NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
640857 | 6dl4 | 30471 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 61.808 -19.366 28.136 2 H2 ARG 1 HT2 ARG 1 60.774 -18.020 28.155 3 H3 ARG 1 HT3 ARG 1 61.858 -18.249 26.867 4 HA ARG 1 HA ARG 1 60.651 -20.403 26.404 5 HB2 ARG 1 HB2 ARG 1 58.581 -19.001 28.127 6 HB3 ARG 1 HB1 ARG 1 58.353 -20.516 27.261 7 HG2 ARG 1 HG2 ARG 1 60.491 -20.155 29.386 8 HG3 ARG 1 HG1 ARG 1 58.872 -20.723 29.769 9 HD2 ARG 1 HD2 ARG 1 60.905 -22.067 27.962 10 HD3 ARG 1 HD1 ARG 1 60.279 -22.667 29.489 11 HE ARG 1 HE ARG 1 58.075 -22.311 27.861 12 HH11 ARG 1 HH11 ARG 1 59.056 -24.957 29.025 13 HH12 ARG 1 HH12 ARG 1 59.235 -25.907 27.589 14 HH21 ARG 1 HH21 ARG 1 59.157 -23.147 25.465 15 HH22 ARG 1 HH22 ARG 1 59.324 -24.867 25.552 16 H MET 2 HN MET 2 60.091 -16.984 26.689 17 HA MET 2 HA MET 2 58.620 -16.945 24.123 18 HB2 MET 2 HB2 MET 2 58.942 -14.801 26.243 19 HB3 MET 2 HB1 MET 2 58.118 -14.583 24.699 20 HG2 MET 2 HG2 MET 2 56.580 -16.429 25.252 21 HG3 MET 2 HG1 MET 2 57.366 -16.622 26.815 22 HE1 MET 2 HE1 MET 2 57.672 -15.014 28.445 23 HE2 MET 2 HE2 MET 2 56.429 -13.893 28.981 24 HE3 MET 2 HE3 MET 2 57.702 -13.336 27.898 25 H ALA 3 HN ALA 3 59.983 -16.890 22.478 26 HA ALA 3 HA ALA 3 62.620 -15.897 22.571 27 HB1 ALA 3 HB1 ALA 3 61.702 -17.559 20.947 28 HB2 ALA 3 HB2 ALA 3 62.625 -16.266 20.189 29 HB3 ALA 3 HB3 ALA 3 60.858 -16.243 20.141 30 H HIS 4 HN HIS 4 59.556 -14.425 21.729 31 HA HIS 4 HA HIS 4 60.754 -11.964 20.775 32 HB2 HIS 4 HB2 HIS 4 58.314 -11.258 20.727 33 HB3 HIS 4 HB1 HIS 4 58.734 -12.635 19.712 34 HD1 HIS 4 HD1 HIS 4 56.770 -11.684 22.743 35 HD2 HIS 4 HD2 HIS 4 57.733 -15.174 20.673 36 HE1 HIS 4 HE1 HIS 4 55.210 -13.483 23.602 37 H GLU 5 HN GLU 5 61.337 -10.313 22.048 38 HA GLU 5 HA GLU 5 59.841 -9.657 24.445 39 HB2 GLU 5 HB2 GLU 5 61.418 -11.422 25.227 40 HB3 GLU 5 HB1 GLU 5 62.760 -10.420 24.673 41 HG2 GLU 5 HG2 GLU 5 62.206 -8.665 26.212 42 HG3 GLU 5 HG1 GLU 5 60.679 -9.438 26.649 43 H GLY 6 HN GLY 6 62.066 -9.001 21.957 44 HA2 GLY 6 HA2 GLY 6 61.866 -6.132 22.431 45 HA3 GLY 6 HA1 GLY 6 63.495 -6.793 22.454 46 H ALA 7 HN ALA 7 62.478 -4.884 20.550 47 HA ALA 7 HA ALA 7 61.704 -6.043 18.097 48 HB1 ALA 7 HB1 ALA 7 63.323 -3.524 18.479 49 HB2 ALA 7 HB2 ALA 7 61.574 -3.617 18.704 50 HB3 ALA 7 HB3 ALA 7 62.275 -3.927 17.118 51 H LEU 8 HN LEU 8 62.822 -6.806 16.365 52 HA LEU 8 HA LEU 8 65.568 -7.634 16.831 53 HB2 LEU 8 HB2 LEU 8 63.940 -9.211 15.858 54 HB3 LEU 8 HB1 LEU 8 63.680 -8.112 14.505 55 HG LEU 8 HG LEU 8 66.006 -8.361 13.806 56 HD11 LEU 8 HD11 LEU 8 66.199 -9.951 16.357 57 HD12 LEU 8 HD12 LEU 8 67.278 -8.701 15.738 58 HD13 LEU 8 HD13 LEU 8 67.283 -10.298 15.006 59 HD21 LEU 8 HD21 LEU 8 64.563 -10.978 14.339 60 HD22 LEU 8 HD22 LEU 8 65.918 -10.801 13.223 61 HD23 LEU 8 HD23 LEU 8 64.400 -9.955 12.911 62 H THR 9 HN THR 9 67.303 -6.521 16.114 63 HA THR 9 HA THR 9 66.989 -4.078 14.665 64 HB THR 9 HB THR 9 69.568 -5.613 15.091 65 HG1 THR 9 HG1 THR 9 68.768 -5.333 17.095 66 HG21 THR 9 HG21 THR 9 68.957 -2.658 14.679 67 HG22 THR 9 HG22 THR 9 69.708 -3.728 13.497 68 HG23 THR 9 HG23 THR 9 70.560 -3.326 14.992 69 H GLY 10 HN GLY 10 67.142 -3.660 12.540 70 HA2 GLY 10 HA2 GLY 10 66.850 -5.711 10.631 71 HA3 GLY 10 HA1 GLY 10 67.243 -4.032 10.271 72 H VAL 11 HN VAL 11 68.281 -6.322 8.911 73 HA VAL 11 HA VAL 11 71.136 -6.335 9.714 74 HB VAL 11 HB VAL 11 69.618 -8.179 7.852 75 HG11 VAL 11 HG11 VAL 11 71.729 -9.555 8.121 76 HG12 VAL 11 HG12 VAL 11 72.472 -8.148 8.887 77 HG13 VAL 11 HG13 VAL 11 71.949 -8.059 7.204 78 HG21 VAL 11 HG21 VAL 11 69.024 -8.329 10.296 79 HG22 VAL 11 HG22 VAL 11 70.725 -8.672 10.633 80 HG23 VAL 11 HG23 VAL 11 69.771 -9.794 9.662 81 H THR 12 HN THR 12 68.902 -5.787 7.044 82 HA THR 12 HA THR 12 70.723 -5.321 4.984 83 HB THR 12 HB THR 12 68.867 -4.078 3.908 84 HG1 THR 12 HG1 THR 12 68.087 -3.070 5.831 85 HG21 THR 12 HG21 THR 12 68.195 -6.633 5.382 86 HG22 THR 12 HG22 THR 12 68.792 -6.470 3.733 87 HG23 THR 12 HG23 THR 12 67.160 -5.947 4.136 88 H THR 13 HN THR 13 70.952 -3.735 7.803 89 HA THR 13 HA THR 13 70.907 -1.017 7.322 90 HB THR 13 HB THR 13 72.710 -0.805 9.005 91 HG1 THR 13 HG1 THR 13 73.050 -3.197 9.826 92 HG21 THR 13 HG21 THR 13 71.471 -1.861 10.821 93 HG22 THR 13 HG22 THR 13 70.666 -2.934 9.674 94 HG23 THR 13 HG23 THR 13 70.339 -1.202 9.639 95 H ASP 14 HN ASP 14 73.410 -3.350 6.310 96 HA ASP 14 HA ASP 14 74.272 -1.695 4.165 97 HB2 ASP 14 HB2 ASP 14 76.565 -1.220 5.015 98 HB3 ASP 14 HB1 ASP 14 75.306 -0.359 5.902 99 H GLN 15 HN GLN 15 75.608 -4.056 6.489 100 HA GLN 15 HA GLN 15 76.389 -5.798 4.208 101 HB2 GLN 15 HB2 GLN 15 77.679 -5.510 6.931 102 HB3 GLN 15 HB1 GLN 15 78.096 -6.746 5.750 103 HG2 GLN 15 HG2 GLN 15 78.258 -3.767 5.217 104 HG3 GLN 15 HG1 GLN 15 79.624 -4.783 5.675 105 HE21 GLN 15 HE21 GLN 15 78.370 -3.394 2.970 106 HE22 GLN 15 HE22 GLN 15 78.814 -4.560 1.818 107 H LYS 16 HN LYS 16 76.632 -8.160 5.062 108 HA LYS 16 HA LYS 16 74.177 -8.794 6.609 109 HB2 LYS 16 HB2 LYS 16 75.587 -10.351 4.428 110 HB3 LYS 16 HB1 LYS 16 74.255 -10.980 5.394 111 HG2 LYS 16 HG2 LYS 16 72.855 -9.038 4.671 112 HG3 LYS 16 HG1 LYS 16 74.175 -8.512 3.629 113 HD2 LYS 16 HD2 LYS 16 74.022 -10.572 2.319 114 HD3 LYS 16 HD1 LYS 16 72.773 -11.196 3.406 115 HE2 LYS 16 HE2 LYS 16 71.939 -10.120 1.229 116 HE3 LYS 16 HE1 LYS 16 71.202 -9.532 2.723 117 HZ1 LYS 16 HZ1 LYS 16 73.617 -8.199 1.725 118 HZ2 LYS 16 HZ2 LYS 16 72.315 -7.556 2.607 119 HZ3 LYS 16 HZ3 LYS 16 72.152 -7.875 0.947 120 H GLU 17 HN GLU 17 77.565 -9.613 6.070 121 HA GLU 17 HA GLU 17 77.614 -11.143 8.614 122 HB2 GLU 17 HB2 GLU 17 79.294 -11.388 6.119 123 HB3 GLU 17 HB1 GLU 17 79.546 -12.312 7.602 124 HG2 GLU 17 HG2 GLU 17 76.904 -12.271 6.129 125 HG3 GLU 17 HG1 GLU 17 78.150 -13.467 5.799 126 H LYS 18 HN LYS 18 78.606 -10.161 10.215 127 HA LYS 18 HA LYS 18 80.449 -7.960 9.768 128 HB2 LYS 18 HB2 LYS 18 78.635 -8.230 11.659 129 HB3 LYS 18 HB1 LYS 18 79.900 -9.123 12.494 130 HG2 LYS 18 HG2 LYS 18 81.412 -7.200 12.303 131 HG3 LYS 18 HG1 LYS 18 80.190 -6.313 11.390 132 HD2 LYS 18 HD2 LYS 18 78.670 -6.368 13.296 133 HD3 LYS 18 HD1 LYS 18 79.829 -7.325 14.220 134 HE2 LYS 18 HE2 LYS 18 81.473 -5.465 14.011 135 HE3 LYS 18 HE1 LYS 18 80.240 -4.508 13.189 136 HZ1 LYS 18 HZ1 LYS 18 78.850 -5.203 15.285 137 HZ2 LYS 18 HZ2 LYS 18 79.882 -3.854 15.331 138 HZ3 LYS 18 HZ3 LYS 18 80.384 -5.332 15.996 139 H GLN 19 HN GLN 19 82.466 -8.365 9.259 140 HA GLN 19 HA GLN 19 83.844 -10.702 10.437 141 HB2 GLN 19 HB2 GLN 19 83.826 -10.657 7.996 142 HB3 GLN 19 HB1 GLN 19 84.512 -9.031 7.993 143 HG2 GLN 19 HG2 GLN 19 86.576 -9.830 8.958 144 HG3 GLN 19 HG1 GLN 19 85.880 -11.426 9.252 145 HE21 GLN 19 HE21 GLN 19 88.250 -11.085 7.628 146 HE22 GLN 19 HE22 GLN 19 87.852 -11.499 6.030 147 H LYS 20 HN LYS 20 86.136 -10.367 11.014 148 HA LYS 20 HA LYS 20 86.362 -8.008 12.665 149 HB2 LYS 20 HB2 LYS 20 88.408 -9.085 13.534 150 HB3 LYS 20 HB1 LYS 20 87.035 -10.197 13.555 151 HG2 LYS 20 HG2 LYS 20 87.839 -10.989 11.253 152 HG3 LYS 20 HG1 LYS 20 89.327 -10.114 11.581 153 HD2 LYS 20 HD2 LYS 20 89.495 -11.442 13.738 154 HD3 LYS 20 HD1 LYS 20 88.160 -12.427 13.137 155 HE2 LYS 20 HE2 LYS 20 89.539 -12.805 11.029 156 HE3 LYS 20 HE1 LYS 20 90.898 -12.085 11.896 157 HZ1 LYS 20 HZ1 LYS 20 90.245 -14.685 11.993 158 HZ2 LYS 20 HZ2 LYS 20 89.451 -14.092 13.373 159 HZ3 LYS 20 HZ3 LYS 20 91.126 -13.871 13.196 160 HA PRO 21 HA PRO 21 88.690 -5.530 9.788 161 HB2 PRO 21 HB2 PRO 21 90.453 -4.431 11.814 162 HB3 PRO 21 HB1 PRO 21 89.077 -3.654 11.030 163 HG2 PRO 21 HG2 PRO 21 89.263 -4.762 13.697 164 HG3 PRO 21 HG1 PRO 21 87.953 -3.813 12.981 165 HD2 PRO 21 HD2 PRO 21 87.863 -6.560 13.606 166 HD3 PRO 21 HD1 PRO 21 86.695 -5.682 12.603 167 H ASP 22 HN ASP 22 90.869 -5.324 8.872 168 HA ASP 22 HA ASP 22 93.215 -6.448 9.800 169 HB2 ASP 22 HB2 ASP 22 93.273 -8.592 8.379 170 HB3 ASP 22 HB1 ASP 22 92.343 -8.672 9.871 171 H ILE 23 HN ILE 23 94.370 -4.965 8.620 172 HA ILE 23 HA ILE 23 93.614 -4.350 5.910 173 HB ILE 23 HB ILE 23 95.571 -2.844 5.925 174 HG12 ILE 23 HG12 ILE 23 95.956 -3.668 8.810 175 HG13 ILE 23 HG11 ILE 23 96.868 -4.432 7.512 176 HG21 ILE 23 HG21 ILE 23 93.554 -1.858 6.695 177 HG22 ILE 23 HG22 ILE 23 94.737 -1.460 7.938 178 HG23 ILE 23 HG23 ILE 23 93.584 -2.766 8.205 179 HD11 ILE 23 HD11 ILE 23 98.080 -2.509 8.549 180 HD12 ILE 23 HD12 ILE 23 96.791 -1.444 7.985 181 HD13 ILE 23 HD13 ILE 23 97.795 -2.304 6.818 182 H VAL 24 HN VAL 24 94.935 -4.412 4.075 183 HA VAL 24 HA VAL 24 96.823 -6.694 3.922 184 HB VAL 24 HB VAL 24 94.871 -5.572 1.896 185 HG11 VAL 24 HG11 VAL 24 96.893 -6.075 0.672 186 HG12 VAL 24 HG12 VAL 24 95.792 -7.430 0.430 187 HG13 VAL 24 HG13 VAL 24 97.125 -7.570 1.577 188 HG21 VAL 24 HG21 VAL 24 93.968 -7.166 3.569 189 HG22 VAL 24 HG22 VAL 24 95.216 -8.324 3.125 190 HG23 VAL 24 HG23 VAL 24 93.980 -7.863 1.951 191 H LEU 25 HN LEU 25 98.839 -6.290 3.178 192 HA LEU 25 HA LEU 25 99.405 -3.946 1.572 193 HB2 LEU 25 HB2 LEU 25 101.266 -3.258 3.262 194 HB3 LEU 25 HB1 LEU 25 99.621 -2.756 3.564 195 HG LEU 25 HG LEU 25 100.894 -3.691 5.553 196 HD11 LEU 25 HD11 LEU 25 98.236 -3.740 5.044 197 HD12 LEU 25 HD12 LEU 25 98.959 -4.325 6.523 198 HD13 LEU 25 HD13 LEU 25 98.525 -5.466 5.258 199 HD21 LEU 25 HD21 LEU 25 100.377 -6.362 4.226 200 HD22 LEU 25 HD22 LEU 25 101.202 -6.062 5.750 201 HD23 LEU 25 HD23 LEU 25 101.951 -5.557 4.237 202 H TYR 26 HN TYR 26 102.242 -3.984 2.118 203 HA TYR 26 HA TYR 26 102.984 -6.606 0.928 204 HB2 TYR 26 HB2 TYR 26 103.639 -3.791 0.249 205 HB3 TYR 26 HB1 TYR 26 105.048 -4.849 0.287 206 HD1 TYR 26 HD1 TYR 26 105.556 -5.063 -2.023 207 HD2 TYR 26 HD2 TYR 26 101.540 -5.773 -0.662 208 HE1 TYR 26 HE1 TYR 26 104.951 -5.957 -4.258 209 HE2 TYR 26 HE2 TYR 26 100.950 -6.680 -2.891 210 HH TYR 26 HH TYR 26 102.879 -7.786 -5.015 211 HA PRO 27 HA PRO 27 105.174 -6.366 4.962 212 HB2 PRO 27 HB2 PRO 27 105.238 -9.261 5.039 213 HB3 PRO 27 HB1 PRO 27 104.334 -8.164 6.088 214 HG2 PRO 27 HG2 PRO 27 103.262 -9.877 4.122 215 HG3 PRO 27 HG1 PRO 27 102.404 -8.597 4.998 216 HD2 PRO 27 HD2 PRO 27 103.349 -8.612 2.202 217 HD3 PRO 27 HD1 PRO 27 102.166 -7.540 2.986 218 H GLU 28 HN GLU 28 105.698 -8.045 1.985 219 HA GLU 28 HA GLU 28 108.465 -8.697 2.531 220 HB2 GLU 28 HB2 GLU 28 106.938 -8.809 -0.066 221 HB3 GLU 28 HB1 GLU 28 108.531 -9.501 0.237 222 HG2 GLU 28 HG2 GLU 28 106.156 -10.243 1.944 223 HG3 GLU 28 HG1 GLU 28 106.504 -11.084 0.433 224 HA PRO 29 HA PRO 29 109.535 -4.487 1.251 225 HB2 PRO 29 HB2 PRO 29 112.343 -5.240 1.115 226 HB3 PRO 29 HB1 PRO 29 111.550 -4.179 2.284 227 HG2 PRO 29 HG2 PRO 29 112.517 -6.817 2.713 228 HG3 PRO 29 HG1 PRO 29 111.625 -5.796 3.851 229 HD2 PRO 29 HD2 PRO 29 110.688 -8.154 2.453 230 HD3 PRO 29 HD1 PRO 29 109.820 -7.174 3.652 231 H VAL 30 HN VAL 30 110.145 -3.534 -0.748 232 HA VAL 30 HA VAL 30 110.979 -5.409 -2.894 233 HB VAL 30 HB VAL 30 108.716 -3.414 -3.051 234 HG11 VAL 30 HG11 VAL 30 108.639 -4.433 -5.471 235 HG12 VAL 30 HG12 VAL 30 110.329 -4.823 -5.179 236 HG13 VAL 30 HG13 VAL 30 109.790 -3.146 -5.125 237 HG21 VAL 30 HG21 VAL 30 108.938 -6.430 -3.246 238 HG22 VAL 30 HG22 VAL 30 107.546 -5.551 -3.879 239 HG23 VAL 30 HG23 VAL 30 107.924 -5.480 -2.157 240 H ARG 31 HN ARG 31 112.406 -4.664 -4.342 241 HA ARG 31 HA ARG 31 113.307 -1.850 -4.123 242 HB2 ARG 31 HB2 ARG 31 114.881 -3.403 -3.019 243 HB3 ARG 31 HB1 ARG 31 115.015 -4.325 -4.514 244 HG2 ARG 31 HG2 ARG 31 115.938 -2.341 -5.664 245 HG3 ARG 31 HG1 ARG 31 115.781 -1.404 -4.183 246 HD2 ARG 31 HD2 ARG 31 117.251 -3.116 -3.055 247 HD3 ARG 31 HD1 ARG 31 117.543 -3.809 -4.640 248 HE ARG 31 HE ARG 31 118.100 -0.993 -4.588 249 HH11 ARG 31 HH11 ARG 31 119.360 -3.210 -2.504 250 HH12 ARG 31 HH12 ARG 31 120.976 -3.223 -3.131 251 HH21 ARG 31 HH21 ARG 31 120.201 -1.328 -5.917 252 HH22 ARG 31 HH22 ARG 31 121.456 -2.131 -5.037 253 H VAL 32 HN VAL 32 113.537 -0.766 -6.015 254 HA VAL 32 HA VAL 32 113.654 -2.311 -8.531 255 HB VAL 32 HB VAL 32 111.280 -1.425 -7.908 256 HG11 VAL 32 HG11 VAL 32 110.829 0.892 -8.265 257 HG12 VAL 32 HG12 VAL 32 112.415 1.178 -8.982 258 HG13 VAL 32 HG13 VAL 32 112.270 0.856 -7.258 259 HG21 VAL 32 HG21 VAL 32 112.770 -1.114 -10.500 260 HG22 VAL 32 HG22 VAL 32 111.112 -0.523 -10.405 261 HG23 VAL 32 HG23 VAL 32 111.458 -2.219 -10.088 262 H LEU 33 HN LEU 33 114.694 -1.214 -10.250 263 HA LEU 33 HA LEU 33 116.572 0.861 -9.360 264 HB2 LEU 33 HB2 LEU 33 116.396 -0.932 -11.787 265 HB3 LEU 33 HB1 LEU 33 117.505 0.436 -11.728 266 HG LEU 33 HG LEU 33 118.546 -0.471 -9.693 267 HD11 LEU 33 HD11 LEU 33 117.930 -2.887 -9.098 268 HD12 LEU 33 HD12 LEU 33 116.465 -2.636 -10.050 269 HD13 LEU 33 HD13 LEU 33 116.768 -1.652 -8.622 270 HD21 LEU 33 HD21 LEU 33 119.563 -2.506 -10.716 271 HD22 LEU 33 HD22 LEU 33 119.500 -1.141 -11.830 272 HD23 LEU 33 HD23 LEU 33 118.331 -2.451 -11.976 273 H GLU 34 HN GLU 34 116.559 2.941 -10.122 274 HA GLU 34 HA GLU 34 114.255 4.191 -10.956 275 HB2 GLU 34 HB2 GLU 34 116.349 5.303 -10.185 276 HB3 GLU 34 HB1 GLU 34 117.023 5.034 -11.787 277 HG2 GLU 34 HG2 GLU 34 115.083 6.293 -12.761 278 HG3 GLU 34 HG1 GLU 34 114.549 6.649 -11.119 279 H GLY 35 HN GLY 35 113.252 4.609 -12.826 280 HA2 GLY 35 HA2 GLY 35 113.183 4.892 -15.227 281 HA3 GLY 35 HA1 GLY 35 114.486 3.711 -15.377 282 H GLU 36 HN GLU 36 112.560 2.620 -13.000 283 HA GLU 36 HA GLU 36 110.853 1.013 -14.812 284 HB2 GLU 36 HB2 GLU 36 112.271 0.234 -12.267 285 HB3 GLU 36 HB1 GLU 36 110.992 -0.740 -12.991 286 HG2 GLU 36 HG2 GLU 36 113.516 0.119 -14.414 287 HG3 GLU 36 HG1 GLU 36 113.293 -1.463 -13.669 288 H THR 37 HN THR 37 108.790 0.843 -14.333 289 HA THR 37 HA THR 37 107.672 2.668 -12.354 290 HB THR 37 HB THR 37 105.608 2.303 -13.402 291 HG1 THR 37 HG1 THR 37 106.730 -0.166 -14.201 292 HG21 THR 37 HG21 THR 37 107.200 3.345 -14.955 293 HG22 THR 37 HG22 THR 37 106.059 2.323 -15.829 294 HG23 THR 37 HG23 THR 37 107.694 1.752 -15.530 295 H ALA 38 HN ALA 38 106.736 2.086 -10.457 296 HA ALA 38 HA ALA 38 106.982 -0.764 -9.678 297 HB1 ALA 38 HB1 ALA 38 106.604 1.474 -7.707 298 HB2 ALA 38 HB2 ALA 38 108.184 1.235 -8.452 299 HB3 ALA 38 HB3 ALA 38 107.455 -0.065 -7.515 300 H ARG 39 HN ARG 39 105.286 -1.791 -8.649 301 HA ARG 39 HA ARG 39 102.713 -0.340 -8.510 302 HB2 ARG 39 HB2 ARG 39 103.223 -3.007 -9.825 303 HB3 ARG 39 HB1 ARG 39 101.620 -2.428 -9.377 304 HG2 ARG 39 HG2 ARG 39 101.938 -0.436 -10.779 305 HG3 ARG 39 HG1 ARG 39 103.545 -1.009 -11.236 306 HD2 ARG 39 HD2 ARG 39 100.973 -2.540 -11.714 307 HD3 ARG 39 HD1 ARG 39 101.792 -1.572 -12.933 308 HE ARG 39 HE ARG 39 102.649 -4.165 -11.899 309 HH11 ARG 39 HH11 ARG 39 105.191 -3.940 -12.000 310 HH12 ARG 39 HH12 ARG 39 105.751 -3.473 -13.570 311 HH21 ARG 39 HH21 ARG 39 102.647 -2.395 -14.667 312 HH22 ARG 39 HH22 ARG 39 104.315 -2.602 -15.075 313 H PHE 40 HN PHE 40 101.920 -0.466 -6.580 314 HA PHE 40 HA PHE 40 102.215 -2.946 -4.992 315 HB2 PHE 40 HB2 PHE 40 102.445 -0.134 -3.885 316 HB3 PHE 40 HB1 PHE 40 102.568 -1.638 -2.974 317 HD1 PHE 40 HD1 PHE 40 104.313 -3.385 -4.133 318 HD2 PHE 40 HD2 PHE 40 104.483 0.898 -4.384 319 HE1 PHE 40 HE1 PHE 40 106.722 -3.505 -4.619 320 HE2 PHE 40 HE2 PHE 40 106.913 0.764 -4.875 321 HZ PHE 40 HZ PHE 40 108.030 -1.443 -4.985 322 H ARG 41 HN ARG 41 100.479 -3.317 -3.529 323 HA ARG 41 HA ARG 41 98.075 -1.672 -4.090 324 HB2 ARG 41 HB2 ARG 41 96.812 -3.760 -3.612 325 HB3 ARG 41 HB1 ARG 41 97.831 -3.857 -5.044 326 HG2 ARG 41 HG2 ARG 41 99.560 -5.035 -3.787 327 HG3 ARG 41 HG1 ARG 41 98.629 -4.877 -2.296 328 HD2 ARG 41 HD2 ARG 41 98.296 -7.095 -3.246 329 HD3 ARG 41 HD1 ARG 41 96.794 -6.178 -3.340 330 HE ARG 41 HE ARG 41 98.355 -5.904 -5.729 331 HH11 ARG 41 HH11 ARG 41 95.772 -6.066 -6.552 332 HH12 ARG 41 HH12 ARG 41 95.386 -7.737 -6.798 333 HH21 ARG 41 HH21 ARG 41 98.076 -8.889 -4.934 334 HH22 ARG 41 HH22 ARG 41 96.705 -9.342 -5.892 335 H CYS 42 HN CYS 42 96.858 -0.984 -2.415 336 HA CYS 42 HA CYS 42 97.405 -1.905 0.314 337 HB2 CYS 42 HB2 CYS 42 98.905 0.066 -0.093 338 HB3 CYS 42 HB1 CYS 42 97.472 1.033 -0.417 339 HG CYS 42 HG CYS 42 97.125 1.247 2.014 340 H ARG 43 HN ARG 43 95.460 -2.667 0.662 341 HA ARG 43 HA ARG 43 93.127 -0.848 0.480 342 HB2 ARG 43 HB2 ARG 43 93.223 -2.622 -1.371 343 HB3 ARG 43 HB1 ARG 43 92.988 -3.813 -0.098 344 HG2 ARG 43 HG2 ARG 43 90.857 -2.833 0.505 345 HG3 ARG 43 HG1 ARG 43 91.120 -1.480 -0.588 346 HD2 ARG 43 HD2 ARG 43 89.626 -3.106 -1.617 347 HD3 ARG 43 HD1 ARG 43 91.160 -3.088 -2.486 348 HE ARG 43 HE ARG 43 91.152 -5.053 -0.410 349 HH11 ARG 43 HH11 