14.364 28.515 1.548 238 HA THR 28 HA THR 28 -15.428 30.746 3.103 239 HB THR 28 HB THR 28 -12.619 29.492 2.925 240 HG1 THR 28 HG1 THR 28 -13.450 28.253 4.428 241 HG21 THR 28 HG21 THR 28 -12.591 31.890 3.809 242 HG22 THR 28 HG22 THR 28 -12.242 30.724 5.082 243 HG23 THR 28 HG23 THR 28 -13.844 31.447 4.962 244 H ASN 29 H ASN 29 -13.254 30.285 0.388 245 HA ASN 29 HA ASN 29 -13.444 33.198 -0.132 246 HB2 ASN 29 HB2 ASN 29 -10.801 31.657 -0.063 247 HB3 ASN 29 HB3 ASN 29 -10.986 33.363 -0.460 248 HD21 ASN 29 HD21 ASN 29 -12.501 34.478 1.436 249 HD22 ASN 29 HD22 ASN 29 -11.923 34.177 3.004 250 H LYS 30 H LYS 30 -11.172 30.911 -1.551 251 HA LYS 30 HA LYS 30 -12.842 30.222 -3.798 252 HB2 LYS 30 HB2 LYS 30 -11.440 31.597 -5.480 253 HB3 LYS 30 HB3 LYS 30 -12.554 32.537 -4.493 254 HG2 LYS 30 HG2 LYS 30 -10.591 32.863 -2.864 255 HG3 LYS 30 HG3 LYS 30 -9.563 32.245 -4.152 256 HD2 LYS 30 HD2 LYS 30 -10.610 34.009 -5.670 257 HD3 LYS 30 HD3 LYS 30 -11.322 34.708 -4.220 258 HE2 LYS 30 HE2 LYS 30 -8.361 34.141 -4.408 259 HE3 LYS 30 HE3 LYS 30 -9.043 35.655 -4.989 260 HZ1 LYS 30 HZ1 LYS 30 -10.136 35.266 -2.500 261 HZ2 LYS 30 HZ2 LYS 30 -8.917 36.372 -2.919 262 HZ3 LYS 30 HZ3 LYS 30 -8.503 34.834 -2.330 263 H PHE 31 H PHE 31 -9.458 30.996 -3.019 264 HA PHE 31 HA PHE 31 -8.786 28.186 -3.426 265 HB2 PHE 31 HB2 PHE 31 -8.542 29.834 -5.644 266 HB3 PHE 31 HB3 PHE 31 -6.930 29.954 -4.933 267 HD1 PHE 31 HD1 PHE 31 -5.759 27.762 -4.283 268 HD2 PHE 31 HD2 PHE 31 -9.188 27.855 -6.792 269 HE1 PHE 31 HE1 PHE 31 -5.353 25.437 -4.913 270 HE2 PHE 31 HE2 PHE 31 -8.756 25.535 -7.450 271 HZ PHE 31 HZ PHE 31 -6.879 24.314 -6.449 272 H ILE 32 H ILE 32 -6.572 27.725 -2.828 273 HA ILE 32 HA ILE 32 -5.638 29.679 -0.782 274 HB ILE 32 HB ILE 32 -4.542 27.100 -0.266 275 HG12 ILE 32 HG12 ILE 32 -6.738 25.815 -0.081 276 HG13 ILE 32 HG13 ILE 32 -7.465 27.015 -1.129 277 HG21 ILE 32 HG21 ILE 32 -7.013 28.501 0.880 278 HG22 ILE 32 HG22 ILE 32 -5.358 28.828 1.367 279 HG23 ILE 32 HG23 ILE 32 -6.074 27.261 1.703 280 HD11 ILE 32 HD11 ILE 32 -5.443 24.907 -1.760 281 HD12 ILE 32 HD12 ILE 32 -5.273 26.445 -2.599 282 HD13 ILE 32 HD13 ILE 32 -6.761 25.520 -2.749 283 H THR 33 H THR 33 -3.350 29.681 -0.328 284 HA THR 33 HA THR 33 -1.796 29.942 -2.755 285 HB THR 33 HB THR 33 -0.618 29.950 0.070 286 HG1 THR 33 HG1 THR 33 -1.546 31.953 0.287 287 HG21 THR 33 HG21 THR 33 -0.242 31.573 -2.515 288 HG22 THR 33 HG22 THR 33 0.953 30.513 -1.776 289 HG23 THR 33 HG23 THR 33 0.504 32.023 -0.985 290 H LYS 34 H LYS 34 0.290 28.944 -3.109 291 HA LYS 34 HA LYS 34 0.231 26.171 -3.296 292 HB2 LYS 34 HB2 LYS 34 2.532 28.141 -3.076 293 HB3 LYS 34 HB3 LYS 34 2.838 26.420 -3.289 294 HG2 LYS 34 HG2 LYS 34 2.787 27.415 -5.493 295 HG3 LYS 34 HG3 LYS 34 1.308 26.487 -5.311 296 HD2 LYS 34 HD2 LYS 34 1.238 29.348 -4.434 297 HD3 LYS 34 HD3 LYS 34 1.308 29.051 -6.164 298 HE2 LYS 34 HE2 LYS 34 -0.639 27.274 -4.935 299 HE3 LYS 34 HE3 LYS 34 -0.989 28.938 -4.513 300 HZ1 LYS 34 HZ1 LYS 34 -0.497 29.256 -7.067 301 HZ2 LYS 34 HZ2 LYS 34 -2.039 28.838 -6.487 302 HZ3 LYS 34 HZ3 LYS 34 -1.014 27.639 -7.116 303 H ASP 35 H ASP 35 1.410 28.103 -0.598 304 HA ASP 35 HA ASP 35 2.404 25.770 0.824 305 HB2 ASP 35 HB2 ASP 35 1.574 28.267 2.297 306 HB3 ASP 35 HB3 ASP 35 3.055 27.326 2.456 307 H LYS 36 H LYS 36 -0.593 27.519 0.596 308 HA LYS 36 HA LYS 36 -1.770 26.172 2.898 309 HB2 LYS 36 HB2 LYS 36 -2.822 28.020 0.730 310 HB3 LYS 36 HB3 LYS 36 -3.896 27.283 1.912 311 HG2 LYS 36 HG2 LYS 36 -2.521 28.245 3.748 312 HG3 LYS 36 HG3 LYS 36 -1.475 29.005 2.554 313 HD2 LYS 36 HD2 LYS 36 -3.622 30.112 1.637 314 HD3 LYS 36 HD3 LYS 36 -4.379 29.607 3.146 315 HE2 LYS 36 HE2 LYS 36 -2.732 30.850 4.443 316 HE3 LYS 36 HE3 LYS 36 -1.836 31.254 2.983 317 HZ1 LYS 36 HZ1 LYS 36 -4.480 32.230 3.848 318 HZ2 LYS 36 HZ2 LYS 36 -4.004 32.316 2.220 319 HZ3 LYS 36 HZ3 LYS 36 -3.104 33.125 3.412 320 H ARG 37 H ARG 37 -2.080 25.921 -0.639 321 HA ARG 37 HA ARG 37 -4.048 23.832 -0.474 322 HB2 ARG 37 HB2 ARG 37 -3.671 23.564 -2.858 323 HB3 ARG 37 HB3 ARG 37 -3.439 25.278 -2.543 324 HG2 ARG 37 HG2 ARG 37 -1.496 24.923 -3.683 325 HG3 ARG 37 HG3 ARG 37 -0.932 24.416 -2.098 326 HD2 ARG 37 HD2 ARG 37 -0.344 22.527 -3.297 327 HD3 ARG 37 HD3 ARG 37 -2.007 22.087 -2.909 328 HE ARG 37 HE ARG 37 -2.477 22.250 -5.208 329 HH11 ARG 37 HH11 ARG 37 0.641 22.326 -5.399 330 HH12 ARG 37 HH12 ARG 37 0.842 23.620 -6.534 331 HH21 ARG 37 HH21 ARG 37 -2.471 24.712 -6.178 332 HH22 ARG 37 HH22 ARG 37 -0.967 25.007 -6.985 333 H ARG 38 H ARG 38 -0.654 24.013 -0.215 334 HA ARG 38 HA ARG 38 -0.156 21.198 -0.631 335 HB2 ARG 38 HB2 ARG 38 1.658 22.832 -0.990 336 HB3 ARG 38 HB3 ARG 38 1.486 23.440 0.651 337 HG2 ARG 38 HG2 ARG 38 2.416 21.500 1.600 338 HG3 ARG 38 HG3 ARG 38 2.071 20.524 0.175 339 HD2 ARG 38 HD2 ARG 38 4.001 21.164 -0.869 340 HD3 ARG 38 HD3 ARG 38 3.835 22.840 -0.345 341 HE ARG 38 HE ARG 38 4.560 21.728 1.982 342 HH11 ARG 38 HH11 ARG 38 6.045 22.280 -0.938 343 HH12 ARG 38 HH12 ARG 38 7.449 21.313 -0.636 344 HH21 ARG 38 HH21 ARG 38 6.131 19.959 2.315 345 HH22 ARG 38 HH22 ARG 38 7.500 19.964 1.253 346 H ARG 39 H ARG 39 -0.987 23.308 2.009 347 HA ARG 39 HA ARG 39 -0.230 21.516 4.125 348 HB2 ARG 39 HB2 ARG 39 -1.059 23.222 5.468 349 HB3 ARG 39 HB3 ARG 39 -1.220 24.135 3.976 350 HG2 ARG 39 HG2 ARG 39 -3.545 23.077 3.743 351 HG3 ARG 39 HG3 ARG 39 -3.353 22.526 5.400 352 HD2 ARG 39 HD2 ARG 39 -2.613 25.321 5.199 353 HD3 ARG 39 HD3 ARG 39 -4.232 25.077 4.550 354 HE ARG 39 HE ARG 39 -3.445 24.764 7.345 355 HH11 ARG 39 HH11 ARG 39 -5.585 23.998 4.781 356 HH12 ARG 39 HH12 ARG 39 -6.893 23.521 5.812 357 HH21 ARG 39 HH21 ARG 39 -5.062 24.121 8.741 358 HH22 ARG 39 HH22 ARG 39 -6.588 23.593 8.115 359 H ILE 40 H ILE 40 -2.970 21.920 2.034 360 HA ILE 40 HA ILE 40 -4.760 20.193 3.441 361 HB ILE 40 HB ILE 40 -4.487 20.724 0.449 362 HG12 ILE 40 HG12 ILE 40 -6.316 22.088 2.444 363 HG13 ILE 40 HG13 ILE 40 -4.786 22.769 1.910 364 HG21 ILE 40 HG21 ILE 40 -6.897 20.087 0.427 365 HG22 ILE 40 HG22 ILE 40 -6.819 19.770 2.153 366 HG23 ILE 40 HG23 ILE 40 -5.902 18.773 1.032 367 HD11 ILE 40 HD11 ILE 40 -7.258 22.225 0.248 368 HD12 ILE 40 HD12 ILE 40 -5.694 22.445 -0.493 369 HD13 ILE 40 HD13 ILE 40 -6.397 23.738 0.445 370 H SER 41 H SER 41 -3.033 19.527 0.366 371 HA SER 41 HA SER 41 -3.261 16.783 0.246 372 HB2 SER 41 HB2 SER 41 -1.848 17.571 -1.478 373 HB3 SER 41 HB3 SER 41 -0.973 18.662 -0.400 374 HG SER 41 HG SER 41 0.217 17.020 0.321 375 H ALA 42 H ALA 42 -1.313 18.536 2.572 376 HA ALA 42 HA ALA 42 0.014 16.101 3.527 377 HB1 ALA 42 HB1 ALA 42 -0.126 18.968 4.579 378 HB2 ALA 42 HB2 ALA 42 1.214 18.236 3.702 379 HB3 ALA 42 HB3 ALA 42 0.838 17.705 5.338 380 H THR 43 H THR 43 -2.788 17.957 4.214 381 HA THR 43 HA THR 43 -3.220 16.586 6.806 382 HB THR 43 HB THR 43 -5.040 18.600 5.343 383 HG1 THR 43 HG1 THR 43 -3.087 19.050 7.355 384 HG21 THR 43 HG21 THR 43 -4.833 17.377 8.094 385 HG22 THR 43 HG22 THR 43 -6.271 17.934 7.246 386 HG23 THR 43 HG23 THR 43 -5.203 19.096 8.025 387 H THR 44 H THR 44 -4.162 16.644 3.523 388 HA THR 44 HA THR 44 -6.392 14.783 3.974 389 HB THR 44 HB THR 44 -6.611 15.202 1.404 390 HG1 THR 44 HG1 THR 44 -4.783 17.236 1.980 391 HG21 THR 44 HG21 THR 44 -7.494 17.431 1.721 392 HG22 THR 44 HG22 THR 44 -6.291 17.800 2.952 393 HG23 THR 44 HG23 THR 44 -7.630 16.720 3.325 394 H ASN 45 H ASN 45 -3.114 14.926 2.937 395 HA ASN 45 HA ASN 45 -1.574 13.189 2.668 396 HB2 ASN 45 HB2 ASN 45 -3.468 11.926 4.083 397 HB3 ASN 45 HB3 ASN 45 -3.725 11.085 2.564 398 HD21 ASN 45 HD21 ASN 45 -2.590 9.161 2.583 399 HD22 ASN 45 HD22 ASN 45 -1.017 8.960 3.190 400 H LEU 46 H LEU 46 -1.875 14.449 0.416 401 HA LEU 46 HA LEU 46 -1.919 12.211 -1.543 402 HB2 LEU 46 HB2 LEU 46 -3.196 14.263 -3.021 403 HB3 LEU 46 HB3 LEU 46 -3.937 12.778 -2.470 404 HG LEU 46 HG LEU 46 -4.069 14.487 -0.229 405 HD11 LEU 46 HD11 LEU 46 -3.466 16.254 -2.010 406 HD12 LEU 46 HD12 LEU 46 -4.894 16.560 -1.040 407 HD13 LEU 46 HD13 LEU 46 -5.062 15.947 -2.671 408 HD21 LEU 46 HD21 LEU 46 -6.241 14.129 -2.307 409 HD22 LEU 46 HD22 LEU 46 -6.428 14.278 -0.565 410 HD23 LEU 46 HD23 LEU 46 -5.750 12.811 -1.248 411 H SER 47 H SER 47 -1.729 13.898 -3.857 412 HA SER 47 HA SER 47 1.074 14.537 -3.597 413 HB2 SER 47 HB2 SER 47 0.213 13.620 -5.728 414 HB3 SER 47 HB3 SER 47 -0.903 14.990 -5.882 415 HG SER 47 HG SER 47 0.801 15.809 -6.876 416 H GLU 48 H GLU 48 -0.456 16.639 -5.598 417 HA GLU 48 HA GLU 48 -0.931 18.776 -3.731 418 HB2 GLU 48 HB2 GLU 48 1.645 18.523 -5.308 419 HB3 GLU 48 HB3 GLU 48 0.988 20.117 -4.978 420 HG2 GLU 48 HG2 GLU 48 0.813 19.106 -2.484 421 HG3 GLU 48 HG3 GLU 48 2.153 18.121 -3.079 422 H ARG 49 H ARG 49 0.293 18.330 -7.030 423 HA ARG 49 HA ARG 49 -1.388 20.256 -8.196 424 HB2 ARG 49 HB2 ARG 49 0.571 18.680 -9.202 425 HB3 ARG 49 HB3 ARG 49 -0.802 17.685 -9.678 426 HG2 ARG 49 HG2 ARG 49 -1.830 19.674 -10.775 427 HG3 ARG 49 HG3 ARG 49 -0.409 20.621 -10.350 428 HD2 ARG 49 HD2 ARG 49 0.290 19.947 -12.435 429 HD3 ARG 49 HD3 ARG 49 0.796 18.510 -11.550 430 HE ARG 49 HE ARG 49 -1.963 18.330 -12.456 431 HH11 ARG 49 HH11 ARG 49 1.168 17.153 -12.590 432 HH12 ARG 49 HH12 ARG 49 1.010 16.367 -14.126 433 HH21 ARG 49 HH21 ARG 49 -2.165 17.729 -14.719 434 HH22 ARG 49 HH22 ARG 49 -0.927 16.702 -15.364 435 H GLN 50 H GLN 50 -1.882 17.226 -6.802 436 HA GLN 50 HA GLN 50 -4.342 16.509 -8.144 437 HB2 GLN 50 HB2 GLN 50 -2.988 14.782 -7.022 438 HB3 GLN 50 HB3 GLN 50 -3.055 15.660 -5.498 439 HG2 GLN 50 HG2 GLN 50 -5.299 15.114 -5.129 440 HG3 GLN 50 HG3 GLN 50 -5.621 14.849 -6.842 441 HE21 GLN 50 HE21 GLN 50 -3.296 13.148 -7.345 442 HE22 GLN 50 HE22 GLN 50 -3.570 11.674 -6.549 443 H VAL 51 H VAL 51 -3.435 18.135 -5.115 444 HA VAL 51 HA VAL 51 -6.072 18.405 -4.102 445 HB VAL 51 HB VAL 51 -4.009 20.575 -3.810 446 HG11 VAL 51 HG11 VAL 51 -5.924 19.325 -1.824 447 HG12 VAL 51 HG12 VAL 51 -6.308 20.737 -2.801 448 HG13 VAL 51 HG13 VAL 51 -5.008 20.804 -1.635 449 HG21 VAL 51 HG21 VAL 51 -3.264 17.980 -3.420 450 HG22 VAL 51 HG22 VAL 51 -3.956 18.359 -1.848 451 HG23 VAL 51 HG23 VAL 51 -2.633 19.325 -2.480 452 H THR 52 H THR 52 -4.010 20.411 -6.008 453 HA THR 52 HA THR 52 -5.644 22.579 -6.500 454 HB THR 52 HB THR 52 -4.226 21.563 -8.888 455 HG1 THR 52 HG1 THR 52 -2.232 21.804 -7.444 456 HG21 THR 52 HG21 THR 52 -4.383 23.995 -8.537 457 HG22 THR 52 HG22 THR 52 -2.705 23.558 -8.235 458 HG23 THR 52 HG23 THR 52 -3.801 23.835 -6.885 459 H ILE 53 H ILE 53 -5.452 19.456 -8.056 460 HA ILE 53 HA ILE 53 -7.538 20.016 -9.964 461 HB ILE 53 HB ILE 53 -5.694 17.837 -9.234 462 HG12 ILE 53 HG12 ILE 53 -5.901 19.187 -11.385 463 HG13 ILE 53 HG13 ILE 53 -5.702 17.448 -11.569 464 HG21 ILE 53 HG21 ILE 53 -7.688 16.597 -8.525 465 HG22 ILE 53 HG22 ILE 53 -7.256 16.005 -10.128 466 HG23 ILE 53 HG23 ILE 53 -8.591 17.138 -9.938 467 HD11 ILE 53 HD11 ILE 53 -8.447 18.716 -11.462 468 HD12 ILE 53 HD12 ILE 53 -8.006 17.128 -12.079 469 HD13 ILE 53 HD13 ILE 53 -7.560 18.576 -12.976 470 H TRP 54 H TRP 54 -7.311 18.833 -6.721 471 HA TRP 54 HA TRP 54 -9.846 17.574 -6.499 472 HB2 TRP 54 HB2 TRP 54 -7.792 17.865 -4.825 473 HB3 TRP 54 HB3 TRP 54 -8.693 19.246 -4.251 474 HD1 TRP 54 HD1 TRP 54 -11.461 17.404 -5.037 475 HE1 TRP 54 HE1 TRP 54 -11.995 15.581 -3.348 476 HE3 TRP 54 HE3 TRP 54 -7.295 17.695 -2.453 477 HZ2 TRP 54 HZ2 TRP 54 -10.635 14.418 -0.907 478 HZ3 TRP 54 HZ3 TRP 54 -6.925 16.399 -0.410 479 HH2 TRP 54 HH2 TRP 54 -8.561 14.762 0.350 480 H PHE 55 H PHE 55 -8.648 20.859 -6.196 481 HA PHE 55 HA PHE 55 -11.188 21.948 -5.395 482 HB2 PHE 55 HB2 PHE 55 -8.624 23.021 -6.564 483 HB3 PHE 55 HB3 PHE 55 -10.020 24.087 -6.429 484 HD1 PHE 55 HD1 PHE 55 -11.225 24.131 -4.133 485 HD2 PHE 55 HD2 PHE 55 -7.281 22.628 -4.679 486 HE1 PHE 55 HE1 PHE 55 -10.837 24.259 -1.723 487 HE2 PHE 55 HE2 PHE 55 -6.903 22.768 -2.271 488 HZ PHE 55 HZ PHE 55 -8.663 23.614 -0.784 489 H GLN 56 H GLN 56 -9.674 21.377 -8.513 490 HA GLN 56 HA GLN 56 -11.714 22.770 -10.028 491 HB2 GLN 56 HB2 GLN 56 -9.245 21.566 -10.543 492 HB3 GLN 56 HB3 GLN 56 -10.370 20.543 -11.413 493 HG2 GLN 56 HG2 GLN 56 -11.265 22.456 -12.614 494 HG3 GLN 56 HG3 GLN 56 -10.317 23.570 -11.634 495 HE21 GLN 56 HE21 GLN 56 -7.816 23.010 -11.709 496 HE22 GLN 56 HE22 GLN 56 -7.199 22.636 -13.246 497 H ASN 57 H ASN 57 -11.370 19.574 -8.715 498 HA ASN 57 HA ASN 57 -13.490 18.437 -10.353 499 HB2 ASN 57 HB2 ASN 57 -11.792 17.534 -8.007 500 HB3 ASN 57 HB3 ASN 57 -13.284 16.660 -8.339 501 HD21 ASN 57 HD21 ASN 57 -11.274 18.172 -10.853 502 HD22 ASN 57 HD22 ASN 57 -10.799 16.719 -11.589 503 H ARG 58 H ARG 58 -13.026 20.167 -7.518 504 HA ARG 58 HA ARG 58 -15.638 19.577 -6.387 505 HB2 ARG 58 HB2 ARG 58 -13.160 21.031 -5.679 506 HB3 ARG 58 HB3 ARG 58 -14.592 21.917 -5.231 507 HG2 ARG 58 HG2 ARG 58 -14.023 19.029 -4.483 508 HG3 ARG 58 HG3 ARG 58 -13.845 20.405 -3.399 509 HD2 ARG 58 HD2 ARG 58 -16.389 20.826 -4.232 510 HD3 ARG 58 HD3 ARG 58 -16.324 19.070 -4.361 511 HE ARG 58 HE ARG 58 -16.290 20.597 -1.879 512 HH11 ARG 58 HH11 ARG 58 -17.595 17.951 -2.249 513 HH12 ARG 58 HH12 ARG 58 -16.541 16.883 -1.385 514 HH21 ARG 58 HH21 ARG 58 -13.915 19.203 -1.320 515 HH22 ARG 58 HH22 ARG 58 -14.402 17.610 -0.847 516 H ARG 59 H ARG 59 -14.162 21.641 -8.703 517 HA ARG 59 HA ARG 59 -16.300 23.704 -8.522 518 HB2 ARG 59 HB2 ARG 59 -13.705 23.947 -9.232 519 HB3 ARG 59 HB3 ARG 59 -14.330 23.500 -10.816 520 HG2 ARG 59 HG2 ARG 59 -15.897 25.362 -10.779 521 HG3 ARG 59 HG3 ARG 59 -15.454 25.754 -9.122 522 HD2 ARG 59 HD2 ARG 59 -14.336 27.020 -11.207 523 HD3 ARG 59 HD3 ARG 59 -13.420 26.680 -9.739 524 HE ARG 59 HE ARG 59 -12.615 24.583 -10.962 525 HH11 ARG 59 HH11 ARG 59 -14.476 26.573 -12.922 526 HH12 ARG 59 HH12 ARG 59 -13.355 26.636 -14.240 527 HH21 ARG 59 HH21 ARG 59 -10.846 24.966 -12.451 528 HH22 ARG 59 HH22 ARG 59 -11.247 25.702 -13.967 529 H VAL 60 H VAL 60 -15.546 20.806 -10.008 530 HA VAL 60 HA VAL 60 -17.408 21.192 -12.244 531 HB VAL 60 HB VAL 60 -15.036 19.730 -11.815 532 HG11 VAL 60 HG11 VAL 60 -16.513 18.031 -10.606 533 HG12 VAL 60 HG12 VAL 60 -15.575 17.389 -11.946 534 HG13 VAL 60 HG13 VAL 60 -17.290 17.725 -12.151 535 HG21 VAL 60 HG21 VAL 60 -15.461 18.872 -14.103 536 HG22 VAL 60 HG22 VAL 60 -15.909 20.569 -13.977 537 HG23 VAL 60 HG23 VAL 60 -17.156 19.327 -13.961 538 H LYS 61 H LYS 61 -17.241 19.882 -9.073 539 HA LYS 61 HA LYS 61 -19.634 18.195 -9.436 540 HB2 LYS 61 HB2 LYS 61 -17.497 17.810 -7.871 541 HB3 LYS 61 HB3 LYS 61 -18.394 18.827 -6.749 542 HG2 LYS 61 HG2 LYS 61 -20.358 17.306 -6.984 543 HG3 LYS 61 HG3 LYS 61 -19.404 16.267 -8.036 544 HD2 LYS 61 HD2 LYS 61 -17.969 15.608 -6.294 545 HD3 LYS 61 HD3 LYS 61 -18.364 17.011 -5.308 546 HE2 LYS 61 HE2 LYS 61 -20.586 15.133 -6.005 547 HE3 LYS 61 HE3 LYS 61 -19.420 14.603 -4.800 548 HZ1 LYS 61 HZ1 LYS 61 -21.558 16.346 -4.460 549 HZ2 LYS 61 HZ2 LYS 61 -20.141 17.262 -4.266 550 HZ3 LYS 61 HZ3 LYS 61 -20.397 15.880 -3.312 551 H GLU 62 H GLU 62 -18.855 21.408 -8.425 552 HA GLU 62 HA GLU 62 -21.168 21.776 -6.715 553 HB2 GLU 62 HB2 GLU 62 -20.476 24.075 -6.682 554 HB3 GLU 62 HB3 GLU 62 -18.971 23.195 -6.902 555 HG2 GLU 62 HG2 GLU 62 -19.222 23.492 -9.379 556 HG3 GLU 62 HG3 GLU 62 -20.607 24.520 -9.071 557 H LYS 63 H LYS 63 -20.425 22.235 -10.102 558 HA LYS 63 HA LYS 63 -23.039 23.443 -10.619 559 HB2 LYS 63 HB2 LYS 63 -22.290 23.511 -12.953 560 HB3 LYS 63 HB3 LYS 63 -20.930 23.980 -11.943 561 HG2 LYS 63 HG2 LYS 63 -20.029 21.693 -12.058 562 HG3 LYS 63 HG3 LYS 63 -21.412 21.180 -13.019 563 HD2 LYS 63 HD2 LYS 63 -20.792 22.700 -14.819 564 HD3 LYS 63 HD3 LYS 63 -19.494 23.380 -13.844 565 HE2 LYS 63 HE2 LYS 63 -18.991 20.641 -13.774 566 HE3 LYS 63 HE3 LYS 63 -19.531 20.918 -15.426 567 HZ1 LYS 63 HZ1 LYS 63 -17.873 22.582 -15.716 568 HZ2 LYS 63 HZ2 LYS 63 -17.117 21.191 -15.100 569 HZ3 LYS 63 HZ3 LYS 63 -17.427 22.513 -14.078 570 H LYS 64 H LYS 64 -21.634 20.278 -10.680 571 HA LYS 64 HA LYS 64 -23.181 18.837 -12.458 572 HB2 LYS 64 HB2 LYS 64 -21.678 17.515 -11.200 573 HB3 LYS 64 HB3 LYS 64 -22.143 18.254 -9.675 574 HG2 LYS 64 HG2 LYS 64 -24.247 17.045 -9.651 575 HG3 LYS 64 HG3 LYS 64 -23.976 16.449 -11.284 576 HD2 LYS 64 HD2 LYS 64 -22.769 14.707 -10.495 577 HD3 LYS 64 HD3 LYS 64 -21.697 15.799 -9.626 578 HE2 LYS 64 HE2 LYS 64 -22.865 14.224 -8.089 579 HE3 LYS 64 HE3 LYS 64 -23.277 15.900 -7.749 580 HZ1 LYS 64 HZ1 LYS 64 -25.358 15.139 -7.856 581 HZ2 LYS 64 HZ2 LYS 64 -24.935 13.756 -8.747 582 HZ3 LYS 64 HZ3 LYS 64 -25.150 15.244 -9.538 583 H VAL 65 H VAL 65 -24.288 20.551 -9.692 584 HA VAL 65 HA VAL 65 -26.700 19.106 -9.181 585 HB VAL 65 HB VAL 65 -25.779 21.969 -8.742 586 HG11 VAL 65 HG11 VAL 65 -27.953 22.221 -7.410 587 HG12 VAL 65 HG12 VAL 65 -28.539 20.804 -8.275 588 HG13 VAL 65 HG13 VAL 65 -28.127 22.268 -9.163 589 HG21 VAL 65 HG21 VAL 65 -25.635 21.315 -6.483 590 HG22 VAL 65 HG22 VAL 65 -25.141 19.855 -7.334 591 HG23 VAL 65 HG23 VAL 65 -26.776 19.990 -6.695 592 H ILE 66 H ILE 66 -25.778 21.067 -11.822 593 HA ILE 66 HA ILE 66 -28.222 22.235 -12.609 594 HB ILE 66 HB ILE 66 -25.804 21.148 -14.088 595 HG12 ILE 66 HG12 ILE 66 -27.082 23.898 -14.139 596 HG13 ILE 66 HG13 ILE 66 -25.924 23.413 -12.906 597 HG21 ILE 66 HG21 ILE 66 -27.488 20.633 -15.719 598 HG22 ILE 66 HG22 ILE 66 -27.004 22.265 -16.167 599 HG23 ILE 66 HG23 ILE 66 -28.487 22.006 -15.256 600 HD11 ILE 66 HD11 ILE 66 -24.489 24.336 -14.495 601 HD12 ILE 66 HD12 ILE 66 -25.495 23.831 -15.849 602 HD13 ILE 66 HD13 ILE 66 -24.491 22.653 -15.010 603 H ASN 67 H ASN 67 -27.004 18.956 -13.221 604 HA ASN 67 HA ASN 67 -28.914 17.965 -14.957 605 HB2 ASN 67 HB2 ASN 67 -27.040 16.620 -13.946 606 HB3 ASN 67 HB3 ASN 67 -27.923 16.564 -12.422 607 HD21 ASN 67 HD21 ASN 67 -29.224 16.255 -15.753 608 HD22 ASN 67 HD22 ASN 67 -29.851 14.694 -15.531 609 H LYS 68 H LYS 68 -29.340 17.090 -11.560 610 HA LYS 68 HA LYS 68 -32.158 16.790 -11.802 611 HB2 LYS 68 HB2 LYS 68 -30.773 17.546 -9.200 612 HB3 LYS 68 HB3 LYS 68 -32.126 16.444 -9.432 613 HG2 LYS 68 HG2 LYS 68 -30.366 15.128 -10.926 614 HG3 LYS 68 HG3 LYS 68 -29.203 15.988 -9.924 615 HD2 LYS 68 HD2 LYS 68 -30.096 15.045 -7.910 616 HD3 LYS 68 HD3 LYS 68 -31.527 14.445 -8.744 617 HE2 LYS 68 HE2 LYS 68 -28.686 13.517 -9.288 618 HE3 LYS 68 HE3 LYS 68 -29.862 12.638 -8.318 619 HZ1 LYS 68 HZ1 LYS 68 -29.765 13.043 -11.208 620 HZ2 LYS 68 HZ2 LYS 68 -31.295 12.948 -10.476 621 HZ3 LYS 68 HZ3 LYS 68 -30.195 11.664 -10.316 622 H LEU 69 H LEU 69 -33.700 18.047 -10.330 623 HA LEU 69 HA LEU 69 -34.912 20.046 -10.141 624 HB2 LEU 69 HB2 LEU 69 -32.085 20.712 -9.257 625 HB3 LEU 69 HB3 LEU 69 -33.326 21.961 -9.256 626 HG LEU 69 HG LEU 69 -33.714 19.272 -7.912 627 HD11 LEU 69 HD11 LEU 69 -33.090 20.321 -5.818 628 HD12 LEU 69 HD12 LEU 69 -32.898 21.885 -6.603 629 HD13 LEU 69 HD13 LEU 69 -31.769 20.579 -6.954 630 HD21 LEU 69 HD21 LEU 69 -35.826 20.232 -8.142 631 HD22 LEU 69 HD22 LEU 69 -35.197 21.876 -8.091 632 HD23 LEU 69 HD23 LEU 69 -35.327 20.936 -6.608 633 H LYS 70 H LYS 70 -35.064 19.934 -12.563 634 HA LYS 70 HA LYS 70 -33.423 21.395 -14.321 635 HB2 LYS 70 HB2 LYS 70 -36.104 20.247 -14.324 636 HB3 LYS 70 HB3 LYS 70 -36.141 21.809 -15.134 637 HG2 LYS 70 HG2 LYS 70 -34.000 19.770 -15.759 638 HG3 LYS 70 HG3 LYS 70 -35.560 19.734 -16.572 639 HD2 LYS 70 HD2 LYS 70 -34.179 22.376 -16.436 640 HD3 LYS 70 HD3 LYS 70 -33.483 21.172 -17.515 641 HE2 LYS 70 HE2 LYS 70 -35.689 20.865 -18.596 642 HE3 LYS 70 HE3 LYS 70 -36.385 22.069 -17.518 643 HZ1 LYS 70 HZ1 LYS 70 -34.292 22.494 -19.571 644 HZ2 LYS 70 HZ2 LYS 70 -34.731 23.664 -18.420 645 HZ3 LYS 70 HZ3 LYS 70 -35.870 23.123 -19.558 646 H THR 71 H THR 71 -33.596 23.512 -15.181 647 HA THR 71 HA THR 71 -33.964 25.553 -13.222 648 HB THR 71 HB THR 71 -32.505 25.932 -15.209 649 HG1 THR 71 HG1 THR 71 -34.135 27.547 -14.211 650 HG21 THR 71 HG21 THR 71 -34.829 26.389 -17.029 651 HG22 THR 71 HG22 THR 71 -34.575 24.688 -16.652 652 HG23 THR 71 HG23 THR 71 -33.285 25.627 -17.397 653 H THR 72 H THR 72 -35.846 26.127 -12.371 654 HA THR 72 HA THR 72 -38.040 26.928 -14.132 655 HB THR 72 HB THR 72 -38.244 24.484 -12.279 656 HG1 THR 72 HG1 THR 72 -37.639 24.654 -14.672 657 HG21 THR 72 HG21 THR 72 -40.704 24.589 -13.240 658 HG22 THR 72 HG22 THR 72 -40.378 26.296 -13.522 659 HG23 THR 72 HG23 THR 72 -40.344 25.651 -11.883 660 H SER 73 H SER 73 -37.764 28.935 -13.137 661 HA SER 73 HA SER 73 -38.115 30.576 -11.504 662 HB2 SER 73 HB2 SER 73 -40.438 29.342 -11.722 663 HB3 SER 73 HB3 SER 73 -40.018 28.609 -10.161 664 HG SER 73 HG SER 73 -39.579 31.346 -10.526 Start of MODEL 11 1 HA MET 1 HA MET 1 8.313 -14.391 1.447 2 H SER 2 H SER 2 5.509 -13.075 0.539 3 HA SER 2 HA SER 2 6.195 -10.475 1.667 4 HB2 SER 2 HB2 SER 2 5.149 -10.936 -0.674 5 HB3 SER 2 HB3 SER 2 3.613 -11.179 0.181 6 HG SER 2 HG SER 2 3.719 -9.017 -0.197 7 H HIS 3 H HIS 3 4.251 -9.122 2.504 8 HA HIS 3 HA HIS 3 2.254 -10.533 4.057 9 HB2 HIS 3 HB2 HIS 3 3.300 -9.559 6.283 10 HB3 HIS 3 HB3 HIS 3 3.984 -11.043 5.628 11 HD1 HIS 3 HD1 HIS 3 6.393 -10.747 5.952 12 HD2 HIS 3 HD2 HIS 3 4.794 -7.295 4.548 13 HE1 HIS 3 HE1 HIS 3 8.296 -9.294 5.582 14 H MET 4 H MET 4 1.640 -8.692 2.350 15 HA MET 4 HA MET 4 1.637 -6.032 3.642 16 HB2 MET 4 HB2 MET 4 0.474 -5.345 1.499 17 HB3 MET 4 HB3 MET 4 2.010 -6.146 1.193 18 HG2 MET 4 HG2 MET 4 -0.546 -7.719 1.311 19 HG3 MET 4 HG3 MET 4 -0.114 -6.867 -0.145 20 HE1 MET 4 HE1 MET 4 0.229 -9.967 1.995 21 HE2 MET 4 HE2 MET 4 0.569 -11.026 0.627 22 HE3 MET 4 HE3 MET 4 -0.808 -9.926 0.570 23 H LEU 5 H LEU 5 -1.062 -5.840 2.010 24 HA LEU 5 HA LEU 5 -2.869 -7.247 3.852 25 HB2 LEU 5 HB2 LEU 5 -2.338 -5.238 5.165 26 HB3 LEU 5 HB3 LEU 5 -2.613 -4.200 3.772 27 HG LEU 5 HG LEU 5 -4.967 -4.675 3.771 28 HD11 LEU 5 HD11 LEU 5 -5.072 -7.016 4.164 29 HD12 LEU 5 HD12 LEU 5 -5.831 -6.313 5.589 30 HD13 LEU 5 HD13 LEU 5 -4.170 -6.889 5.671 31 HD21 LEU 5 HD21 LEU 5 -5.633 -3.911 5.995 32 HD22 LEU 5 HD22 LEU 5 -4.139 -3.097 5.542 33 HD23 LEU 5 HD23 LEU 5 -4.098 -4.445 6.673 34 H GLU 6 H GLU 6 -3.863 -8.181 2.115 35 HA GLU 6 HA GLU 6 -4.802 -6.496 -0.110 36 HB2 GLU 6 HB2 GLU 6 -5.251 -9.466 0.482 37 HB3 GLU 6 HB3 GLU 6 -5.593 -8.663 -1.045 38 HG2 GLU 6 HG2 GLU 6 -3.192 -8.077 -1.270 39 HG3 GLU 6 HG3 GLU 6 -2.856 -8.898 0.252 40 H GLY 7 H GLY 