ARG 43 88.577 -5.521 -1.974 350 HH12 ARG 43 HH12 ARG 43 89.110 -6.666 -3.154 351 HH21 ARG 43 HH21 ARG 43 92.473 -6.007 -2.658 352 HH22 ARG 43 HH22 ARG 43 91.315 -6.927 -3.558 353 H VAL 44 HN VAL 44 91.225 -1.961 1.951 354 HA VAL 44 HA VAL 44 92.485 -3.174 4.294 355 HB VAL 44 HB VAL 44 92.087 -0.865 4.874 356 HG11 VAL 44 HG11 VAL 44 90.605 -0.314 2.979 357 HG12 VAL 44 HG12 VAL 44 89.895 0.195 4.510 358 HG13 VAL 44 HG13 VAL 44 89.321 -1.270 3.713 359 HG21 VAL 44 HG21 VAL 44 91.197 -2.742 6.401 360 HG22 VAL 44 HG22 VAL 44 89.598 -2.284 5.822 361 HG23 VAL 44 HG23 VAL 44 90.596 -1.111 6.683 362 H THR 45 HN THR 45 90.589 -4.269 5.614 363 HA THR 45 HA THR 45 88.251 -4.946 4.112 364 HB THR 45 HB THR 45 89.791 -6.302 2.834 365 HG1 THR 45 HG1 THR 45 88.954 -8.430 4.159 366 HG21 THR 45 HG21 THR 45 90.665 -7.371 5.521 367 HG22 THR 45 HG22 THR 45 91.648 -6.478 4.358 368 HG23 THR 45 HG23 THR 45 91.095 -8.108 3.976 369 H GLY 46 HN GLY 46 87.169 -6.956 5.248 370 HA2 GLY 46 HA2 GLY 46 86.545 -8.067 7.196 371 HA3 GLY 46 HA1 GLY 46 87.769 -7.167 8.086 372 H TYR 47 HN TYR 47 86.628 -4.646 6.707 373 HA TYR 47 HA TYR 47 84.101 -4.388 8.194 374 HB2 TYR 47 HB2 TYR 47 86.498 -3.544 9.261 375 HB3 TYR 47 HB1 TYR 47 85.940 -2.074 8.479 376 HD1 TYR 47 HD1 TYR 47 84.121 -0.822 9.363 377 HD2 TYR 47 HD2 TYR 47 85.056 -4.708 10.932 378 HE1 TYR 47 HE1 TYR 47 82.556 -0.429 11.253 379 HE2 TYR 47 HE2 TYR 47 83.490 -4.325 12.827 380 HH TYR 47 HH TYR 47 82.186 -1.252 13.548 381 HA PRO 48 HA PRO 48 82.866 -2.352 4.437 382 HB2 PRO 48 HB2 PRO 48 81.208 -0.364 5.752 383 HB3 PRO 48 HB1 PRO 48 80.698 -1.812 4.869 384 HG2 PRO 48 HG2 PRO 48 80.750 -1.364 7.720 385 HG3 PRO 48 HG1 PRO 48 80.115 -2.758 6.831 386 HD2 PRO 48 HD2 PRO 48 82.454 -2.717 8.432 387 HD3 PRO 48 HD1 PRO 48 81.951 -4.016 7.351 388 H GLN 49 HN GLN 49 83.233 -0.472 3.258 389 HA GLN 49 HA GLN 49 85.342 0.932 3.061 390 HB2 GLN 49 HB2 GLN 49 83.976 3.095 2.675 391 HB3 GLN 49 HB1 GLN 49 83.599 1.674 1.709 392 HG2 GLN 49 HG2 GLN 49 81.736 1.108 3.098 393 HG3 GLN 49 HG1 GLN 49 82.160 2.339 4.285 394 HE21 GLN 49 HE21 GLN 49 79.764 1.873 2.324 395 HE22 GLN 49 HE22 GLN 49 79.543 3.403 1.622 396 HA PRO 50 HA PRO 50 85.761 2.675 7.331 397 HB2 PRO 50 HB2 PRO 50 88.535 1.821 7.324 398 HB3 PRO 50 HB1 PRO 50 87.212 1.206 8.323 399 HG2 PRO 50 HG2 PRO 50 88.483 -0.219 6.315 400 HG3 PRO 50 HG1 PRO 50 86.887 -0.598 6.974 401 HD2 PRO 50 HD2 PRO 50 87.586 0.782 4.412 402 HD3 PRO 50 HD1 PRO 50 86.222 -0.298 4.785 403 H LYS 51 HN LYS 51 87.880 4.110 8.067 404 HA LYS 51 HA LYS 51 88.499 5.881 5.755 405 HB2 LYS 51 HB2 LYS 51 88.115 6.550 8.689 406 HB3 LYS 51 HB1 LYS 51 88.674 7.693 7.467 407 HG2 LYS 51 HG2 LYS 51 86.579 7.337 6.187 408 HG3 LYS 51 HG1 LYS 51 86.023 6.219 7.434 409 HD2 LYS 51 HD2 LYS 51 86.179 8.040 9.111 410 HD3 LYS 51 HD1 LYS 51 86.668 9.153 7.839 411 HE2 LYS 51 HE2 LYS 51 84.064 7.605 7.808 412 HE3 LYS 51 HE1 LYS 51 84.221 9.257 8.411 413 HZ1 LYS 51 HZ1 LYS 51 85.370 9.583 6.095 414 HZ2 LYS 51 HZ2 LYS 51 83.679 9.666 6.265 415 HZ3 LYS 51 HZ3 LYS 51 84.407 8.250 5.675 416 H VAL 52 HN VAL 52 90.490 4.876 5.221 417 HA VAL 52 HA VAL 52 92.553 4.934 7.344 418 HB VAL 52 HB VAL 52 93.585 3.088 6.294 419 HG11 VAL 52 HG11 VAL 52 91.307 2.708 7.446 420 HG12 VAL 52 HG12 VAL 52 91.907 1.414 6.405 421 HG13 VAL 52 HG13 VAL 52 90.654 2.515 5.822 422 HG21 VAL 52 HG21 VAL 52 92.661 2.196 4.084 423 HG22 VAL 52 HG22 VAL 52 93.553 3.712 3.974 424 HG23 VAL 52 HG23 VAL 52 91.791 3.731 3.935 425 H ASN 53 HN ASN 53 94.717 5.344 6.608 426 HA ASN 53 HA ASN 53 94.986 6.966 4.173 427 HB2 ASN 53 HB2 ASN 53 96.003 8.788 5.305 428 HB3 ASN 53 HB1 ASN 53 94.514 8.456 6.185 429 HD21 ASN 53 HD21 ASN 53 94.896 8.610 8.419 430 HD22 ASN 53 HD22 ASN 53 96.309 8.076 9.193 431 H TRP 54 HN TRP 54 97.484 7.468 3.893 432 HA TRP 54 HA TRP 54 99.132 5.334 5.088 433 HB2 TRP 54 HB2 TRP 54 99.865 4.930 2.492 434 HB3 TRP 54 HB1 TRP 54 98.635 3.967 3.306 435 HD1 TRP 54 HD1 TRP 54 96.316 3.972 2.249 436 HE1 TRP 54 HE1 TRP 54 95.081 5.473 0.562 437 HE3 TRP 54 HE3 TRP 54 99.847 7.571 1.552 438 HZ2 TRP 54 HZ2 TRP 54 95.531 7.878 -0.877 439 HZ3 TRP 54 HZ3 TRP 54 99.427 9.453 0.022 440 HH2 TRP 54 HH2 TRP 54 97.271 9.619 -1.204 441 H TYR 55 HN TYR 55 101.420 5.458 4.293 442 HA TYR 55 HA TYR 55 102.237 8.270 3.783 443 HB2 TYR 55 HB2 TYR 55 103.344 6.270 5.767 444 HB3 TYR 55 HB1 TYR 55 104.265 7.663 5.223 445 HD1 TYR 55 HD1 TYR 55 100.824 6.887 6.496 446 HD2 TYR 55 HD2 TYR 55 104.157 9.579 6.539 447 HE1 TYR 55 HE1 TYR 55 99.703 8.246 8.233 448 HE2 TYR 55 HE2 TYR 55 103.044 10.945 8.271 449 HH TYR 55 HH TYR 55 100.766 10.006 10.171 450 H LEU 56 HN LEU 56 103.287 8.361 1.856 451 HA LEU 56 HA LEU 56 104.661 5.987 0.813 452 HB2 LEU 56 HB2 LEU 56 103.901 8.677 -0.311 453 HB3 LEU 56 HB1 LEU 56 105.098 7.678 -1.136 454 HG LEU 56 HG LEU 56 103.438 5.796 -1.139 455 HD11 LEU 56 HD11 LEU 56 102.034 6.375 0.704 456 HD12 LEU 56 HD12 LEU 56 101.030 6.514 -0.734 457 HD13 LEU 56 HD13 LEU 56 101.678 7.968 0.022 458 HD21 LEU 56 HD21 LEU 56 101.816 7.076 -2.782 459 HD22 LEU 56 HD22 LEU 56 103.512 6.888 -3.204 460 HD23 LEU 56 HD23 LEU 56 102.939 8.410 -2.541 461 H ASN 57 HN ASN 57 106.941 5.755 0.883 462 HA ASN 57 HA ASN 57 109.052 6.212 1.618 463 HB2 ASN 57 HB2 ASN 57 108.268 8.810 0.283 464 HB3 ASN 57 HB1 ASN 57 109.898 8.485 0.863 465 HD21 ASN 57 HD21 ASN 57 110.112 5.708 0.114 466 HD22 ASN 57 HD22 ASN 57 110.079 5.622 -1.583 467 H GLY 58 HN GLY 58 106.519 7.230 3.232 468 HA2 GLY 58 HA2 GLY 58 106.549 7.715 5.564 469 HA3 GLY 58 HA1 GLY 58 108.106 8.513 5.360 470 H GLN 59 HN GLN 59 105.590 9.089 3.067 471 HA GLN 59 HA GLN 59 105.063 11.787 4.185 472 HB2 GLN 59 HB2 GLN 59 105.453 10.911 1.318 473 HB3 GLN 59 HB1 GLN 59 104.796 12.482 1.778 474 HG2 GLN 59 HG2 GLN 59 106.848 13.015 3.003 475 HG3 GLN 59 HG1 GLN 59 107.503 11.415 2.650 476 HE21 GLN 59 HE21 GLN 59 109.256 13.034 1.645 477 HE22 GLN 59 HE22 GLN 59 109.022 13.426 0.010 478 H LEU 60 HN LEU 60 103.032 12.000 4.785 479 HA LEU 60 HA LEU 60 100.900 10.229 4.028 480 HB2 LEU 60 HB2 LEU 60 101.031 11.275 6.240 481 HB3 LEU 60 HB1 LEU 60 100.951 12.869 5.512 482 HG LEU 60 HG LEU 60 98.669 12.310 4.643 483 HD11 LEU 60 HD11 LEU 60 99.312 9.707 6.010 484 HD12 LEU 60 HD12 LEU 60 98.509 9.986 4.466 485 HD13 LEU 60 HD13 LEU 60 97.641 10.269 5.971 486 HD21 LEU 60 HD21 LEU 60 98.707 11.800 7.619 487 HD22 LEU 60 HD22 LEU 60 97.603 12.807 6.682 488 HD23 LEU 60 HD23 LEU 60 99.248 13.359 6.981 489 H ILE 61 HN ILE 61 99.064 10.721 2.810 490 HA ILE 61 HA ILE 61 97.884 11.576 1.069 491 HB ILE 61 HB ILE 61 97.267 13.399 2.394 492 HG12 ILE 61 HG12 ILE 61 97.021 15.217 0.782 493 HG13 ILE 61 HG11 ILE 61 98.285 14.526 -0.226 494 HG21 ILE 61 HG21 ILE 61 98.585 15.515 2.489 495 HG22 ILE 61 HG22 ILE 61 99.942 14.644 1.791 496 HG23 ILE 61 HG23 ILE 61 99.290 14.173 3.374 497 HD11 ILE 61 HD11 ILE 61 95.873 12.877 0.532 498 HD12 ILE 61 HD12 ILE 61 96.946 12.688 -0.853 499 HD13 ILE 61 HD13 ILE 61 95.788 14.016 -0.808 500 H ARG 62 HN ARG 62 98.231 11.098 -0.823 501 HA ARG 62 HA ARG 62 100.659 12.020 -2.279 502 HB2 ARG 62 HB2 ARG 62 100.625 9.567 -1.971 503 HB3 ARG 62 HB1 ARG 62 99.044 9.497 -2.736 504 HG2 ARG 62 HG2 ARG 62 100.823 8.913 -4.338 505 HG3 ARG 62 HG1 ARG 62 100.005 10.393 -4.827 506 HD2 ARG 62 HD2 ARG 62 101.839 11.734 -4.302 507 HD3 ARG 62 HD1 ARG 62 102.462 10.613 -3.108 508 HE ARG 62 HE ARG 62 102.536 9.500 -5.746 509 HH11 ARG 62 HH11 ARG 62 104.736 8.786 -6.033 510 HH12 ARG 62 HH12 ARG 62 105.997 9.926 -5.711 511 HH21 ARG 62 HH21 ARG 62 103.894 12.247 -4.247 512 HH22 ARG 62 HH22 ARG 62 105.524 11.873 -4.694 513 H LYS 63 HN LYS 63 100.357 12.607 -4.505 514 HA LYS 63 HA LYS 63 98.150 14.219 -4.993 515 HB2 LYS 63 HB2 LYS 63 100.104 13.036 -6.979 516 HB3 LYS 63 HB1 LYS 63 99.016 14.380 -7.312 517 HG2 LYS 63 HG2 LYS 63 100.900 14.484 -4.958 518 HG3 LYS 63 HG1 LYS 63 101.467 14.902 -6.571 519 HD2 LYS 63 HD2 LYS 63 100.047 16.763 -6.748 520 HD3 LYS 63 HD1 LYS 63 98.951 16.184 -5.503 521 HE2 LYS 63 HE2 LYS 63 100.302 18.011 -4.608 522 HE3 LYS 63 HE1 LYS 63 100.728 16.503 -3.804 523 HZ1 LYS 63 HZ1 LYS 63 102.472 18.190 -5.011 524 HZ2 LYS 63 HZ2 LYS 63 102.259 16.981 -6.184 525 HZ3 LYS 63 HZ3 LYS 63 102.782 16.569 -4.620 526 H SER 64 HN SER 64 96.408 14.151 -6.283 527 HA SER 64 HA SER 64 94.993 11.687 -6.457 528 HB2 SER 64 HB2 SER 64 93.156 13.013 -7.032 529 HB3 SER 64 HB1 SER 64 94.146 14.107 -6.066 530 HG SER 64 HG SER 64 93.450 14.252 -8.686 531 H LYS 65 HN LYS 65 93.697 12.832 -8.961 532 HA LYS 65 HA LYS 65 93.820 11.163 -10.869 533 HB2 LYS 65 HB2 LYS 65 94.359 14.093 -11.296 534 HB3 LYS 65 HB1 LYS 65 93.977 12.981 -12.613 535 HG2 LYS 65 HG2 LYS 65 91.879 12.356 -11.466 536 HG3 LYS 65 HG1 LYS 65 92.260 13.504 -10.178 537 HD2 LYS 65 HD2 LYS 65 92.220 15.356 -11.743 538 HD3 LYS 65 HD1 LYS 65 91.969 14.252 -13.099 539 HE2 LYS 65 HE2 LYS 65 89.820 15.207 -12.437 540 HE3 LYS 65 HE1 LYS 65 89.851 13.488 -12.027 541 HZ1 LYS 65 HZ1 LYS 65 89.264 15.506 -10.306 542 HZ2 LYS 65 HZ2 LYS 65 90.885 15.150 -9.929 543 HZ3 LYS 65 HZ3 LYS 65 89.705 13.930 -9.866 544 H ARG 66 HN ARG 66 96.825 12.900 -10.130 545 HA ARG 66 HA ARG 66 98.255 12.148 -12.450 546 HB2 ARG 66 HB2 ARG 66 99.058 13.826 -10.804 547 HB3 ARG 66 HB1 ARG 66 99.307 12.535 -9.633 548 HG2 ARG 66 HG2 ARG 66 100.926 11.455 -11.158 549 HG3 ARG 66 HG1 ARG 66 100.671 12.740 -12.337 550 HD2 ARG 66 HD2 ARG 66 101.441 14.396 -10.643 551 HD3 ARG 66 HD1 ARG 66 101.767 13.080 -9.534 552 HE ARG 66 HE ARG 66 103.654 12.499 -10.818 553 HH11 ARG 66 HH11 ARG 66 105.376 13.457 -12.033 554 HH12 ARG 66 HH12 ARG 66 104.980 14.533 -13.328 555 HH21 ARG 66 HH21 ARG 66 101.576 14.550 -12.646 556 HH22 ARG 66 HH22 ARG 66 102.830 15.154 -13.674 557 H PHE 67 HN PHE 67 97.666 10.552 -9.382 558 HA PHE 67 HA PHE 67 98.712 7.992 -10.471 559 HB2 PHE 67 HB2 PHE 67 98.851 9.018 -7.616 560 HB3 PHE 67 HB1 PHE 67 99.414 7.439 -8.162 561 HD1 PHE 67 HD1 PHE 67 101.004 7.615 -10.359 562 HD2 PHE 67 HD2 PHE 67 100.484 10.673 -7.387 563 HE1 PHE 67 HE1 PHE 67 103.190 8.600 -10.986 564 HE2 PHE 67 HE2 PHE 67 102.675 11.645 -8.003 565 HZ PHE 67 HZ PHE 67 104.023 10.616 -9.801 566 H ARG 68 HN ARG 68 97.510 6.068 -9.827 567 HA ARG 68 HA ARG 68 94.720 6.544 -9.503 568 HB2 ARG 68 HB2 ARG 68 96.386 4.027 -9.340 569 HB3 ARG 68 HB1 ARG 68 94.634 4.031 -9.168 570 HG2 ARG 68 HG2 ARG 68 94.438 5.115 -11.388 571 HG3 ARG 68 HG1 ARG 68 96.192 5.037 -11.557 572 HD2 ARG 68 HD2 ARG 68 94.439 2.610 -11.101 573 HD3 ARG 68 HD1 ARG 68 94.983 3.139 -12.691 574 HE ARG 68 HE ARG 68 97.291 2.943 -11.210 575 HH11 ARG 68 HH11 ARG 68 96.636 0.773 -9.560 576 HH12 ARG 68 HH12 ARG 68 96.674 -0.644 -10.553 577 HH21 ARG 68 HH21 ARG 68 96.490 1.125 -13.540 578 HH22 ARG 68 HH22 ARG 68 96.627 -0.440 -12.814 579 H VAL 69 HN VAL 69 93.906 7.300 -7.668 580 HA VAL 69 HA VAL 69 94.410 5.849 -5.191 581 HB VAL 69 HB VAL 69 96.177 7.670 -5.437 582 HG11 VAL 69 HG11 VAL 69 94.551 9.377 -6.373 583 HG12 VAL 69 HG12 VAL 69 95.544 9.954 -5.034 584 HG13 VAL 69 HG13 VAL 69 93.863 9.504 -4.750 585 HG21 VAL 69 HG21 VAL 69 95.949 8.372 -3.087 586 HG22 VAL 69 HG22 VAL 69 95.623 6.651 -3.277 587 HG23 VAL 69 HG23 VAL 69 94.290 7.790 -3.071 588 H ARG 70 HN ARG 70 92.654 5.813 -3.917 589 HA ARG 70 HA ARG 70 90.553 7.846 -4.245 590 HB2 ARG 70 HB2 ARG 70 89.985 5.959 -5.788 591 HB3 ARG 70 HB1 ARG 70 89.986 4.873 -4.397 592 HG2 ARG 70 HG2 ARG 70 88.200 6.163 -3.345 593 HG3 ARG 70 HG1 ARG 70 88.237 7.332 -4.666 594 HD2 ARG 70 HD2 ARG 70 86.410 5.826 -5.094 595 HD3 ARG 70 HD1 ARG 70 87.687 5.449 -6.243 596 HE ARG 70 HE ARG 70 88.006 3.809 -3.965 597 HH11 ARG 70 HH11 ARG 70 86.549 4.089 -7.038 598 HH12 ARG 70 HH12 ARG 70 85.693 2.588 -6.954 599 HH21 ARG 70 HH21 ARG 70 86.658 1.901 -3.705 600 HH22 ARG 70 HH22 ARG 70 85.787 1.335 -5.092 601 H TYR 71 HN TYR 71 90.331 8.607 -2.236 602 HA TYR 71 HA TYR 71 91.042 6.995 0.048 603 HB2 TYR 71 HB2 TYR 71 89.623 9.671 0.027 604 HB3 TYR 71 HB1 TYR 71 90.564 8.964 1.342 605 HD1 TYR 71 HD1 TYR 71 92.936 9.043 1.360 606 HD2 TYR 71 HD2 TYR 71 90.777 10.419 -2.071 607 HE1 TYR 71 HE1 TYR 71 95.014 10.037 0.469 608 HE2 TYR 71 HE2 TYR 71 92.861 11.421 -2.981 609 HH TYR 71 HH TYR 71 95.139 11.442 -2.774 610 H ASP 72 HN ASP 72 89.625 5.268 -0.040 611 HA ASP 72 HA ASP 72 87.183 5.551 1.412 612 HB2 ASP 72 HB2 ASP 72 87.067 4.935 -1.549 613 HB3 ASP 72 HB1 ASP 72 85.786 4.457 -0.431 614 H GLY 73 HN GLY 73 89.817 4.182 1.296 615 HA2 GLY 73 HA2 GLY 73 90.250 2.097 2.409 616 HA3 GLY 73 HA1 GLY 73 88.864 1.402 1.583 617 H ILE 74 HN ILE 74 89.870 2.939 -0.941 618 HA ILE 74 HA ILE 74 91.731 0.806 -1.824 619 HB ILE 74 HB ILE 74 89.927 2.679 -3.383 620 HG12 ILE 74 HG12 ILE 74 88.887 0.410 -3.997 621 HG13 ILE 74 HG11 ILE 74 89.829 -0.265 -2.673 622 HG21 ILE 74 HG21 ILE 74 90.583 1.123 -5.303 623 HG22 ILE 74 HG22 ILE 74 91.921 0.592 -4.282 624 HG23 ILE 74 HG23 ILE 74 91.804 2.282 -4.783 625 HD11 ILE 74 HD11 ILE 74 87.328 0.614 -2.320 626 HD12 ILE 74 HD12 ILE 74 88.149 2.148 -2.072 627 HD13 ILE 74 HD13 ILE 74 88.539 0.764 -1.054 628 H HIS 75 HN HIS 75 93.848 1.320 -1.958 629 HA HIS 75 HA HIS 75 94.575 3.884 -3.174 630 HB2 HIS 75 HB2 HIS 75 96.473 3.614 -1.075 631 HB3 HIS 75 HB1 HIS 75 95.243 4.861 -1.253 632 HD1 HIS 75 HD1 HIS 75 96.166 1.928 0.759 633 HD2 HIS 75 HD2 HIS 75 92.722 4.193 0.144 634 HE1 HIS 75 HE1 HIS 75 94.572 1.335 2.635 635 H TYR 76 HN TYR 76 95.686 3.301 -4.916 636 HA TYR 76 HA TYR 76 97.688 1.113 -4.713 637 HB2 TYR 76 HB2 TYR 76 95.975 2.182 -6.938 638 HB3 TYR 76 HB1 TYR 76 97.526 1.469 -7.357 639 HD1 TYR 76 HD1 TYR 76 94.860 0.686 -4.827 640 HD2 TYR 76 HD2 TYR 76 97.285 -0.742 -8.068 641 HE1 TYR 76 HE1 TYR 76 93.864 -1.563 -4.573 642 HE2 TYR 76 HE2 TYR 76 96.297 -2.995 -7.808 643 HH TYR 76 HH TYR 76 93.672 -3.698 -6.603 644 H LEU 77 HN LEU 77 99.811 1.539 -5.039 645 HA LEU 77 HA LEU 77 100.600 4.366 -5.398 646 HB2 LEU 77 HB2 LEU 77 102.415 2.103 -4.575 647 HB3 LEU 77 HB1 LEU 77 102.592 3.829 -4.268 648 HG LEU 77 HG LEU 77 100.476 2.011 -3.068 649 HD11 LEU 77 HD11 LEU 77 101.619 2.544 -0.945 650 HD12 LEU 77 HD12 LEU 77 102.830 3.470 -1.831 651 HD13 LEU 77 HD13 LEU 77 102.706 1.727 -2.067 652 HD21 LEU 77 HD21 LEU 77 99.469 4.152 -3.367 653 HD22 LEU 77 HD22 LEU 77 100.952 4.986 -2.926 654 HD23 LEU 77 HD23 LEU 77 100.025 4.140 -1.700 655 H ASP 78 HN ASP 78 100.788 4.731 -7.618 656 HA ASP 78 HA ASP 78 102.491 2.835 -9.166 657 HB2 ASP 78 HB2 ASP 78 100.108 3.130 -9.931 658 HB3 ASP 78 HB1 ASP 78 100.489 4.816 -10.261 659 H ILE 79 HN ILE 79 104.536 3.678 -9.101 660 HA ILE 79 HA ILE 79 104.844 6.600 -9.550 661 HB ILE 79 HB ILE 79 107.243 6.088 -8.767 662 HG12 ILE 79 HG12 ILE 79 106.127 3.749 -7.251 663 HG13 ILE 79 HG11 ILE 79 106.522 3.459 -8.944 664 HG21 ILE 79 HG21 ILE 79 105.885 7.345 -7.315 665 HG22 ILE 79 HG22 ILE 79 106.396 5.980 -6.320 666 HG23 ILE 79 HG23 ILE 79 104.781 5.999 -7.027 667 HD11 ILE 79 HD11 ILE 79 108.381 3.121 -7.115 668 HD12 ILE 79 HD12 ILE 79 108.513 4.878 -7.186 669 HD13 ILE 79 HD13 ILE 79 108.792 3.917 -8.636 670 H VAL 80 HN VAL 80 105.088 7.004 -11.658 671 HA VAL 80 HA VAL 80 107.194 5.633 -13.153 672 HB VAL 80 HB VAL 80 105.193 4.539 -13.934 673 HG11 VAL 80 HG11 VAL 80 103.629 6.309 -13.046 674 HG12 VAL 80 HG12 VAL 80 103.225 5.743 -14.667 675 HG13 VAL 80 HG13 VAL 80 104.036 7.291 -14.452 676 HG21 VAL 80 HG21 VAL 80 106.940 5.656 -15.602 677 HG22 VAL 80 HG22 VAL 80 105.561 6.666 -16.035 678 HG23 VAL 80 HG23 VAL 80 105.461 4.919 -16.223 679 H ASP 81 HN ASP 81 106.162 8.335 -11.796 680 HA ASP 81 HA ASP 81 106.170 10.289 -13.832 681 HB2 ASP 81 HB2 ASP 81 106.698 11.853 -11.898 682 HB3 ASP 81 HB1 ASP 81 105.254 10.857 -11.727 683 H CYS 82 HN CYS 82 108.545 8.226 -12.987 684 HA CYS 82 HA CYS 82 110.642 8.051 -13.895 685 HB2 CYS 82 HB2 CYS 82 109.744 9.945 -15.441 686 HB3 CYS 82 HB1 CYS 82 110.797 10.983 -14.478 687 HG CYS 82 HG CYS 82 111.739 9.007 -16.575 688 H LYS 83 HN LYS 83 109.689 9.933 -11.314 689 HA LYS 83 HA LYS 83 112.473 10.296 -10.348 690 HB2 LYS 83 HB2 LYS 83 111.187 11.538 -8.428 691 HB3 LYS 83 HB1 LYS 83 111.414 12.368 -9.963 692 HG2 LYS 83 HG2 LYS 83 109.141 11.582 -10.663 693 HG3 LYS 83 HG1 LYS 83 108.938 10.885 -9.055 694 HD2 LYS 83 HD2 LYS 83 109.433 13.831 -9.638 695 HD3 LYS 83 HD1 LYS 83 107.877 13.119 -9.218 696 HE2 LYS 83 HE2 LYS 83 108.577 13.848 -7.130 697 HE3 LYS 83 HE1 LYS 83 109.228 12.210 -7.117 698 HZ1 LYS 83 HZ1 LYS 83 110.616 14.613 -6.890 699 HZ2 LYS 83 HZ2 LYS 83 111.061 13.931 -8.384 700 HZ3 LYS 83 HZ3 LYS 83 111.256 13.042 -6.949 701 H SER 84 HN SER 84 112.986 8.277 -9.674 702 HA SER 84 HA SER 84 111.271 7.031 -7.631 703 HB2 SER 84 HB2 SER 84 112.833 5.255 -9.445 704 HB3 SER 84 HB1 SER 84 111.237 5.015 -8.740 705 HG SER 84 HG SER 84 111.835 6.897 -10.780 706 H TYR 85 HN TYR 85 114.450 7.583 -9.015 707 HA TYR 85 HA TYR 85 116.116 6.036 -7.463 708 HB2 TYR 85 HB2 TYR 85 117.055 7.221 -9.272 709 HB3 TYR 85 HB1 TYR 85 116.463 8.764 -8.691 710 HD1 TYR 85 HD1 TYR 85 118.312 10.127 -8.220 711 HD2 TYR 85 HD2 TYR 85 118.397 6.009 -7.010 712 HE1 TYR 85 HE1 TYR 85 120.476 10.508 -7.058 713 HE2 TYR 85 HE2 TYR 85 120.542 6.381 -5.856 714 HH TYR 85 HH TYR 85 121.747 8.406 -4.815 715 H ASP 86 HN ASP 86 114.562 6.367 -5.369 716 HA ASP 86 HA ASP 86 116.200 7.851 -3.514 717 HB2 ASP 86 HB2 ASP 86 114.621 9.577 -4.399 718 HB3 ASP 86 HB1 ASP 86 113.279 8.571 -3.848 719 H THR 87 HN THR 87 116.435 6.334 -1.959 720 HA THR 87 HA THR 87 114.387 4.335 -1.560 721 HB THR 87 HB THR 87 115.948 3.287 -0.074 722 HG1 THR 87 HG1 THR 87 117.851 5.223 -0.143 723 HG21 THR 87 HG21 THR 87 116.510 3.297 -2.518 724 HG22 THR 87 HG22 THR 87 117.925 3.143 -1.480 725 HG23 THR 87 HG23 THR 87 117.549 4.695 -2.227 726 H GLY 88 HN GLY 88 112.766 4.353 -0.038 727 HA2 GLY 88 HA2 GLY 88 113.063 6.159 2.283 728 HA3 GLY 88 HA1 GLY 88 111.668 6.348 1.223 729 H GLU 89 HN GLU 89 110.296 5.842 3.050 730 HA GLU 89 HA GLU 89 110.015 2.932 3.441 731 HB2 GLU 89 HB2 GLU 89 111.306 3.820 5.366 732 HB3 GLU 89 HB1 GLU 89 109.984 4.937 5.706 733 HG2 GLU 89 HG2 GLU 89 108.452 3.044 6.054 734 HG3 GLU 89 HG1 GLU 89 109.747 1.914 5.656 735 H VAL 90 HN VAL 90 107.970 2.222 3.656 736 HA VAL 90 HA VAL 90 105.830 4.248 3.453 737 HB VAL 90 HB VAL 90 106.022 1.421 2.374 738 HG11 VAL 90 HG11 VAL 90 103.688 3.315 2.636 739 HG12 VAL 90 HG12 VAL 90 103.759 1.598 3.018 740 HG13 VAL 90 HG13 VAL 90 103.737 2.124 1.337 741 HG21 VAL 90 HG21 VAL 90 106.022 4.174 1.134 742 HG22 VAL 90 HG22 VAL 90 105.529 2.766 0.200 743 HG23 VAL 90 HG23 VAL 90 107.157 2.861 0.877 744 H LYS 91 HN LYS 91 104.184 4.144 4.923 745 HA LYS 91 HA LYS 91 103.941 1.773 6.647 746 HB2 LYS 91 HB2 LYS 91 105.408 3.347 7.883 747 HB3 LYS 91 HB1 LYS 91 104.172 4.599 7.700 748 HG2 LYS 91 HG2 LYS 91 102.585 3.341 9.001 749 HG3 LYS 91 HG1 LYS 91 103.633 1.921 9.011 750 HD2 LYS 91 HD2 LYS 91 103.882 2.987 11.154 751 HD3 LYS 91 HD1 LYS 91 105.354 3.318 10.237 752 HE2 LYS 91 HE2 LYS 91 104.597 5.552 9.702 753 HE3 LYS 91 HE1 LYS 91 103.003 5.227 10.391 754 HZ1 LYS 91 HZ1 LYS 91 103.813 5.951 12.305 755 HZ2 LYS 91 HZ2 LYS 91 105.390 6.042 11.684 756 HZ3 LYS 91 HZ3 LYS 91 104.825 4.586 12.349 757 H VAL 92 HN VAL 92 101.848 1.229 6.755 758 HA VAL 92 HA VAL 92 99.830 3.298 6.084 759 HB VAL 92 HB VAL 92 98.576 1.642 4.980 760 HG11 VAL 92 HG11 VAL 92 100.099 0.774 3.310 761 HG12 VAL 92 HG12 VAL 92 101.468 0.966 4.404 762 HG13 VAL 92 HG13 VAL 92 100.633 2.390 3.782 763 HG21 VAL 92 HG21 VAL 92 98.683 -0.193 6.550 764 HG22 VAL 92 HG22 VAL 92 100.421 -0.358 6.316 765 HG23 VAL 92 HG23 VAL 92 99.316 -0.790 5.015 766 H THR 93 HN THR 93 98.134 3.600 7.364 767 HA THR 93 HA THR 93 97.736 1.843 9.722 768 HB THR 93 HB THR 93 98.877 3.920 10.438 769 HG1 THR 93 HG1 THR 93 96.632 2.994 11.336 770 HG21 THR 93 HG21 THR 93 97.892 6.098 10.036 771 HG22 THR 93 HG22 THR 93 96.501 5.364 9.231 772 HG23 THR 93 HG23 THR 93 98.097 5.286 8.483 773 H ALA 94 HN ALA 94 95.478 2.106 10.593 774 HA ALA 94 HA ALA 94 93.566 3.187 8.631 775 HB1 ALA 94 HB1 ALA 94 92.230 1.066 8.821 776 HB2 ALA 94 HB2 ALA 94 93.643 0.320 9.571 777 HB3 ALA 94 HB3 ALA 94 93.731 0.914 7.911 778 H GLU 95 HN GLU 95 91.464 3.500 9.504 779 HA GLU 95 HA GLU 95 91.352 3.395 12.469 780 HB2 GLU 95 HB2 GLU 95 91.782 5.699 11.578 781 HB3 GLU 95 HB1 GLU 95 90.247 5.596 10.715 782 HG2 GLU 95 HG2 GLU 95 89.098 5.166 12.879 783 HG3 GLU 95 HG1 GLU 95 90.638 5.387 13.710 784 H ASN 96 HN ASN 96 89.339 2.992 13.343 785 HA ASN 96 HA ASN 96 87.046 2.595 11.641 786 HB2 ASN 96 HB2 ASN 96 88.658 0.452 11.731 787 HB3 ASN 96 HB1 ASN 96 87.824 0.181 13.255 788 HD21 ASN 96 HD21 ASN 96 86.574 1.523 10.162 789 HD22 ASN 96 HD22 ASN 96 85.354 0.356 9.984 790 HA PRO 97 HA PRO 97 85.323 3.980 15.486 791 HB2 PRO 97 HB2 PRO 97 82.838 2.506 15.258 792 HB3 PRO 97 HB1 PRO 97 83.119 4.229 14.977 793 HG2 PRO 97 HG2 PRO 97 82.677 2.153 13.036 794 HG3 PRO 97 HG1 PRO 97 82.882 3.889 12.767 795 HD2 PRO 97 HD2 PRO 97 84.753 1.816 12.135 796 HD3 PRO 97 HD1 PRO 97 84.996 3.568 11.984 797 H GLU 98 HN GLU 98 85.517 0.578 14.673 798 HA GLU 98 HA GLU 98 85.472 -0.103 17.567 799 HB2 GLU 98 HB2 GLU 98 84.689 -1.760 15.170 800 HB3 GLU 98 HB1 GLU 98 84.803 -2.379 16.818 801 HG2 GLU 98 HG2 GLU 98 83.145 -0.704 17.557 802 HG3 GLU 98 HG1 GLU 98 83.028 -0.100 15.902 803 H GLY 99 HN GLY 99 87.698 0.287 15.068 804 HA2 GLY 99 HA2 GLY 99 89.634 -1.314 16.491 805 HA3 GLY 99 HA1 GLY 99 89.248 -1.914 14.880 806 H VAL 100 HN VAL 100 91.721 -1.131 15.703 807 HA VAL 100 HA VAL 100 92.375 0.968 13.767 808 HB VAL 100 HB VAL 100 93.353 0.940 16.640 809 HG11 VAL 100 HG11 VAL 100 94.171 2.556 14.208 810 HG12 VAL 100 HG12 VAL 100 95.205 1.558 15.233 811 HG13 VAL 100 HG13 VAL 100 94.538 3.063 15.858 812 HG21 VAL 100 HG21 VAL 100 92.345 3.274 16.565 813 HG22 VAL 100 HG22 VAL 100 91.179 1.955 16.515 814 HG23 VAL 100 HG23 VAL 100 91.597 2.814 15.032 815 H ILE 101 HN ILE 101 94.199 0.378 12.590 816 HA ILE 101 HA ILE 101 95.896 -1.784 13.704 817 HB ILE 101 HB ILE 101 94.943 -1.737 10.833 818 HG12 ILE 101 HG12 ILE 101 94.059 -3.604 13.060 819 HG13 ILE 101 HG11 ILE 101 93.100 -2.224 12.523 820 HG21 ILE 101 HG21 ILE 101 96.668 -3.577 12.509 821 HG22 ILE 101 HG22 ILE 101 97.000 -2.902 10.914 822 HG23 ILE 101 HG23 ILE 101 95.815 -4.192 11.099 823 HD11 ILE 101 HD11 ILE 101 92.910 -4.751 11.456 824 HD12 ILE 101 HD12 ILE 101 94.026 -3.991 10.320 825 HD13 ILE 101 HD13 ILE 101 92.436 -3.283 10.612 826 H GLU 102 HN GLU 102 97.945 -2.029 12.565 827 HA GLU 102 HA GLU 102 98.917 0.159 10.947 828 HB2 GLU 102 HB2 GLU 102 100.685 0.829 12.533 829 HB3 GLU 102 HB1 GLU 102 99.078 1.158 13.171 830 HG2 GLU 102 HG2 GLU 102 99.174 -0.924 14.501 831 HG3 GLU 102 HG1 GLU 102 100.789 -1.254 13.867 832 H HIS 103 HN HIS 103 100.659 -0.403 9.753 833 HA HIS 103 HA HIS 103 102.259 -2.775 10.435 834 HB2 HIS 103 HB2 HIS 103 100.441 -2.492 8.057 835 HB3 HIS 103 HB1 HIS 103 101.954 -3.372 7.865 836 HD1 HIS 103 HD1 HIS 103 98.686 -4.239 8.237 837 HD2 HIS 103 HD2 HIS 103 102.010 -5.167 10.566 838 HE1 HIS 103 HE1 HIS 103 98.211 -6.492 9.278 839 H LYS 104 HN LYS 104 104.377 -2.569 9.802 840 HA LYS 104 HA LYS 104 105.080 -0.187 8.172 841 HB2 LYS 104 HB2 LYS 104 107.214 -0.181 9.327 842 HB3 LYS 104 HB1 LYS 104 105.896 -0.103 10.492 843 HG2 LYS 104 HG2 LYS 104 106.088 -2.631 10.700 844 HG3 LYS 104 HG1 LYS 104 107.587 -2.509 9.779 845 HD2 LYS 104 HD2 LYS 104 107.031 -1.006 12.358 846 HD3 LYS 104 HD1 LYS 104 107.964 -2.499 12.259 847 HE2 LYS 104 HE2 LYS 104 109.487 -1.283 10.611 848 HE3 LYS 104 HE1 LYS 104 108.660 0.200 11.082 849 HZ1 LYS 104 HZ1 LYS 104 109.295 -1.154 13.416 850 HZ2 LYS 104 HZ2 LYS 104 109.965 0.298 12.842 851 HZ3 LYS 104 HZ3 LYS 104 110.688 -1.187 12.449 852 H VAL 105 HN VAL 105 106.215 -0.396 6.384 853 HA VAL 105 HA VAL 105 107.636 -2.915 5.814 854 HB VAL 105 HB VAL 105 106.696 -3.172 3.662 855 HG11 VAL 105 HG11 VAL 105 104.475 -2.331 5.547 856 HG12 VAL 105 HG12 VAL 105 105.230 -3.922 5.488 857 HG13 VAL 105 HG13 VAL 105 104.273 -3.348 4.123 858 HG21 VAL 105 HG21 VAL 105 105.560 -0.393 4.086 859 HG22 VAL 105 HG22 VAL 105 104.975 -1.469 2.813 860 HG23 VAL 105 HG23 VAL 105 106.655 -0.928 2.818 861 H LYS 106 HN LYS 106 109.305 -2.653 4.141 862 HA LYS 106 HA LYS 106 110.274 0.162 3.967 863 HB2 LYS 106 HB2 LYS 106 111.572 -1.488 5.408 864 HB3 LYS 106 HB1 LYS 106 112.004 -2.296 3.906 865 HG2 LYS 106 HG2 LYS 106 113.054 -0.259 3.055 866 HG3 LYS 106 HG1 LYS 106 112.507 0.642 4.467 867 HD2 LYS 106 HD2 LYS 106 114.845 0.045 4.789 868 HD3 LYS 106 HD1 LYS 106 113.859 -0.870 5.923 869 HE2 LYS 106 HE2 LYS 106 114.087 -2.873 4.661 870 HE3 LYS 106 HE1 LYS 106 114.685 -2.012 3.245 871 HZ1 LYS 106 HZ1 LYS 106 116.058 -2.617 5.776 872 HZ2 LYS 106 HZ2 LYS 106 116.549 -1.280 4.847 873 HZ3 LYS 106 HZ3 LYS 106 116.600 -2.844 4.190 874 H LEU 107 HN LEU 107 110.499 1.012 2.012 875 HA LEU 107 HA LEU 107 110.907 -0.773 -0.330 876 HB2 LEU 107 HB2 LEU 107 109.377 1.860 -0.281 877 HB3 LEU 107 HB1 LEU 107 109.673 0.864 -1.705 878 HG LEU 107 HG LEU 107 108.045 0.058 0.728 879 HD11 LEU 107 HD11 LEU 107 106.997 0.244 -2.087 880 HD12 LEU 107 HD12 LEU 107 107.157 1.722 -1.142 881 HD13 LEU 107 HD13 LEU 107 106.133 0.411 -0.561 882 HD21 LEU 107 HD21 LEU 107 109.017 -1.435 -1.704 883 HD22 LEU 107 HD22 LEU 107 107.477 -1.881 -0.968 884 HD23 LEU 107 HD23 LEU 107 108.963 -1.970 -0.025 885 H GLU 108 HN GLU 108 112.807 -0.420 -1.316 886 HA GLU 108 HA GLU 108 114.073 2.232 -1.014 887 HB2 GLU 108 HB2 GLU 108 116.276 0.942 -1.159 888 HB3 GLU 108 HB1 GLU 108 115.391 0.828 0.365 889 HG2 GLU 108 HG2 GLU 108 114.400 -1.314 -0.387 890 HG3 GLU 108 HG1 GLU 108 115.323 -1.204 -1.882 891 H ILE 109 HN ILE 109 114.467 3.223 -2.921 892 HA ILE 109 HA ILE 109 114.347 1.564 -5.376 893 HB ILE 109 HB ILE 109 113.928 4.523 -4.988 894 HG12 ILE 109 HG12 ILE 109 111.909 2.322 -5.529 895 HG13 ILE 109 HG11 ILE 109 112.160 3.076 -3.961 896 HG21 ILE 109 HG21 ILE 109 114.700 4.157 -7.209 897 HG22 ILE 109 HG22 ILE 109 112.950 4.203 -7.360 898 HG23 ILE 109 HG23 ILE 109 113.786 2.663 -7.367 899 HD11 ILE 109 HD11 ILE 109 111.255 4.456 -6.502 900 HD12 ILE 109 HD12 ILE 109 111.623 5.292 -4.994 901 HD13 ILE 109 HD13 ILE 109 110.276 4.156 -5.061 902 H GLN 110 HN GLN 110 116.313 1.103 -6.149 903 HA GLN 110 HA GLN 110 118.639 2.723 -5.607 904 HB2 GLN 110 HB2 GLN 110 118.497 0.160 -5.899 905 HB3 GLN 110 HB1 GLN 110 118.517 0.497 -7.625 906 HG2 GLN 110 HG2 GLN 110 120.806 0.179 -7.040 907 HG3 GLN 110 HG1 GLN 110 120.615 1.925 -7.150 908 HE21 GLN 110 HE21 GLN 110 121.804 2.848 -5.504 909 HE22 GLN 110 HE22 GLN 110 121.796 2.316 -3.889 910 H GLN 111 HN GLN 111 119.499 1.863 -8.528 911 HA GLN 111 HA GLN 111 118.115 3.834 -10.137 912 HB2 GLN 111 HB2 GLN 111 119.663 5.250 -8.872 913 HB3 GLN 111 HB1 GLN 111 121.013 4.238 -9.378 914 HG2 GLN 111 HG2 GLN 111 120.717 4.855 -11.681 915 HG3 GLN 111 HG1 GLN 111 119.196 5.670 -11.324 916 HE21 GLN 111 HE21 GLN 111 121.478 6.956 -12.551 917 HE22 GLN 111 HE22 GLN 111 121.984 8.179 -11.492 918 H LEU 112 HN LEU 112 118.792 3.875 -12.337 919 HA LEU 112 HA LEU 112 119.802 3.081 -14.261 920 HB2 LEU 112 HB2 LEU 112 121.693 2.274 -12.589 921 HB3 LEU 112 HB1 LEU 112 120.979 0.690 -12.874 922 HG LEU 112 HG LEU 112 121.133 1.382 -15.418 923 HD11 LEU 112 HD11 LEU 112 123.193 3.185 -14.112 924 HD12 LEU 112 HD12 LEU 112 121.843 3.683 -15.128 925 HD13 LEU 112 HD13 LEU 112 123.181 2.780 -15.828 926 HD21 LEU 112 HD21 LEU 112 122.386 -0.488 -14.438 927 HD22 LEU 112 HD22 LEU 112 123.587 0.630 -13.797 928 HD23 LEU 112 HD23 LEU 112 123.411 0.425 -15.541 929 H GLU 113 HN GLU 113 120.157 0.068 -14.548 930 HA GLU 113 HA GLU 113 117.597 -1.118 -14.140 931 HB2 GLU 113 HB2 GLU 113 116.815 -1.140 -16.474 932 HB3 GLU 113 HB1 GLU 113 116.945 0.508 -15.871 933 HG2 GLU 113 HG2 GLU 113 119.092 0.791 -16.978 934 HG3 GLU 113 HG1 GLU 113 119.053 -0.878 -17.544 935 H HIS 114 HN HIS 114 120.682 -1.008 -15.740 936 HA HIS 114 HA HIS 114 120.647 -3.812 -16.528 937 HB2 HIS 114 HB2 HIS 114 122.801 -1.688 -16.671 938 HB3 HIS 114 HB1 HIS 114 122.949 -3.319 -17.332 939 HD1 HIS 114 HD1 HIS 114 121.411 -0.010 -17.963 940 HD2 HIS 114 HD2 HIS 114 121.185 -3.851 -19.552 941 HE1 HIS 114 HE1 HIS 114 120.281 0.219 -20.214 942 H HIS 115 HN HIS 115 121.590 -5.462 -15.500 943 HA HIS 115 HA HIS 115 122.614 -5.008 -12.806 944 HB2 HIS 115 HB2 HIS 115 122.799 -7.602 -12.930 945 HB3 HIS 115 HB1 HIS 115 121.195 -6.881 -12.870 946 HD1 HIS 115 HD1 HIS 115 123.596 -8.597 -15.168 947 HD2 HIS 115 HD2 HIS 115 119.702 -7.122 -15.284 948 HE1 HIS 115 HE1 HIS 115 122.539 -9.538 -17.274 949 H HIS 116 HN HIS 116 124.616 -5.954 -12.118 950 HA HIS 116 HA HIS 116 126.798 -5.255 -13.792 951 HB2 HIS 116 HB2 HIS 116 126.772 -6.928 -11.265 952 HB3 HIS 116 HB1 HIS 116 128.194 -6.179 -12.000 953 HD1 HIS 116 HD1 HIS 116 126.652 -3.525 -12.798 954 HD2 HIS 116 HD2 HIS 116 126.795 -5.198 -8.986 955 HE1 HIS 116 HE1 HIS 116 126.181 -1.640 -11.179 956 H HIS 117 HN HIS 117 128.460 -6.669 -14.645 957 HA HIS 117 HA HIS 117 127.795 -9.519 -14.879 958 HB2 HIS 117 HB2 HIS 117 128.099 -9.411 -17.372 959 HB3 HIS 117 HB1 HIS 117 126.631 -8.616 -16.792 960 HD1 HIS 117 HD1 HIS 117 129.806 -8.016 -18.546 961 HD2 HIS 117 HD2 HIS 117 126.833 -5.698 -16.772 962 HE1 HIS 117 HE1 HIS 117 130.132 -5.665 -19.415 963 H HIS 118 HN HIS 118 129.531 -10.820 -15.642 964 HA HIS 118 HA HIS 118 132.152 -9.589 -16.017 965 HB2 HIS 118 HB2 HIS 118 133.197 -10.822 -14.184 966 HB3 HIS 118 HB1 HIS 118 131.917 -9.785 -13.555 967 HD1 HIS 118 HD1 HIS 118 133.105 -13.055 -13.062 968 HD2 HIS 118 HD2 HIS 118 129.293 -11.490 -13.689 969 HE1 HIS 118 HE1 HIS 118 131.469 -14.794 -12.220 970 H HIS 119 HN HIS 119 133.777 -11.699 -15.870 971 HA HIS 119 HA HIS 119 133.453 -13.058 -18.235 972 HB2 HIS 119 HB2 HIS 119 134.850 -14.012 -15.722 973 HB3 HIS 119 HB1 HIS 119 135.050 -14.733 -17.319 974 HD1 HIS 119 HD1 HIS 119 135.741 -11.557 -15.404 975 HD2 HIS 119 HD2 HIS 119 136.700 -13.270 -19.079 976 HE1 HIS 119 HE1 HIS 119 137.575 -10.126 -16.403 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 77.685 14.487 -20.460 2 H2 ARG 1 HT2 ARG 1 76.729 15.890 -20.448 3 H3 ARG 1 HT3 ARG 1 77.250 15.228 -21.922 4 HA ARG 1 HA ARG 1 75.044 14.442 -20.200 5 HB2 ARG 1 HB2 ARG 1 75.684 14.283 -23.162 6 HB3 ARG 1 HB1 ARG 1 74.194 13.667 -22.456 7 HG2 ARG 1 HG2 ARG 1 73.521 15.803 -23.094 8 HG3 ARG 1 HG1 ARG 1 74.007 16.098 -21.429 9 HD2 ARG 1 HD2 ARG 1 76.221 16.871 -22.217 10 HD3 ARG 1 HD1 ARG 1 75.738 16.550 -23.879 11 HE ARG 1 HE ARG 1 74.403 18.470 -23.826 12 HH11 ARG 1 HH11 ARG 1 76.611 18.641 -21.373 13 HH12 ARG 1 HH12 ARG 1 75.712 19.712 -20.350 14 HH21 ARG 1 HH21 ARG 1 72.799 19.467 -22.221 15 HH22 ARG 1 HH22 ARG 1 73.545 20.175 -20.828 16 H MET 2 HN MET 2 75.510 12.327 -22.778 17 HA MET 2 HA MET 2 76.094 10.118 -20.940 18 HB2 MET 2 HB2 MET 2 75.370 8.650 -22.678 19 HB3 MET 2 HB1 MET 2 74.223 9.984 -22.638 20 HG2 MET 2 HG2 MET 2 74.633 9.864 -24.924 21 HG3 MET 2 HG1 MET 2 75.891 11.009 -24.462 22 HE1 MET 2 HE1 MET 2 76.441 10.108 -26.957 23 HE2 MET 2 HE2 MET 2 77.938 9.185 -27.034 24 HE3 MET 2 HE3 MET 2 77.874 10.663 -26.080 25 H ALA 3 HN ALA 3 78.009 9.205 -20.753 26 HA ALA 3 HA ALA 3 80.195 10.011 -22.534 27 HB1 ALA 3 HB1 ALA 3 80.651 10.147 -20.172 28 HB2 ALA 3 HB2 ALA 3 81.580 8.797 -20.825 29 HB3 ALA 3 HB3 ALA 3 80.094 8.493 -19.925 30 H HIS 4 HN HIS 4 79.070 6.988 -21.028 31 HA HIS 4 HA HIS 4 79.339 5.533 -23.541 32 HB2 HIS 4 HB2 HIS 4 80.855 3.847 -22.574 33 HB3 HIS 4 HB1 HIS 4 81.616 5.436 -22.630 34 HD1 HIS 4 HD1 HIS 4 80.959 6.865 -20.229 35 HD2 HIS 4 HD2 HIS 4 81.288 2.710 -20.102 36 HE1 HIS 4 HE1 HIS 4 81.319 6.248 -17.799 37 H GLU 5 HN GLU 5 79.677 3.256 -21.242 38 HA GLU 5 HA GLU 5 77.041 2.307 -21.439 39 HB2 GLU 5 HB2 GLU 5 79.124 1.716 -19.325 40 HB3 GLU 5 HB1 GLU 5 77.636 0.802 -19.560 41 HG2 GLU 5 HG2 GLU 5 79.770 1.177 -21.672 42 HG3 GLU 5 HG1 GLU 5 79.596 -0.260 -20.667 43 H GLY 6 HN GLY 6 75.236 2.792 -20.403 44 HA2 GLY 6 HA2 GLY 6 75.065 5.005 -18.654 45 HA3 GLY 6 HA1 GLY 6 73.775 3.857 -18.988 46 H ALA 7 HN ALA 7 74.972 1.488 -18.057 47 HA ALA 7 HA ALA 7 74.450 1.683 -15.268 48 HB1 ALA 7 HB1 ALA 7 74.046 -0.372 -16.555 49 HB2 ALA 7 HB2 ALA 7 75.135 -0.681 -15.205 50 HB3 ALA 7 HB3 ALA 7 75.777 -0.540 -16.840 51 H LEU 8 HN LEU 8 75.819 1.905 -13.530 52 HA LEU 8 HA LEU 8 78.627 2.552 -14.152 53 HB2 LEU 8 HB2 LEU 8 77.254 4.152 -12.815 54 HB3 LEU 8 HB1 LEU 8 77.117 2.920 -11.562 55 HG LEU 8 HG LEU 8 79.583 2.876 -11.325 56 HD11 LEU 8 HD11 LEU 8 80.672 5.056 -12.476 57 HD12 LEU 8 HD12 LEU 8 79.417 4.734 -13.671 58 HD13 LEU 8 HD13 LEU 8 80.614 3.497 -13.298 59 HD21 LEU 8 HD21 LEU 8 78.323 5.627 -11.138 60 HD22 LEU 8 HD22 LEU 8 79.824 5.157 -10.339 61 HD23 LEU 8 HD23 LEU 8 78.303 4.381 -9.889 62 H THR 9 HN THR 9 80.268 1.257 -13.639 63 HA THR 9 HA THR 9 79.710 -1.120 -11.981 64 HB THR 9 HB THR 9 82.118 -0.508 -13.723 65 HG1 THR 9 HG1 THR 9 79.884 -2.203 -14.144 66 HG21 THR 9 HG21 THR 9 82.822 -2.715 -13.305 67 HG22 THR 9 HG22 THR 9 81.232 -3.211 -12.728 68 HG23 THR 9 HG23 THR 9 82.256 -2.195 -11.718 69 H GLY 10 HN GLY 10 80.329 -1.135 -9.934 70 HA2 GLY 10 HA2 GLY 10 82.750 -0.363 -8.868 71 HA3 GLY 10 HA1 GLY 10 81.725 1.066 -8.777 72 H VAL 11 HN VAL 11 79.563 -1.352 -8.623 73 HA VAL 11 HA VAL 11 79.416 -1.198 -5.700 74 HB VAL 11 HB VAL 11 77.477 -2.602 -7.555 75 HG11 VAL 11 HG11 VAL 11 75.935 -2.397 -5.747 76 HG12 VAL 11 HG12 VAL 11 76.973 -1.258 -4.887 77 HG13 VAL 11 HG13 VAL 11 77.443 -2.954 -5.025 78 HG21 VAL 11 HG21 VAL 11 77.473 0.311 -6.670 79 HG22 VAL 11 HG22 VAL 11 76.187 -0.494 -7.571 80 HG23 VAL 11 HG23 VAL 11 77.771 -0.264 -8.309 81 H THR 12 HN THR 12 80.031 -2.786 -4.381 82 HA THR 12 HA THR 12 80.099 -5.561 -5.301 83 HB THR 12 HB THR 12 82.367 -4.807 -5.851 84 HG1 THR 12 HG1 THR 12 82.534 -6.815 -5.174 85 HG21 THR 12 HG21 THR 12 82.553 -4.071 -2.913 86 HG22 THR 12 HG22 THR 12 82.514 -2.924 -4.254 87 HG23 THR 12 HG23 THR 12 83.878 -4.025 -4.074 88 H THR 13 HN THR 13 78.647 -3.807 -3.372 89 HA THR 13 HA THR 13 79.426 -4.735 -0.744 90 HB THR 13 HB THR 13 78.390 -2.593 -0.818 91 HG1 THR 13 HG1 THR 13 76.514 -2.956 0.415 92 HG21 THR 13 HG21 THR 13 75.886 -2.575 -1.695 93 HG22 THR 13 HG22 THR 13 76.439 -3.934 -2.671 94 HG23 THR 13 HG23 THR 13 77.229 -2.363 -2.812 95 H ASP 14 HN ASP 14 78.162 -6.238 0.536 96 HA ASP 14 HA ASP 14 76.087 -7.769 -0.799 97 HB2 ASP 14 HB2 ASP 14 77.376 -9.920 -0.566 98 HB3 ASP 14 HB1 ASP 14 77.979 -8.825 -1.809 99 H GLN 15 HN GLN 15 78.441 -7.981 1.885 100 HA GLN 15 HA GLN 15 76.218 -8.818 3.676 101 HB2 GLN 15 HB2 GLN 15 78.059 -9.757 5.099 102 HB3 GLN 15 HB1 GLN 15 77.913 -10.527 3.521 103 HG2 GLN 15 HG2 GLN 15 79.712 -8.987 2.674 104 HG3 GLN 15 HG1 GLN 15 79.922 -8.413 4.328 105 HE21 GLN 15 HE21 GLN 15 81.575 -10.276 2.338 106 HE22 GLN 15 HE22 GLN 15 82.052 -11.535 3.371 107 H LYS 16 HN LYS 16 76.179 -7.948 5.812 108 HA LYS 16 HA LYS 16 77.586 -5.357 6.154 109 HB2 LYS 16 HB2 LYS 16 75.468 -4.633 7.355 110 HB3 LYS 16 HB1 LYS 16 75.317 -4.816 5.610 111 HG2 LYS 16 HG2 LYS 16 74.688 -7.204 7.333 112 HG3 LYS 16 HG1 LYS 16 73.517 -5.892 7.279 113 HD2 LYS 16 HD2 LYS 16 73.435 -6.054 4.813 114 HD3 LYS 16 HD1 LYS 16 74.582 -7.386 4.852 115 HE2 LYS 16 HE2 LYS 16 71.866 -7.397 6.202 116 HE3 LYS 16 HE1 LYS 16 72.241 -8.188 4.674 117 HZ1 LYS 16 HZ1 LYS 16 72.323 -9.600 6.758 118 HZ2 LYS 16 HZ2 LYS 16 73.756 -8.776 7.145 119 HZ3 LYS 16 HZ3 LYS 16 73.662 -9.699 5.721 120 H GLU 17 HN GLU 17 77.535 -8.376 7.210 121 HA GLU 17 HA GLU 17 77.193 -8.108 10.032 122 HB2 GLU 17 HB2 GLU 17 78.514 -10.210 8.308 123 HB3 GLU 17 HB1 GLU 17 78.385 -10.351 10.060 124 HG2 GLU 17 HG2 GLU 17 76.034 -9.954 8.189 125 HG3 GLU 17 HG1 GLU 17 76.533 -11.510 8.847 126 H LYS 18 HN LYS 18 78.546 -7.460 11.547 127 HA LYS 18 HA LYS 18 81.030 -6.223 10.905 128 HB2 LYS 18 HB2 LYS 18 79.921 -7.084 13.593 129 HB3 LYS 18 HB1 LYS 18 81.297 -6.011 13.356 130 HG2 LYS 18 HG2 LYS 18 78.889 -5.147 11.856 131 HG3 LYS 18 HG1 LYS 18 78.631 -5.189 13.595 132 HD2 LYS 18 HD2 LYS 18 81.088 -3.864 12.440 133 HD3 LYS 18 HD1 LYS 18 79.555 -3.000 12.539 134 HE2 LYS 18 HE2 LYS 18 79.461 -3.309 14.941 135 HE3 LYS 18 HE1 LYS 18 80.879 -4.354 14.910 136 HZ1 LYS 18 HZ1 LYS 18 82.270 -2.616 14.682 137 HZ2 LYS 18 HZ2 LYS 18 81.000 -1.759 15.415 138 HZ3 LYS 18 HZ3 LYS 18 81.197 -1.717 13.729 139 H GLN 19 HN GLN 19 83.093 -7.002 10.976 140 HA GLN 19 HA GLN 19 83.540 -9.727 12.048 141 HB2 GLN 19 HB2 GLN 19 84.509 -8.671 9.377 142 HB3 GLN 19 HB1 GLN 19 84.967 -10.217 10.091 143 HG2 GLN 19 HG2 GLN 19 82.113 -9.408 9.454 144 HG3 GLN 19 HG1 GLN 19 83.117 -10.401 8.404 145 HE21 GLN 19 HE21 GLN 19 80.604 -10.869 10.318 146 HE22 GLN 19 HE22 GLN 19 81.014 -12.331 11.077 147 H LYS 20 HN LYS 20 86.138 -10.076 11.732 148 HA LYS 20 HA LYS 20 87.307 -8.127 13.507 149 HB2 LYS 20 HB2 LYS 20 87.686 -10.627 13.647 150 HB3 LYS 20 HB1 LYS 20 88.673 -10.475 12.197 151 HG2 LYS 20 HG2 LYS 20 90.298 -10.284 13.859 152 HG3 LYS 20 HG1 LYS 20 89.912 -8.590 13.574 153 HD2 LYS 20 HD2 LYS 20 88.374 -8.609 15.510 154 HD3 LYS 20 HD1 LYS 20 88.722 -10.317 15.775 155 HE2 LYS 20 HE2 LYS 20 90.156 -9.195 17.289 156 HE3 LYS 20 HE1 LYS 20 91.202 -9.593 15.928 157 HZ1 LYS 20 HZ1 LYS 20 89.790 -7.035 15.844 158 HZ2 LYS 20 HZ2 LYS 20 91.339 -7.441 15.277 159 HZ3 LYS 20 HZ3 LYS 20 91.083 -7.176 16.936 160 HA PRO 21 HA PRO 21 88.964 -5.780 10.011 161 HB2 PRO 21 HB2 PRO 21 90.895 -4.426 11.696 162 HB3 PRO 21 HB1 PRO 21 89.410 -3.773 10.994 163 HG2 PRO 21 HG2 PRO 21 89.911 -4.459 13.722 164 HG3 PRO 21 HG1 PRO 21 88.422 -3.824 13.013 165 HD2 PRO 21 HD2 PRO 21 88.918 -6.503 13.974 166 HD3 PRO 21 HD1 PRO 21 87.424 -5.850 13.274 167 H ASP 22 HN ASP 22 91.108 -5.426 8.992 168 HA ASP 22 HA ASP 22 93.529 -6.452 9.691 169 HB2 ASP 22 HB2 ASP 22 93.498 -8.677 8.364 170 HB3 ASP 22 HB1 ASP 22 92.842 -8.683 9.992 171 H ILE 23 HN ILE 23 94.443 -4.998 8.357 172 HA ILE 23 HA ILE 23 93.527 -4.633 5.647 173 HB ILE 23 HB ILE 23 95.418 -3.042 5.464 174 HG12 ILE 23 HG12 ILE 23 95.978 -3.696 8.359 175 HG13 ILE 23 HG11 ILE 23 96.908 -4.385 7.041 176 HG21 ILE 23 HG21 ILE 23 93.593 -2.862 7.871 177 HG22 ILE 23 HG22 ILE 23 93.400 -2.098 6.293 178 HG23 ILE 23 HG23 ILE 23 94.654 -1.535 7.392 179 HD11 ILE 23 HD11 ILE 23 96.512 -1.412 7.411 180 HD12 ILE 23 HD12 ILE 23 97.627 -2.212 6.301 181 HD13 ILE 23 HD13 ILE 23 97.908 -2.288 8.041 182 H VAL 24 HN VAL 24 94.931 -4.766 3.795 183 HA VAL 24 HA VAL 24 96.863 -7.013 3.906 184 HB VAL 24 HB VAL 24 94.952 -7.727 2.614 185 HG11 VAL 24 HG11 VAL 24 94.124 -6.451 0.700 186 HG12 VAL 24 HG12 VAL 24 95.319 -5.193 1.007 187 HG13 VAL 24 HG13 VAL 24 94.021 -5.479 2.167 188 HG21 VAL 24 HG21 VAL 24 97.354 -8.073 1.739 189 HG22 VAL 24 HG22 VAL 24 96.981 -6.804 0.572 190 HG23 VAL 24 HG23 VAL 24 96.042 -8.296 0.584 191 H LEU 25 HN LEU 25 98.846 -6.618 3.062 192 HA LEU 25 HA LEU 25 99.359 -4.259 1.439 193 HB2 LEU 25 HB2 LEU 25 101.197 -3.564 3.129 194 HB3 LEU 25 HB1 LEU 25 99.538 -3.137 3.491 195 HG LEU 25 HG LEU 25 100.864 -4.084 5.431 196 HD11 LEU 25 HD11 LEU 25 99.013 -5.007 6.396 197 HD12 LEU 25 HD12 LEU 25 98.605 -5.996 5.017 198 HD13 LEU 25 HD13 LEU 25 98.225 -4.274 5.007 199 HD21 LEU 25 HD21 LEU 25 100.491 -6.749 4.058 200 HD22 LEU 25 HD22 LEU 25 101.385 -6.399 5.535 201 HD23 LEU 25 HD23 LEU 25 102.005 -5.841 3.986 202 H TYR 26 HN TYR 26 102.220 -4.290 1.968 203 HA TYR 26 HA TYR 26 102.950 -6.884 0.709 204 HB2 TYR 26 HB2 TYR 26 103.968 -4.072 0.370 205 HB3 TYR 26 HB1 TYR 26 105.054 -5.422 0.040 206 HD1 TYR 26 HD1 TYR 26 101.430 -4.598 -0.607 207 HD2 TYR 26 HD2 TYR 26 105.144 -6.065 -2.208 208 HE1 TYR 26 HE1 TYR 26 100.354 -4.926 -2.817 209 HE2 TYR 26 HE2 TYR 26 104.063 -6.387 -4.415 210 HH TYR 26 HH TYR 26 101.440 -6.801 -5.134 211 HA PRO 27 HA PRO 27 105.053 -6.993 4.814 212 HB2 PRO 27 HB2 PRO 27 105.260 -9.876 4.591 213 HB3 PRO 27 HB1 PRO 27 104.260 -8.931 5.703 214 HG2 PRO 27 HG2 PRO 27 103.350 -10.467 3.532 215 HG3 PRO 27 HG1 PRO 27 102.406 -9.307 4.474 216 HD2 PRO 27 HD2 PRO 27 103.512 -9.020 1.747 217 HD3 PRO 27 HD1 PRO 27 102.223 -8.095 2.543 218 H GLU 28 HN GLU 28 105.901 -8.313 1.739 219 HA GLU 28 HA GLU 28 108.676 -8.838 2.464 220 HB2 GLU 28 HB2 GLU 28 107.415 -10.327 0.928 221 HB3 GLU 28 HB1 GLU 28 107.278 -8.988 -0.209 222 HG2 GLU 28 HG2 GLU 28 109.770 -8.854 -0.294 223 HG3 GLU 28 HG1 GLU 28 109.851 -10.271 0.752 224 HA PRO 29 HA PRO 29 109.606 -4.548 1.303 225 HB2 PRO 29 HB2 PRO 29 112.435 -5.145 1.036 226 HB3 PRO 29 HB1 PRO 29 111.628 -4.234 2.318 227 HG2 PRO 29 HG2 PRO 29 112.736 -6.851 2.481 228 HG3 PRO 29 HG1 PRO 29 111.867 -5.960 3.735 229 HD2 PRO 29 HD2 PRO 29 110.938 -8.242 2.213 230 HD3 PRO 29 HD1 PRO 29 110.102 -7.378 3.518 231 H VAL 30 HN VAL 30 110.124 -3.474 -0.661 232 HA VAL 30 HA VAL 30 110.886 -5.221 -2.940 233 HB VAL 30 HB VAL 30 108.635 -3.200 -2.859 234 HG11 VAL 30 HG11 VAL 30 110.136 -4.439 -5.164 235 HG12 VAL 30 HG12 VAL 30 109.604 -2.773 -4.953 236 HG13 VAL 30 HG13 VAL 30 108.430 -4.028 -5.339 237 HG21 VAL 30 HG21 VAL 30 107.703 -5.230 -2.162 238 HG22 VAL 30 HG22 VAL 30 108.830 -6.203 -3.105 239 HG23 VAL 30 HG23 VAL 30 107.504 -5.365 -3.907 240 H ARG 31 HN ARG 31 112.314 -4.427 -4.331 241 HA ARG 31 HA ARG 31 113.185 -1.609 -4.039 242 HB2 ARG 31 HB2 ARG 31 114.810 -3.037 -2.954 243 HB3 ARG 31 HB1 ARG 31 114.839 -4.127 -4.337 244 HG2 ARG 31 HG2 ARG 31 115.831 -2.400 -5.740 245 HG3 ARG 31 HG1 ARG 31 115.688 -1.220 -4.440 246 HD2 ARG 31 HD2 ARG 31 117.965 -2.077 -4.515 247 HD3 ARG 31 HD1 ARG 31 117.180 -2.624 -3.039 248 HE ARG 31 HE ARG 31 116.829 -4.565 -5.077 249 HH11 ARG 31 HH11 ARG 31 118.582 -3.791 -2.289 250 HH12 ARG 31 HH12 ARG 31 119.844 -4.949 -2.548 251 HH21 ARG 31 HH21 ARG 31 118.742 -5.835 -5.721 252 HH22 ARG 31 HH22 ARG 31 119.938 -6.105 -4.498 253 H VAL 32 HN VAL 32 113.438 -0.494 -5.926 254 HA VAL 32 HA VAL 32 113.488 -2.014 -8.465 255 HB VAL 32 HB VAL 32 111.174 -1.005 -7.745 256 HG11 VAL 32 HG11 VAL 32 110.790 1.277 -8.058 257 HG12 VAL 32 HG12 VAL 32 112.227 1.496 -9.056 258 HG13 VAL 32 HG13 VAL 32 112.385 1.269 -7.320 259 HG21 VAL 32 HG21 VAL 32 111.125 -1.879 -9.885 260 HG22 VAL 32 HG22 VAL 32 112.546 -0.979 -10.401 261 HG23 VAL 32 HG23 VAL 32 110.980 -0.173 -10.303 262 H LEU 33 HN LEU 33 114.489 -0.911 -10.213 263 HA LEU 33 HA LEU 33 116.541 1.005 -9.347 264 HB2 LEU 33 HB2 LEU 33 116.298 -0.460 -11.988 265 HB3 LEU 33 HB1 LEU 33 117.709 0.398 -11.373 266 HG LEU 33 HG LEU 33 116.460 -2.065 -10.114 267 HD11 LEU 33 HD11 LEU 33 119.055 -1.693 -11.644 268 HD12 LEU 33 HD12 LEU 33 117.634 -2.568 -12.214 269 HD13 LEU 33 HD13 LEU 33 118.554 -3.178 -10.839 270 HD21 LEU 33 HD21 LEU 33 117.429 -1.008 -8.293 271 HD22 LEU 33 HD22 LEU 33 118.636 -0.175 -9.269 272 HD23 LEU 33 HD23 LEU 33 118.831 -1.886 -8.898 273 H GLU 34 HN GLU 34 116.671 3.066 -10.077 274 HA GLU 34 HA GLU 34 114.592 4.592 -10.921 275 HB2 GLU 34 HB2 GLU 34 116.746 5.571 -10.312 276 HB3 GLU 34 HB1 GLU 34 117.480 4.914 -11.772 277 HG2 GLU 34 HG2 GLU 34 115.080 6.723 -11.983 278 HG3 GLU 34 HG1 GLU 34 116.686 7.409 -11.772 279 H GLY 35 HN GLY 35 113.361 4.796 -12.679 280 HA2 GLY 35 HA2 GLY 35 113.116 5.093 -15.052 281 HA3 GLY 35 HA1 GLY 35 114.465 3.990 -15.312 282 H GLU 36 HN GLU 36 112.676 2.744 -12.863 283 HA GLU 36 HA GLU 36 111.017 1.092 -14.680 284 HB2 GLU 36 HB2 GLU 36 112.606 0.328 -12.244 285 HB3 GLU 36 HB1 GLU 36 111.322 -0.696 -12.883 286 HG2 GLU 36 HG2 GLU 36 113.674 0.307 -14.503 287 HG3 GLU 36 HG1 GLU 36 113.609 -1.281 -13.744 288 H THR 37 HN THR 37 108.981 0.939 -14.269 289 HA THR 37 HA THR 37 107.829 2.524 -12.114 290 HB THR 37 HB THR 37 105.775 2.290 -13.280 291 HG1 THR 37 HG1 THR 37 106.971 -0.052 -14.104 292 HG21 THR 37 HG21 THR 37 107.687 3.549 -14.481 293 HG22 THR 37 HG22 THR 37 106.288 3.087 -15.451 294 HG23 THR 37 HG23 THR 37 107.772 2.140 -15.540 295 H ALA 38 HN ALA 38 106.370 1.709 -10.565 296 HA ALA 38 HA ALA 38 106.610 -1.205 -10.015 297 HB1 ALA 38 HB1 ALA 38 106.469 1.140 -8.111 298 HB2 ALA 38 HB2 ALA 38 107.831 0.047 -8.347 299 HB3 ALA 38 HB3 ALA 38 106.342 -0.546 -7.616 300 H ARG 39 HN ARG 39 104.815 -2.198 -8.949 301 HA ARG 39 HA ARG 39 102.261 -0.713 -9.116 302 HB2 ARG 39 HB2 ARG 39 102.844 -3.455 -10.250 303 HB3 ARG 39 HB1 ARG 39 101.217 -2.816 -10.005 304 HG2 ARG 39 HG2 ARG 39 101.732 -0.905 -11.463 305 HG3 ARG 39 HG1 ARG 39 103.371 -1.514 -11.694 306 HD2 ARG 39 HD2 ARG 39 102.477 -3.574 -12.697 307 HD3 ARG 39 HD1 ARG 39 100.834 -2.983 -12.459 308 HE ARG 39 HE ARG 39 102.719 -2.108 -14.493 309 HH11 ARG 39 HH11 ARG 39 99.498 -2.475 -13.939 310 HH12 ARG 39 HH12 ARG 39 98.989 -0.935 -14.552 311 HH21 ARG 39 HH21 ARG 39 102.213 0.328 -14.789 312 HH22 ARG 39 HH22 ARG 39 100.531 0.648 -15.052 313 H PHE 40 HN PHE 40 101.510 -0.643 -7.127 314 HA PHE 40 HA PHE 40 101.645 -3.076 -5.416 315 HB2 PHE 40 HB2 PHE 40 101.878 -0.178 -4.600 316 HB3 PHE 40 HB1 PHE 40 101.700 -1.507 -3.471 317 HD1 PHE 40 HD1 PHE 40 103.998 0.460 -5.398 318 HD2 PHE 40 HD2 PHE 40 103.491 -3.362 -3.510 319 HE1 PHE 40 HE1 PHE 40 106.453 0.145 -5.385 320 HE2 PHE 40 HE2 PHE 40 105.948 -3.682 -3.509 321 HZ PHE 40 HZ PHE 40 107.431 -1.931 -4.450 322 H ARG 41 HN ARG 41 99.795 -3.501 -4.202 323 HA ARG 41 HA ARG 41 97.470 -1.706 -4.572 324 HB2 ARG 41 HB2 ARG 41 97.540 -4.720 -4.931 325 HB3 ARG 41 HB1 ARG 41 96.055 -3.776 -4.779 326 HG2 ARG 41 HG2 ARG 41 96.655 -2.450 -6.740 327 HG3 ARG 41 HG1 ARG 41 98.188 -3.306 -6.878 328 HD2 ARG 41 HD2 ARG 41 96.980 -5.415 -7.290 329 HD3 ARG 41 HD1 ARG 41 95.441 -4.571 -7.126 330 HE ARG 41 HE ARG 41 96.876 -3.210 -9.085 331 HH11 ARG 41 HH11 ARG 41 97.903 -4.949 -10.743 332 HH12 ARG 41 HH12 ARG 41 96.655 -5.905 -11.473 333 HH21 ARG 41 HH21 ARG 41 94.259 -5.068 -9.105 334 HH22 ARG 41 HH22 ARG 41 94.590 -5.967 -10.549 335 H CYS 42 HN CYS 42 96.064 -1.620 -2.788 336 HA CYS 42 HA CYS 42 96.500 -3.406 -0.553 337 HB2 CYS 42 HB2 CYS 42 96.833 -1.202 0.924 338 HB3 CYS 42 HB1 CYS 42 98.199 -2.074 0.249 339 HG CYS 42 HG CYS 42 98.644 -0.217 -1.355 340 H ARG 43 HN ARG 43 94.743 -3.544 0.700 341 HA ARG 43 HA ARG 43 92.571 -1.577 0.448 342 HB2 ARG 43 HB2 ARG 43 92.330 -4.542 -0.081 343 HB3 ARG 43 HB1 ARG 43 90.955 -3.460 0.155 344 HG2 ARG 43 HG2 ARG 43 91.704 -2.090 -1.751 345 HG3 ARG 43 HG1 ARG 43 93.068 -3.182 -1.998 346 HD2 ARG 43 HD2 ARG 43 90.158 -4.018 -2.089 347 HD3 ARG 43 HD1 ARG 43 91.141 -3.677 -3.508 348 HE ARG 43 HE ARG 43 91.291 -6.039 -1.816 349 HH11 ARG 43 HH11 ARG 43 92.780 -7.625 -2.474 350 HH12 ARG 43 HH12 ARG 43 93.862 -7.296 -3.786 351 HH21 ARG 43 HH21 ARG 43 92.734 -4.052 -4.256 352 HH22 ARG 43 HH22 ARG 43 93.836 -5.275 -4.792 353 H VAL 44 HN VAL 44 90.604 -2.564 2.009 354 HA VAL 44 HA VAL 44 91.948 -3.387 4.507 355 HB VAL 44 HB VAL 44 89.354 -1.874 4.197 356 HG11 VAL 44 HG11 VAL 44 91.151 -2.569 6.532 357 HG12 VAL 44 HG12 VAL 44 89.447 -2.959 6.320 358 HG13 VAL 44 HG13 VAL 44 89.938 -1.296 6.634 359 HG21 VAL 44 HG21 VAL 44 91.142 -0.449 3.341 360 HG22 VAL 44 HG22 VAL 44 92.133 -0.794 4.759 361 HG23 VAL 44 HG23 VAL 44 90.643 0.137 4.928 362 H THR 45 HN THR 45 90.423 -4.765 5.865 363 HA THR 45 HA THR 45 88.293 -6.069 4.330 364 HB THR 45 HB THR 45 89.145 -8.253 4.432 365 HG1 THR 45 HG1 THR 45 90.035 -7.652 6.661 366 HG21 THR 45 HG21 THR 45 90.321 -6.875 2.739 367 HG22 THR 45 HG22 THR 45 91.353 -8.155 3.376 368 HG23 THR 45 HG23 THR 45 91.565 -6.496 3.930 369 H GLY 46 HN GLY 46 86.809 -7.175 5.546 370 HA2 GLY 46 HA2 GLY 46 85.753 -8.009 7.434 371 HA3 GLY 46 HA1 GLY 46 87.079 -7.411 8.420 372 H TYR 47 HN TYR 47 86.338 -4.830 6.559 373 HA TYR 47 HA TYR 47 84.070 -3.956 8.201 374 HB2 TYR 47 HB2 TYR 47 86.504 -3.328 9.067 375 HB3 TYR 47 HB1 TYR 47 86.320 -2.017 7.914 376 HD1 TYR 47 HD1 TYR 47 84.599 -3.748 10.706 377 HD2 TYR 47 HD2 TYR 47 85.037 -0.116 8.474 378 HE1 TYR 47 HE1 TYR 47 83.152 -2.562 12.351 379 HE2 TYR 47 HE2 TYR 47 83.592 1.076 10.104 380 HH TYR 47 HH TYR 47 82.663 -0.374 13.116 381 HA PRO 48 HA PRO 48 82.923 -2.360 4.149 382 HB2 PRO 48 HB2 PRO 48 80.939 -0.554 5.240 383 HB3 PRO 48 HB1 PRO 48 80.676 -2.100 4.424 384 HG2 PRO 48 HG2 PRO 48 80.379 -1.515 7.201 385 HG3 PRO 48 HG1 PRO 48 80.139 -3.064 6.383 386 HD2 PRO 48 HD2 PRO 48 82.315 -2.294 8.139 387 HD3 PRO 48 HD1 PRO 48 82.021 -3.862 7.359 388 H GLN 49 HN GLN 49 82.896 -0.288 3.002 389 HA GLN 49 HA GLN 49 84.756 1.346 2.675 390 HB2 GLN 49 HB2 GLN 49 83.244 3.454 2.921 391 HB3 GLN 49 HB1 GLN 49 82.771 2.189 1.786 392 HG2 GLN 49 HG2 GLN 49 81.209 1.257 3.367 393 HG3 GLN 49 HG1 GLN 49 81.787 2.326 4.644 394 HE21 GLN 49 HE21 GLN 49 80.744 2.839 1.220 395 HE22 GLN 49 HE22 GLN 49 79.685 4.113 1.589 396 HA PRO 50 HA PRO 50 85.805 2.503 7.031 397 HB2 PRO 50 HB2 PRO 50 88.530 1.621 6.548 398 HB3 PRO 50 HB1 PRO 50 87.333 0.911 7.638 399 HG2 PRO 50 HG2 PRO 50 88.271 -0.294 5.354 400 HG3 PRO 50 HG1 PRO 50 86.745 -0.693 6.137 401 HD2 PRO 50 HD2 PRO 50 87.226 1.001 3.713 402 HD3 PRO 50 HD1 PRO 50 85.889 -0.122 4.069 403 H LYS 51 HN LYS 51 87.391 4.224 7.741 404 HA LYS 51 HA LYS 51 88.124 5.985 5.474 405 HB2 LYS 51 HB2 LYS 51 87.692 6.559 8.419 406 HB3 LYS 51 HB1 LYS 51 88.152 7.760 7.211 407 HG2 LYS 51 HG2 LYS 51 86.089 7.274 5.948 408 HG3 LYS 51 HG1 LYS 51 85.623 6.089 7.169 409 HD2 LYS 51 HD2 LYS 51 85.589 7.865 8.884 410 HD3 LYS 51 HD1 LYS 51 86.058 9.050 7.664 411 HE2 LYS 51 HE2 LYS 51 83.703 9.252 7.782 412 HE3 LYS 51 HE1 LYS 51 83.980 8.253 6.357 413 HZ1 LYS 51 HZ1 LYS 51 82.554 7.616 8.700 