7 -7.137 -8.493 -0.279 41 HA2 GLY 7 HA2 GLY 7 -9.406 -8.506 0.327 42 HA3 GLY 7 HA3 GLY 7 -8.907 -7.898 1.904 43 H ARG 8 H ARG 8 -8.075 -5.491 1.704 44 HA ARG 8 HA ARG 8 -9.491 -3.898 -0.298 45 HB2 ARG 8 HB2 ARG 8 -10.857 -2.692 1.473 46 HB3 ARG 8 HB3 ARG 8 -11.342 -4.369 1.254 47 HG2 ARG 8 HG2 ARG 8 -10.006 -5.042 3.198 48 HG3 ARG 8 HG3 ARG 8 -9.418 -3.394 3.392 49 HD2 ARG 8 HD2 ARG 8 -11.642 -4.405 4.659 50 HD3 ARG 8 HD3 ARG 8 -11.361 -2.689 4.367 51 HE ARG 8 HE ARG 8 -12.810 -4.310 2.323 52 HH11 ARG 8 HH11 ARG 8 -12.123 -1.288 3.543 53 HH12 ARG 8 HH12 ARG 8 -13.746 -0.686 3.504 54 HH21 ARG 8 HH21 ARG 8 -15.105 -3.817 2.712 55 HH22 ARG 8 HH22 ARG 8 -15.478 -2.155 3.021 56 H LYS 9 H LYS 9 -8.915 -1.687 -0.240 57 HA LYS 9 HA LYS 9 -6.259 -1.195 0.746 58 HB2 LYS 9 HB2 LYS 9 -6.871 1.238 0.078 59 HB3 LYS 9 HB3 LYS 9 -6.998 0.039 -1.204 60 HG2 LYS 9 HG2 LYS 9 -9.291 0.173 -1.282 61 HG3 LYS 9 HG3 LYS 9 -9.437 0.413 0.455 62 HD2 LYS 9 HD2 LYS 9 -8.907 2.730 0.290 63 HD3 LYS 9 HD3 LYS 9 -8.283 2.552 -1.345 64 HE2 LYS 9 HE2 LYS 9 -10.434 3.494 -1.662 65 HE3 LYS 9 HE3 LYS 9 -10.681 1.779 -1.964 66 HZ1 LYS 9 HZ1 LYS 9 -11.353 1.583 0.406 67 HZ2 LYS 9 HZ2 LYS 9 -12.403 2.516 -0.548 68 HZ3 LYS 9 HZ3 LYS 9 -11.315 3.278 0.510 69 H LYS 10 H LYS 10 -5.552 0.090 2.440 70 HA LYS 10 HA LYS 10 -7.600 1.171 4.298 71 HB2 LYS 10 HB2 LYS 10 -6.972 -1.225 4.957 72 HB3 LYS 10 HB3 LYS 10 -5.330 -0.653 5.224 73 HG2 LYS 10 HG2 LYS 10 -6.426 1.144 6.748 74 HG3 LYS 10 HG3 LYS 10 -7.846 0.105 6.712 75 HD2 LYS 10 HD2 LYS 10 -6.787 -0.845 8.526 76 HD3 LYS 10 HD3 LYS 10 -5.986 -1.763 7.255 77 HE2 LYS 10 HE2 LYS 10 -4.325 -0.830 8.823 78 HE3 LYS 10 HE3 LYS 10 -4.140 -0.110 7.229 79 HZ1 LYS 10 HZ1 LYS 10 -4.054 1.533 9.008 80 HZ2 LYS 10 HZ2 LYS 10 -5.628 1.111 9.486 81 HZ3 LYS 10 HZ3 LYS 10 -5.363 1.811 7.961 82 H ARG 11 H ARG 11 -4.230 0.935 3.315 83 HA ARG 11 HA ARG 11 -3.416 3.105 5.104 84 HB2 ARG 11 HB2 ARG 11 -2.025 1.710 2.762 85 HB3 ARG 11 HB3 ARG 11 -1.246 2.916 3.782 86 HG2 ARG 11 HG2 ARG 11 -2.173 1.311 5.720 87 HG3 ARG 11 HG3 ARG 11 -2.056 0.115 4.436 88 HD2 ARG 11 HD2 ARG 11 0.200 1.956 5.309 89 HD3 ARG 11 HD3 ARG 11 0.053 0.256 5.750 90 HE ARG 11 HE ARG 11 1.111 1.208 3.278 91 HH11 ARG 11 HH11 ARG 11 -0.804 -1.184 4.794 92 HH12 ARG 11 HH12 ARG 11 -0.728 -2.303 3.475 93 HH21 ARG 11 HH21 ARG 11 1.141 -0.120 1.469 94 HH22 ARG 11 HH22 ARG 11 0.403 -1.685 1.542 95 H VAL 12 H VAL 12 -5.556 3.475 3.046 96 HA VAL 12 HA VAL 12 -4.337 5.779 1.572 97 HB VAL 12 HB VAL 12 -6.855 4.218 0.847 98 HG11 VAL 12 HG11 VAL 12 -6.387 5.297 -1.397 99 HG12 VAL 12 HG12 VAL 12 -5.130 6.246 -0.610 100 HG13 VAL 12 HG13 VAL 12 -6.813 6.437 -0.124 101 HG21 VAL 12 HG21 VAL 12 -4.989 2.682 0.685 102 HG22 VAL 12 HG22 VAL 12 -3.991 3.901 -0.103 103 HG23 VAL 12 HG23 VAL 12 -5.376 3.215 -0.947 104 HA PRO 13 HA PRO 13 -7.106 7.662 4.677 105 HB2 PRO 13 HB2 PRO 13 -5.853 10.163 3.724 106 HB3 PRO 13 HB3 PRO 13 -5.905 9.503 5.359 107 HG2 PRO 13 HG2 PRO 13 -3.633 9.522 3.675 108 HG3 PRO 13 HG3 PRO 13 -3.816 8.508 5.108 109 HD2 PRO 13 HD2 PRO 13 -3.911 7.732 2.271 110 HD3 PRO 13 HD3 PRO 13 -3.779 6.685 3.699 111 H TYR 14 H TYR 14 -9.058 8.386 4.290 112 HA TYR 14 HA TYR 14 -9.765 10.271 2.244 113 HB2 TYR 14 HB2 TYR 14 -9.320 8.139 0.875 114 HB3 TYR 14 HB3 TYR 14 -10.646 7.379 1.750 115 HD1 TYR 14 HD1 TYR 14 -9.778 10.116 -0.588 116 HD2 TYR 14 HD2 TYR 14 -12.939 7.940 1.244 117 HE1 TYR 14 HE1 TYR 14 -11.381 11.138 -2.138 118 HE2 TYR 14 HE2 TYR 14 -14.542 8.962 -0.305 119 HH TYR 14 HH TYR 14 -14.177 10.051 -2.877 120 H THR 15 H THR 15 -10.734 11.112 4.159 121 HA THR 15 HA THR 15 -13.328 9.719 4.803 122 HB THR 15 HB THR 15 -11.967 11.337 6.968 123 HG1 THR 15 HG1 THR 15 -10.453 9.814 7.222 124 HG21 THR 15 HG21 THR 15 -13.408 8.625 6.781 125 HG22 THR 15 HG22 THR 15 -14.065 10.091 7.502 126 HG23 THR 15 HG23 THR 15 -12.722 9.255 8.275 127 H LYS 16 H LYS 16 -13.910 11.795 6.786 128 HA LYS 16 HA LYS 16 -15.057 13.730 4.896 129 HB2 LYS 16 HB2 LYS 16 -15.811 12.634 7.409 130 HB3 LYS 16 HB3 LYS 16 -15.501 14.337 7.728 131 HG2 LYS 16 HG2 LYS 16 -16.976 14.933 5.803 132 HG3 LYS 16 HG3 LYS 16 -17.331 13.226 5.573 133 HD2 LYS 16 HD2 LYS 16 -18.034 13.252 8.077 134 HD3 LYS 16 HD3 LYS 16 -18.080 15.002 7.896 135 HE2 LYS 16 HE2 LYS 16 -19.540 13.110 6.029 136 HE3 LYS 16 HE3 LYS 16 -20.290 13.817 7.455 137 HZ1 LYS 16 HZ1 LYS 16 -20.515 15.773 6.453 138 HZ2 LYS 16 HZ2 LYS 16 -20.224 14.939 5.003 139 HZ3 LYS 16 HZ3 LYS 16 -18.950 15.739 5.794 140 H VAL 17 H VAL 17 -12.372 13.576 7.066 141 HA VAL 17 HA VAL 17 -12.155 16.406 7.590 142 HB VAL 17 HB VAL 17 -9.866 14.384 7.397 143 HG11 VAL 17 HG11 VAL 17 -9.151 16.702 7.671 144 HG12 VAL 17 HG12 VAL 17 -8.923 15.864 9.202 145 HG13 VAL 17 HG13 VAL 17 -10.301 16.938 8.984 146 HG21 VAL 17 HG21 VAL 17 -11.947 14.823 9.545 147 HG22 VAL 17 HG22 VAL 17 -10.350 14.204 9.950 148 HG23 VAL 17 HG23 VAL 17 -11.390 13.302 8.854 149 H GLN 18 H GLN 18 -11.246 14.241 5.095 150 HA GLN 18 HA GLN 18 -9.489 16.027 3.664 151 HB2 GLN 18 HB2 GLN 18 -10.327 13.332 3.559 152 HB3 GLN 18 HB3 GLN 18 -10.966 14.027 2.082 153 HG2 GLN 18 HG2 GLN 18 -8.738 14.906 1.516 154 HG3 GLN 18 HG3 GLN 18 -8.092 14.276 3.021 155 HE21 GLN 18 HE21 GLN 18 -9.924 13.073 0.152 156 HE22 GLN 18 HE22 GLN 18 -9.111 11.585 0.075 157 H LEU 19 H LEU 19 -12.875 14.986 3.201 158 HA LEU 19 HA LEU 19 -13.364 16.881 1.076 159 HB2 LEU 19 HB2 LEU 19 -14.794 14.756 2.456 160 HB3 LEU 19 HB3 LEU 19 -15.822 16.183 2.427 161 HG LEU 19 HG LEU 19 -16.071 14.667 0.410 162 HD11 LEU 19 HD11 LEU 19 -16.835 16.904 0.116 163 HD12 LEU 19 HD12 LEU 19 -15.757 16.630 -1.250 164 HD13 LEU 19 HD13 LEU 19 -15.201 17.555 0.140 165 HD21 LEU 19 HD21 LEU 19 -13.630 15.775 -0.801 166 HD22 LEU 19 HD22 LEU 19 -14.287 14.146 -0.907 167 HD23 LEU 19 HD23 LEU 19 -13.319 14.616 0.489 168 H LYS 20 H LYS 20 -13.185 17.134 4.460 169 HA LYS 20 HA LYS 20 -15.051 19.341 4.749 170 HB2 LYS 20 HB2 LYS 20 -14.486 17.936 6.706 171 HB3 LYS 20 HB3 LYS 20 -12.778 18.313 6.531 172 HG2 LYS 20 HG2 LYS 20 -13.370 20.748 6.893 173 HG3 LYS 20 HG3 LYS 20 -15.016 20.238 7.248 174 HD2 LYS 20 HD2 LYS 20 -13.958 18.653 8.992 175 HD3 LYS 20 HD3 LYS 20 -12.489 19.601 8.783 176 HE2 LYS 20 HE2 LYS 20 -13.735 20.551 10.635 177 HE3 LYS 20 HE3 LYS 20 -13.833 21.670 9.282 178 HZ1 LYS 20 HZ1 LYS 20 -15.924 20.450 10.662 179 HZ2 LYS 20 HZ2 LYS 20 -15.940 19.840 9.077 180 HZ3 LYS 20 HZ3 LYS 20 -16.017 21.515 9.343 181 H GLU 21 H GLU 21 -11.541 18.974 4.435 182 HA GLU 21 HA GLU 21 -11.117 21.827 4.636 183 HB2 GLU 21 HB2 GLU 21 -9.435 19.467 3.702 184 HB3 GLU 21 HB3 GLU 21 -8.825 21.116 3.597 185 HG2 GLU 21 HG2 GLU 21 -9.242 21.409 6.036 186 HG3 GLU 21 HG3 GLU 21 -9.798 19.740 6.127 187 H LEU 22 H LEU 22 -12.067 19.691 2.123 188 HA LEU 22 HA LEU 22 -11.177 21.422 -0.045 189 HB2 LEU 22 HB2 LEU 22 -12.375 18.809 0.271 190 HB3 LEU 22 HB3 LEU 22 -13.389 19.725 -0.833 191 HG LEU 22 HG LEU 22 -11.714 18.607 -2.164 192 HD11 LEU 22 HD11 LEU 22 -10.238 21.096 -2.250 193 HD12 LEU 22 HD12 LEU 22 -11.956 21.424 -2.071 194 HD13 LEU 22 HD13 LEU 22 -11.380 20.454 -3.421 195 HD21 LEU 22 HD21 LEU 22 -9.269 19.039 -1.692 196 HD22 LEU 22 HD22 LEU 22 -10.085 18.079 -0.464 197 HD23 LEU 22 HD23 LEU 22 -9.755 19.779 -0.174 198 H GLU 23 H GLU 23 -14.285 20.879 1.579 199 HA GLU 23 HA GLU 23 -15.636 22.825 -0.163 200 HB2 GLU 23 HB2 GLU 23 -16.593 21.417 2.370 201 HB3 GLU 23 HB3 GLU 23 -17.615 22.310 1.248 202 HG2 GLU 23 HG2 GLU 23 -17.159 20.737 -0.533 203 HG3 GLU 23 HG3 GLU 23 -15.916 19.934 0.424 204 H ARG 24 H ARG 24 -14.010 22.930 2.873 205 HA ARG 24 HA ARG 24 -15.422 25.395 3.657 206 HB2 ARG 24 HB2 ARG 24 -13.335 23.602 4.875 207 HB3 ARG 24 HB3 ARG 24 -13.390 25.269 5.423 208 HG2 ARG 24 HG2 ARG 24 -14.844 23.732 6.791 209 HG3 ARG 24 HG3 ARG 24 -15.737 25.047 6.043 210 HD2 ARG 24 HD2 ARG 24 -16.271 23.438 4.120 211 HD3 ARG 24 HD3 ARG 24 -15.611 22.158 5.130 212 HE ARG 24 HE ARG 24 -18.011 23.779 5.850 213 HH11 ARG 24 HH11 ARG 24 -16.706 22.559 8.177 214 HH12 ARG 24 HH12 ARG 24 -17.448 20.997 8.283 215 HH21 ARG 24 HH21 ARG 24 -18.670 21.132 4.999 216 HH22 ARG 24 HH22 ARG 24 -18.589 20.168 6.436 217 H GLU 25 H GLU 25 -12.179 24.427 2.638 218 HA GLU 25 HA GLU 25 -11.205 27.130 2.664 219 HB2 GLU 25 HB2 GLU 25 -10.228 24.780 0.980 220 HB3 GLU 25 HB3 GLU 25 -9.289 26.184 1.473 221 HG2 GLU 25 HG2 GLU 25 -9.331 25.523 3.772 222 HG3 GLU 25 HG3 GLU 25 -10.590 24.332 3.493 223 H TYR 26 H TYR 26 -13.137 25.273 0.460 224 HA TYR 26 HA TYR 26 -12.578 27.164 -1.760 225 HB2 TYR 26 HB2 TYR 26 -13.054 24.606 -1.986 226 HB3 TYR 26 HB3 TYR 26 -14.740 25.017 -1.711 227 HD1 TYR 26 HD1 TYR 26 -11.844 26.236 -3.738 228 HD2 TYR 26 HD2 TYR 26 -16.012 25.414 -3.623 229 HE1 TYR 26 HE1 TYR 26 -12.037 26.901 -6.093 230 HE2 TYR 26 HE2 TYR 26 -16.211 26.078 -5.979 231 HH TYR 26 HH TYR 26 -14.744 27.725 -7.557 232 H ALA 27 H ALA 27 -15.024 26.499 0.646 233 HA ALA 27 HA ALA 27 -16.887 28.422 -0.583 234 HB1 ALA 27 HB1 ALA 27 -18.416 27.726 1.198 235 HB2 ALA 27 HB2 ALA 27 -17.102 26.985 2.105 236 HB3 ALA 27 HB3 ALA 27 -17.635 26.271 0.586 237 H THR 28 H THR 28 -14.366 28.423 1.733 238 HA THR 28 HA THR 28 -15.347 30.601 3.364 239 HB THR 28 HB THR 28 -12.521 29.467 2.866 240 HG1 THR 28 HG1 THR 28 -13.205 28.168 4.369 241 HG21 THR 28 HG21 THR 28 -13.220 31.017 5.350 242 HG22 THR 28 HG22 THR 28 -12.978 31.999 3.910 243 HG23 THR 28 HG23 THR 28 -11.685 30.958 4.490 244 H ASN 29 H ASN 29 -13.358 30.316 0.477 245 HA ASN 29 HA ASN 29 -13.818 33.211 -0.002 246 HB2 ASN 29 HB2 ASN 29 -11.158 31.807 0.315 247 HB3 ASN 29 HB3 ASN 29 -11.274 33.136 -0.837 248 HD21 ASN 29 HD21 ASN 29 -11.419 35.268 -0.009 249 HD22 ASN 29 HD22 ASN 29 -11.390 35.627 1.651 250 H LYS 30 H LYS 30 -11.686 30.840 -1.516 251 HA LYS 30 HA LYS 30 -13.439 30.203 -3.693 252 HB2 LYS 30 HB2 LYS 30 -12.215 31.544 -5.469 253 HB3 LYS 30 HB3 LYS 30 -13.071 32.579 -4.336 254 HG2 LYS 30 HG2 LYS 30 -10.894 32.745 -3.017 255 HG3 LYS 30 HG3 LYS 30 -10.105 31.957 -4.377 256 HD2 LYS 30 HD2 LYS 30 -11.721 34.518 -4.578 257 HD3 LYS 30 HD3 LYS 30 -9.961 34.444 -4.518 258 HE2 LYS 30 HE2 LYS 30 -10.549 32.624 -6.507 259 HE3 LYS 30 HE3 LYS 30 -11.789 33.846 -6.752 260 HZ1 LYS 30 HZ1 LYS 30 -8.878 34.383 -6.558 261 HZ2 LYS 30 HZ2 LYS 30 -10.091 35.532 -6.860 262 HZ3 LYS 30 HZ3 LYS 30 -9.771 34.315 -8.001 263 H PHE 31 H PHE 31 -10.094 30.873 -2.830 264 HA PHE 31 HA PHE 31 -9.416 28.096 -3.362 265 HB2 PHE 31 HB2 PHE 31 -9.072 29.823 -5.480 266 HB3 PHE 31 HB3 PHE 31 -7.512 29.993 -4.663 267 HD1 PHE 31 HD1 PHE 31 -6.295 27.838 -4.011 268 HD2 PHE 31 HD2 PHE 31 -9.536 27.859 -6.740 269 HE1 PHE 31 HE1 PHE 31 -5.733 25.562 -4.669 270 HE2 PHE 31 HE2 PHE 31 -8.938 25.587 -7.446 271 HZ PHE 31 HZ PHE 31 -7.057 24.434 -6.366 272 H ILE 32 H ILE 32 -7.231 27.618 -2.629 273 HA ILE 32 HA ILE 32 -6.505 29.473 -0.419 274 HB ILE 32 HB ILE 32 -5.321 26.914 -0.011 275 HG12 ILE 32 HG12 ILE 32 -7.471 25.532 -0.037 276 HG13 ILE 32 HG13 ILE 32 -8.162 26.761 -1.083 277 HG21 ILE 32 HG21 ILE 32 -7.984 27.907 1.112 278 HG22 ILE 32 HG22 ILE 32 -6.456 28.629 1.593 279 HG23 ILE 32 HG23 ILE 32 -6.774 26.937 1.945 280 HD11 ILE 32 HD11 ILE 32 -5.928 24.827 -1.627 281 HD12 ILE 32 HD12 ILE 32 -5.898 26.389 -2.433 282 HD13 ILE 32 HD13 ILE 32 -7.263 25.307 -2.672 283 H THR 33 H THR 33 -4.246 29.550 0.181 284 HA THR 33 HA THR 33 -2.568 30.103 -2.111 285 HB THR 33 HB THR 33 -0.824 30.577 -0.252 286 HG1 THR 33 HG1 THR 33 -2.815 30.337 1.617 287 HG21 THR 33 HG21 THR 33 -3.447 31.738 0.713 288 HG22 THR 33 HG22 THR 33 -2.970 32.139 -0.934 289 HG23 THR 33 HG23 THR 33 -1.925 32.571 0.416 290 H LYS 34 H LYS 34 -0.410 29.269 -2.420 291 HA LYS 34 HA LYS 34 -0.306 26.497 -2.816 292 HB2 LYS 34 HB2 LYS 34 2.067 28.326 -2.201 293 HB3 LYS 34 HB3 LYS 34 2.125 26.818 -3.107 294 HG2 LYS 34 HG2 LYS 34 0.558 29.291 -3.920 295 HG3 LYS 34 HG3 LYS 34 2.087 28.782 -4.627 296 HD2 LYS 34 HD2 LYS 34 0.791 27.644 -6.116 297 HD3 LYS 34 HD3 LYS 34 0.589 26.477 -4.815 298 HE2 LYS 34 HE2 LYS 34 -1.623 27.042 -5.549 299 HE3 LYS 34 HE3 LYS 34 -1.402 27.886 -4.029 300 HZ1 LYS 34 HZ1 LYS 34 -2.102 29.626 -5.223 301 HZ2 LYS 34 HZ2 LYS 34 -1.657 28.944 -6.713 302 HZ3 LYS 34 HZ3 LYS 34 -0.488 29.701 -5.741 303 H ASP 35 H ASP 35 0.679 28.390 -0.021 304 HA ASP 35 HA ASP 35 1.877 26.165 1.359 305 HB2 ASP 35 HB2 ASP 35 2.144 28.663 1.940 306 HB3 ASP 35 HB3 ASP 35 0.511 28.611 2.599 307 H LYS 36 H LYS 36 -1.319 27.369 0.879 308 HA LYS 36 HA LYS 36 -2.421 25.584 2.924 309 HB2 LYS 36 HB2 LYS 36 -3.589 27.661 1.042 310 HB3 LYS 36 HB3 LYS 36 -4.619 26.609 2.007 311 HG2 LYS 36 HG2 LYS 36 -3.617 27.420 4.070 312 HG3 LYS 36 HG3 LYS 36 -2.417 28.342 3.173 313 HD2 LYS 36 HD2 LYS 36 -4.498 29.488 2.067 314 HD3 LYS 36 HD3 LYS 36 -5.368 28.861 3.464 315 HE2 LYS 36 HE2 LYS 36 -2.963 30.706 3.494 316 HE3 LYS 36 HE3 LYS 36 -4.600 31.093 4.006 317 HZ1 LYS 36 HZ1 LYS 36 -4.094 28.977 5.529 318 HZ2 LYS 36 HZ2 LYS 36 -3.787 30.577 6.010 319 HZ3 LYS 36 HZ3 LYS 36 -2.528 29.619 5.392 320 H ARG 37 H ARG 37 -1.746 25.586 -0.430 321 HA ARG 37 HA ARG 37 -3.775 23.628 -1.148 322 HB2 ARG 37 HB2 ARG 37 -1.158 24.515 -2.469 323 HB3 ARG 37 HB3 ARG 37 -2.255 23.357 -3.209 324 HG2 ARG 37 HG2 ARG 37 -4.010 25.326 -2.608 325 HG3 ARG 37 HG3 ARG 37 -2.563 26.293 -2.845 326 HD2 ARG 37 HD2 ARG 37 -2.236 25.015 -5.042 327 HD3 ARG 37 HD3 ARG 37 -3.872 24.402 -4.816 328 HE ARG 37 HE ARG 37 -3.988 27.220 -4.523 329 HH11 ARG 37 HH11 ARG 37 -5.271 25.151 -6.505 330 HH12 ARG 37 HH12 ARG 37 -4.906 25.926 -8.010 331 HH21 ARG 37 HH21 ARG 37 -2.590 28.109 -6.555 332 HH22 ARG 37 HH22 ARG 37 -3.351 27.645 -8.039 333 H ARG 38 H ARG 38 -0.639 23.725 0.153 334 HA ARG 38 HA ARG 38 -0.127 20.855 -0.185 335 HB2 ARG 38 HB2 ARG 38 1.810 22.282 -0.403 336 HB3 ARG 38 HB3 ARG 38 1.399 23.193 1.042 337 HG2 ARG 38 HG2 ARG 38 3.245 21.667 1.539 338 HG3 ARG 38 HG3 ARG 38 1.820 21.143 2.418 339 HD2 ARG 38 HD2 ARG 38 1.383 19.387 0.813 340 HD3 ARG 38 HD3 ARG 38 2.601 20.023 -0.292 341 HE ARG 38 HE ARG 38 3.192 18.151 1.684 342 HH11 ARG 38 HH11 ARG 38 3.910 20.522 3.335 343 HH12 ARG 38 HH12 ARG 38 5.575 20.775 2.934 344 HH21 ARG 38 HH21 ARG 38 5.387 18.796 0.046 345 HH22 ARG 38 HH22 ARG 38 6.434 19.770 1.023 346 H ARG 39 H ARG 39 -1.123 23.073 2.441 347 HA ARG 39 HA ARG 39 -0.594 21.102 4.472 348 HB2 ARG 39 HB2 ARG 39 -2.122 22.425 5.934 349 HB3 ARG 39 HB3 ARG 39 -1.037 23.509 5.082 350 HG2 ARG 39 HG2 ARG 39 -3.008 24.592 4.695 351 HG3 ARG 39 HG3 ARG 39 -3.011 23.506 3.330 352 HD2 ARG 39 HD2 ARG 39 -5.180 23.577 4.624 353 HD3 ARG 39 HD3 ARG 39 -4.495 21.973 4.452 354 HE ARG 39 HE ARG 39 -4.460 21.942 6.802 355 HH11 ARG 39 HH11 ARG 39 -4.869 25.123 5.820 356 HH12 ARG 39 HH12 ARG 39 -4.169 25.843 7.230 357 HH21 ARG 39 HH21 ARG 39 -3.092 22.765 8.514 358 HH22 ARG 39 HH22 ARG 39 -3.137 24.473 8.797 359 H ILE 40 H ILE 40 -3.251 21.796 2.264 360 HA ILE 40 HA ILE 40 -5.068 19.902 3.459 361 HB ILE 40 HB ILE 40 -4.693 20.655 0.517 362 HG12 ILE 40 HG12 ILE 40 -6.822 21.801 2.302 363 HG13 ILE 40 HG13 ILE 40 -5.216 22.512 2.302 364 HG21 ILE 40 HG21 ILE 40 -7.077 19.546 2.044 365 HG22 ILE 40 HG22 ILE 40 -6.053 18.618 0.954 366 HG23 ILE 40 HG23 ILE 40 -7.049 19.925 0.325 367 HD11 ILE 40 HD11 ILE 40 -6.447 23.697 0.597 368 HD12 ILE 40 HD12 ILE 40 -7.107 22.201 -0.048 369 HD13 ILE 40 HD13 ILE 40 -5.410 22.573 -0.266 370 H SER 41 H SER 41 -3.463 19.522 0.293 371 HA SER 41 HA SER 41 -3.523 16.792 0.041 372 HB2 SER 41 HB2 SER 41 -2.083 17.350 -1.702 373 HB3 SER 41 HB3 SER 41 -1.916 18.962 -1.008 374 HG SER 41 HG SER 41 0.075 17.713 -1.163 375 H ALA 42 H ALA 42 -1.283 18.587 2.126 376 HA ALA 42 HA ALA 42 0.285 16.269 2.874 377 HB1 ALA 42 HB1 ALA 42 1.081 17.806 4.727 378 HB2 ALA 42 HB2 ALA 42 -0.142 18.972 4.241 379 HB3 ALA 42 HB3 ALA 42 1.171 18.565 3.139 380 H THR 43 H THR 43 -2.668 17.698 4.047 381 HA THR 43 HA THR 43 -2.607 15.991 6.474 382 HB THR 43 HB THR 43 -4.908 17.210 6.823 383 HG1 THR 43 HG1 THR 43 -3.829 18.292 4.454 384 HG21 THR 43 HG21 THR 43 -2.221 18.617 6.571 385 HG22 THR 43 HG22 THR 43 -3.143 18.302 8.037 386 HG23 THR 43 HG23 THR 43 -3.657 19.572 6.931 387 H THR 44 H THR 44 -4.176 16.458 3.452 388 HA THR 44 HA THR 44 -6.062 14.269 3.878 389 HB THR 44 HB THR 44 -6.626 14.948 1.448 390 HG1 THR 44 HG1 THR 44 -4.217 15.885 1.773 391 HG21 THR 44 HG21 THR 44 -6.315 17.538 2.919 392 HG22 THR 44 HG22 THR 44 -7.260 16.313 3.759 393 HG23 THR 44 HG23 THR 44 -7.765 16.879 2.170 394 H ASN 45 H ASN 45 -2.895 14.728 2.787 395 HA ASN 45 HA ASN 45 -1.314 13.279 1.890 396 HB2 ASN 45 HB2 ASN 45 -3.348 11.030 2.114 397 HB3 ASN 45 HB3 ASN 45 -1.605 10.961 2.351 398 HD21 ASN 45 HD21 ASN 45 -0.736 11.844 4.374 399 HD22 ASN 45 HD22 ASN 45 -1.738 12.075 5.725 400 H LEU 46 H LEU 46 -1.929 14.568 -0.093 401 HA LEU 46 HA LEU 46 -2.909 12.641 -2.202 402 HB2 LEU 46 HB2 LEU 46 -3.238 15.656 -2.214 403 HB3 LEU 46 HB3 LEU 46 -3.890 14.546 -3.393 404 HG LEU 46 HG LEU 46 -4.577 14.159 -0.496 405 HD11 LEU 46 HD11 LEU 46 -6.393 15.822 -2.165 406 HD12 LEU 46 HD12 LEU 46 -4.981 16.619 -1.526 407 HD13 LEU 46 HD13 LEU 46 -6.105 15.869 -0.445 408 HD21 LEU 46 HD21 LEU 46 -5.228 12.495 -2.227 409 HD22 LEU 46 HD22 LEU 46 -6.079 13.759 -3.109 410 HD23 LEU 46 HD23 LEU 46 -6.643 13.265 -1.514 411 H SER 47 H SER 47 -1.932 15.766 -3.255 412 HA SER 47 HA SER 47 0.890 15.171 -3.499 413 HB2 SER 47 HB2 SER 47 -0.737 13.783 -5.305 414 HB3 SER 47 HB3 SER 47 -0.190 15.183 -6.249 415 HG SER 47 HG SER 47 1.220 13.070 -5.610 416 H GLU 48 H GLU 48 -1.148 17.459 -3.084 417 HA GLU 48 HA GLU 48 -1.101 19.778 -3.396 418 HB2 GLU 48 HB2 GLU 48 1.389 19.399 -5.069 419 HB3 GLU 48 HB3 GLU 48 0.955 20.751 -4.038 420 HG2 GLU 48 HG2 GLU 48 1.000 19.086 -2.080 421 HG3 GLU 48 HG3 GLU 48 1.815 17.979 -3.181 422 H ARG 49 H ARG 49 0.139 18.254 -6.349 423 HA ARG 49 HA ARG 49 -1.300 20.117 -8.026 424 HB2 ARG 49 HB2 ARG 49 0.771 18.747 -8.709 425 HB3 ARG 49 HB3 ARG 49 -0.261 17.323 -8.753 426 HG2 ARG 49 HG2 ARG 49 -0.304 18.054 -10.991 427 HG3 ARG 49 HG3 ARG 49 -1.771 18.765 -10.333 428 HD2 ARG 49 HD2 ARG 49 -0.444 20.420 -11.642 429 HD3 ARG 49 HD3 ARG 49 -0.591 20.896 -9.952 430 HE ARG 49 HE ARG 49 1.822 19.346 -10.653 431 HH11 ARG 49 HH11 ARG 49 1.249 22.248 -11.801 432 HH12 ARG 49 HH12 ARG 49 2.270 23.168 -10.747 433 HH21 ARG 49 HH21 ARG 49 2.716 20.493 -8.524 434 HH22 ARG 49 HH22 ARG 49 3.124 22.147 -8.842 435 H GLN 50 H GLN 50 -1.916 17.104 -6.490 436 HA GLN 50 HA GLN 50 -4.250 16.398 -8.022 437 HB2 GLN 50 HB2 GLN 50 -3.031 14.683 -6.748 438 HB3 GLN 50 HB3 GLN 50 -3.236 15.587 -5.252 439 HG2 GLN 50 HG2 GLN 50 -5.385 14.873 -4.969 440 HG3 GLN 50 HG3 GLN 50 -5.752 14.995 -6.687 441 HE21 GLN 50 HE21 GLN 50 -5.925 12.726 -4.491 442 HE22 GLN 50 HE22 GLN 50 -5.302 11.376 -5.310 443 H VAL 51 H VAL 51 -3.625 18.119 -4.967 444 HA VAL 51 HA VAL 51 -6.399 18.387 -4.248 445 HB VAL 51 HB VAL 51 -4.357 20.523 -3.623 446 HG11 VAL 51 HG11 VAL 51 -6.173 19.128 -1.670 447 HG12 VAL 51 HG12 VAL 51 -6.871 20.284 -2.800 448 HG13 VAL 51 HG13 VAL 51 -5.621 20.801 -1.675 449 HG21 VAL 51 HG21 VAL 51 -4.091 17.651 -3.141 450 HG22 VAL 51 HG22 VAL 51 -4.057 18.586 -1.647 451 HG23 VAL 51 HG23 VAL 51 -2.927 18.925 -2.932 452 H THR 52 H THR 52 -4.148 20.529 -5.925 453 HA THR 52 HA THR 52 -5.966 22.597 -6.458 454 HB THR 52 HB THR 52 -3.356 21.911 -7.216 455 HG1 THR 52 HG1 THR 52 -5.037 23.969 -8.191 456 HG21 THR 52 HG21 THR 52 -5.099 22.391 -9.689 457 HG22 THR 52 HG22 THR 52 -4.295 20.863 -9.348 458 HG23 THR 52 HG23 THR 52 -3.341 22.301 -9.687 459 H ILE 53 H ILE 53 -5.348 19.556 -8.061 460 HA ILE 53 HA ILE 53 -7.235 20.008 -10.180 461 HB ILE 53 HB ILE 53 -5.475 17.821 -9.158 462 HG12 ILE 53 HG12 ILE 53 -4.824 18.995 -11.142 463 HG13 ILE 53 HG13 ILE 53 -5.277 17.370 -11.639 464 HG21 ILE 53 HG21 ILE 53 -7.443 16.463 -8.985 465 HG22 ILE 53 HG22 ILE 53 -6.846 16.104 -10.600 466 HG23 ILE 53 HG23 ILE 53 -8.196 17.205 -10.385 467 HD11 ILE 53 HD11 ILE 53 -6.568 18.459 -13.186 468 HD12 ILE 53 HD12 ILE 53 -6.567 19.961 -12.270 469 HD13 ILE 53 HD13 ILE 53 -7.687 18.674 -11.851 470 H TRP 54 H TRP 54 -7.297 18.833 -6.932 471 HA TRP 54 HA TRP 54 -9.845 17.553 -7.081 472 HB2 TRP 54 HB2 TRP 54 -8.015 17.445 -5.191 473 HB3 TRP 54 HB3 TRP 54 -8.714 18.943 -4.605 474 HD1 TRP 54 HD1 TRP 54 -11.609 17.408 -5.862 475 HE1 TRP 54 HE1 TRP 54 -12.666 15.824 -4.223 476 HE3 TRP 54 HE3 TRP 54 -7.917 17.348 -2.494 477 HZ2 TRP 54 HZ2 TRP 54 -12.003 14.659 -1.622 478 HZ3 TRP 54 HZ3 TRP 54 -8.204 16.064 -0.388 479 HH2 TRP 54 HH2 TRP 54 -10.230 14.748 0.032 480 H PHE 55 H PHE 55 -8.644 20.773 -6.281 481 HA PHE 55 HA PHE 55 -11.207 21.820 -5.549 482 HB2 PHE 55 HB2 PHE 55 -8.644 22.989 -6.610 483 HB3 PHE 55 HB3 PHE 55 -10.060 24.027 -6.433 484 HD1 PHE 55 HD1 PHE 55 -11.315 23.907 -4.186 485 HD2 PHE 55 HD2 PHE 55 -7.340 22.483 -4.703 486 HE1 PHE 55 HE1 PHE 55 -11.021 23.841 -1.763 487 HE2 PHE 55 HE2 PHE 55 -7.056 22.413 -2.273 488 HZ PHE 55 HZ PHE 55 -8.884 23.153 -0.797 489 H GLN 56 H GLN 56 -9.671 21.520 -8.707 490 HA GLN 56 HA GLN 56 -11.703 22.992 -10.117 491 HB2 GLN 56 HB2 GLN 56 -9.313 22.082 -10.826 492 HB3 GLN 56 HB3 GLN 56 -10.216 20.685 -11.366 493 HG2 GLN 56 HG2 GLN 56 -11.759 22.426 -12.541 494 HG3 GLN 56 HG3 GLN 56 -10.415 23.544 -12.316 495 HE21 GLN 56 HE21 GLN 56 -10.909 20.148 -13.460 496 HE22 GLN 56 HE22 GLN 56 -9.810 20.269 -14.747 497 H ASN 57 H ASN 57 -11.278 19.616 -9.245 498 HA ASN 57 HA ASN 57 -13.526 18.689 -10.780 499 HB2 ASN 57 HB2 ASN 57 -11.465 17.492 -9.284 500 HB3 ASN 57 HB3 ASN 57 -12.898 17.172 -8.311 501 HD21 ASN 57 HD21 ASN 57 -11.154 16.192 -11.105 502 HD22 ASN 57 HD22 ASN 57 -12.314 15.125 -11.735 503 H ARG 58 H ARG 58 -13.010 20.286 -7.867 504 HA ARG 58 HA ARG 58 -15.587 19.599 -6.703 505 HB2 ARG 58 HB2 ARG 58 -13.162 20.679 -5.781 506 HB3 ARG 58 HB3 ARG 58 -14.232 22.056 -5.759 507 HG2 ARG 58 HG2 ARG 58 -15.107 19.406 -4.595 508 HG3 ARG 58 HG3 ARG 58 -14.133 20.520 -3.644 509 HD2 ARG 58 HD2 ARG 58 -15.980 21.735 -3.172 510 HD3 ARG 58 HD3 ARG 58 -16.233 22.028 -4.891 511 HE ARG 58 HE ARG 58 -17.154 19.394 -4.206 512 HH11 ARG 58 HH11 ARG 58 -17.980 22.541 -4.985 513 HH12 ARG 58 HH12 ARG 58 -19.610 22.459 -4.407 514 HH21 ARG 58 HH21 ARG 58 -19.149 19.300 -2.959 515 HH22 ARG 58 HH22 ARG 58 -20.290 20.575 -3.230 516 H ARG 59 H ARG 59 -14.244 21.801 -8.966 517 HA ARG 59 HA ARG 59 -16.485 23.743 -8.641 518 HB2 ARG 59 HB2 ARG 59 -14.433 24.819 -9.265 519 HB3 ARG 59 HB3 ARG 59 -13.993 23.535 -10.383 520 HG2 ARG 59 HG2 ARG 59 -15.592 24.249 -11.999 521 HG3 ARG 59 HG3 ARG 59 -16.431 25.266 -10.833 522 HD2 ARG 59 HD2 ARG 59 -14.654 26.860 -10.787 523 HD3 ARG 59 HD3 ARG 59 -13.537 25.753 -11.585 524 HE ARG 59 HE ARG 59 -15.142 25.992 -13.604 525 HH11 ARG 59 HH11 ARG 59 -13.200 28.274 -12.977 526 HH12 ARG 59 HH12 ARG 59 -14.231 29.652 -13.173 527 HH21 ARG 59 HH21 ARG 59 -17.159 27.725 -13.066 528 HH22 ARG 59 HH22 ARG 59 -16.534 29.331 -13.225 529 H VAL 60 H VAL 60 -15.617 20.946 -10.257 530 HA VAL 60 HA VAL 60 -17.532 21.303 -12.459 531 HB VAL 60 HB VAL 60 -15.086 19.927 -12.094 532 HG11 VAL 60 HG11 VAL 60 -15.533 17.573 -12.312 533 HG12 VAL 60 HG12 VAL 60 -17.258 17.843 -12.521 534 HG13 VAL 60 HG13 VAL 60 -16.509 18.115 -10.955 535 HG21 VAL 60 HG21 VAL 60 -17.198 19.493 -14.245 536 HG22 VAL 60 HG22 VAL 60 -15.474 19.170 -14.411 537 HG23 VAL 60 HG23 VAL 60 -16.045 20.824 -14.212 538 H LYS 61 H LYS 61 -17.264 19.910 -9.332 539 HA LYS 61 HA LYS 61 -19.596 18.140 -9.723 540 HB2 LYS 61 HB2 LYS 61 -17.407 17.772 -8.211 541 HB3 LYS 61 HB3 LYS 61 -18.328 18.698 -7.034 542 HG2 LYS 61 HG2 LYS 61 -20.086 17.103 -6.981 543 HG3 LYS 61 HG3 LYS 61 -19.549 16.338 -8.472 544 HD2 LYS 61 HD2 LYS 61 -17.628 15.383 -7.405 545 HD3 LYS 61 HD3 LYS 61 -17.835 16.387 -5.976 546 HE2 LYS 61 HE2 LYS 61 -18.939 14.599 -5.106 547 HE3 LYS 61 HE3 LYS 61 -20.274 15.101 -6.135 548 HZ1 LYS 61 HZ1 LYS 61 -18.708 13.685 -7.816 549 HZ2 LYS 61 HZ2 LYS 61 -20.085 13.092 -7.019 550 HZ3 LYS 61 HZ3 LYS 61 -18.544 12.828 -6.358 551 H GLU 62 H GLU 62 -18.818 21.284 -8.493 552 HA GLU 62 HA GLU 62 -21.080 21.584 -6.745 553 HB2 GLU 62 HB2 GLU 62 -20.315 23.800 -6.539 554 HB3 GLU 62 HB3 GLU 62 -18.858 23.035 -7.148 555 HG2 GLU 62 HG2 GLU 62 -19.063 24.864 -8.588 556 HG3 GLU 62 HG3 GLU 62 -19.849 23.594 -9.510 557 H LYS 63 H LYS 63 -20.578 21.853 -10.147 558 HA LYS 63 HA LYS 63 -23.184 23.153 -10.523 559 HB2 LYS 63 HB2 LYS 63 -22.567 23.162 -12.913 560 HB3 LYS 63 HB3 LYS 63 -21.200 23.732 -11.962 561 HG2 LYS 63 HG2 LYS 63 -20.177 21.522 -12.045 562 HG3 LYS 63 HG3 LYS 63 -21.568 20.874 -12.898 563 HD2 LYS 63 HD2 LYS 63 -21.006 22.936 -14.538 564 HD3 LYS 63 HD3 LYS 63 -19.389 22.644 -13.905 565 HE2 LYS 63 HE2 LYS 63 -19.414 20.359 -14.649 566 HE3 LYS 63 HE3 LYS 63 -21.137 20.423 -14.999 567 HZ1 LYS 63 HZ1 LYS 63 -19.676 22.438 -16.397 568 HZ2 LYS 63 HZ2 LYS 63 -20.753 21.269 -16.994 569 HZ3 LYS 63 HZ3 LYS 63 -19.116 20.877 -16.765 570 H LYS 64 H LYS 64 -22.068 20.024 -10.116 571 HA LYS 64 HA LYS 64 -23.883 18.725 -12.000 572 HB2 LYS 64 HB2 LYS 64 -21.668 17.767 -10.956 573 HB3 LYS 64 HB3 LYS 64 -22.647 17.429 -9.534 574 HG2 LYS 64 HG2 LYS 64 -24.171 16.516 -11.734 575 HG3 LYS 64 HG3 LYS 64 -22.524 15.980 -12.049 576 HD2 LYS 64 HD2 LYS 64 -22.517 15.191 -9.578 577 HD3 LYS 64 HD3 LYS 64 -24.265 15.372 -9.654 578 HE2 LYS 64 HE2 LYS 64 -24.364 13.324 -10.605 579 HE3 LYS 64 HE3 LYS 64 -23.559 14.001 -12.015 580 HZ1 LYS 64 HZ1 LYS 64 -21.939 12.584 -11.553 581 HZ2 LYS 64 HZ2 LYS 64 -22.537 12.250 -9.998 582 HZ3 LYS 64 HZ3 LYS 64 -21.535 13.598 -10.252 583 H VAL 65 H VAL 65 -24.602 20.617 -9.653 584 HA VAL 65 HA VAL 65 -27.023 19.065 -8.932 585 HB VAL 65 HB VAL 65 -25.094 18.906 -7.151 586 HG11 VAL 65 HG11 VAL 65 -24.754 20.805 -5.740 587 HG12 VAL 65 HG12 VAL 65 -26.118 21.666 -6.444 588 HG13 VAL 65 HG13 VAL 65 -24.655 21.419 -7.383 589 HG21 VAL 65 HG21 VAL 65 -26.714 18.467 -5.617 590 HG22 VAL 65 HG22 VAL 65 -27.820 18.807 -6.939 591 HG23 VAL 65 HG23 VAL 65 -27.433 20.063 -5.773 592 H ILE 66 H ILE 66 -25.909 21.642 -10.340 593 HA ILE 66 HA ILE 66 -27.962 23.500 -9.190 594 HB ILE 66 HB ILE 66 -25.388 24.087 -9.198 595 HG12 ILE 66 HG12 ILE 66 -27.167 26.091 -10.591 596 HG13 ILE 66 HG13 ILE 66 -27.414 25.654 -8.902 597 HG21 ILE 66 HG21 ILE 66 -24.512 24.883 -11.313 598 HG22 ILE 66 HG22 ILE 66 -26.101 24.847 -12.071 599 HG23 ILE 66 HG23 ILE 66 -25.273 23.340 -11.693 600 HD11 ILE 66 HD11 ILE 66 -25.958 27.575 -8.912 601 HD12 ILE 66 HD12 ILE 66 -24.928 26.864 -10.150 602 HD13 ILE 66 HD13 ILE 66 -24.950 26.184 -8.525 603 H ASN 67 H ASN 67 -27.415 21.432 -11.647 604 HA ASN 67 HA ASN 67 -28.268 23.017 -13.921 605 HB2 ASN 67 HB2 ASN 67 -27.006 20.674 -13.779 606 HB3 ASN 67 HB3 ASN 67 -28.638 20.013 -13.717 607 HD21 ASN 67 HD21 ASN 67 -29.153 22.731 -15.422 608 HD22 ASN 67 HD22 ASN 67 -28.865 22.177 -17.000 609 H LYS 68 H LYS 68 -29.894 22.056 -11.224 610 HA LYS 68 HA LYS 68 -32.497 22.340 -12.631 611 HB2 LYS 68 HB2 LYS 68 -31.759 20.096 -10.676 612 HB3 LYS 68 HB3 LYS 68 -33.398 20.418 -11.228 613 HG2 LYS 68 HG2 LYS 68 -32.853 19.866 -13.491 614 HG3 LYS 68 HG3 LYS 68 -31.129 19.902 -13.162 615 HD2 LYS 68 HD2 LYS 68 -31.263 17.916 -11.798 616 HD3 LYS 68 HD3 LYS 68 -33.024 17.944 -11.840 617 HE2 LYS 68 HE2 LYS 68 -32.836 16.547 -13.622 618 HE3 LYS 68 HE3 LYS 68 -32.353 17.976 -14.527 619 HZ1 LYS 68 HZ1 LYS 68 -30.835 15.708 -13.915 620 HZ2 LYS 68 HZ2 LYS 68 -30.120 17.040 -13.142 621 HZ3 LYS 68 HZ3 LYS 68 -30.379 17.071 -14.820 622 H LEU 69 H LEU 69 -33.443 21.292 -9.797 623 HA LEU 69 HA LEU 69 -34.052 22.293 -7.764 624 HB2 LEU 69 HB2 LEU 69 -31.405 23.131 -8.271 625 HB3 LEU 69 HB3 LEU 69 -32.266 24.633 -7.963 626 HG LEU 69 HG LEU 69 -31.373 23.667 -5.867 627 HD11 LEU 69 HD11 LEU 69 -34.364 23.282 -5.788 628 HD12 LEU 69 HD12 LEU 69 -33.683 24.875 -6.100 629 HD13 LEU 69 HD13 LEU 69 -33.317 24.038 -4.593 630 HD21 LEU 69 HD21 LEU 69 -33.308 21.413 -5.885 631 HD22 LEU 69 HD22 LEU 69 -31.662 21.475 -5.265 632 HD23 LEU 69 HD23 LEU 69 -31.948 21.240 -6.987 633 H LYS 70 H LYS 70 -35.164 24.178 -6.948 634 HA LYS 70 HA LYS 70 -36.758 25.863 -7.182 635 HB2 LYS 70 HB2 LYS 70 -34.420 26.634 -8.856 636 HB3 LYS 70 HB3 LYS 70 -35.918 27.443 -9.302 637 HG2 LYS 70 HG2 LYS 70 -34.823 27.316 -6.469 638 HG3 LYS 70 HG3 LYS 70 -34.604 28.684 -7.553 639 HD2 LYS 70 HD2 LYS 70 -37.279 28.423 -7.763 640 HD3 LYS 70 HD3 LYS 70 -37.072 27.756 -6.147 641 HE2 LYS 70 HE2 LYS 70 -35.853 30.397 -6.987 642 HE3 LYS 70 HE3 LYS 70 -37.450 30.281 -6.258 643 HZ1 LYS 70 HZ1 LYS 70 -34.868 30.078 -5.040 644 HZ2 LYS 70 HZ2 LYS 70 -35.891 28.792 -4.614 645 HZ3 LYS 70 HZ3 LYS 70 -36.380 30.394 -4.335 646 H THR 71 H THR 71 -37.786 27.212 -9.306 647 HA THR 71 HA THR 71 -39.557 25.267 -10.442 648 HB THR 71 HB THR 71 -40.134 27.728 -10.113 649 HG1 THR 71 HG1 THR 71 -41.395 27.555 -11.837 650 HG21 THR 71 HG21 THR 71 -39.136 29.399 -11.486 651 HG22 THR 71 HG22 THR 71 -38.730 28.244 -12.752 652 HG23 THR 71 HG23 THR 71 -37.748 28.331 -11.294 653 H THR 72 H THR 72 -39.649 26.475 -13.115 654 HA THR 72 HA THR 72 -38.389 24.547 -14.645 655 HB THR 72 HB THR 72 -38.717 26.061 -16.552 656 HG1 THR 72 HG1 THR 72 -37.667 27.853 -16.046 657 HG21 THR 72 HG21 THR 72 -40.571 27.469 -14.621 658 HG22 THR 72 HG22 THR 72 -40.783 25.726 -14.762 659 HG23 THR 72 HG23 THR 72 -40.954 26.751 -16.183 660 H SER 73 H SER 73 -37.051 27.845 -14.324 661 HA SER 73 HA SER 73 -34.374 26.762 -13.863 662 HB2 SER 73 HB2 SER 73 -35.264 27.181 -16.564 663 HB3 SER 73 HB3 SER 73 -34.113 28.480 -16.196 664 HG SER 73 HG SER 73 -33.373 26.174 -16.816 Start of MODEL 12 1 HA MET 1 HA MET 1 16.036 -6.465 1.131 2 H SER 2 H SER 2 14.644 -6.276 2.777 3 HA SER 2 HA SER 2 11.765 -6.076 2.144 4 HB2 SER 2 HB2 SER 2 13.299 -6.621 4.745 5 HB3 SER 2 HB3 SER 2 11.529 -6.626 4.620 6 HG SER 2 HG SER 2 13.181 -8.574 3.980 7 H HIS 3 H HIS 3 12.369 -3.752 1.463 8 HA HIS 3 HA HIS 3 12.941 -1.758 3.408 9 HB2 HIS 3 HB2 HIS 3 11.461 -1.745 0.748 10 HB3 HIS 3 HB3 HIS 3 11.623 -0.270 1.696 11 HD1 HIS 3 HD1 HIS 3 13.786 0.851 1.396 12 HD2 HIS 3 HD2 HIS 3 14.072 -2.986 0.121 13 HE1 HIS 3 HE1 HIS 3 15.996 0.691 0.423 14 H MET 4 H MET 4 11.316 -0.001 3.988 15 HA MET 4 HA MET 4 9.058 -1.339 5.328 16 HB2 MET 4 HB2 MET 4 10.406 0.295 6.606 17 HB3 MET 4 HB3 MET 4 10.103 1.537 5.397 18 HG2 MET 4 HG2 MET 4 7.746 1.540 5.894 19 HG3 MET 4 HG3 MET 4 7.904 0.142 6.925 20 HE1 MET 4 HE1 MET 4 10.434 3.377 7.290 21 HE2 MET 4 HE2 MET 4 9.091 4.439 7.712 22 HE3 MET 4 HE3 MET 4 9.067 3.546 6.191 23 H LEU 5 H LEU 5 7.505 -1.746 3.817 24 HA LEU 5 HA LEU 5 6.705 0.298 1.883 25 HB2 LEU 5 HB2 LEU 5 5.788 -2.498 2.621 26 HB3 LEU 5 HB3 LEU 5 4.748 -1.491 1.619 27 HG LEU 5 HG LEU 5 6.295 -2.915 0.263 28 HD11 LEU 5 HD11 LEU 5 6.479 -1.261 -1.307 29 HD12 LEU 5 HD12 LEU 5 7.354 -0.191 -0.216 30 HD13 LEU 5 HD13 LEU 5 5.599 -0.298 -0.125 31 HD21 LEU 5 HD21 LEU 5 8.161 -2.823 1.966 32 HD22 LEU 5 HD22 LEU 5 8.466 -1.164 1.460 33 HD23 LEU 5 HD23 LEU 5 8.684 -2.488 0.318 34 H GLU 6 H GLU 6 6.280 1.912 3.616 35 HA GLU 6 HA GLU 6 4.102 1.582 5.451 36 HB2 GLU 6 HB2 GLU 6 4.207 4.075 5.613 37 HB3 GLU 6 HB3 GLU 6 5.827 3.388 5.645 38 HG2 GLU 6 HG2 GLU 6 6.017 3.810 3.186 39 HG3 GLU 6 HG3 GLU 6 4.433 4.579 3.222 40 H GLY 7 H GLY 7 4.155 1.950 2.086 41 HA2 GLY 7 HA2 GLY 7 1.639 3.379 1.801 42 HA3 GLY 7 HA3 GLY 7 2.479 2.508 0.520 43 H ARG 8 H ARG 8 -0.243 2.323 0.667 44 HA ARG 8 HA ARG 8 -2.030 0.815 0.950 45 HB2 ARG 8 HB2 ARG 8 0.347 -1.061 0.498 46 HB3 ARG 8 HB3 ARG 8 -1.339 -1.545 0.356 47 HG2 ARG 8 HG2 ARG 8 -0.089 0.707 -1.246 48 HG3 ARG 8 HG3 ARG 8 -0.277 -0.936 -1.848 49 HD2 ARG 8 HD2 ARG 8 -2.804 -0.452 -0.939 50 HD3 ARG 8 HD3 ARG 8 -2.327 1.170 -1.437 51 HE ARG 8 HE ARG 8 -1.751 0.098 -3.686 52 HH11 ARG 8 HH11 ARG 8 -4.710 0.115 -2.481 53 HH12 ARG 8 HH12 ARG 8 -5.297 -1.348 -3.198 54 HH21 ARG 8 HH21 ARG 8 -2.095 -2.390 -4.172 55 HH22 ARG 8 HH22 ARG 8 -3.776 -2.803 -4.182 56 H LYS 9 H LYS 9 -0.725 1.649 3.383 57 HA LYS 9 HA LYS 9 -0.787 -0.818 5.043 58 HB2 LYS 9 HB2 LYS 9 1.105 0.844 5.286 59 HB3 LYS 9 HB3 LYS 9 -0.065 2.053 5.801 60 HG2 LYS 9 HG2 LYS 9 -0.708 0.659 7.715 61 HG3 LYS 9 HG3 LYS 9 0.383 -0.614 7.181 62 HD2 LYS 9 HD2 LYS 9 1.853 0.421 8.602 63 HD3 LYS 9 HD3 LYS 9 2.098 1.499 7.232 64 HE2 LYS 9 HE2 LYS 9 1.623 2.988 8.997 65 HE3 LYS 9 HE3 LYS 9 0.066 2.816 8.197 66 HZ1 LYS 9 HZ1 LYS 9 -0.774 2.087 10.084 67 HZ2 LYS 9 HZ2 LYS 9 0.740 2.212 10.844 68 HZ3 LYS 9 HZ3 LYS 9 0.294 0.766 10.072 69 H LYS 10 H LYS 10 -2.622 2.016 4.304 70 HA LYS 10 HA LYS 10 -4.606 1.204 6.392 71 HB2 LYS 10 HB2 LYS 10 -3.133 3.528 6.514 72 HB3 LYS 10 HB3 LYS 10 -4.522 4.080 5.584 73 HG2 LYS 10 HG2 LYS 10 -6.051 3.496 7.313 74 HG3 LYS 10 HG3 LYS 10 -4.866 2.486 8.132 75 HD2 LYS 10 HD2 LYS 10 -4.541 5.478 7.779 76 HD3 LYS 10 HD3 LYS 10 -5.242 4.744 9.217 77 HE2 LYS 10 HE2 LYS 10 -2.948 3.263 8.909 78 HE3 LYS 10 HE3 LYS 10 -2.422 4.841 8.338 79 HZ1 LYS 10 HZ1 LYS 10 -2.569 4.067 10.926 80 HZ2 LYS 10 HZ2 LYS 10 -3.989 4.978 10.733 81 HZ3 LYS 10 HZ3 LYS 10 -2.482 5.673 10.379 82 H ARG 11 H ARG 11 -6.274 3.496 5.476 83 HA ARG 11 HA ARG 11 -7.529 2.032 3.240 84 HB2 ARG 11 HB2 ARG 11 -9.254 4.034 3.659 85 HB3 ARG 11 HB3 ARG 11 -9.175 2.692 4.794 86 HG2 ARG 11 HG2 ARG 11 -8.182 3.964 6.433 87 HG3 ARG 11 HG3 ARG 11 -7.269 4.925 5.276 88 HD2 ARG 11 HD2 ARG 11 -9.050 6.392 4.888 89 HD3 ARG 11 HD3 ARG 11 -10.263 5.208 5.371 90 HE ARG 11 HE ARG 11 -10.101 6.470 7.387 91 HH11 ARG 11 HH11 ARG 11 -7.616 7.951 6.763 92 HH12 ARG 11 HH12 ARG 11 -6.483 7.303 7.900 93 HH21 ARG 11 HH21 ARG 11 -8.467 4.495 8.581 94 HH22 ARG 11 HH22 ARG 11 -6.977 5.295 8.958 95 H VAL 12 H VAL 12 -8.757 3.747 1.747 96 HA VAL 12 HA VAL 12 -6.573 5.162 0.354 97 HB VAL 12 HB VAL 12 -8.221 5.243 -1.512 98 HG11 VAL 12 HG11 VAL 12 -6.987 3.072 -0.906 99 HG12 VAL 12 HG12 VAL 12 -8.426 2.894 -1.906 100 HG13 VAL 12 HG13 VAL 12 -8.502 2.541 -0.182 101 HG21 VAL 12 HG21 VAL 12 -10.102 4.394 0.692 102 HG22 VAL 12 HG22 VAL 12 -10.487 4.084 -0.998 103 HG23 VAL 12 HG23 VAL 12 -10.273 5.738 -0.433 104 HA PRO 13 HA PRO 13 -7.740 9.186 1.615 105 HB2 PRO 13 HB2 PRO 13 -7.629 10.355 -1.055 106 HB3 PRO 13 HB3 PRO 13 -6.430 10.484 0.231 107 HG2 PRO 13 HG2 PRO 13 -6.270 8.900 -2.191 108 HG3 PRO 13 HG3 PRO 13 -5.058 9.046 -0.917 109 HD2 PRO 13 HD2 PRO 13 -6.731 6.780 -1.474 110 HD3 PRO 13 HD3 PRO 13 -5.570 6.961 -0.153 111 H TYR 14 H TYR 14 -9.013 11.054 -0.370 112 HA TYR 14 HA TYR 14 -11.221 11.733 -0.796 113 HB2 TYR 14 HB2 TYR 14 -11.062 8.844 -1.738 114 HB3 TYR 14 HB3 TYR 14 -12.594 9.707 -1.840 115 HD1 TYR 14 HD1 TYR 14 -12.191 12.279 -2.733 116 HD2 TYR 14 HD2 TYR 14 -9.796 8.899 -3.696 117 HE1 TYR 14 HE1 TYR 14 -11.426 13.403 -4.770 118 HE2 TYR 14 HE2 TYR 14 -9.032 10.024 -5.733 119 HH TYR 14 HH TYR 14 -9.967 11.863 -7.286 120 H THR 15 H THR 15 -11.022 11.587 1.752 121 HA THR 15 HA THR 15 -13.183 9.785 2.770 122 HB THR 15 HB THR 15 -11.342 11.376 4.598 123 HG1 THR 15 HG1 THR 15 -10.046 9.292 4.194 124 HG21 THR 15 HG21 THR 15 -11.330 8.965 5.652 125 HG22 THR 15 HG22 THR 15 -12.632 8.593 4.526 126 HG23 THR 15 HG23 THR 15 -12.856 9.837 5.752 127 H LYS 16 H LYS 16 -13.630 11.227 5.154 128 HA LYS 16 HA LYS 16 -15.383 13.347 4.073 129 HB2 LYS 16 HB2 LYS 16 -16.157 11.586 5.755 130 HB3 LYS 16 HB3 LYS 16 -15.093 12.330 6.943 131 HG2 LYS 16 HG2 LYS 16 -16.558 14.463 5.826 132 HG3 LYS 16 HG3 LYS 16 -17.733 13.175 6.072 133 HD2 LYS 16 HD2 LYS 16 -15.809 14.238 8.168 134 HD3 LYS 16 HD3 LYS 16 -17.537 14.566 8.102 135 HE2 LYS 16 HE2 LYS 16 -17.023 11.707 7.952 136 HE3 LYS 16 HE3 LYS 16 -16.288 12.398 9.393 137 HZ1 LYS 16 HZ1 LYS 16 -18.360 12.047 10.173 138 HZ2 LYS 16 HZ2 LYS 16 -19.098 12.200 8.651 139 HZ3 LYS 16 HZ3 LYS 16 -18.621 13.588 9.506 140 H VAL 17 H VAL 17 -12.517 13.022 6.063 141 HA VAL 17 HA VAL 17 -12.641 15.786 7.047 142 HB VAL 17 HB VAL 17 -11.367 14.404 8.505 143 HG11 VAL 17 HG11 VAL 17 -11.230 12.342 7.412 144 HG12 VAL 17 HG12 VAL 17 -9.544 12.852 7.381 145 HG13 VAL 17 HG13 VAL 17 -10.550 13.051 5.949 146 HG21 VAL 17 HG21 VAL 17 -9.176 15.277 6.603 147 HG22 VAL 17 HG22 VAL 17 -9.078 15.108 8.352 148 HG23 VAL 17 HG23 VAL 17 -10.029 16.410 7.645 149 H GLN 18 H GLN 18 -11.657 14.066 4.370 150 HA GLN 18 HA GLN 18 -9.702 15.969 3.330 151 HB2 GLN 18 HB2 GLN 18 -10.949 13.339 2.684 152 HB3 GLN 18 HB3 GLN 18 -10.631 14.305 1.276 153 HG2 GLN 18 HG2 GLN 18 -8.556 13.299 1.457 154 HG3 GLN 18 HG3 GLN 18 -8.282 14.646 2.543 155 HE21 GLN 18 HE21 GLN 18 -8.378 14.259 4.863 156 HE22 GLN 18 HE22 GLN 18 -8.288 12.683 5.488 157 H LEU 19 H LEU 19 -12.979 14.930 2.365 158 HA LEU 19 HA LEU 19 -13.259 17.120 0.498 159 HB2 LEU 19 HB2 LEU 19 -15.157 15.079 1.724 160 HB3 LEU 19 HB3 LEU 19 -15.741 16.333 0.639 161 HG LEU 19 HG LEU 19 -13.484 14.436 -0.059 162 HD11 LEU 19 HD11 LEU 19 -16.447 14.335 -0.682 163 HD12 LEU 19 HD12 LEU 19 -15.493 13.113 0.151 164 HD13 LEU 19 HD13 LEU 19 -15.243 13.404 -1.566 165 HD21 LEU 19 HD21 LEU 19 -14.866 16.720 -1.365 166 HD22 LEU 19 HD22 LEU 19 -14.531 15.327 -2.391 167 HD23 LEU 19 HD23 LEU 19 -13.211 16.149 -1.562 168 H LYS 20 H LYS 20 -13.415 16.929 3.845 169 HA LYS 20 HA LYS 20 -15.454 19.042 4.116 170 HB2 LYS 20 HB2 LYS 20 -15.486 17.368 5.860 171 HB3 LYS 20 HB3 LYS 20 -13.743 17.466 6.086 172 HG2 LYS 20 HG2 LYS 20 -13.912 19.685 7.019 173 HG3 LYS 20 HG3 LYS 20 -15.617 19.793 6.591 174 HD2 LYS 20 HD2 LYS 20 -15.996 17.760 8.084 175 HD3 LYS 20 HD3 LYS 20 -14.344 17.972 8.652 176 HE2 LYS 20 HE2 LYS 20 -15.010 20.413 9.150 177 HE3 LYS 20 HE3 LYS 20 -16.673 19.882 8.936 178 HZ1 LYS 20 HZ1 LYS 20 -16.041 19.792 11.242 179 HZ2 LYS 20 HZ2 LYS 20 -14.725 18.778 10.882 180 HZ3 LYS 20 HZ3 LYS 20 -16.315 18.220 10.659 181 H GLU 21 H GLU 21 -11.937 18.630 4.514 182 HA GLU 21 HA GLU 21 -11.633 21.403 5.433 183 HB2 GLU 21 HB2 GLU 21 -10.015 19.348 5.829 184 HB3 GLU 21 HB3 GLU 21 -9.431 19.688 4.204 185 HG2 GLU 21 HG2 GLU 21 -8.014 20.894 5.770 186 HG3 GLU 21 HG3 GLU 21 -9.021 22.076 4.939 187 H LEU 22 H LEU 22 -12.052 19.713 2.620 188 HA LEU 22 HA LEU 22 -10.769 21.563 0.793 189 HB2 LEU 22 HB2 LEU 22 -11.071 19.146 0.357 190 HB3 LEU 22 HB3 LEU 22 -12.815 19.330 0.473 191 HG LEU 22 HG LEU 22 -12.916 20.599 -1.524 192 HD11 LEU 22 HD11 LEU 22 -10.640 21.105 -2.704 193 HD12 LEU 22 HD12 LEU 22 -9.938 20.867 -1.106 194 HD13 LEU 22 HD13 LEU 22 -11.119 22.147 -1.365 195 HD21 LEU 22 HD21 LEU 22 -12.396 18.862 -2.925 196 HD22 LEU 22 HD22 LEU 22 -11.996 18.027 -1.426 197 HD23 LEU 22 HD23 LEU 22 -10.737 18.808 -2.374 198 H GLU 23 H GLU 23 -14.132 20.754 1.643 199 HA GLU 23 HA GLU 23 -15.257 22.807 -0.050 200 HB2 GLU 23 HB2 GLU 23 -16.242 20.961 2.127 201 HB3 GLU 23 HB3 GLU 23 -17.238 22.361 1.746 202 HG2 GLU 23 HG2 GLU 23 -17.271 21.698 -0.636 203 HG3 GLU 23 HG3 GLU 23 -16.256 20.307 -0.268 204 H ARG 24 H ARG 24 -13.748 22.784 2.990 205 HA ARG 24 HA ARG 24 -15.081 25.176 4.009 206 HB2 ARG 24 HB2 ARG 24 -12.931 23.286 4.858 207 HB3 ARG 24 HB3 ARG 24 -12.735 24.933 5.442 208 HG2 ARG 24 HG2 ARG 24 -14.108 23.362 6.933 209 HG3 ARG 24 HG3 ARG 24 -14.854 24.904 6.542 210 HD2 ARG 24 HD2 ARG 24 -15.447 22.853 4.538 211 HD3 ARG 24 HD3 ARG 24 -16.005 22.399 6.143 212 HE ARG 24 HE ARG 24 -17.079 24.567 4.513 213 HH11 ARG 24 HH11 ARG 24 -18.032 22.577 6.823 214 HH12 ARG 24 HH12 ARG 24 -18.667 23.745 7.934 215 HH21 ARG 24 HH21 ARG 24 -17.199 26.445 6.250 216 HH22 ARG 24 HH22 ARG 24 -18.184 25.992 7.600 217 H GLU 25 H GLU 25 -11.826 24.430 2.774 218 HA GLU 25 HA GLU 25 -10.959 27.167 2.799 219 HB2 GLU 25 HB2 GLU 25 -10.008 24.918 0.963 220 HB3 GLU 25 HB3 GLU 25 -9.093 26.342 1.438 221 HG2 GLU 25 HG2 GLU 25 -10.150 24.696 3.675 222 HG3 GLU 25 HG3 GLU 25 -8.883 23.943 2.712 223 H TYR 26 H TYR 26 -13.056 25.414 0.748 224 HA TYR 26 HA TYR 26 -12.612 27.232 -1.550 225 HB2 TYR 26 HB2 TYR 26 -13.484 24.609 -1.371 226 HB3 TYR 26 HB3 TYR 26 -15.017 25.459 -1.516 227 HD1 TYR 26 HD1 TYR 26 -15.038 27.351 -3.394 228 HD2 TYR 26 HD2 TYR 26 -12.325 24.076 -3.351 229 HE1 TYR 26 HE1 TYR 26 -14.687 27.613 -5.802 230 HE2 TYR 26 HE2 TYR 26 -11.990 24.334 -5.766 231 HH TYR 26 HH TYR 26 -13.797 25.656 -7.760 232 H ALA 27 H ALA 27 -14.926 26.645 1.014 233 HA ALA 27 HA ALA 27 -16.825 28.614 0.002 234 HB1 ALA 27 HB1 ALA 27 -16.514 27.169 2.681 235 HB2 ALA 27 HB2 ALA 27 -17.658 26.779 1.401 236 HB3 ALA 27 HB3 ALA 27 -17.848 28.262 2.329 237 H THR 28 H THR 28 -13.908 28.710 1.704 238 HA THR 28 HA THR 28 -14.425 31.025 3.349 239 HB THR 28 HB THR 28 -12.044 29.367 2.533 240 HG1 THR 28 HG1 THR 28 -11.784 30.288 4.880 241 HG21 THR 28 HG21 THR 28 -10.565 31.218 3.626 242 HG22 THR 28 HG22 THR 28 -11.892 32.334 3.323 243 HG23 THR 28 HG23 THR 28 -11.065 31.564 1.973 244 H ASN 29 H ASN 29 -13.063 30.481 0.143 245 HA ASN 29 HA ASN 29 -13.794 33.245 -0.567 246 HB2 ASN 29 HB2 ASN 29 -10.974 32.294 -0.141 247 HB3 ASN 29 HB3 ASN 29 -11.252 33.304 -1.558 248 HD21 ASN 29 HD21 ASN 29 -10.697 33.388 1.803 249 HD22 ASN 29 HD22 ASN 29 -11.127 35.007 2.078 250 H LYS 30 H LYS 30 -11.492 30.898 -1.906 251 HA LYS 30 HA LYS 30 -13.280 29.900 -3.916 252 HB2 LYS 30 HB2 LYS 30 -12.671 32.461 -4.527 253 HB3 LYS 30 HB3 LYS 30 -11.206 31.715 -5.155 254 HG2 LYS 30 HG2 LYS 30 -12.594 31.569 -7.023 255 HG3 LYS 30 HG3 LYS 30 -12.919 30.019 -6.257 256 HD2 LYS 30 HD2 LYS 30 -14.788 31.348 -4.970 257 HD3 LYS 30 HD3 LYS 30 -14.620 32.506 -6.286 258 HE2 LYS 30 HE2 LYS 30 -14.984 29.555 -6.831 259 HE3 LYS 30 HE3 LYS 30 -16.364 30.614 -6.584 260 HZ1 LYS 30 HZ1 LYS 30 -15.918 30.480 -8.897 261 HZ2 LYS 30 HZ2 LYS 30 -14.278 30.862 -8.673 262 HZ3 LYS 30 HZ3 LYS 30 -15.472 32.034 -8.379 263 H PHE 31 H PHE 31 -9.944 30.830 -3.248 264 HA PHE 31 HA PHE 31 -9.157 28.037 -3.583 265 HB2 PHE 31 HB2 PHE 31 -8.901 29.647 -5.824 266 HB3 PHE 31 HB3 PHE 31 -7.330 29.880 -5.054 267 HD1 PHE 31 HD1 PHE 31 -6.077 27.757 -4.282 268 HD2 PHE 31 HD2 PHE 31 -9.348 27.617 -6.989 269 HE1 PHE 31 HE1 PHE 31 -5.526 25.438 -4.811 270 HE2 PHE 31 HE2 PHE 31 -8.761 25.305 -7.558 271 HZ PHE 31 HZ PHE 31 -6.876 24.202 -6.422 272 H ILE 32 H ILE 32 -6.958 27.679 -2.870 273 HA ILE 32 HA ILE 32 -6.209 29.711 -0.829 274 HB ILE 32 HB ILE 32 -4.998 27.203 -0.237 275 HG12 ILE 32 HG12 ILE 32 -7.144 25.815 -0.092 276 HG13 ILE 32 HG13 ILE 32 -7.884 26.960 -1.195 277 HG21 ILE 32 HG21 ILE 32 -5.884 28.857 1.396 278 HG22 ILE 32 HG22 ILE 32 -6.691 27.315 1.659 279 HG23 ILE 32 HG23 ILE 32 -7.522 28.607 0.798 280 HD11 ILE 32 HD11 ILE 32 -5.737 24.932 -1.706 281 HD12 ILE 32 HD12 ILE 32 -5.622 26.455 -2.582 282 HD13 ILE 32 HD13 ILE 32 -7.056 25.450 -2.752 283 H THR 33 H THR 33 -3.968 29.817 -0.250 284 HA THR 33 HA THR 33 -2.303 30.197 -2.571 285 HB THR 33 HB THR 33 -1.376 30.155 0.358 286 HG1 THR 33 HG1 THR 33 -2.255 32.170 0.452 287 HG21 THR 33 HG21 THR 33 0.467 30.609 -1.205 288 HG22 THR 33 HG22 THR 33 -0.070 32.189 -0.644 289 HG23 THR 33 HG23 THR 33 -0.569 31.599 -2.227 290 H LYS 34 H LYS 34 -0.170 29.291 -2.834 291 HA LYS 34 HA LYS 34 -0.171 26.519 -3.110 292 HB2 LYS 34 HB2 LYS 34 1.973 28.626 -2.951 293 HB3 LYS 34 HB3 LYS 34 2.463 26.934 -2.959 294 HG2 LYS 34 HG2 LYS 34 2.379 27.742 -5.264 295 HG3 LYS 34 HG3 LYS 34 1.077 26.589 -5.017 296 HD2 LYS 34 HD2 LYS 34 0.427 29.440 -4.411 297 HD3 LYS 34 HD3 LYS 34 0.704 29.070 -6.104 298 HE2 LYS 34 HE2 LYS 34 -0.948 27.012 -5.528 299 HE3 LYS 34 HE3 LYS 34 -1.504 28.140 -4.304 300 HZ1 LYS 34 HZ1 LYS 34 -1.958 29.758 -5.964 301 HZ2 LYS 34 HZ2 LYS 34 -2.699 28.303 -6.428 302 HZ3 LYS 34 HZ3 LYS 34 -1.260 28.798 -7.180 303 H ASP 35 H ASP 35 0.796 28.447 -0.351 304 HA ASP 35 HA ASP 35 1.917 26.179 1.079 305 HB2 ASP 35 HB2 ASP 35 0.904 28.850 2.183 306 HB3 ASP 35 HB3 ASP 35 2.053 27.765 2.961 307 H LYS 36 H LYS 36 -1.201 27.668 0.724 308 HA LYS 36 HA LYS 36 -2.328 26.206 2.997 309 HB2 LYS 36 HB2 LYS 36 -3.386 28.148 0.929 310 HB3 LYS 36 HB3 LYS 36 -4.511 27.196 1.886 311 HG2 LYS 36 HG2 LYS 36 -2.297 28.852 3.118 312 HG3 LYS 36 HG3 LYS 36 -3.928 29.462 2.878 313 HD2 LYS 36 HD2 LYS 36 -4.089 26.863 4.110 314 HD3 LYS 36 HD3 LYS 36 -2.963 27.855 5.032 315 HE2 LYS 36 HE2 LYS 36 -5.632 28.962 4.155 316 HE3 LYS 36 HE3 LYS 36 -5.497 27.999 5.620 317 HZ1 LYS 36 HZ1 LYS 36 -3.956 30.464 5.034 318 HZ2 LYS 36 HZ2 LYS 36 -3.846 29.536 6.453 319 HZ3 LYS 36 HZ3 LYS 36 -5.289 30.352 6.082 320 H ARG 37 H ARG 37 -2.277 25.942 -0.526 321 HA ARG 37 HA ARG 