414 HZ2 LYS 51 HZ2 LYS 51 83.861 6.543 8.544 415 HZ3 LYS 51 HZ3 LYS 51 82.732 6.699 7.285 416 H VAL 52 HN VAL 52 90.224 5.400 4.917 417 HA VAL 52 HA VAL 52 92.228 5.338 7.109 418 HB VAL 52 HB VAL 52 93.335 3.571 5.775 419 HG11 VAL 52 HG11 VAL 52 91.548 3.092 7.531 420 HG12 VAL 52 HG12 VAL 52 91.775 1.820 6.339 421 HG13 VAL 52 HG13 VAL 52 90.408 2.925 6.205 422 HG21 VAL 52 HG21 VAL 52 92.005 2.570 3.915 423 HG22 VAL 52 HG22 VAL 52 92.544 4.213 3.569 424 HG23 VAL 52 HG23 VAL 52 90.877 3.914 4.038 425 H ASN 53 HN ASN 53 94.442 5.706 6.365 426 HA ASN 53 HA ASN 53 94.781 7.293 3.905 427 HB2 ASN 53 HB2 ASN 53 94.419 8.930 5.743 428 HB3 ASN 53 HB1 ASN 53 95.741 8.188 6.640 429 HD21 ASN 53 HD21 ASN 53 95.142 9.606 3.365 430 HD22 ASN 53 HD22 ASN 53 96.674 10.327 3.248 431 H TRP 54 HN TRP 54 97.356 7.746 3.740 432 HA TRP 54 HA TRP 54 98.818 5.462 4.912 433 HB2 TRP 54 HB2 TRP 54 99.119 5.956 1.970 434 HB3 TRP 54 HB1 TRP 54 99.437 4.493 2.901 435 HD1 TRP 54 HD1 TRP 54 96.895 6.153 0.841 436 HE1 TRP 54 HE1 TRP 54 94.718 4.783 0.790 437 HE3 TRP 54 HE3 TRP 54 97.800 2.960 4.698 438 HZ2 TRP 54 HZ2 TRP 54 93.527 2.626 2.202 439 HZ3 TRP 54 HZ3 TRP 54 96.119 1.254 5.335 440 HH2 TRP 54 HH2 TRP 54 93.979 1.087 4.098 441 H TYR 55 HN TYR 55 101.147 5.550 4.416 442 HA TYR 55 HA TYR 55 102.162 8.330 4.240 443 HB2 TYR 55 HB2 TYR 55 103.004 6.057 6.045 444 HB3 TYR 55 HB1 TYR 55 103.976 7.502 5.803 445 HD1 TYR 55 HD1 TYR 55 100.408 6.574 6.610 446 HD2 TYR 55 HD2 TYR 55 103.705 9.242 7.336 447 HE1 TYR 55 HE1 TYR 55 99.075 7.761 8.327 448 HE2 TYR 55 HE2 TYR 55 102.366 10.418 9.056 449 HH TYR 55 HH TYR 55 99.678 10.701 9.409 450 H LEU 56 HN LEU 56 103.170 8.422 2.250 451 HA LEU 56 HA LEU 56 104.598 6.073 1.223 452 HB2 LEU 56 HB2 LEU 56 103.909 8.797 0.121 453 HB3 LEU 56 HB1 LEU 56 105.124 7.793 -0.671 454 HG LEU 56 HG LEU 56 103.460 5.961 -0.864 455 HD11 LEU 56 HD11 LEU 56 101.714 8.017 0.505 456 HD12 LEU 56 HD12 LEU 56 102.003 6.342 0.978 457 HD13 LEU 56 HD13 LEU 56 101.027 6.701 -0.447 458 HD21 LEU 56 HD21 LEU 56 103.757 7.772 -2.629 459 HD22 LEU 56 HD22 LEU 56 102.341 8.566 -1.943 460 HD23 LEU 56 HD23 LEU 56 102.191 6.962 -2.656 461 H ASN 57 HN ASN 57 106.870 5.889 1.218 462 HA ASN 57 HA ASN 57 108.967 6.293 1.991 463 HB2 ASN 57 HB2 ASN 57 108.165 8.956 0.826 464 HB3 ASN 57 HB1 ASN 57 109.806 8.601 1.359 465 HD21 ASN 57 HD21 ASN 57 109.762 5.777 0.462 466 HD22 ASN 57 HD22 ASN 57 109.808 5.822 -1.234 467 H GLY 58 HN GLY 58 106.446 7.313 3.706 468 HA2 GLY 58 HA2 GLY 58 106.594 7.666 6.079 469 HA3 GLY 58 HA1 GLY 58 108.114 8.519 5.829 470 H GLN 59 HN GLN 59 105.465 9.154 3.654 471 HA GLN 59 HA GLN 59 104.924 11.755 4.991 472 HB2 GLN 59 HB2 GLN 59 105.262 11.162 2.043 473 HB3 GLN 59 HB1 GLN 59 104.637 12.686 2.677 474 HG2 GLN 59 HG2 GLN 59 106.712 13.056 3.920 475 HG3 GLN 59 HG1 GLN 59 107.339 11.499 3.374 476 HE21 GLN 59 HE21 GLN 59 108.234 14.414 2.813 477 HE22 GLN 59 HE22 GLN 59 108.347 14.475 1.120 478 H LEU 60 HN LEU 60 102.871 11.903 5.630 479 HA LEU 60 HA LEU 60 100.813 10.130 4.857 480 HB2 LEU 60 HB2 LEU 60 99.408 11.386 6.301 481 HB3 LEU 60 HB1 LEU 60 101.006 11.419 7.025 482 HG LEU 60 HG LEU 60 99.834 13.652 5.332 483 HD11 LEU 60 HD11 LEU 60 98.768 13.280 7.572 484 HD12 LEU 60 HD12 LEU 60 99.550 14.848 7.389 485 HD13 LEU 60 HD13 LEU 60 100.344 13.568 8.307 486 HD21 LEU 60 HD21 LEU 60 102.220 13.728 5.124 487 HD22 LEU 60 HD22 LEU 60 102.453 13.296 6.817 488 HD23 LEU 60 HD23 LEU 60 101.823 14.887 6.390 489 H ILE 61 HN ILE 61 99.038 10.360 3.497 490 HA ILE 61 HA ILE 61 97.685 11.212 1.921 491 HB ILE 61 HB ILE 61 98.373 13.484 3.274 492 HG12 ILE 61 HG12 ILE 61 96.114 12.890 2.648 493 HG13 ILE 61 HG11 ILE 61 96.447 14.510 2.043 494 HG21 ILE 61 HG21 ILE 61 98.774 14.083 0.340 495 HG22 ILE 61 HG22 ILE 61 100.045 14.144 1.554 496 HG23 ILE 61 HG23 ILE 61 98.697 15.265 1.639 497 HD11 ILE 61 HD11 ILE 61 95.671 13.696 0.060 498 HD12 ILE 61 HD12 ILE 61 95.896 12.020 0.549 499 HD13 ILE 61 HD13 ILE 61 97.256 12.945 -0.090 500 H ARG 62 HN ARG 62 97.879 10.336 0.121 501 HA ARG 62 HA ARG 62 100.327 10.551 -1.498 502 HB2 ARG 62 HB2 ARG 62 99.361 8.297 -1.294 503 HB3 ARG 62 HB1 ARG 62 97.828 8.882 -1.947 504 HG2 ARG 62 HG2 ARG 62 98.856 9.420 -4.075 505 HG3 ARG 62 HG1 ARG 62 100.461 9.099 -3.428 506 HD2 ARG 62 HD2 ARG 62 99.908 6.739 -3.163 507 HD3 ARG 62 HD1 ARG 62 98.260 7.038 -3.700 508 HE ARG 62 HE ARG 62 99.043 7.220 -5.906 509 HH11 ARG 62 HH11 ARG 62 101.701 8.536 -4.499 510 HH12 ARG 62 HH12 ARG 62 102.886 7.583 -5.320 511 HH21 ARG 62 HH21 ARG 62 100.599 5.351 -6.633 512 HH22 ARG 62 HH22 ARG 62 102.269 5.797 -6.526 513 H LYS 63 HN LYS 63 100.280 11.315 -3.661 514 HA LYS 63 HA LYS 63 98.599 13.571 -4.088 515 HB2 LYS 63 HB2 LYS 63 100.117 12.137 -6.250 516 HB3 LYS 63 HB1 LYS 63 99.751 13.854 -6.133 517 HG2 LYS 63 HG2 LYS 63 101.635 12.288 -4.345 518 HG3 LYS 63 HG1 LYS 63 102.103 13.464 -5.568 519 HD2 LYS 63 HD2 LYS 63 100.530 14.034 -3.033 520 HD3 LYS 63 HD1 LYS 63 102.192 14.498 -3.364 521 HE2 LYS 63 HE2 LYS 63 101.214 15.727 -5.438 522 HE3 LYS 63 HE1 LYS 63 99.668 15.582 -4.597 523 HZ1 LYS 63 HZ1 LYS 63 100.302 16.987 -2.973 524 HZ2 LYS 63 HZ2 LYS 63 101.312 17.595 -4.195 525 HZ3 LYS 63 HZ3 LYS 63 101.932 16.526 -3.032 526 H SER 64 HN SER 64 96.805 13.853 -5.254 527 HA SER 64 HA SER 64 95.147 11.586 -5.737 528 HB2 SER 64 HB2 SER 64 94.587 14.419 -6.568 529 HB3 SER 64 HB1 SER 64 93.430 13.148 -6.177 530 HG SER 64 HG SER 64 95.320 13.749 -4.238 531 H LYS 65 HN LYS 65 93.847 13.112 -7.958 532 HA LYS 65 HA LYS 65 93.811 11.767 -10.102 533 HB2 LYS 65 HB2 LYS 65 94.561 14.687 -10.143 534 HB3 LYS 65 HB1 LYS 65 93.944 13.801 -11.540 535 HG2 LYS 65 HG2 LYS 65 91.904 13.224 -10.292 536 HG3 LYS 65 HG1 LYS 65 92.518 14.080 -8.877 537 HD2 LYS 65 HD2 LYS 65 92.566 16.184 -10.163 538 HD3 LYS 65 HD1 LYS 65 91.953 15.332 -11.583 539 HE2 LYS 65 HE2 LYS 65 89.926 14.706 -10.318 540 HE3 LYS 65 HE1 LYS 65 90.533 15.589 -8.917 541 HZ1 LYS 65 HZ1 LYS 65 90.713 17.535 -10.555 542 HZ2 LYS 65 HZ2 LYS 65 89.177 17.118 -9.959 543 HZ3 LYS 65 HZ3 LYS 65 89.645 16.641 -11.521 544 H ARG 66 HN ARG 66 96.912 13.376 -9.326 545 HA ARG 66 HA ARG 66 98.224 12.729 -11.757 546 HB2 ARG 66 HB2 ARG 66 99.253 13.215 -8.953 547 HB3 ARG 66 HB1 ARG 66 100.328 12.950 -10.325 548 HG2 ARG 66 HG2 ARG 66 98.183 15.067 -10.476 549 HG3 ARG 66 HG1 ARG 66 99.691 15.405 -9.632 550 HD2 ARG 66 HD2 ARG 66 99.462 14.492 -12.517 551 HD3 ARG 66 HD1 ARG 66 99.825 16.126 -11.981 552 HE ARG 66 HE ARG 66 101.692 14.397 -10.800 553 HH11 ARG 66 HH11 ARG 66 102.447 16.822 -12.412 554 HH12 ARG 66 HH12 ARG 66 103.269 16.120 -13.766 555 HH21 ARG 66 HH21 ARG 66 102.000 12.944 -13.233 556 HH22 ARG 66 HH22 ARG 66 103.025 13.929 -14.222 557 H PHE 67 HN PHE 67 97.850 11.015 -8.718 558 HA PHE 67 HA PHE 67 98.863 8.517 -9.959 559 HB2 PHE 67 HB2 PHE 67 99.158 9.557 -7.133 560 HB3 PHE 67 HB1 PHE 67 99.425 7.868 -7.563 561 HD1 PHE 67 HD1 PHE 67 100.480 11.339 -8.387 562 HD2 PHE 67 HD2 PHE 67 101.501 7.176 -8.498 563 HE1 PHE 67 HE1 PHE 67 102.770 11.931 -9.112 564 HE2 PHE 67 HE2 PHE 67 103.798 7.763 -9.232 565 HZ PHE 67 HZ PHE 67 104.434 10.142 -9.536 566 H ARG 68 HN ARG 68 97.617 6.643 -9.517 567 HA ARG 68 HA ARG 68 94.851 7.152 -9.096 568 HB2 ARG 68 HB2 ARG 68 95.673 5.372 -10.575 569 HB3 ARG 68 HB1 ARG 68 96.329 4.514 -9.182 570 HG2 ARG 68 HG2 ARG 68 94.041 4.344 -8.223 571 HG3 ARG 68 HG1 ARG 68 93.399 5.186 -9.636 572 HD2 ARG 68 HD2 ARG 68 94.399 3.370 -11.068 573 HD3 ARG 68 HD1 ARG 68 94.807 2.504 -9.591 574 HE ARG 68 HE ARG 68 92.192 2.724 -10.796 575 HH11 ARG 68 HH11 ARG 68 90.691 3.201 -8.738 576 HH12 ARG 68 HH12 ARG 68 90.833 1.942 -7.557 577 HH21 ARG 68 HH21 ARG 68 93.762 0.654 -8.883 578 HH22 ARG 68 HH22 ARG 68 92.560 0.500 -7.645 579 H VAL 69 HN VAL 69 93.891 7.495 -7.254 580 HA VAL 69 HA VAL 69 94.340 5.716 -5.001 581 HB VAL 69 HB VAL 69 96.015 7.543 -4.680 582 HG11 VAL 69 HG11 VAL 69 95.326 9.789 -4.318 583 HG12 VAL 69 HG12 VAL 69 93.622 9.339 -4.264 584 HG13 VAL 69 HG13 VAL 69 94.501 9.277 -5.793 585 HG21 VAL 69 HG21 VAL 69 95.095 6.379 -2.738 586 HG22 VAL 69 HG22 VAL 69 93.693 7.448 -2.728 587 HG23 VAL 69 HG23 VAL 69 95.293 8.090 -2.357 588 H ARG 70 HN ARG 70 92.451 5.336 -4.007 589 HA ARG 70 HA ARG 70 90.238 7.286 -4.362 590 HB2 ARG 70 HB2 ARG 70 90.007 5.254 -5.856 591 HB3 ARG 70 HB1 ARG 70 89.895 4.284 -4.386 592 HG2 ARG 70 HG2 ARG 70 87.988 5.706 -3.636 593 HG3 ARG 70 HG1 ARG 70 88.061 6.563 -5.173 594 HD2 ARG 70 HD2 ARG 70 87.629 3.578 -4.882 595 HD3 ARG 70 HD1 ARG 70 86.354 4.755 -5.192 596 HE ARG 70 HE ARG 70 88.364 3.829 -7.083 597 HH11 ARG 70 HH11 ARG 70 88.780 6.206 -8.174 598 HH12 ARG 70 HH12 ARG 70 87.335 6.738 -8.970 599 HH21 ARG 70 HH21 ARG 70 85.267 4.590 -7.203 600 HH22 ARG 70 HH22 ARG 70 85.342 5.830 -8.410 601 H TYR 71 HN TYR 71 90.161 8.130 -2.342 602 HA TYR 71 HA TYR 71 90.749 6.525 -0.048 603 HB2 TYR 71 HB2 TYR 71 89.287 9.166 0.022 604 HB3 TYR 71 HB1 TYR 71 90.343 8.460 1.246 605 HD1 TYR 71 HD1 TYR 71 92.777 8.562 1.031 606 HD2 TYR 71 HD2 TYR 71 90.210 10.140 -2.031 607 HE1 TYR 71 HE1 TYR 71 94.712 9.716 0.007 608 HE2 TYR 71 HE2 TYR 71 92.149 11.297 -3.056 609 HH TYR 71 HH TYR 71 94.403 11.469 -3.051 610 H ASP 72 HN ASP 72 89.358 4.785 -0.114 611 HA ASP 72 HA ASP 72 86.923 5.079 1.287 612 HB2 ASP 72 HB2 ASP 72 85.380 4.235 -0.427 613 HB3 ASP 72 HB1 ASP 72 86.066 5.780 -0.928 614 H GLY 73 HN GLY 73 89.500 3.699 1.244 615 HA2 GLY 73 HA2 GLY 73 89.870 1.609 2.374 616 HA3 GLY 73 HA1 GLY 73 88.527 0.915 1.474 617 H ILE 74 HN ILE 74 89.689 2.448 -0.969 618 HA ILE 74 HA ILE 74 91.652 0.351 -1.728 619 HB ILE 74 HB ILE 74 89.825 2.079 -3.402 620 HG12 ILE 74 HG12 ILE 74 89.838 -0.926 -3.042 621 HG13 ILE 74 HG11 ILE 74 88.830 0.153 -2.075 622 HG21 ILE 74 HG21 ILE 74 91.972 0.081 -4.126 623 HG22 ILE 74 HG22 ILE 74 91.757 1.726 -4.728 624 HG23 ILE 74 HG23 ILE 74 90.646 0.453 -5.230 625 HD11 ILE 74 HD11 ILE 74 87.584 -0.693 -4.031 626 HD12 ILE 74 HD12 ILE 74 88.822 -0.022 -5.096 627 HD13 ILE 74 HD13 ILE 74 87.816 1.055 -4.127 628 H HIS 75 HN HIS 75 93.719 0.953 -2.036 629 HA HIS 75 HA HIS 75 94.266 3.618 -3.155 630 HB2 HIS 75 HB2 HIS 75 96.199 3.839 -1.515 631 HB3 HIS 75 HB1 HIS 75 94.584 4.133 -0.890 632 HD1 HIS 75 HD1 HIS 75 97.438 2.837 0.384 633 HD2 HIS 75 HD2 HIS 75 93.670 1.096 -0.051 634 HE1 HIS 75 HE1 HIS 75 97.300 0.981 2.096 635 H TYR 76 HN TYR 76 95.325 3.236 -4.988 636 HA TYR 76 HA TYR 76 97.224 0.976 -5.138 637 HB2 TYR 76 HB2 TYR 76 95.785 2.668 -7.163 638 HB3 TYR 76 HB1 TYR 76 97.268 1.848 -7.632 639 HD1 TYR 76 HD1 TYR 76 96.449 0.228 -9.128 640 HD2 TYR 76 HD2 TYR 76 94.686 0.569 -5.220 641 HE1 TYR 76 HE1 TYR 76 95.194 -1.872 -9.510 642 HE2 TYR 76 HE2 TYR 76 93.433 -1.533 -5.609 643 HH TYR 76 HH TYR 76 92.762 -2.800 -8.329 644 H LEU 77 HN LEU 77 99.349 1.342 -4.886 645 HA LEU 77 HA LEU 77 100.388 4.099 -5.189 646 HB2 LEU 77 HB2 LEU 77 101.943 1.926 -3.818 647 HB3 LEU 77 HB1 LEU 77 101.984 3.660 -3.555 648 HG LEU 77 HG LEU 77 99.647 1.869 -2.808 649 HD11 LEU 77 HD11 LEU 77 100.424 2.020 -0.540 650 HD12 LEU 77 HD12 LEU 77 101.677 3.180 -0.984 651 HD13 LEU 77 HD13 LEU 77 101.800 1.503 -1.517 652 HD21 LEU 77 HD21 LEU 77 99.087 4.260 -3.291 653 HD22 LEU 77 HD22 LEU 77 100.286 4.749 -2.094 654 HD23 LEU 77 HD23 LEU 77 98.859 3.848 -1.592 655 H ASP 78 HN ASP 78 101.038 4.254 -7.324 656 HA ASP 78 HA ASP 78 102.872 2.130 -8.320 657 HB2 ASP 78 HB2 ASP 78 102.012 2.611 -10.578 658 HB3 ASP 78 HB1 ASP 78 100.761 2.005 -9.496 659 H ILE 79 HN ILE 79 104.784 2.693 -9.033 660 HA ILE 79 HA ILE 79 105.563 5.510 -9.048 661 HB ILE 79 HB ILE 79 107.183 3.008 -9.587 662 HG12 ILE 79 HG12 ILE 79 107.136 4.815 -7.147 663 HG13 ILE 79 HG11 ILE 79 106.267 3.286 -7.244 664 HG21 ILE 79 HG21 ILE 79 107.852 5.943 -9.474 665 HG22 ILE 79 HG22 ILE 79 108.339 4.738 -10.664 666 HG23 ILE 79 HG23 ILE 79 109.064 4.734 -9.064 667 HD11 ILE 79 HD11 ILE 79 109.248 3.753 -7.261 668 HD12 ILE 79 HD12 ILE 79 108.557 2.248 -7.869 669 HD13 ILE 79 HD13 ILE 79 108.309 2.718 -6.186 670 H VAL 80 HN VAL 80 106.763 6.361 -10.939 671 HA VAL 80 HA VAL 80 105.904 5.133 -13.499 672 HB VAL 80 HB VAL 80 105.960 8.102 -12.881 673 HG11 VAL 80 HG11 VAL 80 106.349 7.740 -15.217 674 HG12 VAL 80 HG12 VAL 80 104.636 8.116 -15.071 675 HG13 VAL 80 HG13 VAL 80 105.153 6.445 -15.285 676 HG21 VAL 80 HG21 VAL 80 103.462 7.880 -13.053 677 HG22 VAL 80 HG22 VAL 80 104.139 7.045 -11.655 678 HG23 VAL 80 HG23 VAL 80 103.662 6.129 -13.083 679 H ASP 81 HN ASP 81 107.243 5.926 -15.331 680 HA ASP 81 HA ASP 81 109.997 5.564 -14.779 681 HB2 ASP 81 HB2 ASP 81 108.928 4.988 -16.935 682 HB3 ASP 81 HB1 ASP 81 108.690 6.703 -17.261 683 H CYS 82 HN CYS 82 109.634 7.415 -13.045 684 HA CYS 82 HA CYS 82 111.431 9.399 -13.457 685 HB2 CYS 82 HB2 CYS 82 108.841 10.074 -14.710 686 HB3 CYS 82 HB1 CYS 82 109.455 11.324 -13.634 687 HG CYS 82 HG CYS 82 111.766 11.090 -15.112 688 H LYS 83 HN LYS 83 111.860 10.327 -11.527 689 HA LYS 83 HA LYS 83 111.647 10.949 -9.342 690 HB2 LYS 83 HB2 LYS 83 109.421 11.947 -10.182 691 HB3 LYS 83 HB1 LYS 83 108.664 10.503 -9.523 692 HG2 LYS 83 HG2 LYS 83 108.502 12.021 -7.743 693 HG3 LYS 83 HG1 LYS 83 109.935 11.084 -7.329 694 HD2 LYS 83 HD2 LYS 83 111.399 12.841 -8.104 695 HD3 LYS 83 HD1 LYS 83 110.054 13.718 -8.832 696 HE2 LYS 83 HE2 LYS 83 110.653 14.752 -6.703 697 HE3 LYS 83 HE1 LYS 83 109.059 14.009 -6.570 698 HZ1 LYS 83 HZ1 LYS 83 111.351 13.485 -5.048 699 HZ2 LYS 83 HZ2 LYS 83 110.977 12.079 -5.928 700 HZ3 LYS 83 HZ3 LYS 83 109.813 12.783 -4.908 701 H SER 84 HN SER 84 112.679 8.637 -9.408 702 HA SER 84 HA SER 84 111.180 6.982 -7.498 703 HB2 SER 84 HB2 SER 84 112.772 5.581 -9.603 704 HB3 SER 84 HB1 SER 84 111.302 5.074 -8.781 705 HG SER 84 HG SER 84 111.066 7.343 -10.329 706 H TYR 85 HN TYR 85 114.271 7.782 -9.019 707 HA TYR 85 HA TYR 85 116.063 6.257 -7.569 708 HB2 TYR 85 HB2 TYR 85 117.749 7.751 -8.265 709 HB3 TYR 85 HB1 TYR 85 116.530 7.784 -9.529 710 HD1 TYR 85 HD1 TYR 85 114.514 9.585 -8.907 711 HD2 TYR 85 HD2 TYR 85 118.627 9.832 -7.694 712 HE1 TYR 85 HE1 TYR 85 114.277 12.034 -8.595 713 HE2 TYR 85 HE2 TYR 85 118.391 12.278 -7.382 714 HH TYR 85 HH TYR 85 116.494 13.892 -6.905 715 H ASP 86 HN ASP 86 114.531 6.592 -5.443 716 HA ASP 86 HA ASP 86 116.233 7.997 -3.583 717 HB2 ASP 86 HB2 ASP 86 114.672 9.775 -4.446 718 HB3 ASP 86 HB1 ASP 86 113.332 8.833 -3.796 719 H THR 87 HN THR 87 116.453 6.540 -1.983 720 HA THR 87 HA THR 87 114.411 4.539 -1.556 721 HB THR 87 HB THR 87 115.970 3.467 -0.119 722 HG1 THR 87 HG1 THR 87 116.450 5.438 1.045 723 HG21 THR 87 HG21 THR 87 117.566 4.959 -2.214 724 HG22 THR 87 HG22 THR 87 116.611 3.505 -2.514 725 HG23 THR 87 HG23 THR 87 118.020 3.434 -1.453 726 H GLY 88 HN GLY 88 112.789 4.629 -0.137 727 HA2 GLY 88 HA2 GLY 88 113.048 6.361 2.242 728 HA3 GLY 88 HA1 GLY 88 111.645 6.512 1.183 729 H GLU 89 HN GLU 89 110.336 5.901 3.048 730 HA GLU 89 HA GLU 89 110.195 2.958 3.337 731 HB2 GLU 89 HB2 GLU 89 110.120 4.978 5.584 732 HB3 GLU 89 HB1 GLU 89 109.664 3.281 5.749 733 HG2 GLU 89 HG2 GLU 89 111.887 2.580 5.050 734 HG3 GLU 89 HG1 GLU 89 112.351 4.258 4.773 735 H VAL 90 HN VAL 90 108.174 2.149 3.183 736 HA VAL 90 HA VAL 90 105.942 4.070 3.116 737 HB VAL 90 HB VAL 90 106.274 1.291 1.952 738 HG11 VAL 90 HG11 VAL 90 103.852 3.060 2.301 739 HG12 VAL 90 HG12 VAL 90 104.018 1.337 2.640 740 HG13 VAL 90 HG13 VAL 90 103.942 1.900 0.972 741 HG21 VAL 90 HG21 VAL 90 107.322 2.915 0.542 742 HG22 VAL 90 HG22 VAL 90 106.020 4.079 0.788 743 HG23 VAL 90 HG23 VAL 90 105.734 2.629 -0.173 744 H LYS 91 HN LYS 91 104.214 3.741 4.426 745 HA LYS 91 HA LYS 91 104.109 1.495 6.274 746 HB2 LYS 91 HB2 LYS 91 105.552 3.239 7.326 747 HB3 LYS 91 HB1 LYS 91 104.252 4.403 7.123 748 HG2 LYS 91 HG2 LYS 91 102.804 2.759 8.496 749 HG3 LYS 91 HG1 LYS 91 104.324 1.973 8.922 750 HD2 LYS 91 HD2 LYS 91 103.975 4.960 9.290 751 HD3 LYS 91 HD1 LYS 91 103.418 3.829 10.512 752 HE2 LYS 91 HE2 LYS 91 105.561 3.208 11.117 753 HE3 LYS 91 HE1 LYS 91 106.222 3.477 9.507 754 HZ1 LYS 91 HZ1 LYS 91 107.005 5.135 11.060 755 HZ2 LYS 91 HZ2 LYS 91 105.410 5.579 11.442 756 HZ3 LYS 91 HZ3 LYS 91 106.024 5.862 9.883 757 H VAL 92 HN VAL 92 102.052 0.864 6.014 758 HA VAL 92 HA VAL 92 100.074 2.792 5.051 759 HB VAL 92 HB VAL 92 98.653 0.797 4.769 760 HG11 VAL 92 HG11 VAL 92 101.395 0.321 3.614 761 HG12 VAL 92 HG12 VAL 92 100.316 1.588 3.033 762 HG13 VAL 92 HG13 VAL 92 99.838 -0.106 2.903 763 HG21 VAL 92 HG21 VAL 92 99.719 -1.441 5.088 764 HG22 VAL 92 HG22 VAL 92 99.483 -0.581 6.604 765 HG23 VAL 92 HG23 VAL 92 101.080 -0.638 5.863 766 H THR 93 HN THR 93 98.502 3.674 6.251 767 HA THR 93 HA THR 93 98.108 2.643 9.023 768 HB THR 93 HB THR 93 97.813 5.508 8.074 769 HG1 THR 93 HG1 THR 93 99.793 5.844 8.891 770 HG21 THR 93 HG21 THR 93 96.431 5.005 10.004 771 HG22 THR 93 HG22 THR 93 97.829 5.934 10.546 772 HG23 THR 93 HG23 THR 93 97.775 4.190 10.805 773 H ALA 94 HN ALA 94 95.943 2.885 9.894 774 HA ALA 94 HA ALA 94 93.810 3.491 8.004 775 HB1 ALA 94 HB1 ALA 94 94.080 1.187 7.478 776 HB2 ALA 94 HB2 ALA 94 92.725 1.252 8.607 777 HB3 ALA 94 HB3 ALA 94 94.323 0.758 9.170 778 H GLU 95 HN GLU 95 91.826 3.871 8.993 779 HA GLU 95 HA GLU 95 91.762 3.818 11.941 780 HB2 GLU 95 HB2 GLU 95 92.261 6.136 11.178 781 HB3 GLU 95 HB1 GLU 95 90.772 6.121 10.234 782 HG2 GLU 95 HG2 GLU 95 89.469 5.718 12.298 783 HG3 GLU 95 HG1 GLU 95 90.960 5.735 13.240 784 H ASN 96 HN ASN 96 89.734 3.512 12.836 785 HA ASN 96 HA ASN 96 87.436 3.125 11.121 786 HB2 ASN 96 HB2 ASN 96 88.811 0.858 12.566 787 HB3 ASN 96 HB1 ASN 96 87.103 0.793 12.158 788 HD21 ASN 96 HD21 ASN 96 90.247 1.532 10.496 789 HD22 ASN 96 HD22 ASN 96 89.815 0.738 9.059 790 HA PRO 97 HA PRO 97 85.496 4.591 14.839 791 HB2 PRO 97 HB2 PRO 97 83.153 2.899 14.674 792 HB3 PRO 97 HB1 PRO 97 83.297 4.603 14.225 793 HG2 PRO 97 HG2 PRO 97 83.125 2.296 12.502 794 HG3 PRO 97 HG1 PRO 97 83.135 4.007 12.058 795 HD2 PRO 97 HD2 PRO 97 85.240 2.126 11.642 796 HD3 PRO 97 HD1 PRO 97 85.300 3.879 11.373 797 H GLU 98 HN GLU 98 85.980 1.165 14.296 798 HA GLU 98 HA GLU 98 85.861 0.672 17.227 799 HB2 GLU 98 HB2 GLU 98 85.216 -1.185 14.930 800 HB3 GLU 98 HB1 GLU 98 85.371 -1.704 16.605 801 HG2 GLU 98 HG2 GLU 98 83.063 -1.352 16.386 802 HG3 GLU 98 HG1 GLU 98 83.616 0.151 17.118 803 H GLY 99 HN GLY 99 88.225 1.130 14.963 804 HA2 GLY 99 HA2 GLY 99 90.144 -0.249 16.529 805 HA3 GLY 99 HA1 GLY 99 89.808 -1.135 15.047 806 H VAL 100 HN VAL 100 92.284 -0.353 15.347 807 HA VAL 100 HA VAL 100 92.670 1.606 13.215 808 HB VAL 100 HB VAL 100 94.333 2.897 14.483 809 HG11 VAL 100 HG11 VAL 100 91.831 3.454 14.545 810 HG12 VAL 100 HG12 VAL 100 92.813 4.150 15.833 811 HG13 VAL 100 HG13 VAL 100 91.814 2.732 16.154 812 HG21 VAL 100 HG21 VAL 100 93.618 0.907 16.644 813 HG22 VAL 100 HG22 VAL 100 94.298 2.483 17.050 814 HG23 VAL 100 HG23 VAL 100 95.216 1.356 16.049 815 H ILE 101 HN ILE 101 94.347 0.891 11.881 816 HA ILE 101 HA ILE 101 96.236 -1.075 13.039 817 HB ILE 101 HB ILE 101 94.856 -1.402 10.372 818 HG12 ILE 101 HG12 ILE 101 94.578 -3.085 12.886 819 HG13 ILE 101 HG11 ILE 101 93.397 -1.856 12.413 820 HG21 ILE 101 HG21 ILE 101 96.001 -3.704 10.635 821 HG22 ILE 101 HG22 ILE 101 96.972 -2.947 11.891 822 HG23 ILE 101 HG23 ILE 101 97.039 -2.337 10.238 823 HD11 ILE 101 HD11 ILE 101 92.559 -3.141 10.708 824 HD12 ILE 101 HD12 ILE 101 93.238 -4.474 11.643 825 HD13 ILE 101 HD13 ILE 101 94.132 -3.813 10.273 826 H GLU 102 HN GLU 102 98.266 -1.004 12.360 827 HA GLU 102 HA GLU 102 99.025 0.665 10.062 828 HB2 GLU 102 HB2 GLU 102 100.819 1.724 11.370 829 HB3 GLU 102 HB1 GLU 102 99.244 2.090 12.074 830 HG2 GLU 102 HG2 GLU 102 99.562 0.249 13.707 831 HG3 GLU 102 HG1 GLU 102 101.156 -0.066 13.030 832 H HIS 103 HN HIS 103 101.068 0.080 9.167 833 HA HIS 103 HA HIS 103 102.414 -2.311 10.229 834 HB2 HIS 103 HB2 HIS 103 100.929 -2.149 7.626 835 HB3 HIS 103 HB1 HIS 103 102.394 -3.121 7.698 836 HD1 HIS 103 HD1 HIS 103 99.008 -3.672 7.815 837 HD2 HIS 103 HD2 HIS 103 102.045 -4.783 10.439 838 HE1 HIS 103 HE1 HIS 103 98.171 -5.717 9.037 839 H LYS 104 HN LYS 104 104.582 -2.436 9.658 840 HA LYS 104 HA LYS 104 105.666 -0.063 8.229 841 HB2 LYS 104 HB2 LYS 104 106.803 -1.761 10.457 842 HB3 LYS 104 HB1 LYS 104 107.728 -0.533 9.586 843 HG2 LYS 104 HG2 LYS 104 106.189 1.196 10.256 844 HG3 LYS 104 HG1 LYS 104 105.092 0.021 10.967 845 HD2 LYS 104 HD2 LYS 104 106.244 0.850 12.839 846 HD3 LYS 104 HD1 LYS 104 107.114 -0.635 12.472 847 HE2 LYS 104 HE2 LYS 104 108.891 0.576 11.400 848 HE3 LYS 104 HE1 LYS 104 107.969 2.082 11.438 849 HZ1 LYS 104 HZ1 LYS 104 108.553 2.462 13.535 850 HZ2 LYS 104 HZ2 LYS 104 109.731 1.255 13.334 851 HZ3 LYS 104 HZ3 LYS 104 108.225 0.867 14.017 852 H VAL 105 HN VAL 105 106.703 -0.357 6.414 853 HA VAL 105 HA VAL 105 108.089 -2.899 5.867 854 HB VAL 105 HB VAL 105 107.195 -2.962 3.584 855 HG11 VAL 105 HG11 VAL 105 104.973 -2.767 5.642 856 HG12 VAL 105 HG12 VAL 105 106.018 -4.170 5.417 857 HG13 VAL 105 HG13 VAL 105 104.923 -3.672 4.130 858 HG21 VAL 105 HG21 VAL 105 105.468 -0.631 4.485 859 HG22 VAL 105 HG22 VAL 105 105.318 -1.478 2.949 860 HG23 VAL 105 HG23 VAL 105 106.768 -0.544 3.302 861 H LYS 106 HN LYS 106 109.765 -2.669 4.237 862 HA LYS 106 HA LYS 106 110.744 0.128 4.016 863 HB2 LYS 106 HB2 LYS 106 112.135 -1.365 5.396 864 HB3 LYS 106 HB1 LYS 106 112.309 -2.456 4.023 865 HG2 LYS 106 HG2 LYS 106 113.404 -0.671 2.720 866 HG3 LYS 106 HG1 LYS 106 113.198 0.444 4.073 867 HD2 LYS 106 HD2 LYS 106 114.556 -1.031 5.504 868 HD3 LYS 106 HD1 LYS 106 114.769 -2.142 4.152 869 HE2 LYS 106 HE2 LYS 106 115.929 -0.411 2.870 870 HE3 LYS 106 HE1 LYS 106 115.664 0.754 4.169 871 HZ1 LYS 106 HZ1 LYS 106 117.890 -0.366 4.161 872 HZ2 LYS 106 HZ2 LYS 106 117.093 -1.812 4.565 873 HZ3 LYS 106 HZ3 LYS 106 117.031 -0.482 5.620 874 H LEU 107 HN LEU 107 110.757 0.982 2.063 875 HA LEU 107 HA LEU 107 111.140 -0.785 -0.296 876 HB2 LEU 107 HB2 LEU 107 109.279 1.578 0.034 877 HB3 LEU 107 HB1 LEU 107 109.799 0.995 -1.545 878 HG LEU 107 HG LEU 107 108.952 -1.295 -0.894 879 HD11 LEU 107 HD11 LEU 107 108.387 0.148 1.623 880 HD12 LEU 107 HD12 LEU 107 108.530 -1.579 1.318 881 HD13 LEU 107 HD13 LEU 107 107.007 -0.759 1.006 882 HD21 LEU 107 HD21 LEU 107 106.475 -0.510 -1.067 883 HD22 LEU 107 HD22 LEU 107 107.577 -0.101 -2.380 884 HD23 LEU 107 HD23 LEU 107 107.159 1.112 -1.175 885 H GLU 108 HN GLU 108 113.025 -0.342 -1.206 886 HA GLU 108 HA GLU 108 114.082 2.413 -1.016 887 HB2 GLU 108 HB2 GLU 108 116.339 1.291 -1.162 888 HB3 GLU 108 HB1 GLU 108 115.456 1.033 0.341 889 HG2 GLU 108 HG2 GLU 108 114.675 -1.152 -0.474 890 HG3 GLU 108 HG1 GLU 108 115.531 -0.901 -1.995 891 H ILE 109 HN ILE 109 114.559 3.422 -2.898 892 HA ILE 109 HA ILE 109 114.469 1.798 -5.381 893 HB ILE 109 HB ILE 109 114.040 4.759 -5.003 894 HG12 ILE 109 HG12 ILE 109 111.966 2.611 -5.546 895 HG13 ILE 109 HG11 ILE 109 112.267 3.303 -3.956 896 HG21 ILE 109 HG21 ILE 109 114.006 2.888 -7.369 897 HG22 ILE 109 HG22 ILE 109 114.706 4.483 -7.233 898 HG23 ILE 109 HG23 ILE 109 112.970 4.303 -7.382 899 HD11 ILE 109 HD11 ILE 109 111.753 5.549 -4.836 900 HD12 ILE 109 HD12 ILE 109 110.393 4.453 -5.076 901 HD13 ILE 109 HD13 ILE 109 111.451 4.856 -6.432 902 H GLN 110 HN GLN 110 116.454 1.357 -6.076 903 HA GLN 110 HA GLN 110 118.715 3.120 -5.470 904 HB2 GLN 110 HB2 GLN 110 118.603 0.493 -6.967 905 HB3 GLN 110 HB1 GLN 110 120.080 1.373 -6.578 906 HG2 GLN 110 HG2 GLN 110 118.077 0.424 -4.518 907 HG3 GLN 110 HG1 GLN 110 119.554 -0.441 -4.941 908 HE21 GLN 110 HE21 GLN 110 121.641 0.617 -4.388 909 HE22 GLN 110 HE22 GLN 110 121.690 1.841 -3.212 910 H GLN 111 HN GLN 111 119.650 1.823 -8.271 911 HA GLN 111 HA GLN 111 118.386 3.724 -10.073 912 HB2 GLN 111 HB2 GLN 111 121.314 3.867 -9.342 913 HB3 GLN 111 HB1 GLN 111 120.667 4.557 -10.830 914 HG2 GLN 111 HG2 GLN 111 119.096 5.931 -9.497 915 HG3 GLN 111 HG1 GLN 111 119.778 5.263 -8.020 916 HE21 GLN 111 HE21 GLN 111 120.999 6.905 -7.100 917 HE22 GLN 111 HE22 GLN 111 122.125 7.859 -7.939 918 H LEU 112 HN LEU 112 118.826 3.306 -12.305 919 HA LEU 112 HA LEU 112 119.657 0.515 -12.809 920 HB2 LEU 112 HB2 LEU 112 117.408 1.061 -13.593 921 HB3 LEU 112 HB1 LEU 112 118.021 2.448 -14.487 922 HG LEU 112 HG LEU 112 119.299 0.977 -15.968 923 HD11 LEU 112 HD11 LEU 112 118.781 -1.565 -15.705 924 HD12 LEU 112 HD12 LEU 112 118.351 -1.150 -14.046 925 HD13 LEU 112 HD13 LEU 112 119.985 -0.849 -14.638 926 HD21 LEU 112 HD21 LEU 112 117.004 1.401 -16.633 927 HD22 LEU 112 HD22 LEU 112 116.412 0.136 -15.557 928 HD23 LEU 112 HD23 LEU 112 117.365 -0.291 -16.979 929 H GLU 113 HN GLU 113 120.308 3.857 -13.618 930 HA GLU 113 HA GLU 113 122.170 3.255 -15.727 931 HB2 GLU 113 HB2 GLU 113 122.728 5.666 -15.588 932 HB3 GLU 113 HB1 GLU 113 120.994 5.385 -15.738 933 HG2 GLU 113 HG2 GLU 113 120.782 5.600 -13.260 934 HG3 GLU 113 HG1 GLU 113 122.500 5.985 -13.173 935 H HIS 114 HN HIS 114 124.385 3.329 -15.686 936 HA HIS 114 HA HIS 114 125.672 2.468 -13.287 937 HB2 HIS 114 HB2 HIS 114 126.722 3.338 -15.985 938 HB3 HIS 114 HB1 HIS 114 127.764 2.752 -14.690 939 HD1 HIS 114 HD1 HIS 114 127.691 0.233 -14.142 940 HD2 HIS 114 HD2 HIS 114 125.027 1.338 -17.151 941 HE1 HIS 114 HE1 HIS 114 126.839 -1.919 -15.170 942 H HIS 115 HN HIS 115 127.994 3.722 -12.998 943 HA HIS 115 HA HIS 115 127.331 6.120 -11.648 944 HB2 HIS 115 HB2 HIS 115 129.979 4.931 -12.490 945 HB3 HIS 115 HB1 HIS 115 129.853 6.427 -11.569 946 HD1 HIS 115 HD1 HIS 115 128.783 2.785 -11.324 947 HD2 HIS 115 HD2 HIS 115 129.545 6.047 -8.844 948 HE1 HIS 115 HE1 HIS 115 128.675 1.917 -8.947 949 H HIS 116 HN HIS 116 128.777 5.450 -14.816 950 HA HIS 116 HA HIS 116 129.040 8.287 -15.431 951 HB2 HIS 116 HB2 HIS 116 129.719 7.371 -17.717 952 HB3 HIS 116 HB1 HIS 116 130.771 6.957 -16.365 953 HD1 HIS 116 HD1 HIS 116 128.432 5.484 -18.853 954 HD2 HIS 116 HD2 HIS 116 130.581 4.197 -15.521 955 HE1 HIS 116 HE1 HIS 116 128.320 2.954 -18.863 956 H HIS 117 HN HIS 117 128.031 9.218 -17.334 957 HA HIS 117 HA HIS 117 125.486 7.983 -18.171 958 HB2 HIS 117 HB2 HIS 117 124.287 10.083 -17.789 959 HB3 HIS 117 HB1 HIS 117 124.989 9.509 -16.276 960 HD1 HIS 117 HD1 HIS 117 127.287 10.674 -15.538 961 HD2 HIS 117 HD2 HIS 117 125.218 12.594 -18.604 962 HE1 HIS 117 HE1 HIS 117 128.292 12.988 -15.740 963 H HIS 118 HN HIS 118 124.555 9.095 -20.058 964 HA HIS 118 HA HIS 118 126.466 9.446 -22.095 965 HB2 HIS 118 HB2 HIS 118 123.551 10.246 -21.989 966 HB3 HIS 118 HB1 HIS 118 124.532 10.221 -23.454 967 HD1 HIS 118 HD1 HIS 118 122.223 8.379 -23.579 968 HD2 HIS 118 HD2 HIS 118 125.804 7.201 -21.801 969 HE1 HIS 118 HE1 HIS 118 122.228 5.848 -23.590 970 H HIS 119 HN HIS 119 127.546 11.155 -22.805 971 HA HIS 119 HA HIS 119 127.837 13.512 -21.370 972 HB2 HIS 119 HB2 HIS 119 128.343 12.954 -24.303 973 HB3 HIS 119 HB1 HIS 119 128.914 14.392 -23.450 974 HD1 HIS 119 HD1 HIS 119 129.197 10.600 -23.253 975 HD2 HIS 119 HD2 HIS 119 131.259 14.001 -22.005 976 HE1 HIS 119 HE1 HIS 119 131.385 9.789 -22.267 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 92.762 -5.713 -27.583 2 H2 ARG 1 HT2 ARG 1 92.563 -5.368 -25.932 3 H3 ARG 1 HT3 ARG 1 91.818 -4.389 -27.103 4 HA ARG 1 HA ARG 1 90.160 -5.797 -26.164 5 HB2 ARG 1 HB2 ARG 1 89.401 -6.945 -28.199 6 HB3 ARG 1 HB1 ARG 1 90.068 -5.365 -28.609 7 HG2 ARG 1 HG2 ARG 1 92.219 -6.431 -29.210 8 HG3 ARG 1 HG1 ARG 1 91.543 -8.010 -28.819 9 HD2 ARG 1 HD2 ARG 1 89.835 -7.739 -30.554 10 HD3 ARG 1 HD1 ARG 1 90.458 -6.134 -30.934 11 HE ARG 1 HE ARG 1 92.612 -7.870 -31.181 12 HH11 ARG 1 HH11 ARG 1 91.030 -6.182 -33.329 13 HH12 ARG 1 HH12 ARG 1 90.785 -7.406 -34.532 14 HH21 ARG 1 HH21 ARG 1 91.631 -10.021 -32.421 15 HH22 ARG 1 HH22 ARG 1 91.122 -9.580 -34.014 16 H MET 2 HN MET 2 92.823 -6.824 -25.277 17 HA MET 2 HA MET 2 92.704 -9.699 -25.677 18 HB2 MET 2 HB2 MET 2 94.459 -7.948 -23.939 19 HB3 MET 2 HB1 MET 2 94.635 -9.698 -24.083 20 HG2 MET 2 HG2 MET 2 94.973 -9.468 -26.517 21 HG3 MET 2 HG1 MET 2 94.795 -7.720 -26.377 22 HE1 MET 2 HE1 MET 2 97.223 -6.928 -27.261 23 HE2 MET 2 HE2 MET 2 96.965 -8.568 -27.853 24 HE3 MET 2 HE3 MET 2 98.524 -8.121 -27.165 25 H ALA 3 HN ALA 3 92.107 -11.240 -24.171 26 HA ALA 3 HA ALA 3 91.275 -10.469 -21.491 27 HB1 ALA 3 HB1 ALA 3 89.226 -11.692 -23.343 28 HB2 ALA 3 HB2 ALA 3 89.313 -9.963 -23.010 29 HB3 ALA 3 HB3 ALA 3 88.978 -11.098 -21.701 30 H HIS 4 HN HIS 4 90.769 -12.291 -20.143 31 HA HIS 4 HA HIS 4 91.144 -14.978 -21.155 32 HB2 HIS 4 HB2 HIS 4 93.479 -14.267 -20.949 33 HB3 HIS 4 HB1 HIS 4 93.189 -13.750 -19.287 34 HD1 HIS 4 HD1 HIS 4 92.626 -16.973 -21.283 35 HD2 HIS 4 HD2 HIS 4 93.923 -15.722 -17.523 36 HE1 HIS 4 HE1 HIS 4 93.223 -19.071 -19.994 37 H GLU 5 HN GLU 5 88.935 -13.884 -19.968 38 HA GLU 5 HA GLU 5 88.968 -14.609 -17.121 39 HB2 GLU 5 HB2 GLU 5 86.854 -13.353 -18.889 40 HB3 GLU 5 HB1 GLU 5 86.611 -13.748 -17.187 41 HG2 GLU 5 HG2 GLU 5 88.472 -12.279 -16.558 42 HG3 GLU 5 HG1 GLU 5 88.778 -11.916 -18.255 43 H GLY 6 HN GLY 6 89.160 -16.871 -17.234 44 HA2 GLY 6 HA2 GLY 6 87.219 -18.417 -18.767 45 HA3 GLY 6 HA1 GLY 6 88.527 -19.059 -17.780 46 H ALA 7 HN ALA 7 88.138 -18.174 -15.319 47 HA ALA 7 HA ALA 7 85.931 -19.687 -14.366 48 HB1 ALA 7 HB1 ALA 7 88.003 -19.378 -13.065 49 HB2 ALA 7 HB2 ALA 7 86.584 -18.865 -12.151 50 HB3 ALA 7 HB3 ALA 7 87.634 -17.662 -12.896 51 H LEU 8 HN LEU 8 84.050 -19.031 -13.303 52 HA LEU 8 HA LEU 8 82.931 -16.518 -14.271 53 HB2 LEU 8 HB2 LEU 8 81.577 -18.549 -14.440 54 HB3 LEU 8 HB1 LEU 8 81.691 -18.796 -12.699 55 HG LEU 8 HG LEU 8 80.476 -16.705 -12.293 56 HD11 LEU 8 HD11 LEU 8 79.391 -15.694 -14.480 57 HD12 LEU 8 HD12 LEU 8 80.790 -16.416 -15.273 58 HD13 LEU 8 HD13 LEU 8 81.018 -15.212 -14.004 59 HD21 LEU 8 HD21 LEU 8 78.314 -17.436 -13.038 60 HD22 LEU 8 HD22 LEU 8 79.273 -18.894 -12.785 61 HD23 LEU 8 HD23 LEU 8 79.008 -18.287 -14.419 62 H THR 9 HN THR 9 82.715 -14.734 -13.090 63 HA THR 9 HA THR 9 83.654 -14.715 -10.323 64 HB THR 9 HB THR 9 84.551 -12.942 -11.628 65 HG1 THR 9 HG1 THR 9 84.061 -12.013 -9.765 66 HG21 THR 9 HG21 THR 9 83.188 -11.407 -12.944 67 HG22 THR 9 HG22 THR 9 81.713 -12.213 -12.408 68 HG23 THR 9 HG23 THR 9 82.850 -13.058 -13.455 69 H GLY 10 HN GLY 10 82.498 -13.543 -8.660 70 HA2 GLY 10 HA2 GLY 10 79.848 -14.444 -8.321 71 HA3 GLY 10 HA1 GLY 10 80.648 -13.225 -7.330 72 H VAL 11 HN VAL 11 77.964 -13.035 -7.962 73 HA VAL 11 HA VAL 11 77.592 -11.248 -10.214 74 HB VAL 11 HB VAL 11 75.221 -11.153 -9.168 75 HG11 VAL 11 HG11 VAL 11 76.440 -13.787 -10.061 76 HG12 VAL 11 HG12 VAL 11 75.779 -12.541 -11.119 77 HG13 VAL 11 HG13 VAL 11 74.713 -13.431 -10.032 78 HG21 VAL 11 HG21 VAL 11 76.168 -11.965 -6.918 79 HG22 VAL 11 HG22 VAL 11 76.278 -13.560 -7.667 80 HG23 VAL 11 HG23 VAL 11 74.711 -12.776 -7.494 81 H THR 12 HN THR 12 77.496 -9.084 -10.189 82 HA THR 12 HA THR 12 78.432 -7.612 -7.939 83 HB THR 12 HB THR 12 78.883 -6.714 -10.109 84 HG1 THR 12 HG1 THR 12 78.453 -5.100 -8.663 85 HG21 THR 12 HG21 THR 12 77.234 -7.651 -11.511 86 HG22 THR 12 HG22 THR 12 76.854 -5.931 -11.515 87 HG23 THR 12 HG23 THR 12 75.910 -7.040 -10.521 88 H THR 13 HN THR 13 76.671 -8.673 -6.526 89 HA THR 13 HA THR 13 74.035 -7.466 -6.701 90 HB THR 13 HB THR 13 75.245 -9.155 -4.490 91 HG1 THR 13 HG1 THR 13 73.772 -10.715 -5.620 92 HG21 THR 13 HG21 THR 13 72.487 -9.550 -4.567 93 HG22 THR 13 HG22 THR 13 72.635 -7.816 -4.839 94 HG23 THR 13 HG23 THR 13 73.333 -8.547 -3.392 95 H ASP 14 HN ASP 14 74.872 -7.679 -3.492 96 HA ASP 14 HA ASP 14 75.946 -4.983 -3.206 97 HB2 ASP 14 HB2 ASP 14 73.495 -4.648 -3.394 98 HB3 ASP 14 HB1 ASP 14 73.260 -5.733 -2.027 99 H GLN 15 HN GLN 15 77.056 -4.723 -1.313 100 HA GLN 15 HA GLN 15 77.412 -7.135 0.324 101 HB2 GLN 15 HB2 GLN 15 78.970 -4.546 0.155 102 HB3 GLN 15 HB1 GLN 15 79.354 -5.866 1.261 103 HG2 GLN 15 HG2 GLN 15 79.565 -7.401 -0.680 104 HG3 GLN 15 HG1 GLN 15 79.248 -6.048 -1.764 105 HE21 GLN 15 HE21 GLN 15 80.848 -4.204 0.094 106 HE22 GLN 15 HE22 GLN 15 82.468 -4.577 -0.249 107 H LYS 16 HN LYS 16 76.273 -7.369 2.104 108 HA LYS 16 HA LYS 16 75.576 -4.983 3.732 109 HB2 LYS 16 HB2 LYS 16 73.911 -7.436 3.127 110 HB3 LYS 16 HB1 LYS 16 73.526 -6.282 4.403 111 HG2 LYS 16 HG2 LYS 16 73.375 -4.471 2.758 112 HG3 LYS 16 HG1 LYS 16 73.826 -5.588 1.466 113 HD2 LYS 16 HD2 LYS 16 71.810 -6.940 1.941 114 HD3 LYS 16 HD1 LYS 16 71.355 -5.801 3.210 115 HE2 LYS 16 HE2 LYS 16 71.736 -5.069 0.294 116 HE3 LYS 16 HE1 LYS 16 70.174 -5.338 1.067 117 HZ1 LYS 16 HZ1 LYS 16 70.220 -3.286 1.869 118 HZ2 LYS 16 HZ2 LYS 16 71.663 -2.994 1.020 119 HZ3 LYS 16 HZ3 LYS 16 71.716 -3.559 2.620 120 H GLU 17 HN GLU 17 77.523 -7.537 3.597 121 HA GLU 17 HA GLU 17 77.153 -8.444 6.381 122 HB2 GLU 17 HB2 GLU 17 78.848 -9.485 4.097 123 HB3 GLU 17 HB1 GLU 17 78.872 -10.152 5.731 124 HG2 GLU 17 HG2 GLU 17 76.368 -9.913 4.042 125 HG3 GLU 17 HG1 GLU 17 77.340 -11.378 4.155 126 H LYS 18 HN LYS 18 78.332 -7.547 7.937 127 HA LYS 18 HA LYS 18 80.590 -5.835 7.268 128 HB2 LYS 18 HB2 LYS 18 80.569 -5.261 9.643 129 HB3 LYS 18 HB1 LYS 18 78.947 -5.119 8.972 130 HG2 LYS 18 HG2 LYS 18 78.445 -7.422 9.823 131 HG3 LYS 18 HG1 LYS 18 80.024 -7.441 10.603 132 HD2 LYS 18 HD2 LYS 18 77.966 -5.289 11.130 133 HD3 LYS 18 HD1 LYS 18 78.087 -6.756 12.099 134 HE2 LYS 18 HE2 LYS 18 80.563 -6.139 12.435 135 HE3 LYS 18 HE1 LYS 18 80.139 -4.555 11.788 136 HZ1 LYS 18 HZ1 LYS 18 78.244 -4.718 13.534 137 HZ2 LYS 18 HZ2 LYS 18 79.802 -4.233 14.008 138 HZ3 LYS 18 HZ3 LYS 18 79.283 -5.827 14.288 139 H GLN 19 HN GLN 19 82.692 -6.356 7.497 140 HA GLN 19 HA GLN 19 83.336 -9.051 8.539 141 HB2 GLN 19 HB2 GLN 19 84.880 -7.228 6.669 142 HB3 GLN 19 HB1 GLN 19 85.396 -8.829 7.194 143 HG2 GLN 19 HG2 GLN 19 83.325 -9.787 6.207 144 HG3 GLN 19 HG1 GLN 19 82.885 -8.178 5.631 145 HE21 GLN 19 HE21 GLN 19 83.870 -10.873 4.282 146 HE22 GLN 19 HE22 GLN 19 85.026 -10.312 3.169 147 H LYS 20 HN LYS 20 85.650 -9.130 9.445 148 HA LYS 20 HA LYS 20 85.801 -7.166 11.578 149 HB2 LYS 20 HB2 LYS 20 87.587 -9.543 11.001 150 HB3 LYS 20 HB1 LYS 20 87.547 -8.603 12.493 151 HG2 LYS 20 HG2 LYS 20 85.304 -9.316 12.982 152 HG3 LYS 20 HG1 LYS 20 85.130 -10.051 11.386 153 HD2 LYS 20 HD2 LYS 20 86.847 -11.700 11.908 154 HD3 LYS 20 HD1 LYS 20 87.158 -10.932 13.462 155 HE2 LYS 20 HE2 LYS 20 84.576 -11.357 13.857 156 HE3 LYS 20 HE1 LYS 20 84.797 -12.581 12.605 157 HZ1 LYS 20 HZ1 LYS 20 86.363 -12.356 15.119 158 HZ2 LYS 20 HZ2 LYS 20 86.613 -13.519 13.908 159 HZ3 LYS 20 HZ3 LYS 20 85.163 -13.511 14.795 160 HA PRO 21 HA PRO 21 88.716 -4.560 9.454 161 HB2 PRO 21 HB2 PRO 21 90.336 -4.049 11.812 162 HB3 PRO 21 HB1 PRO 21 89.176 -2.970 11.023 163 HG2 PRO 21 HG2 PRO 21 88.869 -4.451 13.477 164 HG3 PRO 21 HG1 PRO 21 87.760 -3.282 12.749 165 HD2 PRO 21 HD2 PRO 21 87.373 -6.092 12.933 166 HD3 PRO 21 HD1 PRO 21 86.387 -4.948 12.003 167 H ASP 22 HN ASP 22 90.668 -4.850 8.420 168 HA ASP 22 HA ASP 22 92.911 -6.194 9.419 169 HB2 ASP 22 HB2 ASP 22 91.295 -8.179 9.247 170 HB3 ASP 22 HB1 ASP 22 91.397 -7.970 7.509 171 H ILE 23 HN ILE 23 94.222 -4.842 8.353 172 HA ILE 23 HA ILE 23 93.779 -4.184 5.566 173 HB ILE 23 HB ILE 23 95.923 -2.835 5.818 174 HG12 ILE 23 HG12 ILE 23 96.204 -2.314 8.446 175 HG13 ILE 23 HG11 ILE 23 95.696 -3.989 8.592 176 HG21 ILE 23 HG21 ILE 23 93.983 -1.559 5.877 177 HG22 ILE 23 HG22 ILE 23 94.657 -1.205 7.468 178 HG23 ILE 23 HG23 ILE 23 93.352 -2.380 7.304 179 HD11 ILE 23 HD11 ILE 23 98.077 -2.914 7.086 180 HD12 ILE 23 HD12 ILE 23 97.513 -4.572 6.939 181 HD13 ILE 23 HD13 ILE 23 98.083 -3.978 8.491 182 H VAL 24 HN VAL 24 95.193 -4.473 3.864 183 HA VAL 24 HA VAL 24 97.149 -6.678 4.141 184 HB VAL 24 HB VAL 24 95.105 -7.447 2.962 185 HG11 VAL 24 HG11 VAL 24 94.590 -6.515 0.732 186 HG12 VAL 24 HG12 VAL 24 95.820 -5.276 0.966 187 HG13 VAL 24 HG13 VAL 24 94.392 -5.310 1.998 188 HG21 VAL 24 HG21 VAL 24 96.260 -8.339 0.988 189 HG22 VAL 24 HG22 VAL 24 97.331 -8.365 2.390 190 HG23 VAL 24 HG23 VAL 24 97.519 -7.117 1.159 191 H LEU 25 HN LEU 25 99.047 -6.454 2.965 192 HA LEU 25 HA LEU 25 99.467 -4.213 1.206 193 HB2 LEU 25 HB2 LEU 25 101.440 -3.386 2.651 194 HB3 LEU 25 HB1 LEU 25 99.830 -2.922 3.136 195 HG LEU 25 HG LEU 25 101.456 -3.756 4.966 196 HD11 LEU 25 HD11 LEU 25 98.924 -5.362 5.041 197 HD12 LEU 25 HD12 LEU 25 98.825 -3.604 5.023 198 HD13 LEU 25 HD13 LEU 25 99.711 -4.423 6.303 199 HD21 LEU 25 HD21 LEU 25 101.615 -6.144 5.313 200 HD22 LEU 25 HD22 LEU 25 102.230 -5.772 3.712 201 HD23 LEU 25 HD23 LEU 25 100.625 -6.471 3.898 202 H TYR 26 HN TYR 26 102.386 -4.306 1.670 203 HA TYR 26 HA TYR 26 102.934 -6.819 0.257 204 HB2 TYR 26 HB2 TYR 26 104.010 -4.114 0.186 205 HB3 TYR 26 HB1 TYR 26 105.312 -5.271 0.446 206 HD1 TYR 26 HD1 TYR 26 106.038 -6.735 -1.289 207 HD2 TYR 26 HD2 TYR 26 102.459 -4.412 -1.791 208 HE1 TYR 26 HE1 TYR 26 105.948 -7.390 -3.678 209 HE2 TYR 26 HE2 TYR 26 102.372 -5.066 -4.183 210 HH TYR 26 HH TYR 26 103.441 -7.332 -5.497 211 HA PRO 27 HA PRO 27 104.188 -8.120 4.438 212 HB2 PRO 27 HB2 PRO 27 104.988 -10.723 3.452 213 HB3 PRO 27 HB1 PRO 27 103.568 -10.308 4.420 214 HG2 PRO 27 HG2 PRO 27 103.652 -11.036 1.667 215 HG3 PRO 27 HG1 PRO 27 102.242 -10.561 2.620 216 HD2 PRO 27 HD2 PRO 27 103.611 -9.036 0.564 217 HD3 PRO 27 HD1 PRO 27 102.133 -8.619 1.449 218 H GLU 28 HN GLU 28 106.116 -8.357 1.516 219 HA GLU 28 HA GLU 28 108.583 -8.344 3.161 220 HB2 GLU 28 HB2 GLU 28 108.158 -9.404 0.362 221 HB3 GLU 28 HB1 GLU 28 109.703 -9.371 1.212 222 HG2 GLU 28 HG2 GLU 28 107.227 -10.768 2.261 223 HG3 GLU 28 HG1 GLU 28 108.510 -11.583 1.368 224 HA PRO 29 HA PRO 29 109.542 -4.323 1.534 225 HB2 PRO 29 HB2 PRO 29 112.357 -4.859 1.084 226 HB3 PRO 29 HB1 PRO 29 111.618 -3.960 2.415 227 HG2 PRO 29 HG2 PRO 29 112.748 -6.607 2.452 228 HG3 PRO 29 HG1 PRO 29 112.111 -5.660 3.802 229 HD2 PRO 29 HD2 PRO 29 110.919 -7.968 2.621 230 HD3 PRO 29 HD1 PRO 29 110.207 -6.906 3.852 231 H VAL 30 HN VAL 30 110.074 -3.256 -0.467 232 HA VAL 30 HA VAL 30 110.586 -5.050 -2.783 233 HB VAL 30 HB VAL 30 108.524 -2.856 -2.547 234 HG11 VAL 30 HG11 VAL 30 108.051 -3.505 -4.982 235 HG12 VAL 30 HG12 VAL 30 109.630 -4.287 -4.970 236 HG13 VAL 30 HG13 VAL 30 109.507 -2.548 -4.705 237 HG21 VAL 30 HG21 VAL 30 108.398 -5.831 -3.093 238 HG22 VAL 30 HG22 VAL 30 107.034 -4.746 -3.362 239 HG23 VAL 30 HG23 VAL 30 107.686 -4.960 -1.734 240 H ARG 31 HN ARG 31 112.050 -4.285 -4.237 241 HA ARG 31 HA ARG 31 112.891 -1.462 -4.035 242 HB2 ARG 31 HB2 ARG 31 115.229 -2.165 -4.236 243 HB3 ARG 31 HB1 ARG 31 114.495 -2.894 -2.810 244 HG2 ARG 31 HG2 ARG 31 114.091 -4.977 -4.093 245 HG3 ARG 31 HG1 ARG 31 114.897 -4.256 -5.487 246 HD2 ARG 31 HD2 ARG 31 116.947 -3.953 -4.118 247 HD3 ARG 31 HD1 ARG 31 116.142 -4.759 -2.774 248 HE ARG 31 HE ARG 31 116.122 -6.347 -5.174 249 HH11 ARG 31 HH11 ARG 31 118.430 -7.147 -5.615 250 HH12 ARG 31 HH12 ARG 31 119.236 -7.770 -4.214 251 HH21 ARG 31 HH21 ARG 31 116.976 -6.388 -1.972 252 HH22 ARG 31 HH22 ARG 31 118.410 -7.343 -2.149 253 H VAL 32 HN VAL 32 113.227 -0.461 -5.966 254 HA VAL 32 HA VAL 32 113.287 -2.142 -8.408 255 HB VAL 32 HB VAL 32 110.989 -1.022 -7.771 256 HG11 VAL 32 HG11 VAL 32 112.174 1.232 -7.476 257 HG12 VAL 32 HG12 VAL 32 110.675 1.235 -8.392 258 HG13 VAL 32 HG13 VAL 32 112.223 1.313 -9.232 259 HG21 VAL 32 HG21 VAL 32 110.907 -2.062 -9.830 260 HG22 VAL 32 HG22 VAL 32 112.371 -1.275 -10.407 261 HG23 VAL 32 HG23 VAL 32 110.842 -0.394 -10.398 262 H LEU 33 HN LEU 33 114.164 -0.960 -10.309 263 HA LEU 33 HA LEU 33 116.355 0.813 -9.450 264 HB2 LEU 33 HB2 LEU 33 116.246 -0.324 -12.220 265 HB3 LEU 33 HB1 LEU 33 117.625 -0.070 -11.153 266 HG LEU 33 HG LEU 33 115.523 -2.231 -10.805 267 HD11 LEU 33 HD11 LEU 33 117.057 -2.519 -12.765 268 HD12 LEU 33 HD12 LEU 33 117.252 -3.764 -11.533 269 HD13 LEU 33 HD13 LEU 33 118.423 -2.449 -11.651 270 HD21 LEU 33 HD21 LEU 33 118.157 -1.774 -9.367 271 HD22 LEU 33 HD22 LEU 33 117.009 -3.076 -9.056 272 HD23 LEU 33 HD23 LEU 33 116.575 -1.412 -8.683 273 H GLU 34 HN GLU 34 116.581 2.852 -10.142 274 HA GLU 34 HA GLU 34 114.582 4.450 -11.019 275 HB2 GLU 34 HB2 GLU 34 116.711 5.366 -10.292 276 HB3 GLU 34 HB1 GLU 34 117.511 4.697 -11.708 277 HG2 GLU 34 HG2 GLU 34 117.011 7.129 -11.940 278 HG3 GLU 34 HG1 GLU 34 116.263 6.152 -13.193 279 H GLY 35 HN GLY 35 113.374 4.645 -12.752 280 HA2 GLY 35 HA2 GLY 35 113.090 4.970 -15.108 281 HA3 GLY 35 HA1 GLY 35 114.465 3.910 -15.402 282 H GLU 36 HN GLU 36 112.661 2.594 -12.951 283 HA GLU 36 HA GLU 36 111.168 0.826 -14.816 284 HB2 GLU 36 HB2 GLU 36 112.367 0.255 -12.105 285 HB3 GLU 36 HB1 GLU 36 111.317 -0.861 -12.973 286 HG2 GLU 36 HG2 GLU 36 112.940 -0.798 -14.886 287 HG3 GLU 36 HG1 GLU 36 114.008 0.184 -13.883 288 H THR 37 HN THR 37 109.017 0.815 -14.627 289 HA THR 37 HA THR 37 107.712 2.435 -12.619 290 HB THR 37 HB THR 37 105.763 2.149 -13.885 291 HG1 THR 37 HG1 THR 37 105.506 -0.010 -13.926 292 HG21 THR 37 HG21 THR 37 107.707 3.139 -15.192 293 HG22 THR 37 HG22 THR 37 106.399 2.473 -16.172 294 HG23 THR 37 HG23 THR 37 107.889 1.557 -15.950 295 H ALA 38 HN ALA 38 106.392 1.675 -10.940 296 HA ALA 38 HA ALA 38 106.553 -1.249 -10.397 297 HB1 ALA 38 HB1 ALA 38 106.936 -0.825 -8.105 298 HB2 ALA 38 HB2 ALA 38 106.536 0.884 -8.268 299 HB3 ALA 38 HB3 ALA 38 108.032 0.257 -8.963 300 H ARG 39 HN ARG 39 104.885 -2.074 -8.973 301 HA ARG 39 HA ARG 39 102.384 -0.502 -8.900 302 HB2 ARG 39 HB2 ARG 39 102.703 -3.289 -10.043 303 HB3 ARG 39 HB1 ARG 39 101.150 -2.592 -9.588 304 HG2 ARG 39 HG2 ARG 39 101.506 -0.741 -11.175 305 HG3 ARG 39 HG1 ARG 39 103.070 -1.425 -11.624 306 HD2 ARG 39 HD2 ARG 39 101.954 -3.487 -12.389 307 HD3 ARG 39 HD1 ARG 39 100.394 -2.813 -11.929 308 HE ARG 39 HE ARG 39 100.472 -1.415 -13.810 309 HH11 ARG 39 HH11 ARG 39 102.508 -0.015 -14.621 310 HH12 ARG 39 HH12 ARG 39 103.562 -0.967 -15.609 311 HH21 ARG 39 HH21 ARG 39 102.248 -3.998 -14.546 312 HH22 ARG 39 HH22 ARG 39 103.414 -3.226 -15.567 313 H PHE 40 HN PHE 40 101.445 -0.636 -6.960 314 HA PHE 40 HA PHE 40 102.075 -2.952 -5.201 315 HB2 PHE 40 HB2 PHE 40 101.924 -0.021 -4.517 316 HB3 PHE 40 HB1 PHE 40 101.865 -1.285 -3.302 317 HD1 PHE 40 HD1 PHE 40 103.961 0.184 -6.008 318 HD2 PHE 40 HD2 PHE 40 103.820 -2.402 -2.582 319 HE1 PHE 40 HE1 PHE 40 106.439 0.084 -5.980 320 HE2 PHE 40 HE2 PHE 40 106.285 -2.504 -2.556 321 HZ PHE 40 HZ PHE 40 107.604 -1.264 -4.256 322 H ARG 41 HN ARG 41 100.315 -3.937 -4.370 323 HA ARG 41 HA ARG 41 97.687 -2.633 -4.733 324 HB2 ARG 41 HB2 ARG 41 97.955 -4.814 -5.824 325 HB3 ARG 41 HB1 ARG 41 98.474 -5.533 -4.303 326 HG2 ARG 41 HG2 ARG 41 96.260 -5.017 -3.311 327 HG3 ARG 41 HG1 ARG 41 95.746 -4.314 -4.842 328 HD2 ARG 41 HD2 ARG 41 96.251 -6.530 -5.932 329 HD3 ARG 41 HD1 ARG 41 96.527 -7.192 -4.323 330 HE ARG 41 HE ARG 41 93.971 -5.879 -4.579 331 HH11 ARG 41 HH11 ARG 41 94.137 -7.983 -6.789 332 HH12 ARG 41 HH12 ARG 41 93.467 -9.370 -5.993 333 HH21 ARG 41 HH21 ARG 41 93.796 -8.034 -2.812 334 HH22 ARG 41 HH22 ARG 41 93.275 -9.397 -3.743 335 H CYS 42 HN CYS 42 96.615 -1.950 -2.972 336 HA CYS 42 HA CYS 42 97.056 -3.270 -0.399 337 HB2 CYS 42 HB2 CYS 42 98.747 -1.538 -0.343 338 HB3 CYS 42 HB1 CYS 42 97.561 -0.327 -0.819 339 HG CYS 42 HG CYS 42 97.242 -1.892 1.873 340 H ARG 43 HN ARG 43 95.168 -3.577 0.527 341 HA ARG 43 HA ARG 43 92.934 -1.688 0.034 342 HB2 ARG 43 HB2 ARG 43 92.892 -3.752 -1.463 343 HB3 ARG 43 HB1 ARG 43 92.708 -4.712 -0.001 344 HG2 ARG 43 HG2 ARG 43 90.597 -3.670 0.507 345 HG3 ARG 43 HG1 ARG 43 90.817 -2.469 -0.768 346 HD2 ARG 43 HD2 ARG 43 90.713 -4.229 -2.463 347 HD3 ARG 43 HD1 ARG 43 90.601 -5.462 -1.209 348 HE ARG 43 HE ARG 43 88.500 -3.632 -0.828 349 HH11 ARG 43 HH11 ARG 43 87.966 -3.565 -3.636 350 HH12 ARG 43 HH12 ARG 43 87.104 -5.030 -3.971 351 HH21 ARG 43 HH21 ARG 43 88.083 -6.590 -1.037 352 HH22 ARG 43 HH22 ARG 43 87.171 -6.740 -2.503 353 H VAL 44 HN VAL 44 91.014 -2.449 1.713 354 HA VAL 44 HA VAL 44 92.215 -3.376 4.205 355 HB VAL 44 HB VAL 44 92.183 -0.958 4.426 356 HG11 VAL 44 HG11 VAL 44 90.587 -0.606 2.537 357 HG12 VAL 44 HG12 VAL 44 90.206 0.357 3.966 358 HG13 VAL 44 HG13 VAL 44 89.276 -1.097 3.606 359 HG21 VAL 44 HG21 VAL 44 90.854 -0.747 6.369 360 HG22 VAL 44 HG22 VAL 44 91.204 -2.471 6.287 361 HG23 VAL 44 HG23 VAL 44 89.630 -1.862 5.766 362 H THR 45 HN THR 45 90.130 -3.855 5.755 363 HA THR 45 HA THR 45 87.806 -4.585 4.141 364 HB THR 45 HB THR 45 89.501 -6.537 4.159 365 HG1 THR 45 HG1 THR 45 86.812 -6.708 4.995 366 HG21 THR 45 HG21 THR 45 89.957 -6.288 6.643 367 HG22 THR 45 HG22 THR 45 89.563 -7.920 6.105 368 HG23 THR 45 HG23 THR 45 88.345 -6.946 6.925 369 H GLY 46 HN GLY 46 85.962 -5.185 5.462 370 HA2 GLY 46 HA2 GLY 46 85.460 -5.432 8.022 371 HA3 GLY 46 HA1 GLY 46 86.013 -3.767 8.049 372 H TYR 47 HN TYR 47 84.814 -2.184 6.885 373 HA TYR 47 HA TYR 47 82.049 -2.912 6.167 374 HB2 TYR 47 HB2 TYR 47 82.473 -1.974 8.596 375 HB3 TYR 47 HB1 TYR 47 82.601 -0.424 7.774 376 HD1 TYR 47 HD1 TYR 47 80.400 -3.472 7.711 377 HD2 TYR 47 HD2 TYR 47 80.627 0.819 7.593 378 HE1 TYR 47 HE1 TYR 47 77.923 -3.338 7.612 379 HE2 TYR 47 HE2 TYR 47 78.154 0.949 7.496 380 HH TYR 47 HH TYR 47 76.152 -1.482 8.302 381 HA PRO 48 HA PRO 48 82.974 -0.390 2.602 382 HB2 PRO 48 HB2 PRO 48 80.295 0.724 2.416 383 HB3 PRO 48 HB1 PRO 48 81.045 -0.513 1.401 384 HG2 PRO 48 HG2 PRO 48 79.066 -0.849 3.464 385 HG3 PRO 48 HG1 PRO 48 79.746 -2.071 2.380 386 HD2 PRO 48 HD2 PRO 48 80.226 -1.830 5.170 387 HD3 PRO 48 HD1 PRO 48 81.067 -2.907 4.042 388 H GLN 49 HN GLN 49 83.820 1.574 2.362 389 HA GLN 49 HA GLN 49 84.328 3.775 2.634 390 HB2 GLN 49 HB2 GLN 49 81.736 3.968 2.671 391 HB3 GLN 49 HB1 GLN 49 81.925 4.141 4.416 392 HG2 GLN 49 HG2 GLN 49 81.954 6.363 3.570 393 HG3 GLN 49 HG1 GLN 49 83.641 5.973 3.895 394 HE21 GLN 49 HE21 GLN 49 83.228 7.989 2.059 395 HE22 GLN 49 HE22 GLN 49 83.536 7.437 0.483 396 HA PRO 50 HA PRO 50 85.859 2.870 6.931 397 HB2 PRO 50 HB2 PRO 50 88.406 1.949 5.873 398 HB3 PRO 50 HB1 PRO 50 87.158 0.985 6.684 399 HG2 PRO 50 HG2 PRO 50 87.827 0.687 4.044 400 HG3 PRO 50 HG1 PRO 50 86.231 0.286 4.707 401 HD2 PRO 50 HD2 PRO 50 87.085 2.822 3.298 402 HD3 PRO 50 HD1 PRO 50 85.642 1.818 3.025 403 H LYS 51 HN LYS 51 88.179 3.593 7.814 404 HA LYS 51 HA LYS 51 88.808 6.236 6.620 405 HB2 LYS 51 HB2 LYS 51 89.153 5.105 9.397 406 HB3 LYS 51 HB1 LYS 51 89.893 6.623 8.886 407 HG2 LYS 51 HG2 LYS 51 87.655 7.510 8.313 408 HG3 LYS 51 HG1 LYS 51 86.924 5.991 8.830 409 HD2 LYS 51 HD2 LYS 51 87.784 6.339 11.113 410 HD3 LYS 51 HD1 LYS 51 88.539 7.850 10.603 411 HE2 LYS 51 HE2 LYS 51 86.341 8.778 10.026 412 HE3 LYS 51 HE1 LYS 51 85.566 7.261 10.479 413 HZ1 LYS 51 HZ1 LYS 51 86.410 9.414 12.133 414 HZ2 LYS 51 HZ2 LYS 51 87.117 7.952 12.634 415 HZ3 LYS 51 HZ3 LYS 51 85.428 8.085 12.517 416 H VAL 52 HN VAL 52 90.830 6.573 5.766 417 HA VAL 52 HA VAL 52 92.977 4.657 6.410 418 HB VAL 52 HB VAL 52 92.245 5.371 3.567 419 HG11 VAL 52 HG11 VAL 52 94.252 3.487 4.839 420 HG12 VAL 52 HG12 VAL 52 94.595 4.878 3.811 421 HG13 VAL 52 HG13 VAL 52 93.830 3.444 3.129 422 HG21 VAL 52 HG21 VAL 52 91.711 2.864 5.188 423 HG22 VAL 52 HG22 VAL 52 91.541 2.973 3.436 424 HG23 VAL 52 HG23 VAL 52 90.504 3.940 4.481 425 H ASN 53 HN ASN 53 94.967 5.463 6.422 426 HA ASN 53 HA ASN 53 95.460 8.186 5.368 427 HB2 ASN 53 HB2 ASN 53 96.409 7.083 8.026 428 HB3 ASN 53 HB1 ASN 53 96.880 8.635 7.335 429 HD21 ASN 53 HD21 ASN 53 93.863 8.571 6.256 430 HD22 ASN 53 HD22 ASN 53 93.015 9.209 7.582 431 H TRP 54 HN TRP 54 97.192 8.239 4.051 432 HA TRP 54 HA TRP 54 98.953 5.845 3.987 433 HB2 TRP 54 HB2 TRP 54 97.836 7.697 1.919 434 HB3 TRP 54 HB1 TRP 54 99.406 6.967 1.598 435 HD1 TRP 54 HD1 TRP 54 95.731 6.170 1.809 436 HE1 TRP 54 HE1 TRP 54 95.348 3.759 0.994 437 HE3 TRP 54 HE3 TRP 54 100.559 4.573 1.645 438 HZ2 TRP 54 HZ2 TRP 54 96.922 1.422 0.465 439 HZ3 TRP 54 HZ3 TRP 54 101.097 2.244 1.002 440 HH2 TRP 54 HH2 TRP 54 99.290 0.666 0.407 441 H TYR 55 HN TYR 55 101.073 5.986 4.140 442 HA TYR 55 HA TYR 55 102.345 8.662 4.258 443 HB2 TYR 55 HB2 TYR 55 102.835 6.230 5.969 444 HB3 TYR 55 HB1 TYR 55 103.970 7.569 5.865 445 HD1 TYR 55 HD1 TYR 55 103.674 9.477 7.213 446 HD2 TYR 55 HD2 TYR 55 100.387 6.783 6.597 447 HE1 TYR 55 HE1 TYR 55 102.337 10.729 8.885 448 HE2 TYR 55 HE2 TYR 55 99.046 8.035 8.269 449 HH TYR 55 HH TYR 55 99.009 10.364 9.223 450 H LEU 56 HN LEU 56 103.274 8.702 2.221 451 HA LEU 56 HA LEU 56 104.704 6.336 1.232 452 HB2 LEU 56 HB2 LEU 56 103.932 9.005 0.050 453 HB3 LEU 56 HB1 LEU 56 105.152 7.999 -0.733 454 HG LEU 56 HG LEU 56 103.567 6.134 -0.866 455 HD11 LEU 56 HD11 LEU 56 102.226 6.404 1.079 456 HD12 LEU 56 HD12 LEU 56 101.129 6.699 -0.271 457 HD13 LEU 56 HD13 LEU 56 101.788 8.056 0.644 458 HD21 LEU 56 HD21 LEU 56 103.527 7.620 -2.761 459 HD22 LEU 56 HD22 LEU 56 102.548 8.799 -1.888 460 HD23 LEU 56 HD23 LEU 56 101.847 7.255 -2.368 461 H ASN 57 HN ASN 57 106.958 6.154 1.161 462 HA ASN 57 HA ASN 57 109.080 6.551 1.887 463 HB2 ASN 57 HB2 ASN 57 108.417 9.321 0.870 464 HB3 ASN 57 HB1 ASN 57 110.033 8.650 1.083 465 HD21 ASN 57 HD21 ASN 57 109.571 6.017 0.051 466 HD22 ASN 57 HD22 ASN 57 109.236 6.152 -1.608 467 H GLY 58 HN GLY 58 106.612 7.588 3.638 468 HA2 GLY 58 HA2 GLY 58 106.758 8.007 5.983 469 HA3 GLY 58 HA1 GLY 58 108.334 8.756 5.732 470 H GLN 59 HN GLN 59 105.758 9.486 3.551 471 HA GLN 59 HA GLN 59 105.329 12.145 4.798 472 HB2 GLN 59 HB2 GLN 59 106.735 12.263 2.731 473 HB3 GLN 59 HB1 GLN 59 105.401 11.534 1.834 474 HG2 GLN 59 HG2 GLN 59 103.930 13.400 2.470 475 HG3 GLN 59 HG1 GLN 59 105.240 14.124 3.402 476 HE21 GLN 59 HE21 GLN 59 106.326 15.730 2.271 477 HE22 GLN 59 HE22 GLN 59 106.494 15.793 0.584 478 