37 -4.267 23.814 -0.507 322 HB2 ARG 37 HB2 ARG 37 -3.847 23.658 -2.891 323 HB3 ARG 37 HB3 ARG 37 -3.735 25.365 -2.497 324 HG2 ARG 37 HG2 ARG 37 -1.779 25.204 -3.649 325 HG3 ARG 37 HG3 ARG 37 -1.168 24.668 -2.091 326 HD2 ARG 37 HD2 ARG 37 -1.299 22.360 -2.731 327 HD3 ARG 37 HD3 ARG 37 -2.307 22.729 -4.127 328 HE ARG 37 HE ARG 37 0.583 23.472 -3.935 329 HH11 ARG 37 HH11 ARG 37 -1.179 24.870 -5.935 330 HH12 ARG 37 HH12 ARG 37 -0.937 23.911 -7.357 331 HH21 ARG 37 HH21 ARG 37 0.443 21.237 -5.560 332 HH22 ARG 37 HH22 ARG 37 0.006 21.798 -7.138 333 H ARG 38 H ARG 38 -0.857 24.036 -0.050 334 HA ARG 38 HA ARG 38 -0.472 21.190 -0.670 335 HB2 ARG 38 HB2 ARG 38 1.879 21.584 -0.098 336 HB3 ARG 38 HB3 ARG 38 1.360 22.977 -1.039 337 HG2 ARG 38 HG2 ARG 38 0.968 24.229 1.022 338 HG3 ARG 38 HG3 ARG 38 1.449 22.848 1.987 339 HD2 ARG 38 HD2 ARG 38 3.289 24.561 1.629 340 HD3 ARG 38 HD3 ARG 38 3.703 22.934 1.089 341 HE ARG 38 HE ARG 38 2.594 24.201 -1.150 342 HH11 ARG 38 HH11 ARG 38 5.396 23.988 0.745 343 HH12 ARG 38 HH12 ARG 38 6.342 25.064 -0.228 344 HH21 ARG 38 HH21 ARG 38 3.638 25.881 -2.305 345 HH22 ARG 38 HH22 ARG 38 5.319 26.164 -2.001 346 H ARG 39 H ARG 39 -1.280 23.320 1.846 347 HA ARG 39 HA ARG 39 -0.524 21.729 4.095 348 HB2 ARG 39 HB2 ARG 39 -1.715 24.210 3.681 349 HB3 ARG 39 HB3 ARG 39 -3.087 23.260 4.231 350 HG2 ARG 39 HG2 ARG 39 -2.184 24.039 6.229 351 HG3 ARG 39 HG3 ARG 39 -1.456 22.448 6.084 352 HD2 ARG 39 HD2 ARG 39 0.330 23.974 4.680 353 HD3 ARG 39 HD3 ARG 39 -0.195 25.114 5.917 354 HE ARG 39 HE ARG 39 0.997 22.438 6.519 355 HH11 ARG 39 HH11 ARG 39 -0.538 25.143 7.791 356 HH12 ARG 39 HH12 ARG 39 0.614 25.432 9.052 357 HH21 ARG 39 HH21 ARG 39 2.826 22.985 7.868 358 HH22 ARG 39 HH22 ARG 39 2.568 24.178 9.097 359 H ILE 40 H ILE 40 -3.457 22.089 2.197 360 HA ILE 40 HA ILE 40 -5.062 20.175 3.490 361 HB ILE 40 HB ILE 40 -4.821 20.771 0.501 362 HG12 ILE 40 HG12 ILE 40 -6.752 22.056 2.438 363 HG13 ILE 40 HG13 ILE 40 -5.170 22.741 2.125 364 HG21 ILE 40 HG21 ILE 40 -7.265 20.152 0.534 365 HG22 ILE 40 HG22 ILE 40 -7.092 19.706 2.227 366 HG23 ILE 40 HG23 ILE 40 -6.220 18.812 0.986 367 HD11 ILE 40 HD11 ILE 40 -6.381 23.837 0.471 368 HD12 ILE 40 HD12 ILE 40 -7.521 22.511 0.294 369 HD13 ILE 40 HD13 ILE 40 -5.927 22.398 -0.425 370 H SER 41 H SER 41 -3.424 19.711 0.389 371 HA SER 41 HA SER 41 -3.497 16.999 0.105 372 HB2 SER 41 HB2 SER 41 -1.874 17.457 -1.502 373 HB3 SER 41 HB3 SER 41 -1.913 19.122 -0.922 374 HG SER 41 HG SER 41 0.116 17.564 -0.768 375 H ALA 42 H ALA 42 -1.488 18.715 2.451 376 HA ALA 42 HA ALA 42 -0.028 16.284 3.199 377 HB1 ALA 42 HB1 ALA 42 0.864 18.698 3.339 378 HB2 ALA 42 HB2 ALA 42 1.091 17.735 4.796 379 HB3 ALA 42 HB3 ALA 42 -0.207 18.923 4.719 380 H THR 43 H THR 43 -2.881 17.939 4.133 381 HA THR 43 HA THR 43 -3.056 16.446 6.695 382 HB THR 43 HB THR 43 -5.271 18.258 5.625 383 HG1 THR 43 HG1 THR 43 -2.869 18.981 5.460 384 HG21 THR 43 HG21 THR 43 -5.568 17.364 7.906 385 HG22 THR 43 HG22 THR 43 -5.046 19.036 8.089 386 HG23 THR 43 HG23 THR 43 -3.894 17.725 8.315 387 H THR 44 H THR 44 -4.314 16.684 3.515 388 HA THR 44 HA THR 44 -6.433 14.719 3.960 389 HB THR 44 HB THR 44 -6.624 15.147 1.367 390 HG1 THR 44 HG1 THR 44 -5.288 17.216 1.128 391 HG21 THR 44 HG21 THR 44 -7.633 17.301 1.749 392 HG22 THR 44 HG22 THR 44 -6.375 17.762 2.884 393 HG23 THR 44 HG23 THR 44 -7.632 16.641 3.372 394 H ASN 45 H ASN 45 -3.180 14.804 3.426 395 HA ASN 45 HA ASN 45 -1.565 13.252 2.874 396 HB2 ASN 45 HB2 ASN 45 -2.973 12.062 4.673 397 HB3 ASN 45 HB3 ASN 45 -3.727 11.173 3.353 398 HD21 ASN 45 HD21 ASN 45 -0.325 12.195 3.300 399 HD22 ASN 45 HD22 ASN 45 0.326 10.631 3.396 400 H LEU 46 H LEU 46 -1.975 14.122 0.546 401 HA LEU 46 HA LEU 46 -2.346 11.631 -1.091 402 HB2 LEU 46 HB2 LEU 46 -3.438 13.590 -2.795 403 HB3 LEU 46 HB3 LEU 46 -4.352 12.366 -1.944 404 HG LEU 46 HG LEU 46 -3.998 14.459 -0.059 405 HD11 LEU 46 HD11 LEU 46 -4.989 16.360 -1.352 406 HD12 LEU 46 HD12 LEU 46 -4.719 15.439 -2.826 407 HD13 LEU 46 HD13 LEU 46 -3.356 15.958 -1.854 408 HD21 LEU 46 HD21 LEU 46 -6.069 13.372 0.036 409 HD22 LEU 46 HD22 LEU 46 -6.248 13.341 -1.715 410 HD23 LEU 46 HD23 LEU 46 -6.522 14.824 -0.830 411 H SER 47 H SER 47 -2.170 14.696 -2.708 412 HA SER 47 HA SER 47 0.786 14.375 -2.946 413 HB2 SER 47 HB2 SER 47 -0.947 15.006 -5.347 414 HB3 SER 47 HB3 SER 47 0.707 14.407 -5.337 415 HG SER 47 HG SER 47 -1.650 13.050 -5.106 416 H GLU 48 H GLU 48 -0.602 16.481 -5.136 417 HA GLU 48 HA GLU 48 -0.854 18.797 -3.466 418 HB2 GLU 48 HB2 GLU 48 1.698 18.263 -5.028 419 HB3 GLU 48 HB3 GLU 48 1.160 19.913 -4.748 420 HG2 GLU 48 HG2 GLU 48 0.925 19.003 -2.221 421 HG3 GLU 48 HG3 GLU 48 2.179 17.888 -2.783 422 H ARG 49 H ARG 49 0.290 17.904 -6.688 423 HA ARG 49 HA ARG 49 -1.241 19.860 -8.051 424 HB2 ARG 49 HB2 ARG 49 -0.764 17.238 -9.429 425 HB3 ARG 49 HB3 ARG 49 -0.319 18.859 -9.958 426 HG2 ARG 49 HG2 ARG 49 1.371 18.685 -7.902 427 HG3 ARG 49 HG3 ARG 49 1.186 16.959 -8.192 428 HD2 ARG 49 HD2 ARG 49 2.830 17.283 -9.751 429 HD3 ARG 49 HD3 ARG 49 1.515 17.900 -10.750 430 HE ARG 49 HE ARG 49 2.716 19.920 -9.005 431 HH11 ARG 49 HH11 ARG 49 1.597 19.400 -12.015 432 HH12 ARG 49 HH12 ARG 49 2.896 20.149 -12.880 433 HH21 ARG 49 HH21 ARG 49 4.916 20.398 -10.025 434 HH22 ARG 49 HH22 ARG 49 4.827 20.730 -11.723 435 H GLN 50 H GLN 50 -1.899 16.907 -6.514 436 HA GLN 50 HA GLN 50 -4.303 16.168 -7.919 437 HB2 GLN 50 HB2 GLN 50 -2.765 14.754 -6.328 438 HB3 GLN 50 HB3 GLN 50 -3.650 15.499 -5.010 439 HG2 GLN 50 HG2 GLN 50 -4.768 13.780 -7.245 440 HG3 GLN 50 HG3 GLN 50 -4.699 13.379 -5.533 441 HE21 GLN 50 HE21 GLN 50 -6.898 14.219 -7.773 442 HE22 GLN 50 HE22 GLN 50 -7.964 15.148 -6.833 443 H VAL 51 H VAL 51 -3.536 18.093 -5.016 444 HA VAL 51 HA VAL 51 -6.275 18.488 -4.265 445 HB VAL 51 HB VAL 51 -4.078 20.519 -3.824 446 HG11 VAL 51 HG11 VAL 51 -5.372 20.662 -1.604 447 HG12 VAL 51 HG12 VAL 51 -6.602 19.672 -2.373 448 HG13 VAL 51 HG13 VAL 51 -6.214 21.262 -3.024 449 HG21 VAL 51 HG21 VAL 51 -2.902 18.855 -2.832 450 HG22 VAL 51 HG22 VAL 51 -4.247 17.745 -2.906 451 HG23 VAL 51 HG23 VAL 51 -4.124 18.884 -1.577 452 H THR 52 H THR 52 -3.949 20.456 -5.930 453 HA THR 52 HA THR 52 -5.436 22.600 -6.764 454 HB THR 52 HB THR 52 -3.975 21.298 -8.990 455 HG1 THR 52 HG1 THR 52 -3.144 20.253 -7.108 456 HG21 THR 52 HG21 THR 52 -2.372 23.245 -8.484 457 HG22 THR 52 HG22 THR 52 -3.462 23.705 -7.180 458 HG23 THR 52 HG23 THR 52 -4.015 23.759 -8.848 459 H ILE 53 H ILE 53 -5.321 19.364 -8.096 460 HA ILE 53 HA ILE 53 -7.335 19.859 -10.127 461 HB ILE 53 HB ILE 53 -5.564 17.653 -9.150 462 HG12 ILE 53 HG12 ILE 53 -4.979 18.889 -11.140 463 HG13 ILE 53 HG13 ILE 53 -5.367 17.239 -11.606 464 HG21 ILE 53 HG21 ILE 53 -7.496 16.292 -8.953 465 HG22 ILE 53 HG22 ILE 53 -7.047 16.022 -10.634 466 HG23 ILE 53 HG23 ILE 53 -8.350 17.128 -10.238 467 HD11 ILE 53 HD11 ILE 53 -7.831 18.518 -11.777 468 HD12 ILE 53 HD12 ILE 53 -6.770 18.179 -13.134 469 HD13 ILE 53 HD13 ILE 53 -6.712 19.748 -12.341 470 H TRP 54 H TRP 54 -7.185 18.669 -6.867 471 HA TRP 54 HA TRP 54 -9.726 17.377 -6.746 472 HB2 TRP 54 HB2 TRP 54 -7.786 17.384 -5.036 473 HB3 TRP 54 HB3 TRP 54 -8.346 18.953 -4.520 474 HD1 TRP 54 HD1 TRP 54 -11.429 17.349 -5.207 475 HE1 TRP 54 HE1 TRP 54 -12.279 16.156 -3.136 476 HE3 TRP 54 HE3 TRP 54 -7.297 17.600 -2.573 477 HZ2 TRP 54 HZ2 TRP 54 -11.184 15.483 -0.427 478 HZ3 TRP 54 HZ3 TRP 54 -7.142 16.813 -0.272 479 HH2 TRP 54 HH2 TRP 54 -9.073 15.752 0.814 480 H PHE 55 H PHE 55 -8.543 20.676 -6.308 481 HA PHE 55 HA PHE 55 -11.118 21.684 -5.503 482 HB2 PHE 55 HB2 PHE 55 -8.556 22.846 -6.562 483 HB3 PHE 55 HB3 PHE 55 -9.989 23.870 -6.528 484 HD1 PHE 55 HD1 PHE 55 -8.329 21.360 -4.312 485 HD2 PHE 55 HD2 PHE 55 -10.321 25.099 -4.568 486 HE1 PHE 55 HE1 PHE 55 -8.079 21.635 -1.908 487 HE2 PHE 55 HE2 PHE 55 -10.116 25.355 -2.155 488 HZ PHE 55 HZ PHE 55 -8.995 23.648 -0.810 489 H GLN 56 H GLN 56 -9.485 21.451 -8.651 490 HA GLN 56 HA GLN 56 -11.499 22.775 -10.168 491 HB2 GLN 56 HB2 GLN 56 -9.559 20.528 -10.809 492 HB3 GLN 56 HB3 GLN 56 -10.606 21.213 -12.034 493 HG2 GLN 56 HG2 GLN 56 -8.792 22.935 -10.330 494 HG3 GLN 56 HG3 GLN 56 -8.260 22.245 -11.862 495 HE21 GLN 56 HE21 GLN 56 -10.670 22.478 -13.359 496 HE22 GLN 56 HE22 GLN 56 -11.023 24.124 -13.573 497 H ASN 57 H ASN 57 -11.320 19.567 -8.824 498 HA ASN 57 HA ASN 57 -13.492 18.491 -10.400 499 HB2 ASN 57 HB2 ASN 57 -11.720 17.603 -8.185 500 HB3 ASN 57 HB3 ASN 57 -13.365 16.992 -8.038 501 HD21 ASN 57 HD21 ASN 57 -13.036 14.832 -8.714 502 HD22 ASN 57 HD22 ASN 57 -12.450 14.406 -10.249 503 H ARG 58 H ARG 58 -13.005 19.869 -7.239 504 HA ARG 58 HA ARG 58 -15.643 19.564 -6.284 505 HB2 ARG 58 HB2 ARG 58 -13.199 20.836 -5.500 506 HB3 ARG 58 HB3 ARG 58 -14.427 22.083 -5.466 507 HG2 ARG 58 HG2 ARG 58 -14.822 19.367 -4.179 508 HG3 ARG 58 HG3 ARG 58 -14.154 20.739 -3.307 509 HD2 ARG 58 HD2 ARG 58 -16.638 21.341 -4.785 510 HD3 ARG 58 HD3 ARG 58 -16.834 20.187 -3.471 511 HE ARG 58 HE ARG 58 -15.992 21.898 -1.929 512 HH11 ARG 58 HH11 ARG 58 -14.468 23.357 -4.147 513 HH12 ARG 58 HH12 ARG 58 -15.392 24.817 -4.279 514 HH21 ARG 58 HH21 ARG 58 -18.104 23.496 -2.495 515 HH22 ARG 58 HH22 ARG 58 -17.505 24.897 -3.320 516 H ARG 59 H ARG 59 -14.223 21.580 -8.712 517 HA ARG 59 HA ARG 59 -16.450 23.546 -8.616 518 HB2 ARG 59 HB2 ARG 59 -14.154 24.299 -9.295 519 HB3 ARG 59 HB3 ARG 59 -14.156 23.139 -10.616 520 HG2 ARG 59 HG2 ARG 59 -16.095 24.276 -11.632 521 HG3 ARG 59 HG3 ARG 59 -16.130 25.424 -10.298 522 HD2 ARG 59 HD2 ARG 59 -13.585 25.790 -10.983 523 HD3 ARG 59 HD3 ARG 59 -14.146 25.179 -12.539 524 HE ARG 59 HE ARG 59 -15.095 27.306 -12.852 525 HH11 ARG 59 HH11 ARG 59 -14.030 27.171 -9.706 526 HH12 ARG 59 HH12 ARG 59 -15.179 28.291 -9.056 527 HH21 ARG 59 HH21 ARG 59 -17.034 28.417 -12.027 528 HH22 ARG 59 HH22 ARG 59 -16.926 29.015 -10.407 529 H VAL 60 H VAL 60 -15.489 20.644 -10.057 530 HA VAL 60 HA VAL 60 -17.431 20.780 -12.240 531 HB VAL 60 HB VAL 60 -15.029 19.384 -11.640 532 HG11 VAL 60 HG11 VAL 60 -16.544 17.695 -10.463 533 HG12 VAL 60 HG12 VAL 60 -15.557 17.033 -11.759 534 HG13 VAL 60 HG13 VAL 60 -17.263 17.365 -12.033 535 HG21 VAL 60 HG21 VAL 60 -17.013 18.865 -13.885 536 HG22 VAL 60 HG22 VAL 60 -15.291 18.501 -13.920 537 HG23 VAL 60 HG23 VAL 60 -15.836 20.174 -13.863 538 H LYS 61 H LYS 61 -17.367 20.029 -8.972 539 HA LYS 61 HA LYS 61 -19.563 18.064 -9.091 540 HB2 LYS 61 HB2 LYS 61 -17.635 17.941 -7.403 541 HB3 LYS 61 HB3 LYS 61 -18.278 19.401 -6.656 542 HG2 LYS 61 HG2 LYS 61 -20.533 17.851 -6.805 543 HG3 LYS 61 HG3 LYS 61 -19.298 16.624 -6.551 544 HD2 LYS 61 HD2 LYS 61 -18.444 17.955 -4.602 545 HD3 LYS 61 HD3 LYS 61 -19.778 19.079 -4.827 546 HE2 LYS 61 HE2 LYS 61 -21.364 17.124 -4.584 547 HE3 LYS 61 HE3 LYS 61 -19.980 16.126 -4.158 548 HZ1 LYS 61 HZ1 LYS 61 -21.025 16.911 -2.178 549 HZ2 LYS 61 HZ2 LYS 61 -20.949 18.523 -2.706 550 HZ3 LYS 61 HZ3 LYS 61 -19.521 17.684 -2.329 551 H GLU 62 H GLU 62 -18.991 21.443 -8.315 552 HA GLU 62 HA GLU 62 -21.582 21.888 -7.104 553 HB2 GLU 62 HB2 GLU 62 -20.897 24.156 -7.022 554 HB3 GLU 62 HB3 GLU 62 -19.349 23.328 -7.078 555 HG2 GLU 62 HG2 GLU 62 -19.119 24.974 -8.746 556 HG3 GLU 62 HG3 GLU 62 -19.565 23.547 -9.664 557 H LYS 63 H LYS 63 -20.297 22.022 -10.341 558 HA LYS 63 HA LYS 63 -22.748 23.210 -11.391 559 HB2 LYS 63 HB2 LYS 63 -21.619 22.835 -13.613 560 HB3 LYS 63 HB3 LYS 63 -20.599 23.713 -12.482 561 HG2 LYS 63 HG2 LYS 63 -19.421 21.642 -11.897 562 HG3 LYS 63 HG3 LYS 63 -20.488 20.714 -12.939 563 HD2 LYS 63 HD2 LYS 63 -18.562 21.072 -14.279 564 HD3 LYS 63 HD3 LYS 63 -19.698 22.293 -14.839 565 HE2 LYS 63 HE2 LYS 63 -18.460 23.623 -12.785 566 HE3 LYS 63 HE3 LYS 63 -17.146 22.624 -13.378 567 HZ1 LYS 63 HZ1 LYS 63 -17.072 23.704 -15.328 568 HZ2 LYS 63 HZ2 LYS 63 -17.752 24.964 -14.416 569 HZ3 LYS 63 HZ3 LYS 63 -18.746 23.985 -15.383 570 H LYS 64 H LYS 64 -21.807 20.133 -10.482 571 HA LYS 64 HA LYS 64 -22.862 18.446 -12.471 572 HB2 LYS 64 HB2 LYS 64 -21.728 17.799 -10.226 573 HB3 LYS 64 HB3 LYS 64 -23.297 18.056 -9.471 574 HG2 LYS 64 HG2 LYS 64 -24.263 16.224 -10.536 575 HG3 LYS 64 HG3 LYS 64 -23.158 16.306 -11.904 576 HD2 LYS 64 HD2 LYS 64 -21.563 15.042 -10.856 577 HD3 LYS 64 HD3 LYS 64 -21.873 15.776 -9.287 578 HE2 LYS 64 HE2 LYS 64 -24.016 14.039 -10.435 579 HE3 LYS 64 HE3 LYS 64 -22.574 13.243 -9.820 580 HZ1 LYS 64 HZ1 LYS 64 -23.152 15.049 -7.893 581 HZ2 LYS 64 HZ2 LYS 64 -23.555 13.400 -7.854 582 HZ3 LYS 64 HZ3 LYS 64 -24.692 14.539 -8.395 583 H VAL 65 H VAL 65 -24.327 20.864 -10.767 584 HA VAL 65 HA VAL 65 -26.929 19.872 -10.276 585 HB VAL 65 HB VAL 65 -25.631 22.283 -9.955 586 HG11 VAL 65 HG11 VAL 65 -26.106 22.682 -12.471 587 HG12 VAL 65 HG12 VAL 65 -26.531 23.976 -11.357 588 HG13 VAL 65 HG13 VAL 65 -27.782 22.909 -11.986 589 HG21 VAL 65 HG21 VAL 65 -27.621 21.389 -8.728 590 HG22 VAL 65 HG22 VAL 65 -28.641 21.957 -10.045 591 HG23 VAL 65 HG23 VAL 65 -27.736 23.112 -9.071 592 H ILE 66 H ILE 66 -25.326 20.748 -13.217 593 HA ILE 66 HA ILE 66 -27.586 21.215 -14.872 594 HB ILE 66 HB ILE 66 -25.169 21.604 -15.503 595 HG12 ILE 66 HG12 ILE 66 -25.405 20.904 -17.823 596 HG13 ILE 66 HG13 ILE 66 -26.599 19.689 -17.383 597 HG21 ILE 66 HG21 ILE 66 -24.466 19.312 -14.523 598 HG22 ILE 66 HG22 ILE 66 -23.771 19.692 -16.096 599 HG23 ILE 66 HG23 ILE 66 -25.131 18.579 -15.980 600 HD11 ILE 66 HD11 ILE 66 -28.259 21.268 -16.987 601 HD12 ILE 66 HD12 ILE 66 -27.359 22.085 -18.260 602 HD13 ILE 66 HD13 ILE 66 -27.105 22.531 -16.577 603 H ASN 67 H ASN 67 -26.004 18.222 -13.877 604 HA ASN 67 HA ASN 67 -27.629 16.558 -15.629 605 HB2 ASN 67 HB2 ASN 67 -26.252 15.585 -13.099 606 HB3 ASN 67 HB3 ASN 67 -26.443 14.742 -14.635 607 HD21 ASN 67 HD21 ASN 67 -24.940 15.229 -16.346 608 HD22 ASN 67 HD22 ASN 67 -23.550 16.171 -16.092 609 H LYS 68 H LYS 68 -27.717 17.499 -12.229 610 HA LYS 68 HA LYS 68 -30.122 15.868 -11.768 611 HB2 LYS 68 HB2 LYS 68 -28.048 16.997 -10.161 612 HB3 LYS 68 HB3 LYS 68 -29.524 17.815 -9.668 613 HG2 LYS 68 HG2 LYS 68 -29.415 14.809 -9.978 614 HG3 LYS 68 HG3 LYS 68 -28.950 15.595 -8.474 615 HD2 LYS 68 HD2 LYS 68 -31.203 16.782 -8.525 616 HD3 LYS 68 HD3 LYS 68 -31.647 15.716 -9.854 617 HE2 LYS 68 HE2 LYS 68 -30.883 13.794 -8.256 618 HE3 LYS 68 HE3 LYS 68 -31.044 15.000 -6.984 619 HZ1 LYS 68 HZ1 LYS 68 -33.080 13.639 -8.505 620 HZ2 LYS 68 HZ2 LYS 68 -33.339 15.309 -8.335 621 HZ3 LYS 68 HZ3 LYS 68 -33.156 14.333 -6.957 622 H LEU 69 H LEU 69 -31.266 17.836 -9.918 623 HA LEU 69 HA LEU 69 -32.875 19.534 -9.937 624 HB2 LEU 69 HB2 LEU 69 -30.743 20.648 -11.132 625 HB3 LEU 69 HB3 LEU 69 -31.776 20.574 -12.553 626 HG LEU 69 HG LEU 69 -32.113 22.723 -11.432 627 HD11 LEU 69 HD11 LEU 69 -34.474 20.940 -10.770 628 HD12 LEU 69 HD12 LEU 69 -34.078 21.421 -12.416 629 HD13 LEU 69 HD13 LEU 69 -34.507 22.642 -11.222 630 HD21 LEU 69 HD21 LEU 69 -32.316 22.957 -9.162 631 HD22 LEU 69 HD22 LEU 69 -31.555 21.369 -9.124 632 HD23 LEU 69 HD23 LEU 69 -33.307 21.509 -9.004 633 H LYS 70 H LYS 70 -34.818 18.737 -10.359 634 HA LYS 70 HA LYS 70 -35.691 17.180 -12.466 635 HB2 LYS 70 HB2 LYS 70 -36.893 18.688 -10.366 636 HB3 LYS 70 HB3 LYS 70 -37.735 19.177 -11.832 637 HG2 LYS 70 HG2 LYS 70 -38.364 16.930 -12.339 638 HG3 LYS 70 HG3 LYS 70 -37.232 16.270 -11.165 639 HD2 LYS 70 HD2 LYS 70 -38.614 16.718 -9.379 640 HD3 LYS 70 HD3 LYS 70 -39.258 18.182 -10.115 641 HE2 LYS 70 HE2 LYS 70 -40.794 16.990 -11.442 642 HE3 LYS 70 HE3 LYS 70 -39.899 15.484 -11.292 643 HZ1 LYS 70 HZ1 LYS 70 -40.481 15.480 -8.912 644 HZ2 LYS 70 HZ2 LYS 70 -41.832 15.369 -9.935 645 HZ3 LYS 70 HZ3 LYS 70 -41.463 16.840 -9.173 646 H THR 71 H THR 71 -35.189 17.580 -14.550 647 HA THR 71 HA THR 71 -34.747 20.002 -15.829 648 HB THR 71 HB THR 71 -35.720 18.747 -17.937 649 HG1 THR 71 HG1 THR 71 -36.368 17.188 -15.717 650 HG21 THR 71 HG21 THR 71 -34.008 16.831 -17.701 651 HG22 THR 71 HG22 THR 71 -33.715 17.377 -16.053 652 HG23 THR 71 HG23 THR 71 -33.313 18.422 -17.411 653 H THR 72 H THR 72 -35.989 21.534 -16.865 654 HA THR 72 HA THR 72 -38.695 21.856 -15.805 655 HB THR 72 HB THR 72 -38.575 23.999 -17.302 656 HG1 THR 72 HG1 THR 72 -35.975 23.917 -17.643 657 HG21 THR 72 HG21 THR 72 -36.652 25.013 -15.977 658 HG22 THR 72 HG22 THR 72 -36.217 23.402 -15.414 659 HG23 THR 72 HG23 THR 72 -37.747 24.125 -14.923 660 H SER 73 H SER 73 -39.908 20.202 -16.721 661 HA SER 73 HA SER 73 -40.734 20.734 -19.508 662 HB2 SER 73 HB2 SER 73 -39.009 19.040 -19.886 663 HB3 SER 73 HB3 SER 73 -39.600 18.058 -18.531 664 HG SER 73 HG SER 73 -40.683 17.192 -20.178 Start of MODEL 13 1 HA MET 1 HA MET 1 -24.960 6.323 22.961 2 H SER 2 H SER 2 -24.876 5.344 19.578 3 HA SER 2 HA SER 2 -21.956 5.679 19.589 4 HB2 SER 2 HB2 SER 2 -23.201 3.005 18.749 5 HB3 SER 2 HB3 SER 2 -21.471 3.388 18.844 6 HG SER 2 HG SER 2 -22.428 2.337 20.750 7 H HIS 3 H HIS 3 -21.392 6.622 17.749 8 HA HIS 3 HA HIS 3 -23.299 7.114 15.660 9 HB2 HIS 3 HB2 HIS 3 -21.225 7.979 14.430 10 HB3 HIS 3 HB3 HIS 3 -21.442 8.675 16.033 11 HD1 HIS 3 HD1 HIS 3 -19.853 5.480 15.002 12 HD2 HIS 3 HD2 HIS 3 -18.961 8.798 17.155 13 HE1 HIS 3 HE1 HIS 3 -17.639 5.060 15.887 14 H MET 4 H MET 4 -21.319 4.452 16.342 15 HA MET 4 HA MET 4 -20.819 3.560 13.649 16 HB2 MET 4 HB2 MET 4 -19.534 2.654 15.546 17 HB3 MET 4 HB3 MET 4 -21.005 2.054 16.305 18 HG2 MET 4 HG2 MET 4 -21.024 0.203 15.036 19 HG3 MET 4 HG3 MET 4 -20.784 1.115 13.570 20 HE1 MET 4 HE1 MET 4 -18.033 -1.661 15.683 21 HE2 MET 4 HE2 MET 4 -19.791 -1.558 15.594 22 HE3 MET 4 HE3 MET 4 -18.899 -0.486 16.673 23 H LEU 5 H LEU 5 -22.631 3.545 12.409 24 HA LEU 5 HA LEU 5 -24.468 1.308 12.844 25 HB2 LEU 5 HB2 LEU 5 -25.363 3.389 14.151 26 HB3 LEU 5 HB3 LEU 5 -25.665 4.100 12.570 27 HG LEU 5 HG LEU 5 -26.852 1.788 12.089 28 HD11 LEU 5 HD11 LEU 5 -26.076 0.874 14.326 29 HD12 LEU 5 HD12 LEU 5 -27.812 0.757 14.058 30 HD13 LEU 5 HD13 LEU 5 -27.165 2.022 15.099 31 HD21 LEU 5 HD21 LEU 5 -27.979 3.985 12.122 32 HD22 LEU 5 HD22 LEU 5 -28.052 3.928 13.880 33 HD23 LEU 5 HD23 LEU 5 -28.973 2.773 12.923 34 H GLU 6 H GLU 6 -23.912 0.504 10.870 35 HA GLU 6 HA GLU 6 -24.917 2.050 8.540 36 HB2 GLU 6 HB2 GLU 6 -22.858 1.618 7.273 37 HB3 GLU 6 HB3 GLU 6 -22.402 2.386 8.789 38 HG2 GLU 6 HG2 GLU 6 -22.333 -0.594 8.206 39 HG3 GLU 6 HG3 GLU 6 -20.934 0.464 8.371 40 H GLY 7 H GLY 7 -24.547 0.516 6.507 41 HA2 GLY 7 HA2 GLY 7 -24.456 -2.113 6.243 42 HA3 GLY 7 HA3 GLY 7 -25.892 -2.028 7.260 43 H ARG 8 H ARG 8 -24.903 0.180 4.686 44 HA ARG 8 HA ARG 8 -27.132 -0.822 2.993 45 HB2 ARG 8 HB2 ARG 8 -27.421 1.882 2.653 46 HB3 ARG 8 HB3 ARG 8 -28.354 0.972 3.834 47 HG2 ARG 8 HG2 ARG 8 -27.340 2.935 4.909 48 HG3 ARG 8 HG3 ARG 8 -26.619 1.466 5.555 49 HD2 ARG 8 HD2 ARG 8 -24.841 3.071 5.047 50 HD3 ARG 8 HD3 ARG 8 -24.736 1.729 3.910 51 HE ARG 8 HE ARG 8 -25.226 3.263 2.189 52 HH11 ARG 8 HH11 ARG 8 -24.501 5.264 4.495 53 HH12 ARG 8 HH12 ARG 8 -25.756 6.437 4.273 54 HH21 ARG 8 HH21 ARG 8 -27.625 4.336 2.178 55 HH22 ARG 8 HH22 ARG 8 -27.570 5.899 2.923 56 H LYS 9 H LYS 9 -27.059 1.140 1.063 57 HA LYS 9 HA LYS 9 -24.792 0.334 -0.478 58 HB2 LYS 9 HB2 LYS 9 -25.561 2.496 -1.838 59 HB3 LYS 9 HB3 LYS 9 -26.622 1.092 -1.773 60 HG2 LYS 9 HG2 LYS 9 -28.054 2.085 -0.203 61 HG3 LYS 9 HG3 LYS 9 -26.820 3.207 0.360 62 HD2 LYS 9 HD2 LYS 9 -26.903 4.276 -1.954 63 HD3 LYS 9 HD3 LYS 9 -28.332 3.297 -2.265 64 HE2 LYS 9 HE2 LYS 9 -28.075 5.131 0.134 65 HE3 LYS 9 HE3 LYS 9 -28.805 5.637 -1.384 66 HZ1 LYS 9 HZ1 LYS 9 -29.747 3.613 0.534 67 HZ2 LYS 9 HZ2 LYS 9 -30.245 3.559 -1.088 68 HZ3 LYS 9 HZ3 LYS 9 -30.589 4.924 -0.139 69 H LYS 10 H LYS 10 -22.759 0.965 -0.291 70 HA LYS 10 HA LYS 10 -21.927 3.081 1.451 71 HB2 LYS 10 HB2 LYS 10 -20.563 1.446 -0.724 72 HB3 LYS 10 HB3 LYS 10 -19.694 2.732 0.106 73 HG2 LYS 10 HG2 LYS 10 -20.180 1.664 2.282 74 HG3 LYS 10 HG3 LYS 10 -21.069 0.386 1.462 75 HD2 LYS 10 HD2 LYS 10 -18.901 -0.525 1.807 76 HD3 LYS 10 HD3 LYS 10 -18.900 -0.021 0.121 77 HE2 LYS 10 HE2 LYS 10 -17.653 1.956 0.607 78 HE3 LYS 10 HE3 LYS 10 -17.946 1.809 2.334 79 HZ1 LYS 10 HZ1 LYS 10 -16.707 -0.407 2.085 80 HZ2 LYS 10 HZ2 LYS 10 -15.809 1.034 2.098 81 HZ3 LYS 10 HZ3 LYS 10 -16.129 0.247 0.627 82 H ARG 11 H ARG 11 -21.158 5.142 0.998 83 HA ARG 11 HA ARG 11 -21.007 6.157 -1.717 84 HB2 ARG 11 HB2 ARG 11 -22.947 7.711 -1.532 85 HB3 ARG 11 HB3 ARG 11 -23.492 6.044 -1.375 86 HG2 ARG 11 HG2 ARG 11 -23.234 6.361 1.163 87 HG3 ARG 11 HG3 ARG 11 -23.093 8.084 0.825 88 HD2 ARG 11 HD2 ARG 11 -25.282 7.949 -0.419 89 HD3 ARG 11 HD3 ARG 11 -25.436 6.281 0.130 90 HE ARG 11 HE ARG 11 -26.245 7.207 2.133 91 HH11 ARG 11 HH11 ARG 11 -25.979 9.961 0.736 92 HH12 ARG 11 HH12 ARG 11 -25.096 10.839 1.939 93 HH21 ARG 11 HH21 ARG 11 -24.194 7.936 3.684 94 HH22 ARG 11 HH22 ARG 11 -24.060 9.662 3.653 95 H VAL 12 H VAL 12 -19.992 6.207 1.314 96 HA VAL 12 HA VAL 12 -19.774 9.067 1.780 97 HB VAL 12 HB VAL 12 -18.169 8.290 3.617 98 HG11 VAL 12 HG11 VAL 12 -19.939 7.072 4.898 99 HG12 VAL 12 HG12 VAL 12 -20.864 6.901 3.410 100 HG13 VAL 12 HG13 VAL 12 -20.569 8.501 4.083 101 HG21 VAL 12 HG21 VAL 12 -17.275 6.308 2.492 102 HG22 VAL 12 HG22 VAL 12 -18.880 5.587 2.424 103 HG23 VAL 12 HG23 VAL 12 -18.080 5.808 3.976 104 HA PRO 13 HA PRO 13 -16.272 9.833 -0.808 105 HB2 PRO 13 HB2 PRO 13 -15.180 11.858 0.952 106 HB3 PRO 13 HB3 PRO 13 -16.122 12.115 -0.515 107 HG2 PRO 13 HG2 PRO 13 -16.980 12.452 2.254 108 HG3 PRO 13 HG3 PRO 13 -17.880 12.830 0.783 109 HD2 PRO 13 HD2 PRO 13 -18.357 10.648 2.579 110 HD3 PRO 13 HD3 PRO 13 -19.154 10.953 1.022 111 H TYR 14 H TYR 14 -13.786 10.723 0.005 112 HA TYR 14 HA TYR 14 -12.567 8.301 0.899 113 HB2 TYR 14 HB2 TYR 14 -11.547 11.178 0.750 114 HB3 TYR 14 HB3 TYR 14 -10.507 9.811 1.139 115 HD1 TYR 14 HD1 TYR 14 -12.952 10.959 -1.453 116 HD2 TYR 14 HD2 TYR 14 -9.521 8.587 -0.620 117 HE1 TYR 14 HE1 TYR 14 -12.709 10.471 -3.842 118 HE2 TYR 14 HE2 TYR 14 -9.278 8.102 -3.010 119 HH TYR 14 HH TYR 14 -11.452 8.267 -5.152 120 H THR 15 H THR 15 -12.194 11.423 2.573 121 HA THR 15 HA THR 15 -12.814 10.001 5.138 122 HB THR 15 HB THR 15 -10.691 12.155 5.164 123 HG1 THR 15 HG1 THR 15 -10.218 9.486 4.319 124 HG21 THR 15 HG21 THR 15 -9.614 10.351 6.641 125 HG22 THR 15 HG22 THR 15 -11.032 9.346 6.366 126 HG23 THR 15 HG23 THR 15 -11.187 10.864 7.243 127 H LYS 16 H LYS 16 -12.784 11.864 6.936 128 HA LYS 16 HA LYS 16 -14.880 13.718 5.990 129 HB2 LYS 16 HB2 LYS 16 -13.889 13.702 8.836 130 HB3 LYS 16 HB3 LYS 16 -15.539 13.819 8.239 131 HG2 LYS 16 HG2 LYS 16 -13.829 11.309 8.180 132 HG3 LYS 16 HG3 LYS 16 -15.128 11.628 9.326 133 HD2 LYS 16 HD2 LYS 16 -16.455 12.086 7.012 134 HD3 LYS 16 HD3 LYS 16 -15.281 10.904 6.441 135 HE2 LYS 16 HE2 LYS 16 -17.012 10.507 8.901 136 HE3 LYS 16 HE3 LYS 16 -17.424 9.886 7.309 137 HZ1 LYS 16 HZ1 LYS 16 -15.258 9.080 9.111 138 HZ2 LYS 16 HZ2 LYS 16 -15.057 8.881 7.438 139 HZ3 LYS 16 HZ3 LYS 16 -16.349 8.119 8.235 140 H VAL 17 H VAL 17 -11.582 13.735 7.014 141 HA VAL 17 HA VAL 17 -11.523 16.627 7.438 142 HB VAL 17 HB VAL 17 -10.032 15.069 8.737 143 HG11 VAL 17 HG11 VAL 17 -8.358 13.763 7.663 144 HG12 VAL 17 HG12 VAL 17 -8.533 14.639 6.146 145 HG13 VAL 17 HG13 VAL 17 -9.792 13.525 6.669 146 HG21 VAL 17 HG21 VAL 17 -8.094 16.426 8.597 147 HG22 VAL 17 HG22 VAL 17 -9.394 17.477 8.043 148 HG23 VAL 17 HG23 VAL 17 -8.319 16.715 6.875 149 H GLN 18 H GLN 18 -11.388 14.424 4.998 150 HA GLN 18 HA GLN 18 -9.669 15.894 3.177 151 HB2 GLN 18 HB2 GLN 18 -11.433 13.446 3.176 152 HB3 GLN 18 HB3 GLN 18 -11.002 14.137 1.642 153 HG2 GLN 18 HG2 GLN 18 -8.556 14.124 2.696 154 HG3 GLN 18 HG3 GLN 18 -9.248 12.845 3.676 155 HE21 GLN 18 HE21 GLN 18 -10.226 13.498 0.310 156 HE22 GLN 18 HE22 GLN 18 -9.621 12.046 -0.322 157 H LEU 19 H LEU 19 -13.150 15.105 3.208 158 HA LEU 19 HA LEU 19 -13.713 17.070 1.137 159 HB2 LEU 19 HB2 LEU 19 -15.309 15.219 2.912 160 HB3 LEU 19 HB3 LEU 19 -16.160 16.546 2.128 161 HG LEU 19 HG LEU 19 -16.131 14.420 0.769 162 HD11 LEU 19 HD11 LEU 19 -15.885 17.023 -0.048 163 HD12 LEU 19 HD12 LEU 19 -16.113 15.667 -1.150 164 HD13 LEU 19 HD13 LEU 19 -14.494 16.289 -0.842 165 HD21 LEU 19 HD21 LEU 19 -13.182 15.065 0.458 166 HD22 LEU 19 HD22 LEU 19 -14.045 13.688 -0.217 167 HD23 LEU 19 HD23 LEU 19 -13.789 13.800 1.521 168 H LYS 20 H LYS 20 -13.256 17.190 4.483 169 HA LYS 20 HA LYS 20 -14.998 19.493 4.930 170 HB2 LYS 20 HB2 LYS 20 -14.578 17.994 6.802 171 HB3 LYS 20 HB3 LYS 20 -12.844 18.089 6.566 172 HG2 LYS 20 HG2 LYS 20 -13.008 20.561 7.112 173 HG3 LYS 20 HG3 LYS 20 -14.680 20.267 7.562 174 HD2 LYS 20 HD2 LYS 20 -13.629 19.936 9.624 175 HD3 LYS 20 HD3 LYS 20 -13.641 18.294 8.996 176 HE2 LYS 20 HE2 LYS 20 -11.383 18.224 8.909 177 HE3 LYS 20 HE3 LYS 20 -11.286 19.767 8.079 178 HZ1 LYS 20 HZ1 LYS 20 -10.895 19.158 10.834 179 HZ2 LYS 20 HZ2 LYS 20 -12.015 20.416 10.622 180 HZ3 LYS 20 HZ3 LYS 20 -10.456 20.546 9.960 181 H GLU 21 H GLU 21 -11.532 18.851 4.463 182 HA GLU 21 HA GLU 21 -10.848 21.657 4.828 183 HB2 GLU 21 HB2 GLU 21 -9.401 19.206 3.755 184 HB3 GLU 21 HB3 GLU 21 -8.663 20.798 3.629 185 HG2 GLU 21 HG2 GLU 21 -9.710 19.678 6.246 186 HG3 GLU 21 HG3 GLU 21 -8.038 19.485 5.724 187 H LEU 22 H LEU 22 -11.842 19.663 2.176 188 HA LEU 22 HA LEU 22 -10.961 21.509 0.117 189 HB2 LEU 22 HB2 LEU 22 -12.257 18.902 0.296 190 HB3 LEU 22 HB3 LEU 22 -13.175 19.917 -0.807 191 HG LEU 22 HG LEU 22 -11.499 18.784 -2.119 192 HD11 LEU 22 HD11 LEU 22 -10.924 20.653 -3.261 193 HD12 LEU 22 HD12 LEU 22 -9.952 21.262 -1.923 194 HD13 LEU 22 HD13 LEU 22 -11.687 21.560 -1.959 195 HD21 LEU 22 HD21 LEU 22 -9.645 19.672 0.098 196 HD22 LEU 22 HD22 LEU 22 -9.028 19.197 -1.481 197 HD23 LEU 22 HD23 LEU 22 -9.925 18.038 -0.501 198 H GLU 23 H GLU 23 -14.153 20.675 1.445 199 HA GLU 23 HA GLU 23 -15.528 22.774 0.015 200 HB2 GLU 23 HB2 GLU 23 -16.284 20.535 1.437 201 HB3 GLU 23 HB3 GLU 23 -16.698 21.807 2.581 202 HG2 GLU 23 HG2 GLU 23 -17.523 21.907 -0.335 203 HG3 GLU 23 HG3 GLU 23 -18.536 21.185 0.914 204 H ARG 24 H ARG 24 -13.570 22.835 2.817 205 HA ARG 24 HA ARG 24 -14.957 25.176 3.964 206 HB2 ARG 24 HB2 ARG 24 -12.532 23.515 4.670 207 HB3 ARG 24 HB3 ARG 24 -12.640 25.132 5.329 208 HG2 ARG 24 HG2 ARG 24 -13.685 23.072 6.648 209 HG3 ARG 24 HG3 ARG 24 -14.488 24.633 6.648 210 HD2 ARG 24 HD2 ARG 24 -15.204 22.784 4.425 211 HD3 ARG 24 HD3 ARG 24 -15.776 22.346 6.019 212 HE ARG 24 HE ARG 24 -16.648 24.672 4.457 213 HH11 ARG 24 HH11 ARG 24 -16.519 22.910 7.401 214 HH12 ARG 24 HH12 ARG 24 -17.736 23.851 8.193 215 HH21 ARG 24 HH21 ARG 24 -18.149 26.003 5.459 216 HH22 ARG 24 HH22 ARG 24 -18.684 25.643 7.066 217 H GLU 25 H GLU 25 -11.824 24.484 2.477 218 HA GLU 25 HA GLU 25 -11.001 27.228 2.426 219 HB2 GLU 25 HB2 GLU 25 -10.116 25.005 0.527 220 HB3 GLU 25 HB3 GLU 25 -9.188 26.422 1.007 221 HG2 GLU 25 HG2 GLU 25 -10.148 24.645 3.211 222 HG3 GLU 25 HG3 GLU 25 -8.854 24.018 2.196 223 H TYR 26 H TYR 26 -13.176 25.402 0.477 224 HA TYR 26 HA TYR 26 -12.893 27.296 -1.788 225 HB2 TYR 26 HB2 TYR 26 -13.695 24.630 -1.622 226 HB3 TYR 26 HB3 TYR 26 -15.236 25.462 -1.774 227 HD1 TYR 26 HD1 TYR 26 -14.178 27.839 -3.433 228 HD2 TYR 26 HD2 TYR 26 -13.595 23.644 -3.814 229 HE1 TYR 26 HE1 TYR 26 -13.782 28.117 -5.829 230 HE2 TYR 26 HE2 TYR 26 -13.214 23.924 -6.217 231 HH TYR 26 HH TYR 26 -14.087 26.399 -7.957 232 H ALA 27 H ALA 27 -15.202 26.444 0.735 233 HA ALA 27 HA ALA 27 -17.107 28.473 -0.135 234 HB1 ALA 27 HB1 ALA 27 -16.904 26.853 2.452 235 HB2 ALA 27 HB2 ALA 27 -17.855 26.405 1.040 236 HB3 ALA 27 HB3 ALA 27 -18.295 27.826 1.984 237 H THR 28 H THR 28 -14.220 28.526 1.591 238 HA THR 28 HA THR 28 -14.972 30.695 3.406 239 HB THR 28 HB THR 28 -12.282 29.413 2.640 240 HG1 THR 28 HG1 THR 28 -13.147 28.115 4.066 241 HG21 THR 28 HG21 THR 28 -11.791 31.719 3.414 242 HG22 THR 28 HG22 THR 28 -11.534 30.649 4.788 243 HG23 THR 28 HG23 THR 28 -13.014 31.598 4.674 244 H ASN 29 H ASN 29 -13.371 30.355 0.292 245 HA ASN 29 HA ASN 29 -13.820 33.215 -0.191 246 HB2 ASN 29 HB2 ASN 29 -11.632 33.309 0.906 247 HB3 ASN 29 HB3 ASN 29 -11.029 31.976 -0.076 248 HD21 ASN 29 HD21 ASN 29 -12.891 34.919 -0.999 249 HD22 ASN 29 HD22 ASN 29 -11.756 35.463 -2.138 250 H LYS 30 H LYS 30 -11.352 31.224 -1.720 251 HA LYS 30 HA LYS 30 -13.106 30.465 -3.949 252 HB2 LYS 30 HB2 LYS 30 -11.063 32.717 -4.144 253 HB3 LYS 30 HB3 LYS 30 -11.426 31.737 -5.558 254 HG2 LYS 30 HG2 LYS 30 -13.925 32.262 -4.977 255 HG3 LYS 30 HG3 LYS 30 -13.250 33.578 -4.022 256 HD2 LYS 30 HD2 LYS 30 -11.837 33.841 -6.356 257 HD3 LYS 30 HD3 LYS 30 -13.388 33.265 -6.960 258 HE2 LYS 30 HE2 LYS 30 -13.650 35.621 -6.872 259 HE3 LYS 30 HE3 LYS 30 -14.439 35.053 -5.407 260 HZ1 LYS 30 HZ1 LYS 30 -11.671 36.102 -5.593 261 HZ2 LYS 30 HZ2 LYS 30 -12.413 35.531 -4.177 262 HZ3 LYS 30 HZ3 LYS 30 -13.010 36.922 -4.945 263 H PHE 31 H PHE 31 -9.777 31.070 -2.966 264 HA PHE 31 HA PHE 31 -9.147 28.264 -3.431 265 HB2 PHE 31 HB2 PHE 31 -8.659 29.993 -5.538 266 HB3 PHE 31 HB3 PHE 31 -7.125 30.060 -4.665 267 HD1 PHE 31 HD1 PHE 31 -5.951 27.894 -4.093 268 HD2 PHE 31 HD2 PHE 31 -9.309 27.999 -6.705 269 HE1 PHE 31 HE1 PHE 31 -5.498 25.588 -4.775 270 HE2 PHE 31 HE2 PHE 31 -8.835 25.698 -7.398 271 HZ PHE 31 HZ PHE 31 -6.947 24.474 -6.398 272 H ILE 32 H ILE 32 -6.967 27.766 -2.666 273 HA ILE 32 HA ILE 32 -6.330 29.583 -0.404 274 HB ILE 32 HB ILE 32 -5.152 27.010 -0.014 275 HG12 ILE 32 HG12 ILE 32 -7.327 25.663 -0.103 276 HG13 ILE 32 HG13 ILE 32 -7.986 26.922 -1.133 277 HG21 ILE 32 HG21 ILE 32 -7.764 28.219 1.040 278 HG22 ILE 32 HG22 ILE 32 -6.166 28.609 1.672 279 HG23 ILE 32 HG23 ILE 32 -6.810 26.981 1.843 280 HD11 ILE 32 HD11 ILE 32 -5.652 26.502 -2.425 281 HD12 ILE 32 HD12 ILE 32 -7.089 25.550 -2.776 282 HD13 ILE 32 HD13 ILE 32 -5.844 24.905 -1.708 283 H THR 33 H THR 33 -4.114 29.611 0.309 284 HA THR 33 HA THR 33 -2.350 30.299 -1.865 285 HB THR 33 HB THR 33 -0.726 30.822 0.004 286 HG1 THR 33 HG1 THR 33 -1.347 30.164 2.051 287 HG21 THR 33 HG21 THR 33 -2.872 32.314 -0.405 288 HG22 THR 33 HG22 THR 33 -2.095 32.466 1.168 289 HG23 THR 33 HG23 THR 33 -3.547 31.487 0.994 290 H LYS 34 H LYS 34 -0.195 29.504 -2.114 291 HA LYS 34 HA LYS 34 -0.010 26.830 -2.755 292 HB2 LYS 34 HB2 LYS 34 2.056 28.883 -1.961 293 HB3 LYS 34 HB3 LYS 34 2.551 27.243 -2.366 294 HG2 LYS 34 HG2 LYS 34 2.643 28.569 -4.399 295 HG3 LYS 34 HG3 LYS 34 1.280 27.471 -4.539 296 HD2 LYS 34 HD2 LYS 34 0.767 30.163 -3.314 297 HD3 LYS 34 HD3 LYS 34 1.048 30.114 -5.046 298 HE2 LYS 34 HE2 LYS 34 -0.787 27.989 -4.412 299 HE3 LYS 34 HE3 LYS 34 -1.368 29.450 -3.632 300 HZ1 LYS 34 HZ1 LYS 34 -0.962 28.907 -6.482 301 HZ2 LYS 34 HZ2 LYS 34 -0.838 30.504 -5.920 302 HZ3 LYS 34 HZ3 LYS 34 -2.280 29.634 -5.694 303 H ASP 35 H ASP 35 0.782 28.321 0.341 304 HA ASP 35 HA ASP 35 1.722 25.796 1.467 305 HB2 ASP 35 HB2 ASP 35 0.834 28.390 2.842 306 HB3 ASP 35 HB3 ASP 35 1.743 27.090 3.607 307 H LYS 36 H LYS 36 -1.258 27.560 1.260 308 HA LYS 36 HA LYS 36 -2.635 25.970 3.250 309 HB2 LYS 36 HB2 LYS 36 -3.515 27.902 1.079 310 HB3 LYS 36 HB3 LYS 36 -4.662 27.084 2.125 311 HG2 LYS 36 HG2 LYS 36 -2.343 28.500 3.379 312 HG3 LYS 36 HG3 LYS 36 -3.699 29.458 2.799 313 HD2 LYS 36 HD2 LYS 36 -5.253 28.183 4.185 314 HD3 LYS 36 HD3 LYS 36 -3.965 27.092 4.684 315 HE2 LYS 36 HE2 LYS 36 -4.349 28.780 6.429 316 HE3 LYS 36 HE3 LYS 36 -2.761 29.015 5.710 317 HZ1 LYS 36 HZ1 LYS 36 -4.641 30.925 5.987 318 HZ2 LYS 36 HZ2 LYS 36 -4.856 30.454 4.370 319 HZ3 LYS 36 HZ3 LYS 36 -3.335 30.991 4.902 320 H ARG 37 H ARG 37 -2.446 25.930 -0.308 321 HA ARG 37 HA ARG 37 -4.379 23.769 -0.517 322 HB2 ARG 37 HB2 ARG 37 -3.585 23.638 -2.878 323 HB3 ARG 37 HB3 ARG 37 -3.822 25.322 -2.433 324 HG2 ARG 37 HG2 ARG 37 -1.438 25.530 -1.931 325 HG3 ARG 37 HG3 ARG 37 -1.184 23.855 -2.363 326 HD2 ARG 37 HD2 ARG 37 -2.304 25.959 -4.252 327 HD3 ARG 37 HD3 ARG 37 -0.628 25.414 -4.252 328 HE ARG 37 HE ARG 37 -2.919 23.594 -4.847 329 HH11 ARG 37 HH11 ARG 37 -1.444 24.844 -7.107 330 HH12 ARG 37 HH12 ARG 37 -0.245 23.653 -7.485 331 HH21 ARG 37 HH21 ARG 37 -0.642 21.992 -4.425 332 HH22 ARG 37 HH22 ARG 37 0.222 21.999 -5.926 333 H ARG 38 H ARG 38 -0.952 24.083 -0.116 334 HA ARG 38 HA ARG 38 -0.342 21.318 -0.672 335 HB2 ARG 38 HB2 ARG 38 1.447 22.995 -0.825 336 HB3 ARG 38 HB3 ARG 38 1.152 23.530 0.824 337 HG2 ARG 38 HG2 ARG 38 1.952 21.448 1.734 338 HG3 ARG 38 HG3 ARG 38 1.986 20.696 0.143 339 HD2 ARG 38 HD2 ARG 38 3.594 22.803 -0.361 340 HD3 ARG 38 HD3 ARG 38 3.902 22.631 1.365 341 HE ARG 38 HE ARG 38 4.612 20.660 -0.718 342 HH11 ARG 38 HH11 ARG 38 5.900 21.994 1.883 343 HH12 ARG 38 HH12 ARG 38 6.203 20.554 2.797 344 HH21 ARG 38 HH21 ARG 38 4.229 18.564 0.691 345 HH22 ARG 38 HH22 ARG 38 5.228 18.561 2.105 346 H ARG 39 H ARG 39 -1.541 23.107 2.022 347 HA ARG 39 HA ARG 39 -0.732 21.240 4.075 348 HB2 ARG 39 HB2 ARG 39 -2.523 23.607 3.820 349 HB3 ARG 39 HB3 ARG 39 -3.100 22.416 4.975 350 HG2 ARG 39 HG2 ARG 39 -1.189 22.620 6.327 351 HG3 ARG 39 HG3 ARG 39 -0.218 23.288 5.018 352 HD2 ARG 39 HD2 ARG 39 -1.454 25.381 5.087 353 HD3 ARG 39 HD3 ARG 39 -2.604 24.713 6.243 354 HE ARG 39 HE ARG 39 -1.071 25.311 7.913 355 HH11 ARG 39 HH11 ARG 39 0.460 27.063 6.111 356 HH12 ARG 39 HH12 ARG 39 2.056 26.394 6.172 357 HH21 ARG 39 HH21 ARG 39 0.947 23.357 7.524 358 HH22 ARG 39 HH22 ARG 39 2.340 24.242 7.001 359 H ILE 40 H ILE 40 -3.681 21.832 2.236 360 HA ILE 40 HA ILE 40 -5.271 19.769 3.252 361 HB ILE 40 HB ILE 40 -4.949 20.599 0.330 362 HG12 ILE 40 HG12 ILE 40 -6.945 21.744 2.298 363 HG13 ILE 40 HG13 ILE 40 -5.348 22.453 2.107 364 HG21 ILE 40 HG21 ILE 40 -7.468 20.024 0.394 365 HG22 ILE 40 HG22 ILE 40 -7.149 19.274 1.953 366 HG23 ILE 40 HG23 ILE 40 -6.362 18.658 0.506 367 HD11 ILE 40 HD11 ILE 40 -7.634 22.379 0.163 368 HD12 ILE 40 HD12 ILE 40 -6.005 22.309 -0.489 369 HD13 ILE 40 HD13 ILE 40 -6.493 23.680 0.494 370 H SER 41 H SER 41 -3.335 19.619 0.270 371 HA SER 41 HA SER 41 -3.418 16.933 -0.255 372 HB2 SER 41 HB2 SER 41 -1.841 17.703 -1.788 373 HB3 SER 41 HB3 SER 41 -1.561 19.143 -0.803 374 HG SER 41 HG SER 41 0.289 18.191 -0.439 375 H ALA 42 H ALA 42 -1.362 18.471 2.206 376 HA ALA 42 HA ALA 42 -0.092 15.948 2.948 377 HB1 ALA 42 HB1 ALA 42 1.031 17.260 4.634 378 HB2 ALA 42 HB2 ALA 42 -0.252 18.467 4.662 379 HB3 ALA 42 HB3 ALA 42 0.837 18.368 3.281 380 H THR 43 H THR 43 -3.027 17.437 3.538 381 HA THR 43 HA THR 43 -3.418 16.101 6.157 382 HB THR 43 HB THR 43 -5.445 17.774 4.550 383 HG1 THR 43 HG1 THR 43 -4.037 18.927 6.598 384 HG21 THR 43 HG21 THR 43 -6.343 18.238 6.791 385 HG22 THR 43 HG22 THR 43 -4.955 17.478 7.562 386 HG23 THR 43 HG23 THR 43 -6.135 16.492 6.704 387 H THR 44 H THR 44 -4.519 16.167 2.857 388 HA THR 44 HA THR 44 -6.386 13.976 3.269 389 HB THR 44 HB THR 44 -6.422 15.994 1.555 390 HG1 THR 44 HG1 THR 44 -7.354 13.514 1.627 391 HG21 THR 44 HG21 THR 44 -5.241 15.735 -0.391 392 HG22 THR 44 HG22 THR 44 -5.344 13.988 -0.294 393 HG23 THR 44 HG23 THR 44 -4.141 14.852 0.657 394 H ASN 45 H ASN 45 -3.050 14.402 2.327 395 HA ASN 45 HA ASN 45 -1.343 12.756 2.377 396 HB2 ASN 45 HB2 ASN 45 -3.248 11.295 3.482 397 HB3 ASN 45 HB3 ASN 45 -3.311 10.521 1.902 398 HD21 ASN 45 HD21 ASN 45 -1.491 9.242 1.232 399 HD22 ASN 45 HD22 ASN 45 -0.214 8.858 2.282 400 H LEU 46 H LEU 46 -1.606 14.085 0.003 401 HA LEU 46 HA LEU 46 -0.864 11.854 -1.868 402 HB2 LEU 46 HB2 LEU 46 -2.322 13.283 -3.677 403 HB3 LEU 46 HB3 LEU 46 -3.038 11.987 -2.746 404 HG LEU 46 HG LEU 46 -3.547 13.726 -1.036 405 HD11 LEU 46 HD11 LEU 46 -2.581 15.427 -3.274 406 HD12 LEU 46 HD12 LEU 46 -2.259 15.585 -1.554 407 HD13 LEU 46 HD13 LEU 46 -3.831 16.039 -2.202 408 HD21 LEU 46 HD21 LEU 46 -4.832 13.627 -3.746 409 HD22 LEU 46 HD22 LEU 46 -5.506 14.651 -2.478 410 HD23 LEU 46 HD23 LEU 46 -5.407 12.909 -2.245 411 H SER 47 H SER 47 -1.025 13.954 -4.123 412 HA SER 47 HA SER 47 1.664 14.933 -3.655 413 HB2 SER 47 HB2 SER 47 -0.281 15.148 -6.001 414 HB3 SER 47 HB3 SER 47 1.362 15.821 -6.030 415 HG SER 47 HG SER 47 0.660 13.132 -5.437 416 H GLU 48 H GLU 48 -0.159 16.917 -5.557 417 HA GLU 48 HA GLU 48 -0.991 18.772 -3.512 418 HB2 GLU 48 HB2 GLU 48 1.482 19.171 -5.232 419 HB3 GLU 48 HB3 GLU 48 0.584 20.543 -4.607 420 HG2 GLU 48 HG2 GLU 48 0.789 19.276 -2.298 421 HG3 GLU 48 HG3 GLU 48 2.129 18.446 -3.094 422 H ARG 49 H ARG 49 0.106 18.551 -6.880 423 HA ARG 49 HA ARG 49 -1.754 20.291 -7.980 424 HB2 ARG 49 HB2 ARG 49 0.191 18.814 -9.095 425 HB3 ARG 49 HB3 ARG 49 -1.110 17.659 -9.355 426 HG2 ARG 49 HG2 ARG 49 -2.171 18.999 -10.908 427 HG3 ARG 49 HG3 ARG 49 -1.667 20.491 -10.124 428 HD2 ARG 49 HD2 ARG 49 -0.550 20.006 -12.370 429 HD3 ARG 49 HD3 ARG 49 0.553 20.325 -11.031 430 HE ARG 49 HE ARG 49 0.715 17.768 -10.838 431 HH11 ARG 49 HH11 ARG 49 -1.218 17.028 -12.899 432 HH12 ARG 49 HH12 ARG 49 -0.244 16.815 -14.314 433 HH21 ARG 49 HH21 ARG 49 2.464 18.583 -12.963 434 HH22 ARG 49 HH22 ARG 49 1.893 17.723 -14.353 435 H GLN 50 H GLN 50 -1.978 17.103 -6.661 436 HA GLN 50 HA GLN 50 -4.448 16.264 -7.752 437 HB2 GLN 50 HB2 GLN 50 -2.737 15.588 -5.440 438 HB3 GLN 50 HB3 GLN 50 -4.448 15.357 -5.093 439 HG2 GLN 50 HG2 GLN 50 -3.261 13.345 -6.134 440 HG3 GLN 50 HG3 GLN 50 -4.713 13.882 -6.978 441 HE21 GLN 50 HE21 GLN 50 -1.889 15.916 -7.211 442 HE22 GLN 50 HE22 GLN 50 -1.476 15.505 -8.806 443 H VAL 51 H VAL 51 -3.656 18.185 -4.871 444 HA VAL 51 HA VAL 51 -6.363 18.601 -4.054 445 HB VAL 51 HB VAL 51 -3.981 20.442 -3.738 446 HG11 VAL 51 HG11 VAL 51 -5.289 21.738 -2.438 447 HG12 VAL 51 HG12 VAL 51 -5.955 20.346 -1.591 448 HG13 VAL 51 HG13 VAL 51 -6.659 20.865 -3.117 449 HG21 VAL 51 HG21 VAL 51 -3.575 19.288 -1.636 450 HG22 VAL 51 HG22 VAL 51 -3.645 18.087 -2.917 451 HG23 VAL 51 HG23 VAL 51 -5.024 18.312 -1.849 452 H THR 52 H THR 52 -4.094 20.465 -5.946 453 HA THR 52 HA THR 52 -5.740 22.650 -6.598 454 HB THR 52 HB THR 52 -4.021 21.390 -8.735 455 HG1 THR 52 HG1 THR 52 -2.461 22.520 -6.941 456 HG21 THR 52 HG21 THR 52 -4.593 23.781 -8.987 457 HG22 THR 52 HG22 THR 52 -2.904 23.697 -8.500 458 HG23 THR 52 HG23 THR 52 -4.145 24.098 -7.316 459 H ILE 53 H ILE 53 -5.404 19.456 -7.943 460 HA ILE 53 HA ILE 53 -7.333 19.833 -10.067 461 HB ILE 53 HB ILE 53 -5.763 17.581 -8.815 462 HG12 ILE 53 HG12 ILE 53 -4.721 17.423 -10.845 463 HG13 ILE 53 HG13 ILE 53 -6.181 17.777 -11.748 464 HG21 ILE 53 HG21 ILE 53 -7.076 16.027 -10.450 465 HG22 ILE 53 HG22 ILE 53 -8.311 17.281 -10.429 466 HG23 ILE 53 HG23 ILE 53 -7.865 16.458 -8.938 467 HD11 ILE 53 HD11 ILE 53 -4.955 19.973 -10.122 468 HD12 ILE 53 HD12 ILE 53 -5.870 20.083 -11.614 469 HD13 ILE 53 HD13 ILE 53 -4.201 19.537 -11.639 470 H TRP 54 H TRP 54 -7.293 18.725 -6.763 471 HA TRP 54 HA TRP 54 -9.859 17.508 -6.677 472 HB2 TRP 54 HB2 TRP 54 -7.919 17.613 -4.895 473 HB3 TRP 54 HB3 TRP 54 -8.626 19.134 -4.398 474 HD1 TRP 54 HD1 TRP 54 -11.614 17.551 -5.181 475 HE1 TRP 54 HE1 TRP 54 -12.440 16.060 -3.292 476 HE3 TRP 54 HE3 TRP 54 -7.480 17.523 -2.509 477 HZ2 TRP 54 HZ2 TRP 54 -11.325 15.010 -0.713 478 HZ3 TRP 54 HZ3 TRP 54 -7.321 16.366 -0.358 479 HH2 TRP 54 HH2 TRP 54 -9.228 15.127 0.553 480 H PHE 55 H PHE 55 -8.615 20.786 -6.220 481 HA PHE 55 HA PHE 55 -11.168 21.906 -5.586 482 HB2 PHE 55 HB2 PHE 55 -8.565 22.951 -6.687 483 HB3 PHE 55 HB3 PHE 55 -9.976 24.011 -6.685 484 HD1 PHE 55 HD1 PHE 55 -11.282 24.217 -4.498 485 HD2 PHE 55 HD2 PHE 55 -7.360 22.617 -4.682 486 HE1 PHE 55 HE1 PHE 55 -11.083 24.449 -2.073 487 HE2 PHE 55 HE2 PHE 55 -7.160 22.845 -2.258 488 HZ PHE 55 HZ PHE 55 -9.003 23.793 -0.944 489 H GLN 56 H GLN 56 -9.587 21.216 -8.648 490 HA GLN 56 HA GLN 56 -11.546 22.572 -10.291 491 HB2 GLN 56 HB2 GLN 56 -9.114 21.424 -10.727 492 HB3 GLN 56 HB3 GLN 56 -10.147 20.167 -11.372 493 HG2 GLN 56 HG2 GLN 56 -11.341 22.042 -12.670 494 HG3 GLN 56 HG3 GLN 56 -9.980 23.070 -12.227 495 HE21 GLN 56 HE21 GLN 56 -11.016 21.387 -14.794 496 HE22 GLN 56 HE22 GLN 56 -9.548 20.814 -15.424 497 H ASN 57 H ASN 57 -11.320 19.408 -8.855 498 HA ASN 57 HA ASN 57 -13.468 18.295 -10.466 499 HB2 ASN 57 HB2 ASN 57 -11.811 17.426 -8.087 500 HB3 ASN 57 HB3 ASN 57 -13.361 16.623 -8.333 501 HD21 ASN 57 HD21 ASN 57 -10.155 17.156 -9.748 502 HD22 ASN 57 HD22 ASN 57 -10.270 15.926 -10.913 503 H ARG 58 H ARG 58 -12.984 20.168 -7.729 504 HA ARG 58 HA ARG 58 -15.616 19.692 -6.595 505 HB2 ARG 58 HB2 ARG 58 -13.128 21.022 -5.887 506 HB3 ARG 58 HB3 ARG 58 -14.457 22.133 -5.668 507 HG2 ARG 58 HG2 ARG 58 -14.567 19.298 -4.626 508 HG3 ARG 58 HG3 ARG 58 -13.869 20.600 -3.671 509 HD2 ARG 58 HD2 ARG 58 -16.667 20.670 -4.840 510 HD3 ARG 58 HD3 ARG 58 -16.302 20.205 -3.180 511 HE ARG 58 HE ARG 58 -15.099 22.629 -3.298 512 HH11 ARG 58 HH11 ARG 58 -17.158 22.669 -5.701 513 HH12 ARG 58 HH12 ARG 58 -18.394 23.653 -4.991 514 HH21 ARG 58 HH21 ARG 58 -17.053 23.363 -1.768 515 HH22 ARG 58 HH22 ARG 58 -18.332 24.057 -2.706 516 H ARG 59 H ARG 59 -14.102 21.591 -9.031 517 HA ARG 59 HA ARG 59 -16.245 23.659 -9.008 518 HB2 ARG 59 HB2 ARG 59 -14.005 24.413 -9.699 519 HB3 ARG 59 HB3 ARG 59 -13.854 23.083 -10.843 520 HG2 ARG 59 HG2 ARG 59 -15.160 24.120 -12.420 521 HG3 ARG 59 HG3 ARG 59 -16.234 24.821 -11.215 522 HD2 ARG 59 HD2 ARG 59 -14.669 26.582 -10.716 523 HD3 ARG 59 HD3 ARG 59 -13.394 25.793 -11.643 524 HE ARG 59 HE ARG 59 -14.824 26.257 -13.691 525 HH11 ARG 59 HH11 ARG 59 -16.981 27.249 -11.628 526 HH12 ARG 59 HH12 ARG 59 -16.938 28.948 -11.958 527 HH21 ARG 59 HH21 ARG 59 -13.955 28.724 -13.783 528 HH22 ARG 59 HH22 ARG 59 -15.183 29.805 -13.213 529 H VAL 60 H VAL 60 -15.336 20.711 -10.399 530 HA VAL 60 HA VAL 60 -17.228 20.832 -12.613 531 HB VAL 60 HB VAL 60 -14.887 19.361 -11.903 532 HG11 VAL 60 HG11 VAL 60 -15.530 17.026 -11.955 533 HG12 VAL 60 HG12 VAL 60 -17.219 17.439 -12.232 534 HG13 VAL 60 HG13 VAL 60 -16.469 17.793 -10.683 535 HG21 VAL 60 HG21 VAL 60 -16.874 18.918 -14.167 536 HG22 VAL 60 HG22 VAL 60 -15.217 18.321 -14.147 537 HG23 VAL 60 HG23 VAL 60 -15.527 20.054 -14.177 538 H LYS 61 H LYS 61 -17.123 19.972 -9.314 539 HA LYS 61 HA LYS 61 -19.440 18.176 -9.406 540 HB2 LYS 61 HB2 LYS 61 -17.531 18.017 -7.699 541 HB3 LYS 61 HB3 LYS 61 -18.111 19.524 -6.998 542 HG2 LYS 61 HG2 LYS 61 -20.170 18.548 -6.318 543 HG3 LYS 61 HG3 LYS 61 -19.953 17.155 -7.371 544 HD2 LYS 61 HD2 LYS 61 -18.309 16.197 -5.978 545 HD3 LYS 61 HD3 LYS 61 -17.959 17.725 -5.181 546 HE2 LYS 61 HE2 LYS 61 -20.753 17.048 -4.826 547 HE3 LYS 61 HE3 LYS 61 -19.741 15.710 -4.301 548 HZ1 LYS 61 HZ1 LYS 61 -18.628 18.132 -3.407 549 HZ2 LYS 61 HZ2 LYS 61 -19.205 16.822 -2.494 550 HZ3 LYS 61 HZ3 LYS 61 -20.263 18.070 -2.952 551 H GLU 62 H GLU 62 -18.734 21.548 -8.785 552 HA GLU 62 HA GLU 62 -21.190 22.247 -7.493 553 HB2 GLU 62 HB2 GLU 62 -19.125 23.737 -9.159 554 HB3 GLU 62 HB3 GLU 62 -20.612 24.552 -8.692 555 HG2 GLU 62 HG2 GLU 62 -19.992 23.625 -6.285 556 HG3 GLU 62 HG3 GLU 62 -18.366 23.575 -6.959 557 H LYS 63 H LYS 63 -20.248 21.771 -10.805 558 HA LYS 63 HA LYS 63 -22.586 22.969 -11.953 559 HB2 LYS 63 HB2 LYS 63 -20.661 20.855 -13.024 560 HB3 LYS 63 HB3 LYS 63 -21.849 21.708 -14.009 561 HG2 LYS 63 HG2 LYS 63 -20.256 23.537 -12.379 562 HG3 LYS 63 HG3 LYS 63 -19.250 22.577 -13.462 563 HD2 LYS 63 HD2 LYS 63 -20.574 23.262 -15.388 564 HD3 LYS 63 HD3 LYS 63 -21.733 24.082 -14.349 565 HE2 LYS 63 HE2 LYS 63 -18.800 24.828 -14.372 566 HE3 LYS 63 HE3 LYS 63 -19.953 25.560 -15.479 567 HZ1 LYS 63 HZ1 LYS 63 -20.042 25.632 -12.518 568 HZ2 LYS 63 HZ2 LYS 63 -21.280 26.213 -13.525 569 HZ3 LYS 63 HZ3 LYS 63 -19.743 26.933 -13.566 570 H LYS 64 H LYS 64 -21.764 19.709 -10.925 571 HA LYS 64 HA LYS 64 -24.162 18.525 -12.013 572 HB2 LYS 64 HB2 LYS 64 -22.275 17.642 -9.770 573 HB3 LYS 64 HB3 LYS 64 -23.556 16.629 -10.425 574 HG2 LYS 64 HG2 LYS 64 -21.365 17.847 -12.131 575 HG3 LYS 64 HG3 LYS 64 -21.265 16.230 -11.446 576 HD2 LYS 64 HD2 LYS 64 -23.596 15.860 -12.565 577 HD3 LYS 64 HD3 LYS 64 -23.186 17.275 -13.527 578 HE2 LYS 64 HE2 LYS 64 -21.825 14.594 -13.439 579 HE3 LYS 64 HE3 LYS 64 -22.329 15.530 -14.840 580 HZ1 LYS 64 HZ1 LYS 64 -20.430 16.942 -13.259 581 HZ2 LYS 64 HZ2 LYS 64 -20.386 16.552 -14.912 582 HZ3 LYS 64 HZ3 LYS 64 -19.821 15.437 -13.761 583 H VAL 65 H VAL 65 -23.982 20.904 -9.915 584 HA VAL 65 HA VAL 65 -26.403 19.943 -8.434 585 HB VAL 65 HB VAL 65 -23.859 20.295 -7.248 586 HG11 VAL 65 HG11 VAL 65 -24.099 22.762 -7.426 587 HG12 VAL 65 HG12 VAL 65 -24.130 22.246 -5.745 588 HG13 VAL 65 HG13 VAL 65 -25.631 22.675 -6.560 589 HG21 VAL 65 HG21 VAL 65 -25.936 19.036 -6.456 590 HG22 VAL 65 HG22 VAL 65 -26.498 20.567 -5.790 591 HG23 VAL 65 HG23 VAL 65 -25.008 19.842 -5.195 592 H ILE 66 H ILE 66 -24.438 22.755 -9.355 593 HA ILE 66 HA ILE 66 -26.675 24.565 -8.856 594 HB ILE 66 HB ILE 66 -23.964 24.910 -8.921 595 HG12 ILE 66 HG12 ILE 66 -25.764 27.161 -9.834 596 HG13 ILE 66 HG13 ILE 66 -25.877 26.493 -8.209 597 HG21 ILE 66 HG21 ILE 66 -24.922 26.060 -11.592 598 HG22 ILE 66 HG22 ILE 66 -24.078 24.520 -11.484 599 HG23 ILE 66 HG23 ILE 66 -23.271 26.003 -10.986 600 HD11 ILE 66 HD11 ILE 66 -23.452 26.926 -7.879 601 HD12 ILE 66 HD12 ILE 66 -24.334 28.410 -8.228 602 HD13 ILE 66 HD13 ILE 66 -23.374 27.640 -9.486 603 H ASN 67 H ASN 67 -25.287 22.878 -11.582 604 HA ASN 67 HA ASN 67 -27.321 24.137 -13.387 605 HB2 ASN 67 HB2 ASN 67 -25.028 24.394 -14.233 606 HB3 ASN 67 HB3 ASN 67 -24.675 22.692 -13.941 607 HD21 ASN 67 HD21 ASN 67 -27.860 23.059 -15.079 608 HD22 ASN 67 HD22 ASN 67 -27.576 22.707 -16.715 609 H LYS 68 H LYS 68 -28.972 22.789 -12.573 610 HA LYS 68 HA LYS 68 -30.452 21.024 -13.404 611 HB2 LYS 68 HB2 LYS 68 -28.563 20.049 -14.875 612 HB3 LYS 68 HB3 LYS 68 -27.991 19.194 -13.439 613 HG2 LYS 68 HG2 LYS 68 -29.849 17.809 -13.352 614 HG3 LYS 68 HG3 LYS 68 -30.891 18.976 -14.157 615 HD2 LYS 68 HD2 LYS 68 -30.462 17.176 -15.719 616 HD3 LYS 68 HD3 LYS 68 -29.566 18.585 -16.271 617 HE2 LYS 68 HE2 LYS 68 -27.528 17.714 -15.151 618 HE3 LYS 68 HE3 LYS 68 -28.429 16.295 -14.634 619 HZ1 LYS 68 HZ1 LYS 68 -28.624 15.530 -16.798 620 HZ2 LYS 68 HZ2 LYS 68 -27.036 16.132 -16.740 621 HZ3 LYS 68 HZ3 LYS 68 -28.263 17.042 -17.483 622 H LEU 69 H LEU 69 -31.145 21.411 -11.272 623 HA LEU 69 HA LEU 69 -29.943 19.729 -9.153 624 HB2 LEU 69 HB2 LEU 69 -31.285 21.057 -7.616 625 HB3 LEU 69 HB3 LEU 69 -30.647 22.186 -8.802 626 HG LEU 69 HG LEU 69 -33.415 20.928 -8.907 627 HD11 LEU 69 HD11 LEU 69 -32.654 23.814 -8.380 628 HD12 LEU 69 HD12 LEU 69 -32.978 22.662 -7.088 629 HD13 LEU 69 HD13 LEU 69 -34.248 23.082 -8.232 630 HD21 LEU 69 HD21 LEU 69 -31.882 22.815 -10.696 631 HD22 LEU 69 HD22 LEU 69 -33.642 22.866 -10.644 632 HD23 LEU 69 HD23 LEU 69 -32.820 21.393 -11.146 633 H LYS 70 H LYS 70 -31.189 18.280 -7.904 634 HA LYS 70 HA LYS 70 -33.870 17.542 -8.862 635 HB2 LYS 70 HB2 LYS 70 -32.412 16.288 -10.418 636 HB3 LYS 70 HB3 LYS 70 -31.448 15.677 -9.078 637 HG2 LYS 70 HG2 LYS 70 -33.021 13.944 -9.762 638 HG3 LYS 70 HG3 LYS 70 -33.506 14.545 -8.184 639 HD2 LYS 70 HD2 LYS 70 -35.421 15.504 -8.993 640 HD3 LYS 70 HD3 LYS 70 -34.653 16.004 -10.497 641 HE2 LYS 70 HE2 LYS 70 -36.238 14.294 -11.086 642 HE3 LYS 70 HE3 LYS 70 -34.651 13.544 -11.174 643 HZ1 LYS 70 HZ1 LYS 70 -35.962 13.405 -8.593 644 HZ2 LYS 70 HZ2 LYS 70 -35.074 12.224 -9.430 645 HZ3 LYS 70 HZ3 LYS 70 -36.698 12.513 -9.837 646 H THR 71 H THR 71 -31.127 16.285 -6.959 647 HA THR 71 HA THR 71 -33.048 15.822 -4.702 648 HB THR 71 HB THR 71 -30.460 14.257 -5.255 649 HG1 THR 71 HG1 THR 71 -33.167 13.967 -6.040 650 HG21 THR 71 HG21 THR 71 -31.483 14.072 -2.925 651 HG22 THR 71 HG22 THR 71 -31.633 12.563 -3.817 652 HG23 THR 71 HG23 THR 71 -33.019 13.637 -3.664 653 H THR 72 H THR 72 -30.458 17.629 -5.738 654 HA THR 72 HA THR 72 -28.806 18.871 -4.613 655 HB THR 72 HB THR 72 -30.538 18.992 -2.143 656 HG1 THR 72 HG1 THR 72 -31.930 18.587 -3.983 657 HG21 THR 72 HG21 THR 72 -28.663 20.672 -3.310 658 HG22 THR 72 HG22 THR 72 -29.957 21.270 -2.277 659 HG23 THR 72 HG23 THR 72 -30.143 21.301 -4.028 660 H SER 73 H SER 73 -28.823 15.942 -4.220 661 HA SER 73 HA SER 73 -26.885 15.895 -2.037 662 HB2 SER 73 HB2 SER 73 -29.684 14.775 -1.742 663 HB3 SER 73 HB3 SER 73 -28.342 13.884 -0.997 664 HG SER 73 HG SER 73 -29.476 16.093 -0.122 Start of MODEL 14 1 HA MET 1 HA MET 1 -31.368 -11.909 -14.286 2 H SER 2 H SER 2 -30.963 -14.049 -12.306 3 HA SER 2 HA SER 2 -30.380 -12.998 -9.730 4 HB2 SER 2 HB2 SER 2 -29.374 -15.361 -11.359 5 HB3 SER 2 HB3 SER 2 -28.599 -14.979 -9.809 6 HG SER 2 HG SER 2 -30.310 -15.726 -8.861 7 H HIS 3 H HIS 3 -29.268 -11.127 -9.634 8 HA HIS 3 HA HIS 3 -26.415 -11.244 -10.358 9 HB2 HIS 3 HB2 HIS 3 -28.468 -9.650 -11.815 10 HB3 HIS 3 HB3 HIS 3 -27.068 -8.712 -11.302 11 HD1 HIS 3 HD1 HIS 3 -27.776 -11.795 -13.222 12 HD2 HIS 3 HD2 HIS 3 -24.816 -9.050 -12.840 13 HE1 HIS 3 HE1 HIS 3 -26.187 -12.357 -14.962 14 H MET 4 H MET 4 -25.156 -9.834 -9.158 15 HA MET 4 HA MET 4 -26.357 -7.737 -7.525 16 HB2 MET 4 HB2 MET 4 -26.991 -9.611 -6.107 17 HB3 MET 4 HB3 MET 4 -25.415 -10.370 -6.296 18 HG2 MET 4 HG2 MET 4 -24.436 -9.038 -4.745 19 HG3 MET 4 HG3 MET 4 -25.299 -7.619 -5.274 20 HE1 MET 4 HE1 MET 4 -27.369 -6.807 -4.613 21 HE2 MET 4 HE2 MET 4 -28.374 -7.330 -3.261 22 HE3 MET 4 HE3 MET 4 -28.393 -8.234 -4.776 23 H LEU 5 H LEU 5 -23.596 -9.860 -8.087 24 HA LEU 5 HA LEU 5 -21.331 -9.314 -8.330 25 HB2 LEU 5 HB2 LEU 5 -22.705 -7.003 -9.096 26 HB3 LEU 5 HB3 LEU 5 -21.649 -6.413 -7.818 27 HG LEU 5 HG LEU 5 -20.638 -8.162 -10.071 28 HD11 LEU 5 HD11 LEU 5 -20.897 -5.148 -9.883 29 HD12 LEU 5 HD12 LEU 5 -21.472 -6.202 -11.172 30 HD13 LEU 5 HD13 LEU 5 -19.745 -5.928 -10.962 31 HD21 LEU 5 HD21 LEU 5 -19.148 -8.112 -8.187 32 HD22 LEU 5 HD22 LEU 5 -19.379 -6.380 -7.966 33 HD23 LEU 5 HD23 LEU 5 -18.483 -6.979 -9.358 34 H GLU 6 H GLU 6 -22.709 -9.748 -5.752 35 HA GLU 6 HA GLU 6 -22.007 -9.854 -3.518 36 HB2 GLU 6 HB2 GLU 6 -19.657 -9.538 -4.998 37 HB3 GLU 6 HB3 GLU 6 -19.582 -8.189 -3.870 38 HG2 GLU 6 HG2 GLU 6 -20.191 -9.919 -2.046 39 HG3 GLU 6 HG3 GLU 6 -19.775 -11.142 -3.246 40 H GLY 7 H GLY 7 -21.166 -8.244 -1.728 41 HA2 GLY 7 HA2 GLY 7 -23.056 -6.249 -1.350 42 HA3 GLY 7 HA3 GLY 7 -21.454 -6.183 -0.621 43 H ARG 8 H ARG 8 -22.906 -3.906 -1.458 44 HA ARG 8 HA ARG 8 -22.040 -3.020 -4.064 45 HB2 ARG 8 HB2 ARG 8 -22.604 -1.082 -1.810 46 HB3 ARG 8 HB3 ARG 8 -23.105 -0.991 -3.494 47 HG2 ARG 8 HG2 ARG 8 -24.215 -2.870 -1.383 48 HG3 ARG 8 HG3 ARG 8 -25.054 -1.514 -2.120 49 HD2 ARG 8 HD2 ARG 8 -24.009 -3.914 -3.664 50 HD3 ARG 8 HD3 ARG 8 -25.683 -3.715 -3.147 51 HE ARG 8 HE ARG 8 -24.605 -1.487 -4.737 52 HH11 ARG 8 HH11 ARG 8 -27.413 -2.880 -4.244 53 HH12 ARG 8 HH12 ARG 8 -27.778 -3.344 -5.872 54 HH21 ARG 8 HH21 ARG 8 -24.508 -2.752 -6.987 55 HH22 ARG 8 HH22 ARG 8 -26.090 -3.273 -7.466 56 H LYS 9 H LYS 9 -19.942 -2.860 -4.513 57 HA LYS 9 HA LYS 9 -17.978 -2.174 -2.465 58 HB2 LYS 9 HB2 LYS 9 -17.637 -2.296 -5.501 59 HB3 LYS 9 HB3 LYS 9 -16.359 -2.424 -4.297 60 HG2 LYS 9 HG2 LYS 9 -17.853 -4.436 -3.407 61 HG3 LYS 9 HG3 LYS 9 -18.451 -4.437 -5.062 62 HD2 LYS 9 HD2 LYS 9 -15.499 -4.484 -4.368 63 HD3 LYS 9 HD3 LYS 9 -16.441 -5.942 -4.652 64 HE2 LYS 9 HE2 LYS 9 -16.418 -3.691 -6.665 65 HE3 LYS 9 HE3 LYS 9 -15.158 -4.913 -6.667 66 HZ1 LYS 9 HZ1 LYS 9 -17.710 -5.080 -7.760 67 HZ2 LYS 9 HZ2 LYS 9 -17.650 -6.183 -6.471 68 HZ3 LYS 9 HZ3 LYS 9 -16.506 -6.277 -7.725 69 H LYS 10 H LYS 10 -19.581 -0.114 -2.303 70 HA LYS 10 HA LYS 10 -19.090 2.023 -4.166 71 HB2 LYS 10 HB2 LYS 10 -21.030 2.135 -2.683 72 HB3 LYS 10 HB3 LYS 10 -20.014 1.987 -1.253 73 HG2 LYS 10 HG2 LYS 10 -19.153 4.168 -1.486 74 HG3 LYS 10 HG3 LYS 10 -19.583 4.256 -3.189 75 HD2 LYS 10 HD2 LYS 10 -21.121 5.627 -1.825 76 HD3 LYS 10 HD3 LYS 10 -21.983 4.293 -2.582 77 HE2 LYS 10 HE2 LYS 10 -22.598 4.532 -0.188 78 HE3 LYS 10 HE3 LYS 10 -21.821 2.985 -0.502 79 HZ1 LYS 10 HZ1 LYS 10 -21.082 4.816 1.377 80 HZ2 LYS 10 HZ2 LYS 10 -19.931 5.020 0.146 81 HZ3 LYS 10 HZ3 LYS 10 -20.159 3.491 0.849 82 H ARG 11 H ARG 11 -17.356 3.253 -4.394 83 HA ARG 11 HA ARG 11 -15.086 2.925 -2.584 84 HB2 ARG 11 HB2 ARG 11 -15.623 4.577 -5.086 85 HB3 ARG 11 HB3 ARG 11 -14.125 4.756 -4.179 86 HG2 ARG 11 HG2 ARG 11 -14.929 1.962 -4.780 87 HG3 ARG 11 HG3 ARG 11 -14.454 2.930 -6.172 88 HD2 ARG 11 HD2 ARG 11 -12.499 1.772 -5.158 89 HD3 ARG 11 HD3 ARG 11 -12.335 3.523 -5.048 90 HE ARG 11 HE ARG 11 -13.342 1.907 -2.739 91 HH11 ARG 11 HH11 ARG 11 -13.235 4.928 -2.737 92 HH12 ARG 11 HH12 ARG 11 -11.750 5.229 -1.897 93 HH21 ARG 11 HH21 ARG 11 -10.618 1.937 -2.300 94 HH22 ARG 11 HH22 ARG 11 -10.229 3.493 -1.644 95 H VAL 12 H VAL 12 -13.982 4.742 -1.591 96 HA VAL 12 HA VAL 12 -15.572 7.163 -1.136 97 HB VAL 12 HB VAL 12 -16.482 5.558 0.532 98 HG11 VAL 12 HG11 VAL 12 -15.099 4.373 2.067 99 HG12 VAL 12 HG12 VAL 12 -13.692 5.358 1.681 100 HG13 VAL 12 HG13 VAL 12 -14.299 4.194 0.509 101 HG21 VAL 12 HG21 VAL 12 -14.680 7.745 1.590 102 HG22 VAL 12 HG22 VAL 12 -15.683 6.781 2.666 103 HG23 VAL 12 HG23 VAL 12 -16.434 7.763 1.414 104 HA PRO 13 HA PRO 13 -11.522 8.924 -1.105 105 HB2 PRO 13 HB2 PRO 13 -12.394 10.936 0.861 106 HB3 PRO 13 HB3 PRO 13 -11.979 11.172 -0.840 107 HG2 PRO 13 HG2 PRO 13 -14.613 11.171 0.315 108 HG3 PRO 13 HG3 PRO 13 -14.210 11.273 -1.399 109 HD2 PRO 13 HD2 PRO 13 -15.392 9.048 -0.005 110 HD3 PRO 13 HD3 PRO 13 -14.961 9.144 -1.718 111 H TYR 14 H TYR 14 -9.821 9.619 0.504 112 HA TYR 14 HA TYR 14 -9.156 7.644 2.311 113 HB2 TYR 14 HB2 TYR 14 -8.587 10.635 2.373 114 HB3 TYR 14 HB3 TYR 14 -7.868 9.541 3.549 115 HD1 TYR 14 HD1 TYR 14 -8.266 10.016 -0.146 116 HD2 TYR 14 HD2 TYR 14 -5.917 8.343 2.984 117 HE1 TYR 14 HE1 TYR 14 -6.530 9.412 -1.771 118 HE2 TYR 14 HE2 TYR 14 -4.192 7.724 1.356 119 HH TYR 14 HH TYR 14 -4.511 7.352 -1.630 120 H THR 15 H THR 15 -10.254 10.788 3.567 121 HA THR 15 HA THR 15 -11.973 9.309 5.512 122 HB THR 15 HB THR 15 -9.878 9.861 6.741 123 HG1 THR 15 HG1 THR 15 -11.254 11.980 7.655 124 HG21 THR 15 HG21 THR 15 -9.136 12.237 6.892 125 HG22 THR 15 HG22 THR 15 -10.473 12.750 5.869 126 HG23 THR 15 HG23 THR 15 -9.166 11.786 5.190 127 H LYS 16 H LYS 16 -12.909 11.401 6.939 128 HA LYS 16 HA LYS 16 -14.575 12.743 4.922 129 HB2 LYS 16 HB2 LYS 16 -14.739 12.794 7.978 130 HB3 LYS 16 HB3 LYS 16 -15.989 13.337 6.863 131 HG2 LYS 16 HG2 LYS 16 -16.039 10.984 5.913 132 HG3 LYS 16 HG3 LYS 16 -14.969 10.500 7.224 133 HD2 LYS 16 HD2 LYS 16 -16.725 10.341 8.634 134 HD3 LYS 16 HD3 LYS 16 -17.148 12.021 8.329 135 HE2 LYS 16 HE2 LYS 16 -17.895 9.770 6.441 136 HE3 LYS 16 HE3 LYS 16 -18.953 10.319 7.735 137 HZ1 LYS 16 HZ1 LYS 16 -19.189 11.319 5.391 138 HZ2 LYS 16 HZ2 LYS 16 -17.847 12.263 5.827 139 HZ3 LYS 16 HZ3 LYS 16 -19.277 12.345 6.741 140 H VAL 17 H VAL 17 -12.190 13.464 7.394 141 HA VAL 17 HA VAL 17 -12.533 16.306 7.428 142 HB VAL 17 HB VAL 17 -9.872 14.846 7.747 143 HG11 VAL 17 HG11 VAL 17 -9.544 17.163 8.002 144 HG12 VAL 17 HG12 VAL 17 -9.806 16.635 9.662 145 HG13 VAL 17 HG13 VAL 17 -11.114 17.398 8.763 146 HG21 VAL 17 HG21 VAL 17 -12.085 15.106 9.815 147 HG22 VAL 17 HG22 VAL 17 -10.503 14.382 10.080 148 HG23 VAL 17 HG23 VAL 17 -11.651 13.611 8.991 149 H GLN 18 H GLN 18 -11.573 14.173 5.122 150 HA GLN 18 HA GLN 18 -9.645 15.825 3.669 151 HB2 GLN 18 HB2 GLN 18 -9.730 13.304 3.615 152 HB3 GLN 18 HB3 GLN 18 -11.328 13.376 2.891 153 HG2 GLN 18 HG2 GLN 18 -10.464 14.419 0.907 154 HG3 GLN 18 HG3 GLN 18 -8.879 14.620 1.647 155 HE21 GLN 18 HE21 GLN 18 -7.435 13.033 0.956 156 HE22 GLN 18 HE22 GLN 18 -7.840 11.438 0.569 157 H LEU 19 H LEU 19 -12.915 14.601 2.845 158 HA LEU 19 HA LEU 19 -13.196 16.565 0.721 159 HB2 LEU 19 HB2 LEU 19 -14.776 14.359 1.902 160 HB3 LEU 19 HB3 LEU 19 -15.786 15.718 1.425 161 HG LEU 19 HG LEU 19 -15.318 13.922 -0.379 162 HD11 LEU 19 HD11 LEU 19 -14.982 15.701 -2.141 163 HD12 LEU 19 HD12 LEU 19 -14.702 16.856 -0.842 164 HD13 LEU 19 HD13 LEU 19 -16.268 16.065 -0.993 165 HD21 LEU 19 HD21 LEU 19 -12.696 14.348 0.375 166 HD22 LEU 19 HD22 LEU 19 -12.823 15.319 -1.089 167 HD23 LEU 19 HD23 LEU 19 -13.196 13.598 -1.137 168 H LYS 20 H LYS 20 -13.502 16.714 4.080 169 HA LYS 20 HA LYS 20 -15.530 18.838 4.075 170 HB2 LYS 20 HB2 LYS 20 -13.923 17.357 6.144 171 HB3 LYS 20 HB3 LYS 20 -14.502 18.951 6.580 172 HG2 LYS 20 HG2 LYS 20 -16.773 18.330 6.289 173 HG3 LYS 20 HG3 LYS 20 -16.351 16.895 5.361 174 HD2 LYS 20 HD2 LYS 20 -17.022 16.291 7.668 175 HD3 LYS 20 HD3 LYS 20 -15.333 15.886 7.380 176 HE2 LYS 20 HE2 LYS 20 -15.707 17.047 9.574 177 HE3 LYS 20 HE3 LYS 20 -14.601 17.914 8.516 178 HZ1 LYS 20 HZ1 LYS 20 -17.253 18.723 8.001 179 HZ2 LYS 20 HZ2 LYS 20 -15.936 19.652 8.536 180 HZ3 LYS 20 HZ3 LYS 20 -16.932 18.861 9.662 181 H GLU 21 H GLU 21 -12.024 18.514 4.606 182 HA GLU 21 HA GLU 21 -11.670 21.323 5.129 183 HB2 GLU 21 HB2 GLU 21 -10.020 19.320 5.530 184 HB3 GLU 21 HB3 GLU 21 -9.574 19.534 3.842 185 HG2 GLU 21 HG2 GLU 21 -8.795 21.756 4.223 186 HG3 GLU 21 HG3 GLU 21 -9.596 21.851 5.789 187 H LEU 22 H LEU 22 -12.007 19.407 2.271 188 HA LEU 22 HA LEU 22 -10.886 21.329 0.441 189 HB2 LEU 22 HB2 LEU 22 -12.015 18.710 0.320 190 HB3 LEU 22 HB3 LEU 22 -13.027 19.697 -0.722 191 HG LEU 22 HG LEU 22 -11.314 18.933 -2.156 192 HD11 LEU 22 HD11 LEU 22 -9.809 21.376 -1.459 193 HD12 LEU 22 HD12 LEU 22 -11.534 21.628 -1.669 194 HD13 LEU 22 HD13 LEU 22 -10.582 20.942 -2.976 195 HD21 LEU 22 HD21 LEU 22 -8.861 19.177 -1.418 196 HD22 LEU 22 HD22 LEU 22 -9.804 17.915 -0.625 197 HD23 LEU 22 HD23 LEU 22 -9.500 19.440 0.201 198 H GLU 23 H GLU 23 -14.243 20.511 1.298 199 HA GLU 23 HA GLU 23 -15.356 22.672 -0.289 200 HB2 GLU 23 HB2 GLU 23 -16.597 20.565 0.429 201 HB3 GLU 23 HB3 GLU 23 -16.603 21.180 2.077 202 HG2 GLU 23 HG2 GLU 23 -17.926 23.108 1.418 203 HG3 GLU 23 HG3 GLU 23 -17.770 22.691 -0.285 204 H ARG 24 H ARG 24 -13.798 22.555 2.693 205 HA ARG 24 HA ARG 24 -15.219 24.860 3.831 206 HB2 ARG 24 HB2 ARG 24 -13.081 22.943 4.660 207 HB3 ARG 24 HB3 ARG 24 -12.939 24.557 5.341 208 HG2 ARG 24 HG2 ARG 24 -14.353 22.840 6.660 209 HG3 ARG 24 HG3 ARG 24 -15.064 24.424 6.391 210 HD2 ARG 24 HD2 ARG 24 -15.626 22.534 4.213 211 HD3 ARG 24 HD3 ARG 24 -16.273 22.016 5.760 212 HE ARG 24 HE ARG 24 -16.850 24.803 5.255 213 HH11 ARG 24 HH11 ARG 24 -17.494 21.764 3.876 214 HH12 ARG 24 HH12 ARG 24 -19.208 21.992 3.764 215 HH21 ARG 24 HH21 ARG 24 -19.105 25.071 5.439 216 HH22 ARG 24 HH22 ARG 24 -20.143 23.918 4.668 217 H GLU 25 H GLU 25 -11.916 24.179 2.731 218 HA GLU 25 HA GLU 25 -11.111 26.941 2.876 219 HB2 GLU 25 HB2 GLU 25 -9.895 24.775 1.107 220 HB3 GLU 25 HB3 GLU 25 -9.076 26.170 1.797 221 HG2 GLU 25 HG2 GLU 25 -10.385 24.376 3.776 222 HG3 GLU 25 HG3 GLU 25 -9.015 23.677 2.921 223 H TYR 26 H TYR 26 -12.942 25.138 0.636 224 HA TYR 26 HA TYR 26 -12.316 26.996 -1.591 225 HB2 TYR 26 HB2 TYR 26 -12.793 24.426 -1.808 226 HB3 TYR 26 HB3 TYR 26 -14.485 24.849 -1.567 227 HD1 TYR 26 HD1 TYR 26 -15.395 26.768 -3.110 228 HD2 TYR 26 HD2 TYR 26 -11.891 24.525 -3.981 229 HE1 TYR 26 HE1 TYR 26 -15.581 27.405 -5.468 230 HE2 TYR 26 HE2 TYR 26 -12.071 25.167 -6.340 231 HH TYR 26 HH TYR 26 -14.671 26.205 -7.777 232 H ALA 27 H ALA 27 -14.901 26.196 0.648 233 HA ALA 27 HA ALA 27 -16.741 28.129 -0.537 234 HB1 ALA 27 HB1 ALA 27 -16.785 26.582 2.107 235 HB2 ALA 27 HB2 ALA 27 -17.614 26.119 0.624 236 HB3 ALA 27 HB3 ALA 27 -18.127 27.553 1.509 237 H THR 28 H THR 28 -14.067 28.327 1.490 238 HA THR 28 HA THR 28 -15.029 30.515 3.158 239 HB THR 28 HB THR 28 -12.200 29.424 2.596 240 HG1 THR 28 HG1 THR 28 -12.817 28.870 4.936 241 HG21 THR 28 HG21 THR 28 -13.281 31.334 4.752 242 HG22 THR 28 HG22 THR 28 -12.119 31.780 3.507 243 HG23 THR 28 HG23 THR 28 -11.667 30.631 4.763 244 H ASN 29 H ASN 29 -13.096 30.171 0.225 245 HA ASN 29 HA ASN 29 -13.624 33.036 -0.337 246 HB2 ASN 29 HB2 ASN 29 -11.409 33.077 0.739 247 HB3 ASN 29 HB3 ASN 29 -10.850 31.742 -0.267 248 HD21 ASN 29 HD21 ASN 29 -11.848 35.170 -0.380 249 HD22 ASN 29 HD22 ASN 29 -11.058 35.523 -1.841 250 H LYS 30 H LYS 30 -11.250 30.948 -1.849 251 HA LYS 30 HA LYS 30 -13.005 30.090 -3.995 252 HB2 LYS 30 HB2 LYS 30 -12.793 32.365 -4.812 253 HB3 LYS 30 HB3 LYS 30 -11.081 32.431 -4.404 254 HG2 LYS 30 HG2 LYS 30 -10.476 31.448 -6.366 255 HG3 LYS 30 HG3 LYS 30 -11.721 30.214 -6.222 256 HD2 LYS 30 HD2 LYS 30 -13.412 31.973 -6.916 257 HD3 LYS 30 HD3 LYS 30 -12.055 33.036 -7.275 258 HE2 LYS 30 HE2 LYS 30 -12.315 32.054 -9.356 259 HE3 LYS 30 HE3 LYS 30 -11.208 30.894 -8.633 260 HZ1 LYS 30 HZ1 LYS 30 -13.492 29.874 -7.821 261 HZ2 LYS 30 HZ2 LYS 30 -12.799 29.476 -9.320 262 HZ3 LYS 30 HZ3 LYS 30 -14.043 30.629 -9.240 263 H PHE 31 H PHE 31 -9.641 30.965 -3.292 264 HA PHE 31 HA PHE 31 -8.902 28.164 -3.644 265 HB2 PHE 31 HB2 PHE 31 -8.708 29.794 -5.885 266 HB3 PHE 31 HB3 PHE 31 -7.097 29.962 -5.181 267 HD1 PHE 31 HD1 PHE 31 -6.011 27.712 -4.344 268 HD2 PHE 31 HD2 PHE 31 -9.157 27.882 -7.194 269 HE1 PHE 31 HE1 PHE 31 -5.566 25.399 -4.952 270 HE2 PHE 31 HE2 PHE 31 -8.667 25.570 -7.843 271 HZ PHE 31 HZ PHE 31 -6.904 24.320 -6.669 272 H ILE 32 H ILE 32 -6.821 27.707 -2.885 273 HA ILE 32 HA ILE 32 -5.888 29.757 -0.944 274 HB ILE 32 HB ILE 32 -4.756 27.218 -0.344 275 HG12 ILE 32 HG12 ILE 32 -6.922 25.891 -0.139 276 HG13 ILE 32 HG13 ILE 32 -7.646 27.030 -1.259 277 HG21 ILE 32 HG21 ILE 32 -6.266 27.408 1.616 278 HG22 ILE 32 HG22 ILE 32 -7.296 28.535 0.742 279 HG23 ILE 32 HG23 ILE 32 -5.671 29.008 1.205 280 HD11 ILE 32 HD11 ILE 32 -5.750 24.848 -1.772 281 HD12 ILE 32 HD12 ILE 32 -5.244 26.374 -2.495 282 HD13 ILE 32 HD13 ILE 32 -6.813 25.684 -2.896 283 H THR 33 H THR 33 -3.574 29.789 -0.510 284 HA THR 33 HA THR 33 -2.071 30.059 -2.951 285 HB THR 33 HB THR 33 -0.142 30.415 -1.126 286 HG1 THR 33 HG1 THR 33 -1.130 30.759 0.901 287 HG21 THR 33 HG21 THR 33 -1.460 32.319 -2.245 288 HG22 THR 33 HG22 THR 33 -1.075 32.658 -0.561 289 HG23 THR 33 HG23 THR 33 -2.693 32.125 -1.002 290 H LYS 34 H LYS 34 -0.018 29.071 -3.363 291 HA LYS 34 HA LYS 34 -0.076 26.319 -3.590 292 HB2 LYS 34 HB2 LYS 34 2.420 28.005 -3.099 293 HB3 LYS 34 HB3 LYS 34 2.364 26.457 -3.936 294 HG2 LYS 34 HG2 LYS 34 1.013 29.030 -4.839 295 HG3 LYS 34 HG3 LYS 34 2.424 28.288 -5.576 296 HD2 LYS 34 HD2 LYS 34 0.829 27.364 -6.962 297 HD3 LYS 34 HD3 LYS 34 0.776 26.161 -5.683 298 HE2 LYS 34 HE2 LYS 34 -1.399 26.656 -5.292 299 HE3 LYS 34 HE3 LYS 34 -0.984 28.324 -4.953 300 HZ1 LYS 34 HZ1 LYS 34 -2.115 28.811 -6.773 301 HZ2 LYS 34 HZ2 LYS 34 -2.171 27.193 -7.282 302 HZ3 LYS 34 HZ3 LYS 34 -0.823 28.154 -7.659 303 H ASP 35 H ASP 35 1.203 28.222 -0.915 304 HA ASP 35 HA ASP 35 2.159 25.902 0.534 305 HB2 ASP 35 HB2 ASP 35 1.950 28.836 0.941 306 HB3 ASP 35 HB3 ASP 35 1.730 27.912 2.424 307 H LYS 36 H LYS 36 -0.785 27.794 0.459 308 HA LYS 36 HA LYS 36 -1.933 26.560 2.788 309 HB2 LYS 36 HB2 LYS 36 -3.010 28.186 0.477 310 HB3 LYS 36 HB3 LYS 36 -4.090 27.509 1.692 311 HG2 LYS 36 HG2 LYS 36 -2.965 28.696 3.468 312 HG3 LYS 36 HG3 LYS 36 -1.669 29.191 2.389 313 HD2 LYS 36 HD2 LYS 36 -2.889 31.109 2.191 314 HD3 LYS 36 HD3 LYS 36 -3.843 30.169 1.058 315 HE2 LYS 36 HE2 LYS 36 -5.526 30.882 2.488 316 HE3 LYS 36 HE3 LYS 36 -5.079 29.376 3.280 317 HZ1 LYS 36 HZ1 LYS 36 -3.350 31.044 4.397 318 HZ2 LYS 36 HZ2 LYS 36 -4.883 30.709 5.047 319 HZ3 LYS 36 HZ3 LYS 36 -4.642 32.111 4.120 320 H ARG 37 H ARG 37 -2.285 25.907 -0.724 321 HA ARG 37 HA ARG 37 -4.264 23.864 -0.358 322 HB2 ARG 37 HB2 ARG 37 -3.489 23.064 -2.627 323 HB3 ARG 37 HB3 ARG 37 -3.750 24.801 -2.614 324 HG2 ARG 37 HG2 ARG 37 -1.416 25.234 -2.376 325 HG3 ARG 37 HG3 ARG 37 -1.063 23.539 -2.119 326 HD2 ARG 37 HD2 ARG 37 -1.861 23.014 -4.400 327 HD3 ARG 37 HD3 ARG 37 -2.200 24.722 -4.668 328 HE ARG 37 HE ARG 37 0.451 24.758 -3.969 329 HH11 ARG 37 HH11 ARG 37 -1.495 23.884 -6.555 330 HH12 ARG 37 HH12 ARG 37 -0.229 23.200 -7.518 331 HH21 ARG 37 HH21 ARG 37 2.143 23.472 -4.951 332 HH22 ARG 37 HH22 ARG 37 1.888 22.962 -6.587 333 H ARG 38 H ARG 38 -0.789 23.990 -0.135 334 HA ARG 38 HA ARG 38 -0.333 21.186 -0.117 335 HB2 ARG 38 HB2 ARG 38 1.527 22.835 -0.309 336 HB3 ARG 38 HB3 ARG 38 1.194 23.413 1.312 337 HG2 ARG 38 HG2 ARG 38 1.970 21.443 2.329 338 HG3 ARG 38 HG3 ARG 38 1.755 20.494 0.863 339 HD2 ARG 38 HD2 ARG 38 3.854 20.983 0.157 340 HD3 ARG 38 HD3 ARG 38 3.599 22.707 0.416 341 HE ARG 38 HE ARG 38 4.878 22.460 2.367 342 HH11 ARG 38 HH11 ARG 38 5.277 19.550 1.266 343 HH12 ARG 38 HH12 ARG 38 4.998 18.647 2.719 344 HH21 ARG 38 HH21 ARG 38 3.605 21.394 4.395 345 HH22 ARG 38 HH22 ARG 38 4.031 19.721 4.539 346 H ARG 39 H ARG 39 -1.410 23.440 2.375 347 HA ARG 39 HA ARG 39 -0.939 21.704 4.606 348 HB2 ARG 39 HB2 ARG 39 -3.368 23.540 4.291 349 HB3 ARG 39 HB3 ARG 39 -2.590 23.058 5.792 350 HG2 ARG 39 HG2 ARG 39 -1.295 24.720 3.649 351 HG3 ARG 39 HG3 ARG 39 -1.994 25.376 5.108 352 HD2 ARG 39 HD2 ARG 39 0.339 23.436 4.922 353 HD3 ARG 39 HD3 ARG 39 0.415 25.122 5.425 354 HE ARG 39 HE ARG 39 -1.384 23.456 7.039 355 HH11 ARG 39 HH11 ARG 39 1.404 22.346 7.183 356 HH12 ARG 39 HH12 ARG 39 2.076 23.220 8.517 357 HH21 ARG 39 HH21 ARG 39 -0.440 25.660 8.446 358 HH22 ARG 39 HH22 ARG 39 1.003 25.144 9.256 359 H ILE 40 H ILE 40 -3.584 22.114 2.337 360 HA ILE 40 HA ILE 40 -5.275 20.124 3.517 361 HB ILE 40 HB ILE 40 -5.128 20.418 0.521 362 HG12 ILE 40 HG12 ILE 40 -6.391 22.564 2.253 363 HG13 ILE 40 HG13 ILE 40 -4.791 22.741 1.550 364 HG21 ILE 40 HG21 ILE 40 -7.529 20.223 0.748 365 HG22 ILE 40 HG22 ILE 40 -7.456 20.583 2.468 366 HG23 ILE 40 HG23 ILE 40 -6.829 19.053 1.861 367 HD11 ILE 40 HD11 ILE 40 -7.375 22.286 0.017 368 HD12 ILE 40 HD12 ILE 40 -5.778 22.312 -0.723 369 HD13 ILE 40 HD13 ILE 40 -6.421 23.764 0.037 370 H SER 41 H SER 41 -3.530 19.781 0.437 371 HA SER 41 HA SER 41 -3.536 17.056 0.297 372 HB2 SER 41 HB2 SER 41 -1.874 17.346 -1.350 373 HB3 SER 41 HB3 SER 41 -2.212 19.061 -1.095 374 HG SER 41 HG SER 41 0.024 17.768 -0.583 375 H ALA 42 H ALA 42 -1.431 19.023 2.333 376 HA ALA 42 HA ALA 42 0.209 16.779 3.172 377 HB1 ALA 42 HB1 ALA 42 1.040 19.111 3.334 378 HB2 ALA 42 HB2 ALA 42 0.984 18.404 4.946 379 HB3 ALA 42 HB3 ALA 42 -0.272 19.527 4.434 380 H THR 43 H THR 43 -2.924 17.865 4.018 381 HA THR 43 HA THR 43 -2.766 16.546 6.689 382 HB THR 43 HB THR 43 -5.388 17.374 6.537 383 HG1 THR 43 HG1 THR 43 -3.951 18.463 4.475 384 HG21 THR 43 HG21 THR 43 -3.718 18.304 8.199 385 HG22 THR 43 HG22 THR 43 -4.640 19.610 7.458 386 HG23 THR 43 HG23 THR 43 -2.999 19.272 6.915 387 H THR 44 H THR 44 -4.228 16.354 3.528 388 HA THR 44 HA THR 44 -5.797 14.010 4.236 389 HB THR 44 HB THR 44 -6.214 15.833 2.364 390 HG1 THR 44 HG1 THR 44 -6.442 13.031 2.264 391 HG21 THR 44 HG21 THR 44 -5.091 13.824 0.550 392 HG22 THR 44 HG22 THR 44 -3.863 14.803 1.346 393 HG23 THR 44 HG23 THR 44 -5.116 15.564 0.368 394 H ASN 45 H ASN 45 -2.592 14.657 3.106 395 HA ASN 45 HA ASN 45 -0.756 13.174 3.132 396 HB2 ASN 45 HB2 ASN 45 -2.509 11.656 4.446 397 HB3 ASN 45 HB3 ASN 45 -2.506 10.729 2.949 398 HD21 ASN 45 HD21 ASN 45 -1.180 8.958 3.434 399 HD22 ASN 45 HD22 ASN 45 0.393 9.078 4.059 400 H LEU 46 H LEU 46 -1.306 14.286 0.647 401 HA LEU 46 HA LEU 46 -0.465 11.945 -1.083 402 HB2 LEU 46 HB2 LEU 46 -2.125 13.213 -2.895 403 HB3 LEU 46 HB3 LEU 46 -2.619 11.837 -1.939 404 HG LEU 46 HG LEU 46 -3.348 13.385 -0.203 405 HD11 LEU 46 HD11 LEU 46 -3.730 15.775 -1.413 406 HD12 LEU 46 HD12 LEU 46 -2.209 15.286 -2.149 407 HD13 LEU 46 HD13 LEU 46 -2.332 15.417 -0.399 408 HD21 LEU 46 HD21 LEU 46 -5.056 12.545 -1.670 409 HD22 LEU 46 HD22 LEU 46 -4.527 13.598 -2.978 410 HD23 LEU 46 HD23 LEU 46 -5.331 14.280 -1.569 411 H SER 47 H SER 47 -1.078 14.164 -3.394 412 HA SER 47 HA SER 47 1.668 15.225 -3.189 413 HB2 SER 47 HB2 SER 47 -0.297 15.267 -5.537 414 HB3 SER 47 HB3 SER 47 1.425 15.692 -5.611 415 HG SER 47 HG SER 47 0.233 13.199 -5.015 416 H GLU 48 H GLU 48 -0.195 16.931 -5.273 417 HA GLU 48 HA GLU 48 -1.296 18.891 -3.490 418 HB2 GLU 48 HB2 GLU 48 1.417 19.253 -4.801 419 HB3 GLU 48 HB3 GLU 48 0.376 20.652 -4.586 420 HG2 GLU 48 HG2 GLU 48 0.184 19.610 -2.093 421 HG3 GLU 48 HG3 GLU 48 1.787 19.011 -2.528 422 H ARG 49 H ARG 49 0.257 18.578 -6.674 423 HA ARG 49 HA ARG 49 -1.520 20.170 -8.101 424 HB2 ARG 49 HB2 ARG 49 0.021 17.639 -8.814 425 HB3 ARG 49 HB3 ARG 49 -1.015 18.417 -10.006 426 HG2 ARG 49 HG2 ARG 49 0.251 20.592 -9.422 427 HG3 ARG 49 HG3 ARG 49 1.429 19.552 -8.628 428 HD2 ARG 49 HD2 ARG 49 0.841 19.879 -11.531 429 HD3 ARG 49 HD3 ARG 49 2.371 19.528 -10.730 430 HE ARG 49 HE ARG 49 1.003 17.198 -10.341 431 HH11 ARG 49 HH11 ARG 49 -0.493 18.423 -12.792 432 HH12 ARG 49 HH12 ARG 49 0.260 17.541 -14.079 433 HH21 ARG 49 HH21 ARG 49 2.874 16.403 -12.040 434 HH22 ARG 49 HH22 ARG 49 2.218 16.369 -13.643 435 H GLN 50 H GLN 50 -1.797 17.086 -6.618 436 HA GLN 50 HA GLN 50 -4.159 16.173 -7.995 437 HB2 GLN 50 HB2 GLN 50 -2.707 15.470 -5.417 438 HB3 GLN 50 HB3 GLN 50 -4.302 14.791 -5.720 439 HG2 GLN 50 HG2 GLN 50 -3.400 14.041 -7.994 440 HG3 GLN 50 HG3 GLN 50 -1.799 14.458 -7.391 441 HE21 GLN 50 HE21 GLN 50 -0.759 12.633 -6.629 442 HE22 GLN 50 HE22 GLN 50 -1.498 11.358 -5.789 443 H VAL 51 H VAL 51 -3.496 18.188 -5.180 444 HA VAL 51 HA VAL 51 -6.256 18.148 -4.350 445 HB VAL 51 HB VAL 51 -4.094 20.128 -3.644 446 HG11 VAL 51 HG11 VAL 51 -6.055 21.193 -2.978 447 HG12 VAL 51 HG12 VAL 51 -5.735 20.228 -1.548 448 HG13 VAL 51 HG13 VAL 51 -6.911 19.678 -2.728 449 HG21 VAL 51 HG21 VAL 51 -3.279 18.119 -2.771 450 HG22 VAL 51 HG22 VAL 51 -4.884 17.431 -2.586 451 HG23 VAL 51 HG23 VAL 51 -4.304 18.632 -1.439 452 H THR 52 H THR 52 -4.121 20.325 -6.024 453 HA THR 52 HA THR 52 -5.850 22.449 -6.445 454 HB THR 52 HB THR 52 -4.425 21.682 -8.893 455 HG1 THR 52 HG1 THR 52 -2.900 21.801 -6.535 456 HG21 THR 52 HG21 THR 52 -4.815 24.048 -7.638 457 HG22 THR 52 HG22 THR 52 -3.344 23.782 -8.568 458 HG23 THR 52 HG23 THR 52 -3.327 23.590 -6.817 459 H ILE 53 H ILE 53 -5.680 19.263 -7.757 460 HA ILE 53 HA ILE 53 -7.611 19.672 -9.860 461 HB ILE 53 HB ILE 53 -5.883 17.566 -8.830 462 HG12 ILE 53 HG12 ILE 53 -6.021 18.419 -11.155 463 HG13 ILE 53 HG13 ILE 53 -6.146 16.668 -11.067 464 HG21 ILE 53 HG21 ILE 53 -8.799 16.744 -9.324 465 HG22 ILE 53 HG22 ILE 53 -7.918 16.561 -7.819 466 HG23 ILE 53 HG23 ILE 53 -7.458 15.613 -9.228 467 HD11 ILE 53 HD11 ILE 53 -7.890 18.178 -12.484 468 HD12 ILE 53 HD12 ILE 53 -8.717 18.181 -10.934 469 HD13 ILE 53 HD13 ILE 53 -8.357 16.657 -11.732 470 H TRP 54 H TRP 54 -7.610 18.812 -6.504 471 HA TRP 54 HA TRP 54 -10.231 17.783 -6.260 472 HB2 TRP 54 HB2 TRP 54 -8.177 18.366 -4.527 473 HB3 TRP 54 HB3 TRP 54 -9.290 19.618 -4.099 474 HD1 TRP 54 HD1 TRP 54 -11.942 17.984 -4.551 475 HE1 TRP 54 HE1 TRP 54 -12.352 15.881 -3.180 476 HE3 TRP 54 HE3 TRP 54 -7.428 17.562 -2.654 477 HZ2 TRP 54 HZ2 TRP 54 -10.725 14.181 -1.267 478 HZ3 TRP 54 HZ3 TRP 54 -6.800 15.807 -1.090 479 HH2 TRP 54 HH2 TRP 54 -8.422 14.131 -0.418 480 H PHE 55 H PHE 55 -8.821 20.992 -6.066 481 HA PHE 55 HA PHE 55 -11.292 22.334 -5.559 482 HB2 PHE 55 HB2 PHE 55 -8.650 23.089 -6.816 483 HB3 PHE 55 HB3 PHE 55 -9.962 24.255 -6.751 484 HD1 PHE 55 HD1 PHE 55 -8.439 21.730 -4.464 485 HD2 PHE 55 HD2 PHE 55 -9.944 25.676 -4.889 486 HE1 PHE 55 HE1 PHE 55 -7.922 22.160 -2.118 487 HE2 PHE 55 HE2 PHE 55 -9.463 26.099 -2.526 488 HZ PHE 55 HZ PHE 55 -8.439 24.355 -1.137 489 H GLN 56 H GLN 56 -9.759 21.221 -8.486 490 HA GLN 56 HA GLN 56 -11.569 22.580 -10.292 491 HB2 GLN 56 HB2 GLN 56 -9.215 21.174 -10.516 492 HB3 GLN 56 HB3 GLN 56 -10.352 20.023 -11.183 493 HG2 GLN 56 HG2 GLN 56 -11.162 21.674 -12.779 494 HG3 GLN 56 HG3 GLN 56 -10.170 22.931 -12.043 495 HE21 GLN 56 HE21 GLN 56 -7.693 22.196 -11.918 496 HE22 GLN 56 HE22 GLN 56 -7.083 21.496 -13.339 497 H ASN 57 H ASN 57 -11.576 19.490 -8.640 498 HA ASN 57 HA ASN 57 -13.765 18.416 -10.234 499 HB2 ASN 57 HB2 ASN 57 -12.156 17.579 -7.835 500 HB3 ASN 57 HB3 ASN 57 -13.800 16.949 -7.911 501 HD21 ASN 57 HD21 ASN 57 -10.990 15.710 -8.435 502 HD22 ASN 57 HD22 ASN 57 -11.186 14.917 -9.923 503 H ARG 58 H ARG 58 -13.184 20.246 -7.450 504 HA ARG 58 HA ARG 58 -15.879 20.069 -6.429 505 HB2 ARG 58 HB2 ARG 58 -13.309 21.437 -5.816 506 HB3 ARG 58 HB3 ARG 58 -14.720 22.367 -5.402 507 HG2 ARG 58 HG2 ARG 58 -14.576 19.460 -4.633 508 HG3 ARG 58 HG3 ARG 58 -13.754 20.662 -3.643 509 HD2 ARG 58 HD2 ARG 58 -15.793 21.799 -3.140 510 HD3 ARG 58 HD3 ARG 58 -16.662 20.965 -4.428 511 HE ARG 58 HE ARG 58 -15.573 19.233 -2.305 512 HH11 ARG 58 HH11 ARG 58 -18.118 20.016 -4.316 513 HH12 ARG 58 HH12 ARG 58 -19.382 19.585 -3.212 514 HH21 ARG 58 HH21 ARG 58 -17.155 19.082 -0.548 515 HH22 ARG 58 HH22 ARG 58 -18.822 19.041 -1.023 516 H ARG 59 H ARG 59 -14.161 21.739 -8.879 517 HA ARG 59 HA ARG 59 -16.144 23.955 -9.012 518 HB2 ARG 59 HB2 ARG 59 -13.653 24.289 -9.497 519 HB3 ARG 59 HB3 ARG 59 -13.837 23.242 -10.901 520 HG2 ARG 59 HG2 ARG 59 -15.375 24.769 -11.944 521 HG3 ARG 59 HG3 ARG 59 -15.524 25.722 -10.471 522 HD2 ARG 59 HD2 ARG 59 -13.888 27.032 -11.368 523 HD3 ARG 59 HD3 ARG 59 -12.788 25.731 -10.917 524 HE ARG 59 HE ARG 59 -13.697 24.907 -13.370 525 HH11 ARG 59 HH11 ARG 59 -11.377 26.909 -12.141 526 HH12 ARG 59 HH12 ARG 59 -11.100 27.825 -13.584 527 HH21 ARG 59 HH21 ARG 59 -13.878 26.458 -15.228 528 HH22 ARG 59 HH22 ARG 59 -12.553 27.566 -15.377 529 H VAL 60 H VAL 60 -15.447 20.883 -10.234 530 HA VAL 60 HA VAL 60 -17.142 21.151 -12.617 531 HB VAL 60 HB VAL 60 -14.968 19.523 -11.793 532 HG11 VAL 60 HG11 VAL 60 -16.695 18.082 -10.628 533 HG12 VAL 60 HG12 VAL 60 -15.752 17.239 -11.851 534 HG13 VAL 60 HG13 VAL 60 -17.398 17.754 -12.208 535 HG21 VAL 60 HG21 VAL 60 -15.462 18.369 -14.047 536 HG22 VAL 60 HG22 VAL 60 -15.247 20.115 -14.085 537 HG23 VAL 60 HG23 VAL 60 -16.866 19.425 -14.148 538 H LYS 61 H LYS 61 -17.417 20.398 -9.331 539 HA LYS 61 HA LYS 61 -19.819 18.736 -9.633 540 HB2 LYS 61 HB2 LYS 61 -18.022 19.638 -7.378 541 HB3 LYS 61 HB3 LYS 61 -19.685 19.236 -6.970 542 HG2 LYS 61 HG2 LYS 61 -18.065 17.358 -8.680 543 HG3 LYS 61 HG3 LYS 61 -17.870 17.338 -6.932 544 HD2 LYS 61 HD2 LYS 61 -20.460 17.191 -6.844 545 HD3 LYS 61 HD3 LYS 61 -20.359 16.759 -8.545 546 HE2 LYS 61 HE2 LYS 61 -20.341 14.694 -7.305 547 HE3 LYS 61 HE3 LYS 61 -18.699 14.952 -7.881 548 HZ1 LYS 61 HZ1 LYS 61 -19.423 16.016 -5.255 549 HZ2 LYS 61 HZ2 LYS 61 -17.938 15.406 -5.807 550 HZ3 LYS 61 HZ3 LYS 61 -19.195 14.339 -5.403 551 H GLU 62 H GLU 62 -18.806 21.983 -8.790 552 HA GLU 62 HA GLU 62 -21.238 22.940 -7.702 553 HB2 GLU 62 HB2 GLU 62 -18.879 24.108 -9.166 554 HB3 GLU 62 HB3 GLU 62 -20.331 25.098 -9.131 555 HG2 GLU 62 HG2 GLU 62 -19.734 23.927 -6.508 556 HG3 GLU 62 HG3 GLU 62 -18.421 24.938 -7.104 557 H LYS 63 H LYS 63 -20.312 21.962 -10.822 558 HA LYS 63 HA LYS 63 -22.222 23.387 -12.373 559 HB2 LYS 63 HB2 LYS 63 -20.906 20.664 -12.775 560 HB3 LYS 63 HB3 LYS 63 -21.823 21.505 -14.023 561 HG2 LYS 63 HG2 LYS 63 -20.267 23.492 -13.599 562 HG3 LYS 63 HG3 LYS 63 -19.252 22.374 -12.692 563 HD2 LYS 63 HD2 LYS 63 -18.306 21.832 -14.686 564 HD3 LYS 63 HD3 LYS 63 -19.803 20.975 -15.036 565 HE2 LYS 63 HE2 LYS 63 -20.734 22.894 -16.158 566 HE3 LYS 63 HE3 LYS 63 -19.421 23.927 -15.606 567 HZ1 LYS 63 HZ1 LYS 63 -17.946 22.267 -16.867 568 HZ2 LYS 63 HZ2 LYS 63 -18.819 23.425 -17.751 569 HZ3 LYS 63 HZ3 LYS 63 -19.380 21.824 -17.662 570 H LYS 64 H LYS 64 -22.544 20.919 -10.093 571 HA LYS 64 HA LYS 64 -24.755 19.464 -11.154 572 HB2 LYS 64 HB2 LYS 64 -23.804 20.128 -8.346 573 HB3 LYS 64 HB3 LYS 64 -25.304 19.236 -8.579 574 HG2 LYS 64 HG2 LYS 64 -23.949 17.665 -10.099 575 HG3 LYS 64 HG3 LYS 64 -22.514 18.437 -9.440 576 HD2 LYS 64 HD2 LYS 64 -24.671 17.032 -7.835 577 HD3 LYS 64 HD3 LYS 64 -23.054 16.416 -8.150 578 HE2 LYS 64 HE2 LYS 64 -22.261 18.678 -7.087 579 HE3 LYS 64 HE3 LYS 64 -23.886 18.732 -6.413 580 HZ1 LYS 64 HZ1 LYS 64 -22.330 17.674 -4.907 581 HZ2 LYS 64 HZ2 LYS 64 -21.956 16.503 -6.080 582 HZ3 LYS 64 HZ3 LYS 64 -23.518 16.571 -5.417 583 H VAL 65 H VAL 65 -24.767 22.587 -11.185 584 HA VAL 65 HA VAL 65 -27.605 22.836 -10.229 585 HB VAL 65 HB VAL 65 -25.243 24.738 -10.054 586 HG11 VAL 65 HG11 VAL 65 -27.034 26.481 -9.413 587 HG12 VAL 65 HG12 VAL 65 -28.188 25.422 -10.217 588 HG13 VAL 65 HG13 VAL 65 -26.859 26.130 -11.130 589 HG21 VAL 65 HG21 VAL 65 -26.352 25.084 -7.765 590 HG22 VAL 65 HG22 VAL 65 -25.656 23.491 -8.049 591 HG23 VAL 65 HG23 VAL 65 -27.397 23.728 -8.177 592 H ILE 66 H ILE 66 -25.392 24.801 -12.205 593 HA ILE 66 HA ILE 66 -27.338 25.825 -13.942 594 HB ILE 66 HB ILE 66 -25.193 25.632 -15.623 595 HG12 ILE 66 HG12 ILE 66 -23.986 25.476 -12.843 596 HG13 ILE 66 HG13 ILE 66 -24.078 24.096 -13.933 597 HG21 ILE 66 HG21 ILE 66 -26.147 27.738 -14.700 598 HG22 ILE 66 HG22 ILE 66 -24.397 27.759 -14.507 599 HG23 ILE 66 HG23 ILE 66 -25.431 27.398 -13.128 600 HD11 ILE 66 HD11 ILE 66 -22.365 26.525 -14.087 601 HD12 ILE 66 HD12 ILE 66 -23.019 25.946 -15.617 602 HD13 ILE 66 HD13 ILE 66 -22.029 24.882 -14.623 603 H ASN 67 H ASN 67 -25.328 22.926 -14.417 604 HA ASN 67 HA ASN 67 -26.951 22.197 -16.768 605 HB2 ASN 67 HB2 ASN 67 -24.459 21.125 -15.408 606 HB3 ASN 67 HB3 ASN 67 -25.337 20.084 -16.526 607 HD21 ASN 67 HD21 ASN 67 -26.209 22.084 -18.389 608 HD22 ASN 67 HD22 ASN 67 -24.842 22.705 -19.182 609 H LYS 68 H LYS 68 -28.847 22.156 -15.154 610 HA LYS 68 HA LYS 68 -29.532 19.384 -14.740 611 HB2 LYS 68 HB2 LYS 68 -28.024 19.862 -12.751 612 HB3 LYS 68 HB3 LYS 68 -29.160 21.105 -12.238 613 HG2 LYS 68 HG2 LYS 68 -30.912 19.489 -11.915 614 HG3 LYS 68 HG3 LYS 68 -29.989 18.232 -12.728 615 HD2 LYS 68 HD2 LYS 68 -28.367 18.160 -10.941 616 HD3 LYS 68 HD3 LYS 68 -29.050 19.597 -10.189 617 HE2 LYS 68 HE2 LYS 68 -29.705 17.207 -9.280 618 HE3 LYS 68 HE3 LYS 68 -30.935 18.458 -9.411 619 HZ1 LYS 68 HZ1 LYS 68 -31.812 16.507 -10.365 620 HZ2 LYS 68 HZ2 LYS 68 -30.417 16.234 -11.295 621 HZ3 LYS 68 HZ3 LYS 68 -31.438 17.542 -11.658 622 H LEU 69 H LEU 69 -30.825 21.318 -12.279 623 HA LEU 69 HA LEU 69 -33.032 22.048 -11.962 624 HB2 LEU 69 HB2 LEU 69 -31.951 23.335 -14.452 625 HB3 LEU 69 HB3 LEU 69 -33.689 23.472 -14.212 626 HG LEU 69 HG LEU 69 -31.696 24.135 -12.036 627 HD11 LEU 69 HD11 LEU 69 -31.259 25.644 -13.903 628 HD12 LEU 69 HD12 LEU 69 -32.155 26.525 -12.670 629 HD13 LEU 69 HD13 LEU 69 -32.982 25.942 -14.110 630 HD21 LEU 69 HD21 LEU 69 -34.300 25.482 -12.136 631 HD22 LEU 69 HD22 LEU 69 -33.537 24.627 -10.798 632 HD23 LEU 69 HD23 LEU 69 -34.449 23.731 -12.010 633 H LYS 70 H LYS 70 -33.700 19.773 -12.146 634 HA LYS 70 HA LYS 70 -35.689 19.517 -14.329 635 HB2 LYS 70 HB2 LYS 70 -33.262 17.823 -13.910 636 HB3 LYS 70 HB3 LYS 70 -34.753 16.929 -14.180 637 HG2 LYS 70 HG2 LYS 70 -34.240 19.251 -15.978 638 HG3 LYS 70 HG3 LYS 70 -33.228 17.832 -16.213 639 HD2 LYS 70 HD2 LYS 70 -35.370 16.453 -16.238 640 HD3 LYS 70 HD3 LYS 70 -36.255 17.973 -16.299 641 HE2 LYS 70 HE2 LYS 70 -36.028 17.707 -18.562 642 HE3 LYS 70 HE3 LYS 70 -34.436 18.399 -18.275 643 HZ1 LYS 70 HZ1 LYS 70 -33.419 16.418 -18.536 644 HZ2 LYS 70 HZ2 LYS 70 -34.773 16.119 -19.516 645 HZ3 LYS 70 HZ3 LYS 70 -34.725 15.520 -17.927 646 H THR 71 H THR 71 -37.522 19.318 -13.229 647 HA THR 71 HA THR 71 -37.530 17.731 -10.702 648 HB THR 71 HB THR 71 -39.770 18.875 -10.333 649 HG1 THR 71 HG1 THR 71 -40.330 19.028 -12.500 650 HG21 THR 71 HG21 THR 71 -38.917 21.150 -10.074 651 HG22 THR 71 HG22 THR 71 -37.766 20.938 -11.390 652 HG23 THR 71 HG23 THR 71 -37.503 20.125 -9.851 653 H THR 72 H THR 72 -37.956 15.652 -11.063 654 HA THR 72 HA THR 72 -39.845 14.909 -13.231 655 HB THR 72 HB THR 72 -39.040 12.505 -12.427 656 HG1 THR 72 HG1 THR 72 -36.794 13.694 -11.467 657 HG21 THR 72 HG21 THR 72 -37.184 14.662 -13.570 658 HG22 THR 72 HG22 THR 72 -37.976 13.365 -14.459 659 HG23 THR 72 HG23 THR 72 -36.639 12.999 -13.373 660 H SER 73 H SER 73 -41.439 16.046 -11.617 661 HA SER 73 HA SER 73 -42.346 14.177 -9.504 662 HB2 SER 73 HB2 SER 73 -42.315 16.600 -8.955 663 HB3 SER 73 HB3 SER 73 -43.353 16.951 -10.351 664 HG SER 73 HG SER 73 -44.083 14.992 -8.464 Start of MODEL 15 1 HA MET 1 HA MET 1 -7.677 -19.692 0.078 2 H SER 2 H SER 2 -7.300 -17.319 0.626 3 HA SER 2 HA SER 2 -6.602 -16.872 3.468 4 HB2 SER 2 HB2 SER 2 -4.481 -16.312 1.358 5 HB3 SER 2 HB3 SER 2 -4.265 -16.632 3.091 6 HG SER 2 HG SER 2 -4.057 -18.641 2.525 7 H HIS 3 H HIS 3 -8.576 -15.679 1.816 8 HA HIS 3 HA HIS 3 -7.660 -12.873 2.025 9 HB2 HIS 3 HB2 HIS 3 -7.202 -13.512 -0.343 10 HB3 HIS 3 HB3 HIS 3 -8.858 -14.083 -0.523 11 HD1 HIS 3 HD1 HIS 3 -9.354 -12.233 -2.208 12 HD2 HIS 3 HD2 HIS 3 -8.225 -10.718 1.378 13 HE1 HIS 3 HE1 HIS 3 -9.917 -9.881 -2.332 14 H MET 4 H MET 4 -9.217 -13.339 3.850 15 HA MET 4 HA MET 4 -11.889 -12.413 2.981 16 HB2 MET 4 HB2 MET 4 -11.962 -14.943 3.091 17 HB3 MET 4 HB3 MET 4 -11.488 -14.853 4.784 18 HG2 MET 4 HG2 MET 4 -13.804 -14.983 4.925 19 HG3 MET 4 HG3 MET 4 -13.502 -13.272 5.060 20 HE1 MET 4 HE1 MET 4 -16.003 -14.692 4.817 21 HE2 MET 4 HE2 MET 4 -16.977 -14.241 3.418 22 HE3 MET 4 HE3 MET 4 -16.374 -12.995 4.512 23 H LEU 5 H LEU 5 -10.178 -13.591 5.887 24 HA LEU 5 HA LEU 5 -11.551 -11.739 7.626 25 HB2 LEU 5 HB2 LEU 5 -9.051 -13.462 7.890 26 HB3 LEU 5 HB3 LEU 5 -9.569 -12.402 9.195 27 HG LEU 5 HG LEU 5 -11.796 -13.520 9.190 28 HD11 LEU 5 HD11 LEU 5 -11.709 -15.814 7.902 29 HD12 LEU 5 HD12 LEU 5 -10.485 -15.010 6.925 30 HD13 LEU 5 HD13 LEU 5 -12.114 -14.347 7.015 31 HD21 LEU 5 HD21 LEU 5 -9.819 -14.319 10.594 32 HD22 LEU 5 HD22 LEU 5 -9.562 -15.562 9.373 33 HD23 LEU 5 HD23 LEU 5 -11.062 -15.530 10.294 34 H GLU 6 H GLU 6 -11.036 -9.716 8.217 35 HA GLU 6 HA GLU 6 -9.115 -8.236 6.658 36 HB2 GLU 6 HB2 GLU 6 -10.504 -7.485 9.280 37 HB3 GLU 6 HB3 GLU 6 -9.739 -6.356 8.168 38 HG2 GLU 6 HG2 GLU 6 -12.025 -8.194 7.386 39 HG3 GLU 6 HG3 GLU 6 -12.248 -6.521 7.894 40 H GLY 7 H GLY 7 -8.594 -6.848 9.502 41 HA2 GLY 7 HA2 GLY 7 -6.775 -8.477 10.921 42 HA3 GLY 7 HA3 GLY 7 -5.851 -7.681 9.652 43 H ARG 8 H ARG 8 -4.818 -5.968 10.420 44 HA ARG 8 HA ARG 8 -6.300 -3.918 11.924 45 HB2 ARG 8 HB2 ARG 8 -5.572 -5.263 13.801 46 HB3 ARG 8 HB3 ARG 8 -4.000 -5.566 13.075 47 HG2 ARG 8 HG2 ARG 8 -3.760 -3.914 14.866 48 HG3 ARG 8 HG3 ARG 8 -3.452 -3.131 13.325 49 HD2 ARG 8 HD2 ARG 8 -5.624 -2.105 13.313 50 HD3 ARG 8 HD3 ARG 8 -6.185 -3.126 14.635 51 HE ARG 8 HE ARG 8 -3.911 -1.631 15.520 52 HH11 ARG 8 HH11 ARG 8 -6.458 -1.908 17.021 53 HH12 ARG 8 HH12 ARG 8 -7.098 -0.298 16.984 54 HH21 ARG 8 HH21 ARG 8 -4.987 0.692 14.366 55 HH22 ARG 8 HH22 ARG 8 -6.243 1.213 15.439 56 H LYS 9 H LYS 9 -3.454 -5.037 10.264 57 HA LYS 9 HA LYS 9 -2.104 -2.453 10.347 58 HB2 LYS 9 HB2 LYS 9 -1.692 -5.072 8.866 59 HB3 LYS 9 HB3 LYS 9 -0.750 -3.652 8.425 60 HG2 LYS 9 HG2 LYS 9 0.420 -5.053 10.125 61 HG3 LYS 9 HG3 LYS 9 0.061 -3.441 10.737 62 HD2 LYS 9 HD2 LYS 9 -1.866 -4.259 11.954 63 HD3 LYS 9 HD3 LYS 9 -1.739 -5.841 11.194 64 HE2 LYS 9 HE2 LYS 9 0.694 -5.808 12.222 65 HE3 LYS 9 HE3 LYS 9 0.005 -4.610 13.310 66 HZ1 LYS 9 HZ1 LYS 9 -0.086 -7.126 13.884 67 HZ2 LYS 9 HZ2 LYS 9 -1.443 -7.120 12.862 68 HZ3 LYS 9 HZ3 LYS 9 -1.410 -6.120 14.235 69 H LYS 10 H LYS 10 -4.249 -1.456 9.591 70 HA LYS 10 HA LYS 10 -3.966 -0.989 6.672 71 HB2 LYS 10 HB2 LYS 10 -5.802 -2.732 7.168 72 HB3 LYS 10 HB3 LYS 10 -6.676 -1.454 8.006 73 HG2 LYS 10 HG2 LYS 10 -5.855 -0.378 5.502 74 HG3 LYS 10 HG3 LYS 10 -6.528 -1.970 5.170 75 HD2 LYS 10 HD2 LYS 10 -7.905 0.135 6.871 76 HD3 LYS 10 HD3 LYS 10 -8.255 -0.140 5.168 77 HE2 LYS 10 HE2 LYS 10 -9.795 -1.631 5.943 78 HE3 LYS 10 HE3 LYS 10 -8.410 -2.691 6.175 79 HZ1 LYS 10 HZ1 LYS 10 -9.005 -2.723 8.295 80 HZ2 LYS 10 HZ2 LYS 10 -10.066 -1.408 8.119 81 HZ3 LYS 10 HZ3 LYS 10 -8.413 -1.135 8.400 82 H ARG 11 H ARG 11 -4.858 1.016 5.979 83 HA ARG 11 HA ARG 11 -5.990 2.829 7.978 84 HB2 ARG 11 HB2 ARG 11 -3.171 2.682 7.719 85 HB3 ARG 11 HB3 ARG 11 -3.619 4.115 6.802 86 HG2 ARG 11 HG2 ARG 11 -4.733 3.621 9.571 87 HG3 ARG 11 HG3 ARG 11 -3.177 4.410 9.341 88 HD2 ARG 11 HD2 ARG 11 -5.847 5.328 8.220 89 HD3 ARG 11 HD3 ARG 11 -4.907 6.127 9.480 90 HE ARG 11 HE ARG 11 -4.407 6.301 6.623 91 HH11 ARG 11 HH11 ARG 11 -3.789 7.812 9.420 92 HH12 ARG 11 HH12 ARG 11 -2.102 8.114 9.163 93 HH21 ARG 11 HH21 ARG 11 -1.939 5.987 6.381 94 HH22 ARG 11 HH22 ARG 11 -1.028 7.055 7.395 95 H VAL 12 H VAL 12 -6.946 4.619 7.085 96 HA VAL 12 HA VAL 12 -6.638 5.024 4.156 97 HB VAL 12 HB VAL 12 -9.302 5.284 4.285 98 HG11 VAL 12 HG11 VAL 12 -9.479 2.794 3.803 99 HG12 VAL 12 HG12 VAL 12 -7.779 2.659 4.242 100 HG13 VAL 12 HG13 VAL 12 -8.255 3.635 2.855 101 HG21 VAL 12 HG21 VAL 12 -8.679 3.371 6.560 102 HG22 VAL 12 HG22 VAL 12 -10.283 3.701 5.913 103 HG23 VAL 12 HG23 VAL 12 -9.390 4.972 6.742 104 HA PRO 13 HA PRO 13 -6.689 9.287 5.006 105 HB2 PRO 13 HB2 PRO 13 -8.680 9.951 2.979 106 HB3 PRO 13 HB3 PRO 13 -6.931 10.173 2.891 107 HG2 PRO 13 HG2 PRO 13 -8.543 8.150 1.552 108 HG3 PRO 13 HG3 PRO 13 -6.805 8.421 1.406 109 HD2 PRO 13 HD2 PRO 13 -8.093 6.245 2.741 110 HD3 PRO 13 HD3 PRO 13 -6.361 6.620 2.739 111 H TYR 14 H TYR 14 -8.029 10.999 5.850 112 HA TYR 14 HA TYR 14 -10.148 10.050 7.516 113 HB2 TYR 14 HB2 TYR 14 -9.350 12.870 6.647 114 HB3 TYR 14 HB3 TYR 14 -10.560 12.541 7.885 115 HD1 TYR 14 HD1 TYR 14 -9.811 10.991 9.850 116 HD2 TYR 14 HD2 TYR 14 -7.073 12.975 7.267 117 HE1 TYR 14 HE1 TYR 14 -8.039 10.731 11.526 118 HE2 TYR 14 HE2 TYR 14 -5.302 12.710 8.942 119 HH TYR 14 HH TYR 14 -5.361 12.424 11.656 120 H THR 15 H THR 15 -10.108 11.315 4.273 121 HA THR 15 HA THR 15 -11.812 11.613 2.710 122 HB THR 15 HB THR 15 -13.396 9.768 4.600 123 HG1 THR 15 HG1 THR 15 -11.569 9.332 2.460 124 HG21 THR 15 HG21 THR 15 -14.877 10.456 2.813 125 HG22 THR 15 HG22 THR 15 -14.131 8.995 2.171 126 HG23 THR 15 HG23 THR 15 -13.552 10.577 1.660 127 H LYS 16 H LYS 16 -13.898 11.233 5.548 128 HA LYS 16 HA LYS 16 -15.610 13.341 4.881 129 HB2 LYS 16 HB2 LYS 16 -14.963 11.793 7.327 130 HB3 LYS 16 HB3 LYS 16 -15.560 13.412 7.677 131 HG2 LYS 16 HG2 LYS 16 -17.445 12.908 5.992 132 HG3 LYS 16 HG3 LYS 16 -16.928 11.230 6.084 133 HD2 LYS 16 HD2 LYS 16 -17.446 12.762 8.620 134 HD3 LYS 16 HD3 LYS 16 -18.802 12.097 7.716 135 HE2 LYS 16 HE2 LYS 16 -18.218 9.922 8.178 136 HE3 LYS 16 HE3 LYS 16 -16.495 10.270 8.147 137 HZ1 LYS 16 HZ1 LYS 16 -16.738 9.993 10.349 138 HZ2 LYS 16 HZ2 LYS 16 -18.381 10.426 10.352 139 HZ3 LYS 16 HZ3 LYS 16 -17.186 11.631 10.294 140 H VAL 17 H VAL 17 -12.684 13.491 6.916 141 HA VAL 17 HA VAL 17 -12.971 16.339 7.388 142 HB VAL 17 HB VAL 17 -10.412 14.664 7.455 143 HG11 VAL 17 HG11 VAL 17 -9.701 16.837 7.803 144 HG12 VAL 17 HG12 VAL 17 -10.155 16.427 9.454 145 HG13 VAL 17 HG13 VAL 17 -11.258 17.354 8.440 146 HG21 VAL 17 HG21 VAL 17 -12.453 13.765 8.788 147 HG22 VAL 17 HG22 VAL 17 -12.238 15.184 9.808 148 HG23 VAL 17 HG23 VAL 17 -10.948 13.993 9.674 149 H GLN 18 H GLN 18 -11.344 14.284 5.134 150 HA GLN 18 HA GLN 18 -9.763 16.222 3.761 151 HB2 GLN 18 HB2 GLN 18 -10.383 13.467 3.628 152 HB3 GLN 18 HB3 GLN 18 -10.948 14.092 2.095 153 HG2 GLN 18 HG2 GLN 18 -8.756 15.145 1.709 154 HG3 GLN 18 HG3 GLN 18 -8.196 14.552 3.271 155 HE21 GLN 18 HE21 GLN 18 -6.526 13.237 2.202 156 HE22 GLN 18 HE22 GLN 18 -6.937 11.803 1.393 157 H LEU 19 H LEU 19 -12.988 14.860 2.926 158 HA LEU 19 HA LEU 19 -13.428 16.745 0.778 159 HB2 LEU 19 HB2 LEU 19 -14.868 14.535 2.119 160 HB3 LEU 19 HB3 LEU 19 -15.950 15.837 1.637 161 HG LEU 19 HG LEU 19 -15.512 13.999 -0.114 162 HD11 LEU 19 HD11 LEU 19 -16.418 16.344 -0.526 163 HD12 LEU 19 HD12 LEU 19 -15.631 15.591 -1.908 164 HD13 LEU 19 HD13 LEU 19 -14.779 16.812 -0.967 165 HD21 LEU 19 HD21 LEU 19 -13.073 15.424 -0.962 166 HD22 LEU 19 HD22 LEU 19 -13.425 13.697 -0.965 167 HD23 LEU 19 HD23 LEU 19 -12.877 14.482 0.515 168 H LYS 20 H LYS 20 -13.687 16.975 4.159 169 HA LYS 20 HA LYS 20 -15.701 19.144 4.041 170 HB2 LYS 20 HB2 LYS 20 -14.262 17.703 6.292 171 HB3 LYS 20 HB3 LYS 20 -15.149 19.182 6.603 172 HG2 LYS 20 HG2 LYS 20 -17.216 18.219 5.931 173 HG3 LYS 20 HG3 LYS 20 -16.425 16.861 5.144 174 HD2 LYS 20 HD2 LYS 20 -17.133 15.911 7.178 175 HD3 LYS 20 HD3 LYS 20 -15.473 16.365 7.543 176 HE2 LYS 20 HE2 LYS 20 -16.511 18.646 8.287 177 HE3 LYS 20 HE3 LYS 20 -18.024 17.752 8.355 178 HZ1 LYS 20 HZ1 LYS 20 -15.666 17.546 10.045 179 HZ2 LYS 20 HZ2 LYS 20 -16.469 16.093 9.688 180 HZ3 LYS 20 HZ3 LYS 20 -17.308 17.366 10.438 181 H GLU 21 H GLU 21 -12.248 18.678 4.668 182 HA GLU 21 HA GLU 21 -11.862 21.480 5.427 183 HB2 GLU 21 HB2 GLU 21 -10.023 19.161 4.680 184 HB3 GLU 21 HB3 GLU 21 -9.376 20.782 4.904 185 HG2 GLU 21 HG2 GLU 21 -11.205 19.858 7.046 186 HG3 GLU 21 HG3 GLU 21 -9.680 18.983 6.938 187 H LEU 22 H LEU 22 -12.290 19.671 2.692 188 HA LEU 22 HA LEU 22 -10.917 21.434 0.824 189 HB2 LEU 22 HB2 LEU 22 -11.181 18.952 0.574 190 HB3 LEU 22 HB3 LEU 22 -12.918 19.153 0.484 191 HG LEU 22 HG LEU 22 -12.824 20.060 -1.652 192 HD11 LEU 22 HD11 LEU 22 -10.638 20.938 -2.615 193 HD12 LEU 22 HD12 LEU 22 -9.946 20.787 -1.004 194 HD13 LEU 22 HD13 LEU 22 -11.286 21.889 -1.286 195 HD21 LEU 22 HD21 LEU 22 -11.757 18.374 -2.800 196 HD22 LEU 22 HD22 LEU 22 -11.648 17.687 -1.187 197 HD23 LEU 22 HD23 LEU 22 -10.270 18.538 -1.882 198 H GLU 23 H GLU 23 -14.268 20.580 1.629 199 HA GLU 23 HA GLU 23 -15.408 22.518 -0.192 200 HB2 GLU 23 HB2 GLU 23 -16.350 20.563 1.831 201 HB3 GLU 23 HB3 GLU 23 -17.333 22.024 1.779 202 HG2 GLU 23 HG2 GLU 23 -16.549 20.606 -0.769 203 HG3 GLU 23 HG3 GLU 23 -17.953 20.080 0.159 204 H ARG 24 H ARG 24 -14.115 22.613 2.981 205 HA ARG 24 HA ARG 24 -15.528 25.033 3.783 206 HB2 ARG 24 HB2 ARG 24 -13.366 23.265 4.880 207 HB3 ARG 24 HB3 ARG 24 -13.333 24.937 5.417 208 HG2 ARG 24 HG2 ARG 24 -14.750 23.220 6.786 209 HG3 ARG 24 HG3 ARG 24 -15.456 24.787 6.426 210 HD2 ARG 24 HD2 ARG 24 -15.903 22.693 4.372 211 HD3 ARG 24 HD3 ARG 24 -16.716 22.430 5.907 212 HE ARG 24 HE ARG 24 -17.318 24.558 3.987 213 HH11 ARG 24 HH11 ARG 24 -17.541 23.245 7.145 214 HH12 ARG 24 HH12 ARG 24 -18.826 24.288 7.654 215 HH21 ARG 24 HH21 ARG 24 -18.914 26.007 4.601 216 HH22 ARG 24 HH22 ARG 24 -19.624 25.893 6.176 217 H GLU 25 H GLU 25 -12.127 24.309 3.000 218 HA GLU 25 HA GLU 25 -11.223 26.962 2.925 219 HB2 GLU 25 HB2 GLU 25 -10.457 24.645 1.081 220 HB3 GLU 25 HB3 GLU 25 -9.491 26.094 1.329 221 HG2 GLU 25 HG2 GLU 25 -10.335 24.576 3.761 222 HG3 GLU 25 HG3 GLU 25 -9.075 23.859 2.759 223 H TYR 26 H TYR 26 -13.311 25.235 0.788 224 HA TYR 26 HA TYR 26 -12.982 27.125 -1.435 225 HB2 TYR 26 HB2 TYR 26 -13.976 24.525 -1.172 226 HB3 TYR 26 HB3 TYR 26 -15.453 25.468 -1.327 227 HD1 TYR 26 HD1 TYR 26 -14.307 27.700 -3.079 228 HD2 TYR 26 HD2 TYR 26 -13.948 23.469 -3.329 229 HE1 TYR 26 HE1 TYR 26 -13.953 27.875 -5.494 230 HE2 TYR 26 HE2 TYR 26 -13.599 23.646 -5.749 231 HH TYR 26 HH TYR 26 -12.992 25.136 -7.412 232 H ALA 27 H ALA 27 -15.264 26.514 1.177 233 HA ALA 27 HA ALA 27 -16.949 28.762 0.308 234 HB1 ALA 27 HB1 ALA 27 -18.287 28.072 2.382 235 HB2 ALA 27 HB2 ALA 27 -17.105 26.791 2.634 236 HB3 ALA 27 HB3 ALA 27 -18.105 26.793 1.184 237 H THR 28 H THR 28 -14.283 28.229 2.317 238 HA THR 28 HA THR 28 -14.834 30.199 4.350 239 HB THR 28 HB THR 28 -12.187 29.026 3.285 240 HG1 THR 28 HG1 THR 28 -13.719 28.559 5.634 241 HG21 THR 28 HG21 THR 28 -12.130 31.269 4.715 242 HG22 THR 28 HG22 THR 28 -11.161 29.917 5.288 243 HG23 THR 28 HG23 THR 28 -12.720 30.258 6.029 244 H ASN 29 H ASN 29 -13.477 30.246 1.145 245 HA ASN 29 HA ASN 29 -13.759 33.145 1.073 246 HB2 ASN 29 HB2 ASN 29 -11.131 31.802 1.473 247 HB3 ASN 29 HB3 ASN 29 -11.148 32.968 0.152 248 HD21 ASN 29 HD21 ASN 29 -11.388 35.211 0.679 249 HD22 ASN 29 HD22 ASN 29 -11.385 35.781 2.277 250 H LYS 30 H LYS 30 -11.403 31.359 -0.794 251 HA LYS 30 HA LYS 30 -13.279 30.923 -3.024 252 HB2 LYS 30 HB2 LYS 30 -11.385 33.224 -2.866 253 HB3 LYS 30 HB3 LYS 30 -11.260 32.296 -4.356 254 HG2 LYS 30 HG2 LYS 30 -13.707 32.533 -4.698 255 HG3 LYS 30 HG3 LYS 30 -13.813 33.485 -3.223 256 HD2 LYS 30 HD2 LYS 30 -11.994 34.987 -4.318 257 HD3 LYS 30 HD3 LYS 30 -12.465 34.199 -5.821 258 HE2 LYS 30 HE2 LYS 30 -14.334 35.672 -3.936 259 HE3 LYS 30 HE3 LYS 30 -13.753 36.279 -5.481 260 HZ1 LYS 30 HZ1 LYS 30 -15.084 34.890 -6.642 261 HZ2 LYS 30 HZ2 LYS 30 -16.040 35.034 -5.246 262 HZ3 LYS 30 HZ3 LYS 30 -15.056 33.668 -5.463 263 H PHE 31 H PHE 31 -9.810 31.371 -2.477 264 HA PHE 31 HA PHE 31 -9.354 28.536 -2.957 265 HB2 PHE 31 HB2 PHE 31 -9.269 30.118 -5.197 266 HB3 PHE 31 HB3 PHE 31 -7.611 30.318 -4.627 267 HD1 PHE 31 HD1 PHE 31 -6.388 28.110 -3.939 268 HD2 PHE 31 HD2 PHE 31 -9.822 28.163 -6.418 269 HE1 PHE 31 HE1 PHE 31 -5.896 25.830 -4.622 270 HE2 PHE 31 HE2 PHE 31 -9.299 25.885 -7.160 271 HZ PHE 31 HZ PHE 31 -7.353 24.698 -6.210 272 H ILE 32 H ILE 32 -7.180 27.955 -2.451 273 HA ILE 32 HA ILE 32 -6.019 29.869 -0.499 274 HB ILE 32 HB ILE 32 -4.924 27.282 -0.168 275 HG12 ILE 32 HG12 ILE 32 -7.117 26.018 0.195 276 HG13 ILE 32 HG13 ILE 32 -7.862 27.205 -0.861 277 HG21 ILE 32 HG21 ILE 32 -7.159 28.836 1.201 278 HG22 ILE 32 HG22 ILE 32 -5.463 28.799 1.673 279 HG23 ILE 32 HG23 ILE 32 -6.469 27.369 1.887 280 HD11 ILE 32 HD11 ILE 32 -5.619 26.565 -2.305 281 HD12 ILE 32 HD12 ILE 32 -7.174 25.762 -2.521 282 HD13 ILE 32 HD13 ILE 32 -5.939 25.028 -1.499 283 H THR 33 H THR 33 -3.749 29.974 -0.264 284 HA THR 33 HA THR 33 -2.340 30.310 -2.732 285 HB THR 33 HB THR 33 -1.527 31.683 -0.928 286 HG1 THR 33 HG1 THR 33 0.058 30.374 -2.138 287 HG21 THR 33 HG21 THR 33 -2.516 29.904 0.839 288 HG22 THR 33 HG22 THR 33 -1.134 30.887 1.302 289 HG23 THR 33 HG23 THR 33 -0.894 29.228 0.762 290 H LYS 34 H LYS 34 -0.342 29.282 -3.355 291 HA LYS 34 HA LYS 34 -0.578 26.495 -3.703 292 HB2 LYS 34 HB2 LYS 34 2.054 28.047 -3.627 293 HB3 LYS 34 HB3 LYS 34 1.709 26.595 -4.558 294 HG2 LYS 34 HG2 LYS 34 0.262 29.236 -4.939 295 HG3 LYS 34 HG3 LYS 34 1.620 28.708 -5.922 296 HD2 LYS 34 HD2 LYS 34 -0.005 27.784 -7.238 297 HD3 LYS 34 HD3 LYS 34 0.039 26.491 -6.046 298 HE2 LYS 34 HE2 LYS 34 -2.186 26.945 -5.852 299 HE3 LYS 34 HE3 LYS 34 -1.655 28.236 -4.816 300 HZ1 LYS 34 HZ1 LYS 34 -3.216 28.626 -6.887 301 HZ2 LYS 34 HZ2 LYS 34 -1.716 28.781 -7.669 302 HZ3 LYS 34 HZ3 LYS 34 -2.100 29.793 -6.359 303 H ASP 35 H ASP 35 0.928 28.302 -1.112 304 HA ASP 35 HA ASP 35 2.315 25.995 -0.014 305 HB2 ASP 35 HB2 ASP 35 2.695 28.598 0.394 306 HB3 ASP 35 HB3 ASP 35 1.456 28.400 1.631 307 H LYS 36 H LYS 36 -0.830 27.471 0.357 308 HA LYS 36 HA LYS 36 -1.439 25.762 2.642 309 HB2 LYS 36 HB2 LYS 36 -2.290 28.186 2.183 310 HB3 LYS 36 HB3 LYS 36 -3.425 27.409 1.127 311 HG2 LYS 36 HG2 LYS 36 -4.650 27.355 3.096 312 HG3 LYS 36 HG3 LYS 36 -3.800 25.822 3.225 313 HD2 LYS 36 HD2 LYS 36 -3.464 26.935 5.320 314 HD3 LYS 36 HD3 LYS 36 -1.952 27.108 4.436 315 HE2 LYS 36 HE2 LYS 36 -2.297 29.366 4.013 316 HE3 LYS 36 HE3 LYS 36 -4.047 29.220 4.083 317 HZ1 LYS 36 HZ1 LYS 36 -2.126 29.610 6.222 318 HZ2 LYS 36 HZ2 LYS 36 -3.436 28.587 6.569 319 HZ3 LYS 36 HZ3 LYS 36 -3.716 30.185 6.065 320 H ARG 37 H ARG 37 -1.471 25.582 -0.702 321 HA ARG 37 HA ARG 37 -3.747 23.802 -1.013 322 HB2 ARG 37 HB2 ARG 37 -1.297 24.539 -2.663 323 HB3 ARG 37 HB3 ARG 37 -2.315 23.198 -3.161 324 HG2 ARG 37 HG2 ARG 37 -4.256 24.931 -2.856 325 HG3 ARG 37 HG3 ARG 37 -2.965 26.115 -3.028 326 HD2 ARG 37 HD2 ARG 37 -3.707 23.914 -4.979 327 HD3 ARG 37 HD3 ARG 37 -3.781 25.650 -5.259 328 HE ARG 37 HE ARG 37 -1.100 24.991 -4.545 329 HH11 ARG 37 HH11 ARG 37 -2.806 26.010 -7.116 330 HH12 ARG 37 HH12 ARG 37 -1.912 25.169 -8.338 331 HH21 ARG 37 HH21 ARG 37 -0.167 23.221 -6.003 332 HH22 ARG 37 HH22 ARG 37 -0.377 23.549 -7.692 333 H ARG 38 H ARG 38 -0.279 23.483 -0.987 334 HA ARG 38 HA ARG 38 -0.176 20.664 -1.000 335 HB2 ARG 38 HB2 ARG 38 1.881 21.736 -1.511 336 HB3 ARG 38 HB3 ARG 38 1.709 22.900 -0.203 337 HG2 ARG 38 HG2 ARG 38 2.211 21.222 1.457 338 HG3 ARG 38 HG3 ARG 38 2.127 19.934 0.261 339 HD2 ARG 38 HD2 ARG 38 4.474 20.445 0.652 340 HD3 ARG 38 HD3 ARG 38 4.051 21.040 -0.952 341 HE ARG 38 HE ARG 38 4.268 22.803 1.458 342 HH11 ARG 38 HH11 ARG 38 2.941 23.214 -1.426 343 HH12 ARG 38 HH12 ARG 38 4.099 24.316 -2.092 344 HH21 ARG 38 HH21 ARG 38 6.424 23.730 0.463 345 HH22 ARG 38 HH22 ARG 38 6.122 24.616 -0.994 346 H ARG 39 H ARG 39 -0.644 23.009 1.576 347 HA ARG 39 HA ARG 39 0.032 21.253 3.739 348 HB2 ARG 39 HB2 ARG 39 -1.588 23.761 3.411 349 HB3 ARG 39 HB3 ARG 39 -1.919 22.799 4.842 350 HG2 ARG 39 HG2 ARG 39 0.255 23.056 5.679 351 HG3 ARG 39 HG3 ARG 39 0.934 23.393 4.091 352 HD2 ARG 39 HD2 ARG 39 0.191 25.616 4.102 353 HD3 ARG 39 HD3 ARG 39 -1.088 25.286 5.268 354 HE ARG 39 HE ARG 39 0.518 25.477 7.029 355 HH11 ARG 39 HH11 ARG 39 1.515 27.415 4.760 356 HH12 ARG 39 HH12 ARG 39 3.224 27.161 4.891 357 HH21 ARG 39 HH21 ARG 39 2.848 24.293 6.873 358 HH22 ARG 39 HH22 ARG 39 3.997 25.347 6.119 359 H ILE 40 H ILE 40 -2.950 21.960 1.982 360 HA ILE 40 HA ILE 40 -4.616 20.243 3.475 361 HB ILE 40 HB ILE 40 -4.602 20.722 0.451 362 HG12 ILE 40 HG12 ILE 40 -6.429 22.141 2.373 363 HG13 ILE 40 HG13 ILE 40 -4.772 22.699 2.254 364 HG21 ILE 40 HG21 ILE 40 -7.043 20.185 0.708 365 HG22 ILE 40 HG22 ILE 40 -6.765 19.839 2.410 366 HG23 ILE 40 HG23 ILE 40 -6.019 18.832 1.174 367 HD11 ILE 40 HD11 ILE 40 -5.393 22.511 -0.400 368 HD12 ILE 40 HD12 ILE 40 -5.623 23.981 0.529 369 HD13 ILE 40 HD13 ILE 40 -6.976 22.888 0.258 370 H SER 41 H SER 41 -3.262 19.464 0.245 371 HA SER 41 HA SER 41 -3.486 16.726 0.289 372 HB2 SER 41 HB2 SER 41 -2.023 18.516 -1.235 373 HB3 SER 41 HB3 SER 41 -0.728 17.596 -0.454 374 HG SER 41 HG SER 41 -2.343 16.814 -2.414 375 H ALA 42 H ALA 42 -1.374 18.600 2.347 376 HA ALA 42 HA ALA 42 0.140 16.219 3.195 377 HB1 ALA 42 HB1 ALA 42 0.165 18.944 4.560 378 HB2 ALA 42 HB2 ALA 42 1.036 18.687 3.052 379 HB3 ALA 42 HB3 ALA 42 1.465 17.758 4.482 380 H THR 43 H THR 43 -2.550 18.132 4.170 381 HA THR 43 HA THR 43 -2.629 16.843 6.833 382 HB THR 43 HB THR 43 -4.583 18.852 5.538 383 HG1 THR 43 HG1 THR 43 -2.722 19.927 5.724 384 HG21 THR 43 HG21 THR 43 -4.889 19.392 8.045 385 HG22 THR 43 HG22 THR 43 -3.967 17.935 8.400 386 HG23 THR 43 HG23 THR 43 -5.520 17.817 7.579 387 H THR 44 H THR 44 -4.029 16.828 3.702 388 HA THR 44 HA THR 44 -6.178 14.987 4.479 389 HB THR 44 HB THR 44 -6.627 15.220 1.906 390 HG1 THR 44 HG1 THR 44 -4.270 16.556 2.390 391 HG21 THR 44 HG21 THR 44 -7.563 16.843 3.749 392 HG22 THR 44 HG22 THR 44 -7.471 17.493 2.116 393 HG23 THR 44 HG23 THR 44 -6.231 17.903 3.297 394 H ASN 45 H ASN 45 -3.021 15.069 3.147 395 HA ASN 45 HA ASN 45 -1.502 13.325 2.834 396 HB2 ASN 45 HB2 ASN 45 -3.275 12.146 4.467 397 HB3 ASN 45 HB3 ASN 45 -3.656 11.221 3.022 398 HD21 ASN 45 HD21 ASN 45 -0.639 12.423 4.614 399 HD22 ASN 45 HD22 ASN 45 0.193 10.950 4.469 400 H LEU 46 H LEU 46 -1.932 14.467 0.586 401 HA LEU 46 HA LEU 46 -2.416 12.184 -1.303 402 HB2 LEU 46 HB2 LEU 46 -3.247 14.764 -2.474 403 HB3 LEU 46 HB3 LEU 46 -4.090 13.233 -2.494 404 HG LEU 46 HG LEU 46 -4.173 14.572 0.151 405 HD11 LEU 46 HD11 LEU 46 -5.887 15.742 -2.023 406 HD12 LEU 46 HD12 LEU 46 -4.298 16.407 -1.708 407 HD13 LEU 46 HD13 LEU 46 -5.503 16.411 -0.439 408 HD21 LEU 46 HD21 LEU 46 -5.501 12.542 -0.549 409 HD22 LEU 46 HD22 LEU 46 -6.348 13.556 -1.712 410 HD23 LEU 46 HD23 LEU 46 -6.511 13.870 0.013 411 H SER 47 H SER 47 -2.024 13.748 -3.648 412 HA SER 47 HA SER 47 0.875 13.852 -3.606 413 HB2 SER 47 HB2 SER 47 -0.817 13.265 -5.589 414 HB3 SER 47 HB3 SER 47 -0.739 15.013 -5.874 415 HG SER 47 HG SER 47 1.012 13.378 -6.693 416 H GLU 48 H GLU 48 -1.424 16.259 -4.683 417 HA GLU 48 HA GLU 48 -1.055 18.442 -3.160 418 HB2 GLU 48 HB2 GLU 48 1.460 17.887 -4.717 419 HB3 GLU 48 HB3 GLU 48 0.906 19.551 -4.687 420 HG2 GLU 48 HG2 GLU 48 1.462 19.822 -2.494 421 HG3 GLU 48 HG3 GLU 48 0.808 18.257 -2.034 422 H ARG 49 H ARG 49 0.067 18.090 -6.501 423 HA ARG 49 HA ARG 49 -1.543 20.121 -7.533 424 HB2 ARG 49 HB2 ARG 49 -0.833 17.460 -8.894 425 HB3 ARG 49 HB3 ARG 49 -1.276 18.949 -9.720 426 HG2 ARG 49 HG2 ARG 49 0.725 20.061 -8.731 427 HG3 ARG 49 HG3 ARG 49 1.181 18.534 -7.983 428 HD2 ARG 49 HD2 ARG 49 0.871 19.017 -10.970 429 HD3 ARG 49 HD3 ARG 49 2.400 18.847 -10.111 430 HE ARG 49 HE ARG 49 0.716 16.555 -9.632 431 HH11 ARG 49 HH11 ARG 49 3.397 17.825 -11.217 432 HH12 ARG 49 HH12 ARG 49 3.571 16.529 -12.352 433 HH21 ARG 49 HH21 ARG 49 0.578 14.993 -11.366 434 HH22 ARG 49 HH22 ARG 49 1.935 14.884 -12.439 435 H GLN 50 H GLN 50 -2.145 17.046 -6.263 436 HA GLN 50 HA GLN 50 -4.593 16.358 -7.498 437 HB2 GLN 50 HB2 GLN 50 -3.275 14.848 -5.976 438 HB3 GLN 50 HB3 GLN 50 -3.654 15.898 -4.618 439 HG2 GLN 50 HG2 GLN 50 -5.166 13.884 -4.805 440 HG3 GLN 50 HG3 GLN 50 -6.023 15.424 -4.829 441 HE21 GLN 50 HE21 GLN 50 -7.617 15.417 -6.385 442 HE22 GLN 50 HE22 GLN 50 -7.514 14.658 -7.900 443 H VAL 51 H VAL 51 -3.935 18.076 -4.427 444 HA VAL 51 HA VAL 51 -6.620 18.702 -3.807 445 HB VAL 51 HB VAL 51 -4.226 20.523 -3.467 446 HG11 VAL 51 HG11 VAL 51 -5.706 21.858 -2.441 447 HG12 VAL 51 HG12 VAL 51 -6.004 20.587 -1.260 448 HG13 VAL 51 HG13 VAL 51 -6.999 20.694 -2.711 449 HG21 VAL 51 HG21 VAL 51 -5.273 18.275 -1.737 450 HG22 VAL 51 HG22 VAL 51 -4.015 19.398 -1.248 451 HG23 VAL 51 HG23 VAL 51 -3.729 18.293 -2.590 452 H THR 52 H THR 52 -4.232 20.521 -5.555 453 HA THR 52 HA THR 52 -5.637 22.736 -6.395 454 HB THR 52 HB THR 52 -4.056 21.198 -8.447 455 HG1 THR 52 HG1 THR 52 -2.560 22.314 -6.459 456 HG21 THR 52 HG21 THR 52 -3.890 23.953 -7.152 457 HG22 THR 52 HG22 THR 52 -4.333 23.610 -8.818 458 HG23 THR 52 HG23 THR 52 -2.676 23.354 -8.281 459 H ILE 53 H ILE 53 -5.458 19.574 -7.922 460 HA ILE 53 HA ILE 53 -7.445 20.198 -9.915 461 HB ILE 53 HB ILE 53 -5.689 17.949 -9.101 462 HG12 ILE 53 HG12 ILE 53 -5.578 19.485 -11.133 463 HG13 ILE 53 HG13 ILE 53 -5.362 17.763 -11.427 464 HG21 ILE 53 HG21 ILE 53 -7.148 16.242 -10.337 465 HG22 ILE 53 HG22 ILE 53 -8.471 17.402 -10.256 466 HG23 ILE 53 HG23 ILE 53 -7.795 16.735 -8.775 467 HD11 ILE 53 HD11 ILE 53 -8.086 19.070 -11.621 468 HD12 ILE 53 HD12 ILE 53 -7.578 17.520 -12.271 469 HD13 ILE 53 HD13 ILE 53 -6.990 19.012 -12.993 470 H TRP 54 H TRP 54 -7.407 18.930 -6.716 471 HA TRP 54 HA TRP 54 -9.949 17.648 -6.743 472 HB2 TRP 54 HB2 TRP 54 -7.993 17.735 -4.933 473 HB3 TRP 54 HB3 TRP 54 -8.867 19.124 -4.312 474 HD1 TRP 54 HD1 TRP 54 -11.662 17.478 -5.396 475 HE1 TRP 54 HE1 TRP 54 -12.411 15.580 -3.894 476 HE3 TRP 54 HE3 TRP 54 -7.637 17.281 -2.496 477 HZ2 TRP 54 HZ2 TRP 54 -11.364 14.167 -1.520 478 HZ3 TRP 54 HZ3 TRP 54 -7.534 15.717 -0.579 479 HH2 TRP 54 HH2 TRP 54 -9.387 14.187 -0.110 480 H PHE 55 H PHE 55 -8.746 20.886 -6.108 481 HA PHE 55 HA PHE 55 -11.353 21.918 -5.410 482 HB2 PHE 55 HB2 PHE 55 -8.716 23.046 -6.282 483 HB3 PHE 55 HB3 PHE 55 -10.120 24.106 -6.301 484 HD1 PHE 55 HD1 PHE 55 -11.516 24.301 -4.196 485 HD2 PHE 55 HD2 PHE 55 -7.680 22.470 -4.232 486 HE1 PHE 55 HE1 PHE 55 -11.442 24.391 -1.761 487 HE2 PHE 55 HE2 PHE 55 -7.619 22.577 -1.796 488 HZ PHE 55 HZ PHE 55 -9.472 23.578 -0.550 489 H GLN 56 H GLN 56 -9.581 21.653 -8.443 490 HA GLN 56 HA GLN 56 -11.542 23.081 -9.997 491 HB2 GLN 56 HB2 GLN 56 -9.379 21.059 -10.689 492 HB3 GLN 56 HB3 GLN 56 -10.357 21.845 -11.915 493 HG2 GLN 56 HG2 GLN 56 -9.622 24.051 -10.650 494 HG3 GLN 56 HG3 GLN 56 -8.292 23.038 -10.090 495 HE21 GLN 56 HE21 GLN 56 -6.797 22.195 -11.708 496 HE22 GLN 56 HE22 GLN 56 -6.729 22.852 -13.271 497 H ASN 57 H ASN 57 -11.301 19.906 -8.715 498 HA ASN 57 HA ASN 57 -13.189 18.733 -10.624 499 HB2 ASN 57 HB2 ASN 57 -11.713 17.804 -8.137 500 HB3 ASN 57 HB3 ASN 57 -13.120 16.893 -8.675 501 HD21 ASN 57 HD21 ASN 57 -12.620 17.454 -11.563 502 HD22 ASN 57 HD22 ASN 57 -11.279 16.511 -11.997 503 H ARG 58 H ARG 58 -13.007 20.176 -7.535 504 HA ARG 58 HA ARG 58 -15.668 19.514 -6.703 505 HB2 ARG 58 HB2 ARG 58 -13.401 21.283 -5.864 506 HB3 ARG 58 HB3 ARG 58 -14.979 21.833 -5.378 507 HG2 ARG 58 HG2 ARG 58 -13.740 19.137 -4.753 508 HG3 ARG 58 HG3 ARG 58 -14.062 20.427 -3.601 509 HD2 ARG 58 HD2 ARG 58 -16.551 20.111 -4.657 510 HD3 ARG 58 HD3 ARG 58 -15.935 18.469 -4.815 511 HE ARG 58 HE ARG 58 -15.513 19.682 -2.173 512 HH11 ARG 58 HH11 ARG 58 -17.112 17.473 -4.249 513 HH12 ARG 58 HH12 ARG 58 -18.100 16.783 -3.010 514 HH21 ARG 58 HH21 ARG 58 -16.900 18.968 -0.549 515 HH22 ARG 58 HH22 ARG 58 -17.976 17.649 -0.863 516 H ARG 59 H ARG 59 -14.165 21.705 -8.855 517 HA ARG 59 HA ARG 59 -16.466 23.584 -8.874 518 HB2 ARG 59 HB2 ARG 59 -13.817 24.022 -9.303 519 HB3 ARG 59 HB3 ARG 59 -14.275 23.616 -10.953 520 HG2 ARG 59 HG2 ARG 59 -16.100 25.334 -10.811 521 HG3 ARG 59 HG3 ARG 59 -15.488 25.797 -9.227 522 HD2 ARG 59 HD2 ARG 59 -13.329 26.411 -10.191 523 HD3 ARG 59 HD3 ARG 59 -13.832 25.821 -11.773 524 HE ARG 59 HE ARG 59 -15.405 28.013 -10.524 525 HH11 ARG 59 HH11 ARG 59 -12.536 28.361 -11.785 526 HH12 ARG 59 HH12 ARG 59 -12.979 29.025 -13.322 527 HH21 ARG 59 HH21 ARG 59 -16.354 28.156 -12.948 528 HH22 ARG 59 HH22 ARG 59 -15.199 28.906 -13.998 529 H VAL 60 H VAL 60 -15.204 20.832 -10.388 530 HA VAL 60 HA VAL 60 -16.870 21.104 -12.790 531 HB VAL 60 HB VAL 60 -14.471 19.763 -12.053 532 HG11 VAL 60 HG11 VAL 60 -14.870 17.409 -12.483 533 HG12 VAL 60 HG12 VAL 60 -16.571 17.713 -12.824 534 HG13 VAL 60 HG13 VAL 60 -15.952 17.910 -11.190 535 HG21 VAL 60 HG21 VAL 60 -16.204 19.496 -14.529 536 HG22 VAL 60 HG22 VAL 60 -14.519 18.991 -14.431 537 HG23 VAL 60 HG23 VAL 60 -14.940 20.692 -14.262 538 H LYS 61 H LYS 61 -17.125 20.059 -9.631 539 HA LYS 61 HA LYS 61 -19.138 17.978 -10.162 540 HB2 LYS 61 HB2 LYS 61 -17.387 17.833 -8.286 541 HB3 LYS 61 HB3 LYS 61 -18.228 19.160 -7.492 542 HG2 LYS 61 HG2 LYS 61 -20.355 17.683 -7.768 543 HG3 LYS 61 HG3 LYS 61 -19.222 16.365 -8.038 544 HD2 LYS 61 HD2 LYS 61 -18.162 16.768 -5.879 545 HD3 LYS 61 HD3 LYS 61 -19.150 18.201 -5.621 546 HE2 LYS 61 HE2 LYS 61 -20.177 16.400 -4.384 547 HE3 LYS 61 HE3 LYS 61 -21.191 16.710 -5.786 548 HZ1 LYS 61 HZ1 LYS 61 -20.978 14.576 -6.252 549 HZ2 LYS 61 HZ2 LYS 61 -19.774 14.353 -5.076 550 HZ3 LYS 61 HZ3 LYS 61 -19.350 14.872 -6.637 551 H GLU 62 H GLU 62 -18.870 21.285 -8.973 552 HA GLU 62 HA GLU 62 -21.679 21.398 -8.188 553 HB2 GLU 62 HB2 GLU 62 -21.190 23.679 -7.621 554 HB3 GLU 62 HB3 GLU 62 -19.661 22.855 -7.349 555 HG2 GLU 62 HG2 GLU 62 -18.935 23.504 -9.643 556 HG3 GLU 62 HG3 GLU 62 -20.424 24.413 -9.831 557 H LYS 63 H LYS 63 -19.720 22.389 -10.929 558 HA LYS 63 HA LYS 63 -21.573 23.889 -12.373 559 HB2 LYS 63 HB2 LYS 63 -19.527 21.833 -13.314 560 HB3 LYS 63 HB3 LYS 63 -20.413 22.869 -14.430 561 HG2 LYS 63 HG2 LYS 63 -19.139 24.200 -12.099 562 HG3 LYS 63 HG3 LYS 63 -18.052 23.594 -13.350 563 HD2 LYS 63 HD2 LYS 63 -19.467 24.795 -15.059 564 HD3 LYS 63 HD3 LYS 63 -20.378 25.509 -13.734 565 HE2 LYS 63 HE2 LYS 63 -17.373 25.766 -14.073 566 HE3 LYS 63 HE3 LYS 63 -18.533 26.989 -14.576 567 HZ1 LYS 63 HZ1 LYS 63 -17.660 27.506 -12.416 568 HZ2 LYS 63 HZ2 LYS 63 -18.131 25.990 -11.815 569 HZ3 LYS 63 HZ3 LYS 63 -19.308 27.120 -12.281 570 H LYS 64 H LYS 64 -21.875 20.717 -11.352 571 HA LYS 64 HA LYS 64 -23.441 19.687 -13.557 572 HB2 LYS 64 HB2 LYS 64 -23.213 18.935 -10.597 573 HB3 LYS 64 HB3 LYS 64 -24.221 18.037 -11.727 574 HG2 LYS 64 HG2 LYS 64 -21.267 18.546 -12.186 575 HG3 LYS 64 HG3 LYS 64 -21.884 17.092 -11.408 576 HD2 LYS 64 HD2 LYS 64 -22.201 16.207 -13.465 577 HD3 LYS 64 HD3 LYS 64 -23.449 17.417 -13.735 578 HE2 LYS 64 HE2 LYS 64 -21.935 17.762 -15.523 579 HE3 LYS 64 HE3 LYS 64 -21.496 19.006 -14.359 580 HZ1 LYS 64 HZ1 LYS 64 -20.138 16.519 -13.929 581 HZ2 LYS 64 HZ2 LYS 64 -19.515 18.096 -14.030 582 HZ3 LYS 64 HZ3 LYS 64 -19.806 17.204 -15.446 583 H VAL 65 H VAL 65 -23.864 22.203 -11.631 584 HA VAL 65 HA VAL 65 -26.594 21.916 -10.755 585 HB VAL 65 HB VAL 65 -24.961 23.598 -9.848 586 HG11 VAL 65 HG11 VAL 65 -24.167 25.412 -11.155 587 HG12 VAL 65 HG12 VAL 65 -25.380 25.153 -12.405 588 HG13 VAL 65 HG13 VAL 65 -24.036 24.028 -12.237 589 HG21 VAL 65 HG21 VAL 65 -27.436 23.970 -9.728 590 HG22 VAL 65 HG22 VAL 65 -27.321 24.920 -11.204 591 HG23 VAL 65 HG23 VAL 65 -26.507 25.464 -9.743 592 H ILE 66 H ILE 66 -25.059 23.159 -13.671 593 HA ILE 66 HA ILE 66 -27.201 24.464 -14.892 594 HB ILE 66 HB ILE 66 -24.923 22.740 -15.929 595 HG12 ILE 66 HG12 ILE 66 -25.557 25.603 -16.633 596 HG13 ILE 66 HG13 ILE 66 -24.829 25.219 -15.077 597 HG21 ILE 66 HG21 ILE 66 -27.200 24.016 -17.532 598 HG22 ILE 66 HG22 ILE 66 -26.694 22.328 -17.566 599 HG23 ILE 66 HG23 ILE 66 -25.661 23.573 -18.261 600 HD11 ILE 66 HD11 ILE 66 -22.971 25.596 -16.503 601 HD12 ILE 66 HD12 ILE 66 -23.711 24.726 -17.841 602 HD13 ILE 66 HD13 ILE 66 -23.106 23.842 -16.443 603 H ASN 67 H ASN 67 -27.024 21.227 -13.946 604 HA ASN 67 HA ASN 67 -29.486 20.619 -15.535 605 HB2 ASN 67 HB2 ASN 67 -27.072 18.828 -14.983 606 HB3 ASN 67 HB3 ASN 67 -28.603 18.211 -15.595 607 HD21 ASN 67 HD21 ASN 67 -26.168 18.047 -17.112 608 HD22 ASN 67 HD22 ASN 67 -26.332 19.036 -18.482 609 H LYS 68 H LYS 68 -31.107 19.710 -14.420 610 HA LYS 68 HA LYS 68 -32.352 19.039 -12.559 611 HB2 LYS 68 HB2 LYS 68 -30.707 17.069 -12.906 612 HB3 LYS 68 HB3 LYS 68 -29.745 17.768 -11.609 613 HG2 LYS 68 HG2 LYS 68 -31.092 16.390 -10.336 614 HG3 LYS 68 HG3 LYS 68 -32.136 17.806 -10.388 615 HD2 LYS 68 HD2 LYS 68 -33.440 16.887 -12.187 616 HD3 LYS 68 HD3 LYS 68 -32.276 15.595 -12.456 617 HE2 LYS 68 HE2 LYS 68 -34.357 14.924 -11.147 618 HE3 LYS 68 HE3 LYS 68 -32.826 14.542 -10.369 619 HZ1 LYS 68 HZ1 LYS 68 -34.912 16.209 -9.458 620 HZ2 LYS 68 HZ2 LYS 68 -33.477 17.108 -9.582 621 HZ3 LYS 68 HZ3 LYS 68 -33.516 15.697 -8.638 622 H LEU 69 H LEU 69 -32.741 20.954 -11.541 623 HA LEU 69 HA LEU 69 -31.307 21.358 -9.014 624 HB2 LEU 69 HB2 LEU 69 -30.765 23.749 -9.525 625 HB3 LEU 69 HB3 LEU 69 -29.945 22.677 -10.655 626 HG LEU 69 HG LEU 69 -32.637 23.938 -11.251 627 HD11 LEU 69 HD11 LEU 69 -30.612 25.546 -10.871 628 HD12 LEU 69 HD12 LEU 69 -31.549 25.721 -12.352 629 HD13 LEU 69 HD13 LEU 69 -30.003 24.879 -12.383 630 HD21 LEU 69 HD21 LEU 69 -31.497 23.457 -13.632 631 HD22 LEU 69 HD22 LEU 69 -32.409 22.215 -12.782 632 HD23 LEU 69 HD23 LEU 69 -30.651 22.231 -12.693 633 H LYS 70 H LYS 70 -32.296 23.287 -7.822 634 HA LYS 70 HA LYS 70 -35.004 22.887 -7.373 635 HB2 LYS 70 HB2 LYS 70 -33.411 24.360 -6.019 636 HB3 LYS 70 HB3 LYS 70 -33.625 25.614 -7.235 637 HG2 LYS 70 HG2 LYS 70 -35.854 25.983 -6.657 638 HG3 LYS 70 HG3 LYS 70 -36.062 24.362 -6.009 639 HD2 LYS 70 HD2 LYS 70 -34.645 24.928 -4.080 640 HD3 LYS 70 HD3 LYS 70 -34.360 26.535 -4.741 641 HE2 LYS 70 HE2 LYS 70 -37.210 25.728 -4.471 642 HE3 LYS 70 HE3 LYS 70 -36.342 25.998 -2.965 643 HZ1 LYS 70 HZ1 LYS 70 -35.759 28.032 -4.852 644 HZ2 LYS 70 HZ2 LYS 70 -36.402 28.168 -3.286 645 HZ3 LYS 70 HZ3 LYS 70 -37.435 27.905 -4.608 646 H THR 71 H THR 71 -36.183 22.636 -9.267 647 HA THR 71 HA THR 71 -37.205 25.131 -10.387 648 HB THR 71 HB THR 71 -35.620 23.164 -12.155 649 HG1 THR 71 HG1 THR 71 -34.146 24.649 -11.887 650 HG21 THR 71 HG21 THR 71 -37.787 24.368 -13.133 651 HG22 THR 71 HG22 THR 71 -36.276 24.563 -14.018 652 HG23 THR 71 HG23 THR 71 -36.848 25.846 -12.956 653 H THR 72 H THR 72 -36.970 21.664 -11.218 654 HA THR 72 HA THR 72 -39.504 21.392 -12.388 655 HB THR 72 HB THR 72 -39.302 18.940 -11.330 656 HG1 THR 72 HG1 THR 72 -37.562 20.380 -9.983 657 HG21 THR 72 HG21 THR 72 -36.977 20.144 -12.949 658 HG22 THR 72 HG22 THR 72 -38.452 19.496 -13.661 659 HG23 THR 72 HG23 THR 72 -37.335 18.424 -12.824 660 H SER 73 H SER 73 -41.500 20.577 -11.550 661 HA SER 73 HA SER 73 -43.316 20.832 -10.087 662 HB2 SER 73 HB2 SER 73 -41.411 20.123 -7.826 663 HB3 SER 73 HB3 SER 73 -43.038 19.492 -8.147 664 HG SER 73 HG SER 73 -42.248 18.372 -9.891
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