H LEU 60 HN LEU 60 103.274 12.546 5.272 479 HA LEU 60 HA LEU 60 101.220 10.678 4.644 480 HB2 LEU 60 HB2 LEU 60 100.043 13.097 5.643 481 HB3 LEU 60 HB1 LEU 60 100.318 11.592 6.510 482 HG LEU 60 HG LEU 60 102.697 12.400 6.936 483 HD11 LEU 60 HD11 LEU 60 102.424 14.196 5.044 484 HD12 LEU 60 HD12 LEU 60 103.288 14.644 6.511 485 HD13 LEU 60 HD13 LEU 60 101.611 15.146 6.286 486 HD21 LEU 60 HD21 LEU 60 100.453 14.126 8.021 487 HD22 LEU 60 HD22 LEU 60 102.010 13.823 8.792 488 HD23 LEU 60 HD23 LEU 60 100.849 12.510 8.604 489 H ILE 61 HN ILE 61 99.344 10.986 3.449 490 HA ILE 61 HA ILE 61 98.084 11.533 1.688 491 HB ILE 61 HB ILE 61 97.573 13.651 2.633 492 HG12 ILE 61 HG12 ILE 61 97.087 14.932 0.614 493 HG13 ILE 61 HG11 ILE 61 98.327 14.061 -0.280 494 HG21 ILE 61 HG21 ILE 61 99.649 14.670 3.153 495 HG22 ILE 61 HG22 ILE 61 98.898 15.694 1.939 496 HG23 ILE 61 HG23 ILE 61 100.189 14.597 1.471 497 HD11 ILE 61 HD11 ILE 61 96.074 12.548 1.032 498 HD12 ILE 61 HD12 ILE 61 97.064 12.082 -0.351 499 HD13 ILE 61 HD13 ILE 61 95.830 13.323 -0.533 500 H ARG 62 HN ARG 62 98.380 10.630 -0.071 501 HA ARG 62 HA ARG 62 100.829 11.082 -1.670 502 HB2 ARG 62 HB2 ARG 62 100.199 9.022 -2.842 503 HB3 ARG 62 HB1 ARG 62 100.246 8.724 -1.104 504 HG2 ARG 62 HG2 ARG 62 97.760 9.194 -1.065 505 HG3 ARG 62 HG1 ARG 62 97.805 9.182 -2.822 506 HD2 ARG 62 HD2 ARG 62 98.761 6.885 -2.764 507 HD3 ARG 62 HD1 ARG 62 98.623 6.898 -1.007 508 HE ARG 62 HE ARG 62 96.508 6.398 -2.858 509 HH11 ARG 62 HH11 ARG 62 94.442 6.085 -1.968 510 HH12 ARG 62 HH12 ARG 62 94.086 6.698 -0.387 511 HH21 ARG 62 HH21 ARG 62 97.265 7.974 0.125 512 HH22 ARG 62 HH22 ARG 62 95.680 7.770 0.793 513 H LYS 63 HN LYS 63 100.644 12.013 -3.694 514 HA LYS 63 HA LYS 63 98.525 13.741 -4.163 515 HB2 LYS 63 HB2 LYS 63 100.530 12.665 -6.147 516 HB3 LYS 63 HB1 LYS 63 99.502 14.072 -6.413 517 HG2 LYS 63 HG2 LYS 63 101.253 13.925 -3.960 518 HG3 LYS 63 HG1 LYS 63 101.940 14.420 -5.504 519 HD2 LYS 63 HD2 LYS 63 100.553 16.337 -5.648 520 HD3 LYS 63 HD1 LYS 63 99.446 15.747 -4.417 521 HE2 LYS 63 HE2 LYS 63 101.043 16.084 -2.675 522 HE3 LYS 63 HE1 LYS 63 102.345 16.358 -3.834 523 HZ1 LYS 63 HZ1 LYS 63 101.418 18.414 -2.837 524 HZ2 LYS 63 HZ2 LYS 63 99.939 18.082 -3.604 525 HZ3 LYS 63 HZ3 LYS 63 101.331 18.382 -4.530 526 H SER 64 HN SER 64 96.860 13.862 -5.525 527 HA SER 64 HA SER 64 95.391 11.451 -5.989 528 HB2 SER 64 HB2 SER 64 94.384 13.642 -5.290 529 HB3 SER 64 HB1 SER 64 94.727 14.254 -6.904 530 HG SER 64 HG SER 64 93.157 13.067 -7.686 531 H LYS 65 HN LYS 65 94.203 12.928 -8.391 532 HA LYS 65 HA LYS 65 94.321 11.564 -10.494 533 HB2 LYS 65 HB2 LYS 65 95.193 14.448 -10.554 534 HB3 LYS 65 HB1 LYS 65 94.714 13.533 -11.987 535 HG2 LYS 65 HG2 LYS 65 92.521 13.052 -10.951 536 HG3 LYS 65 HG1 LYS 65 92.995 13.971 -9.523 537 HD2 LYS 65 HD2 LYS 65 93.269 15.994 -10.933 538 HD3 LYS 65 HD1 LYS 65 92.731 15.072 -12.337 539 HE2 LYS 65 HE2 LYS 65 91.067 15.336 -9.823 540 HE3 LYS 65 HE1 LYS 65 90.925 16.452 -11.182 541 HZ1 LYS 65 HZ1 LYS 65 90.828 14.029 -12.373 542 HZ2 LYS 65 HZ2 LYS 65 89.473 14.973 -11.972 543 HZ3 LYS 65 HZ3 LYS 65 89.994 13.740 -10.925 544 H ARG 66 HN ARG 66 97.446 13.043 -9.529 545 HA ARG 66 HA ARG 66 98.869 12.223 -11.834 546 HB2 ARG 66 HB2 ARG 66 99.814 13.836 -10.251 547 HB3 ARG 66 HB1 ARG 66 99.868 12.599 -8.995 548 HG2 ARG 66 HG2 ARG 66 101.489 11.308 -10.233 549 HG3 ARG 66 HG1 ARG 66 101.314 12.347 -11.647 550 HD2 ARG 66 HD2 ARG 66 102.271 13.358 -8.960 551 HD3 ARG 66 HD1 ARG 66 103.366 12.813 -10.227 552 HE ARG 66 HE ARG 66 101.627 14.719 -11.342 553 HH11 ARG 66 HH11 ARG 66 104.751 14.351 -10.224 554 HH12 ARG 66 HH12 ARG 66 105.036 16.022 -9.872 555 HH21 ARG 66 HH21 ARG 66 101.728 16.957 -10.339 556 HH22 ARG 66 HH22 ARG 66 103.323 17.497 -9.937 557 H PHE 67 HN PHE 67 98.115 10.604 -8.799 558 HA PHE 67 HA PHE 67 99.064 8.023 -9.929 559 HB2 PHE 67 HB2 PHE 67 99.024 8.960 -7.042 560 HB3 PHE 67 HB1 PHE 67 99.377 7.311 -7.551 561 HD1 PHE 67 HD1 PHE 67 100.581 10.784 -7.500 562 HD2 PHE 67 HD2 PHE 67 101.457 6.760 -8.694 563 HE1 PHE 67 HE1 PHE 67 102.953 11.410 -7.863 564 HE2 PHE 67 HE2 PHE 67 103.827 7.384 -9.068 565 HZ PHE 67 HZ PHE 67 104.575 9.710 -8.650 566 H ARG 68 HN ARG 68 97.708 6.152 -9.351 567 HA ARG 68 HA ARG 68 94.922 6.764 -9.398 568 HB2 ARG 68 HB2 ARG 68 96.468 4.199 -8.968 569 HB3 ARG 68 HB1 ARG 68 94.706 4.259 -9.022 570 HG2 ARG 68 HG2 ARG 68 94.780 5.200 -11.282 571 HG3 ARG 68 HG1 ARG 68 96.543 5.234 -11.232 572 HD2 ARG 68 HD2 ARG 68 96.604 2.791 -11.003 573 HD3 ARG 68 HD1 ARG 68 94.845 2.733 -10.988 574 HE ARG 68 HE ARG 68 95.644 4.035 -13.348 575 HH11 ARG 68 HH11 ARG 68 96.493 1.049 -11.877 576 HH12 ARG 68 HH12 ARG 68 96.264 0.102 -13.310 577 HH21 ARG 68 HH21 ARG 68 95.062 2.756 -15.190 578 HH22 ARG 68 HH22 ARG 68 95.451 1.069 -15.185 579 H VAL 69 HN VAL 69 93.913 7.604 -7.685 580 HA VAL 69 HA VAL 69 94.361 6.398 -5.018 581 HB VAL 69 HB VAL 69 94.289 9.341 -5.717 582 HG11 VAL 69 HG11 VAL 69 94.003 7.938 -3.052 583 HG12 VAL 69 HG12 VAL 69 92.931 9.148 -3.757 584 HG13 VAL 69 HG13 VAL 69 94.533 9.615 -3.188 585 HG21 VAL 69 HG21 VAL 69 96.314 7.726 -4.156 586 HG22 VAL 69 HG22 VAL 69 96.471 9.397 -4.697 587 HG23 VAL 69 HG23 VAL 69 96.470 8.084 -5.875 588 H ARG 70 HN ARG 70 92.547 5.922 -3.954 589 HA ARG 70 HA ARG 70 90.100 7.435 -4.431 590 HB2 ARG 70 HB2 ARG 70 89.991 5.568 -6.074 591 HB3 ARG 70 HB1 ARG 70 90.190 4.423 -4.754 592 HG2 ARG 70 HG2 ARG 70 88.127 5.207 -3.709 593 HG3 ARG 70 HG1 ARG 70 87.944 6.446 -4.952 594 HD2 ARG 70 HD2 ARG 70 87.749 4.706 -6.678 595 HD3 ARG 70 HD1 ARG 70 87.971 3.458 -5.453 596 HE ARG 70 HE ARG 70 85.776 3.828 -4.720 597 HH11 ARG 70 HH11 ARG 70 86.829 6.390 -6.782 598 HH12 ARG 70 HH12 ARG 70 85.229 6.961 -7.129 599 HH21 ARG 70 HH21 ARG 70 83.660 4.482 -5.273 600 HH22 ARG 70 HH22 ARG 70 83.432 5.875 -6.277 601 H TYR 71 HN TYR 71 90.138 8.161 -2.353 602 HA TYR 71 HA TYR 71 90.853 6.454 -0.170 603 HB2 TYR 71 HB2 TYR 71 89.730 9.242 -0.408 604 HB3 TYR 71 HB1 TYR 71 89.784 8.452 1.165 605 HD1 TYR 71 HD1 TYR 71 91.677 10.313 -1.274 606 HD2 TYR 71 HD2 TYR 71 92.044 7.487 1.942 607 HE1 TYR 71 HE1 TYR 71 94.060 10.917 -1.016 608 HE2 TYR 71 HE2 TYR 71 94.431 8.094 2.198 609 HH TYR 71 HH TYR 71 96.191 9.630 -0.047 610 H ASP 72 HN ASP 72 89.486 4.686 -0.379 611 HA ASP 72 HA ASP 72 87.032 4.859 1.081 612 HB2 ASP 72 HB2 ASP 72 86.977 4.228 -1.882 613 HB3 ASP 72 HB1 ASP 72 85.686 3.772 -0.772 614 H GLY 73 HN GLY 73 89.735 3.619 0.939 615 HA2 GLY 73 HA2 GLY 73 90.331 1.597 2.019 616 HA3 GLY 73 HA1 GLY 73 88.932 0.804 1.304 617 H ILE 74 HN ILE 74 89.789 2.417 -1.228 618 HA ILE 74 HA ILE 74 91.571 0.329 -2.310 619 HB ILE 74 HB ILE 74 89.873 2.425 -3.673 620 HG12 ILE 74 HG12 ILE 74 88.534 0.366 -4.343 621 HG13 ILE 74 HG11 ILE 74 89.485 -0.548 -3.178 622 HG21 ILE 74 HG21 ILE 74 90.329 0.900 -5.673 623 HG22 ILE 74 HG22 ILE 74 91.621 0.192 -4.702 624 HG23 ILE 74 HG23 ILE 74 91.671 1.905 -5.125 625 HD11 ILE 74 HD11 ILE 74 88.439 0.411 -1.365 626 HD12 ILE 74 HD12 ILE 74 87.133 0.570 -2.533 627 HD13 ILE 74 HD13 ILE 74 88.169 1.951 -2.184 628 H HIS 75 HN HIS 75 93.699 0.845 -2.350 629 HA HIS 75 HA HIS 75 94.442 3.526 -3.330 630 HB2 HIS 75 HB2 HIS 75 96.309 2.821 -1.272 631 HB3 HIS 75 HB1 HIS 75 95.232 4.205 -1.326 632 HD1 HIS 75 HD1 HIS 75 95.198 0.542 -0.271 633 HD2 HIS 75 HD2 HIS 75 93.108 4.077 0.463 634 HE1 HIS 75 HE1 HIS 75 93.546 0.030 1.582 635 H TYR 76 HN TYR 76 95.467 3.107 -5.133 636 HA TYR 76 HA TYR 76 97.443 0.892 -5.264 637 HB2 TYR 76 HB2 TYR 76 96.082 2.440 -7.486 638 HB3 TYR 76 HB1 TYR 76 97.239 1.132 -7.714 639 HD1 TYR 76 HD1 TYR 76 96.653 -1.124 -6.438 640 HD2 TYR 76 HD2 TYR 76 93.798 1.920 -7.465 641 HE1 TYR 76 HE1 TYR 76 94.820 -2.791 -6.324 642 HE2 TYR 76 HE2 TYR 76 91.970 0.252 -7.334 643 HH TYR 76 HH TYR 76 91.508 -1.895 -6.329 644 H LEU 77 HN LEU 77 99.571 1.420 -5.295 645 HA LEU 77 HA LEU 77 100.339 4.224 -5.909 646 HB2 LEU 77 HB2 LEU 77 102.153 2.228 -4.569 647 HB3 LEU 77 HB1 LEU 77 102.222 3.981 -4.533 648 HG LEU 77 HG LEU 77 100.082 2.273 -3.240 649 HD11 LEU 77 HD11 LEU 77 102.021 2.108 -1.897 650 HD12 LEU 77 HD12 LEU 77 101.107 3.425 -1.167 651 HD13 LEU 77 HD13 LEU 77 102.486 3.781 -2.202 652 HD21 LEU 77 HD21 LEU 77 100.486 5.265 -3.477 653 HD22 LEU 77 HD22 LEU 77 99.468 4.544 -2.231 654 HD23 LEU 77 HD23 LEU 77 99.065 4.325 -3.932 655 H ASP 78 HN ASP 78 100.855 4.344 -8.060 656 HA ASP 78 HA ASP 78 102.601 2.203 -9.162 657 HB2 ASP 78 HB2 ASP 78 101.615 2.705 -11.362 658 HB3 ASP 78 HB1 ASP 78 100.413 2.134 -10.208 659 H ILE 79 HN ILE 79 104.608 2.869 -9.429 660 HA ILE 79 HA ILE 79 105.295 5.670 -9.708 661 HB ILE 79 HB ILE 79 107.058 3.229 -10.042 662 HG12 ILE 79 HG12 ILE 79 106.711 4.984 -7.592 663 HG13 ILE 79 HG11 ILE 79 105.898 3.432 -7.791 664 HG21 ILE 79 HG21 ILE 79 108.808 4.997 -9.337 665 HG22 ILE 79 HG22 ILE 79 107.577 6.188 -9.744 666 HG23 ILE 79 HG23 ILE 79 108.184 5.085 -10.979 667 HD11 ILE 79 HD11 ILE 79 108.858 3.977 -7.548 668 HD12 ILE 79 HD12 ILE 79 108.261 2.463 -8.225 669 HD13 ILE 79 HD13 ILE 79 107.859 2.906 -6.566 670 H VAL 80 HN VAL 80 106.664 6.411 -11.557 671 HA VAL 80 HA VAL 80 106.193 4.947 -14.068 672 HB VAL 80 HB VAL 80 105.811 7.283 -15.114 673 HG11 VAL 80 HG11 VAL 80 103.676 6.104 -13.305 674 HG12 VAL 80 HG12 VAL 80 104.066 5.529 -14.927 675 HG13 VAL 80 HG13 VAL 80 103.390 7.142 -14.702 676 HG21 VAL 80 HG21 VAL 80 106.434 8.469 -12.961 677 HG22 VAL 80 HG22 VAL 80 104.915 7.891 -12.281 678 HG23 VAL 80 HG23 VAL 80 104.903 8.987 -13.664 679 H ASP 81 HN ASP 81 107.722 5.839 -15.771 680 HA ASP 81 HA ASP 81 110.338 5.993 -14.655 681 HB2 ASP 81 HB2 ASP 81 109.263 6.436 -17.443 682 HB3 ASP 81 HB1 ASP 81 110.977 6.590 -17.057 683 H CYS 82 HN CYS 82 109.471 7.867 -13.199 684 HA CYS 82 HA CYS 82 110.318 10.410 -14.443 685 HB2 CYS 82 HB2 CYS 82 108.014 10.130 -12.514 686 HB3 CYS 82 HB1 CYS 82 108.562 11.608 -13.302 687 HG CYS 82 HG CYS 82 106.891 9.386 -14.626 688 H LYS 83 HN LYS 83 109.160 9.551 -11.203 689 HA LYS 83 HA LYS 83 111.810 10.321 -10.094 690 HB2 LYS 83 HB2 LYS 83 109.111 10.881 -8.837 691 HB3 LYS 83 HB1 LYS 83 110.691 11.429 -8.272 692 HG2 LYS 83 HG2 LYS 83 110.992 12.710 -10.367 693 HG3 LYS 83 HG1 LYS 83 109.409 12.166 -10.918 694 HD2 LYS 83 HD2 LYS 83 109.071 14.356 -10.012 695 HD3 LYS 83 HD1 LYS 83 108.434 13.225 -8.818 696 HE2 LYS 83 HE2 LYS 83 110.282 13.528 -7.374 697 HE3 LYS 83 HE1 LYS 83 111.281 14.224 -8.649 698 HZ1 LYS 83 HZ1 LYS 83 109.856 15.625 -6.826 699 HZ2 LYS 83 HZ2 LYS 83 108.841 15.666 -8.188 700 HZ3 LYS 83 HZ3 LYS 83 110.438 16.237 -8.298 701 H SER 84 HN SER 84 112.655 8.390 -9.488 702 HA SER 84 HA SER 84 111.151 6.832 -7.514 703 HB2 SER 84 HB2 SER 84 111.073 4.897 -8.728 704 HB3 SER 84 HB1 SER 84 111.188 5.985 -10.106 705 HG SER 84 HG SER 84 112.772 4.147 -9.828 706 H TYR 85 HN TYR 85 114.197 7.566 -9.119 707 HA TYR 85 HA TYR 85 116.025 6.052 -7.695 708 HB2 TYR 85 HB2 TYR 85 117.685 7.538 -8.480 709 HB3 TYR 85 HB1 TYR 85 116.420 7.581 -9.696 710 HD1 TYR 85 HD1 TYR 85 114.414 9.388 -8.871 711 HD2 TYR 85 HD2 TYR 85 118.632 9.636 -8.089 712 HE1 TYR 85 HE1 TYR 85 114.216 11.833 -8.578 713 HE2 TYR 85 HE2 TYR 85 118.428 12.089 -7.798 714 HH TYR 85 HH TYR 85 115.575 13.647 -7.290 715 H ASP 86 HN ASP 86 114.543 6.390 -5.550 716 HA ASP 86 HA ASP 86 116.283 7.758 -3.726 717 HB2 ASP 86 HB2 ASP 86 114.885 9.632 -4.568 718 HB3 ASP 86 HB1 ASP 86 113.446 8.773 -4.020 719 H THR 87 HN THR 87 116.386 6.482 -2.000 720 HA THR 87 HA THR 87 114.320 4.491 -1.548 721 HB THR 87 HB THR 87 115.872 3.477 -0.044 722 HG1 THR 87 HG1 THR 87 117.415 4.578 0.933 723 HG21 THR 87 HG21 THR 87 117.924 3.354 -1.433 724 HG22 THR 87 HG22 THR 87 117.374 4.759 -2.347 725 HG23 THR 87 HG23 THR 87 116.463 3.251 -2.414 726 H GLY 88 HN GLY 88 112.760 4.561 -0.002 727 HA2 GLY 88 HA2 GLY 88 113.070 6.373 2.302 728 HA3 GLY 88 HA1 GLY 88 111.656 6.553 1.267 729 H GLU 89 HN GLU 89 110.307 6.025 3.110 730 HA GLU 89 HA GLU 89 110.075 3.102 3.494 731 HB2 GLU 89 HB2 GLU 89 109.691 3.415 5.913 732 HB3 GLU 89 HB1 GLU 89 111.319 3.901 5.438 733 HG2 GLU 89 HG2 GLU 89 110.590 6.259 5.350 734 HG3 GLU 89 HG1 GLU 89 108.968 5.774 5.842 735 H VAL 90 HN VAL 90 107.996 2.340 3.620 736 HA VAL 90 HA VAL 90 105.828 4.347 3.417 737 HB VAL 90 HB VAL 90 106.050 1.519 2.344 738 HG11 VAL 90 HG11 VAL 90 103.780 1.783 2.995 739 HG12 VAL 90 HG12 VAL 90 103.804 2.167 1.274 740 HG13 VAL 90 HG13 VAL 90 103.742 3.465 2.466 741 HG21 VAL 90 HG21 VAL 90 106.061 4.265 1.083 742 HG22 VAL 90 HG22 VAL 90 105.650 2.822 0.155 743 HG23 VAL 90 HG23 VAL 90 107.244 2.970 0.894 744 H LYS 91 HN LYS 91 104.170 4.221 4.820 745 HA LYS 91 HA LYS 91 103.901 1.893 6.606 746 HB2 LYS 91 HB2 LYS 91 105.139 3.599 7.867 747 HB3 LYS 91 HB1 LYS 91 103.919 4.805 7.464 748 HG2 LYS 91 HG2 LYS 91 102.215 3.549 8.680 749 HG3 LYS 91 HG1 LYS 91 103.370 2.257 9.013 750 HD2 LYS 91 HD2 LYS 91 104.773 3.858 10.277 751 HD3 LYS 91 HD1 LYS 91 103.590 5.130 9.963 752 HE2 LYS 91 HE2 LYS 91 102.962 2.530 11.391 753 HE3 LYS 91 HE1 LYS 91 103.303 4.057 12.208 754 HZ1 LYS 91 HZ1 LYS 91 101.074 3.500 10.330 755 HZ2 LYS 91 HZ2 LYS 91 101.444 5.042 10.939 756 HZ3 LYS 91 HZ3 LYS 91 100.950 3.803 11.993 757 H VAL 92 HN VAL 92 101.857 1.151 6.440 758 HA VAL 92 HA VAL 92 99.745 3.034 5.542 759 HB VAL 92 HB VAL 92 99.861 0.022 5.297 760 HG11 VAL 92 HG11 VAL 92 98.097 0.597 3.499 761 HG12 VAL 92 HG12 VAL 92 97.984 2.166 4.295 762 HG13 VAL 92 HG13 VAL 92 97.596 0.695 5.187 763 HG21 VAL 92 HG21 VAL 92 101.605 0.778 3.908 764 HG22 VAL 92 HG22 VAL 92 100.743 2.247 3.464 765 HG23 VAL 92 HG23 VAL 92 100.227 0.689 2.811 766 H THR 93 HN THR 93 98.012 3.334 6.806 767 HA THR 93 HA THR 93 97.417 1.388 8.943 768 HB THR 93 HB THR 93 98.919 2.962 10.037 769 HG1 THR 93 HG1 THR 93 96.193 3.489 10.619 770 HG21 THR 93 HG21 THR 93 98.446 5.355 10.072 771 HG22 THR 93 HG22 THR 93 96.996 5.103 9.100 772 HG23 THR 93 HG23 THR 93 98.587 4.812 8.399 773 H ALA 94 HN ALA 94 95.300 1.652 9.850 774 HA ALA 94 HA ALA 94 93.501 3.512 8.463 775 HB1 ALA 94 HB1 ALA 94 93.284 1.595 7.060 776 HB2 ALA 94 HB2 ALA 94 91.891 1.567 8.139 777 HB3 ALA 94 HB3 ALA 94 93.262 0.500 8.440 778 H GLU 95 HN GLU 95 91.517 3.797 9.555 779 HA GLU 95 HA GLU 95 91.557 2.948 12.396 780 HB2 GLU 95 HB2 GLU 95 92.021 5.342 12.069 781 HB3 GLU 95 HB1 GLU 95 90.512 5.522 11.187 782 HG2 GLU 95 HG2 GLU 95 89.243 4.835 13.176 783 HG3 GLU 95 HG1 GLU 95 90.748 4.602 14.066 784 H ASN 96 HN ASN 96 89.415 2.751 13.380 785 HA ASN 96 HA ASN 96 87.113 2.461 11.662 786 HB2 ASN 96 HB2 ASN 96 88.749 0.143 12.563 787 HB3 ASN 96 HB1 ASN 96 87.022 -0.030 12.840 788 HD21 ASN 96 HD21 ASN 96 89.451 0.552 10.273 789 HD22 ASN 96 HD22 ASN 96 88.461 0.020 9.000 790 HA PRO 97 HA PRO 97 84.890 3.649 15.247 791 HB2 PRO 97 HB2 PRO 97 83.290 1.257 15.607 792 HB3 PRO 97 HB1 PRO 97 82.795 2.803 14.898 793 HG2 PRO 97 HG2 PRO 97 83.617 0.312 13.555 794 HG3 PRO 97 HG1 PRO 97 82.653 1.660 12.933 795 HD2 PRO 97 HD2 PRO 97 85.205 1.193 12.106 796 HD3 PRO 97 HD1 PRO 97 84.523 2.832 12.194 797 H GLU 98 HN GLU 98 85.403 0.135 15.498 798 HA GLU 98 HA GLU 98 86.672 0.549 18.159 799 HB2 GLU 98 HB2 GLU 98 84.931 -1.721 17.179 800 HB3 GLU 98 HB1 GLU 98 85.825 -1.742 18.700 801 HG2 GLU 98 HG2 GLU 98 84.631 0.272 19.450 802 HG3 GLU 98 HG1 GLU 98 83.755 0.332 17.921 803 H GLY 99 HN GLY 99 87.899 0.297 15.348 804 HA2 GLY 99 HA2 GLY 99 89.776 -1.882 16.038 805 HA3 GLY 99 HA1 GLY 99 89.135 -1.715 14.406 806 H VAL 100 HN VAL 100 91.814 -1.268 16.010 807 HA VAL 100 HA VAL 100 92.625 1.134 14.465 808 HB VAL 100 HB VAL 100 93.472 0.318 17.256 809 HG11 VAL 100 HG11 VAL 100 94.553 2.379 15.337 810 HG12 VAL 100 HG12 VAL 100 95.435 1.095 16.166 811 HG13 VAL 100 HG13 VAL 100 94.825 2.476 17.076 812 HG21 VAL 100 HG21 VAL 100 92.320 2.977 16.399 813 HG22 VAL 100 HG22 VAL 100 92.383 2.271 18.015 814 HG23 VAL 100 HG23 VAL 100 91.262 1.628 16.816 815 H ILE 101 HN ILE 101 94.261 0.687 13.087 816 HA ILE 101 HA ILE 101 96.106 -1.520 13.700 817 HB ILE 101 HB ILE 101 95.762 -2.239 11.214 818 HG12 ILE 101 HG12 ILE 101 93.094 -0.903 11.804 819 HG13 ILE 101 HG11 ILE 101 94.300 -0.288 10.667 820 HG21 ILE 101 HG21 ILE 101 95.134 -3.566 13.263 821 HG22 ILE 101 HG22 ILE 101 94.088 -3.845 11.873 822 HG23 ILE 101 HG23 ILE 101 93.541 -2.810 13.193 823 HD11 ILE 101 HD11 ILE 101 94.171 -2.501 9.469 824 HD12 ILE 101 HD12 ILE 101 92.689 -1.557 9.393 825 HD13 ILE 101 HD13 ILE 101 92.812 -2.920 10.504 826 H GLU 102 HN GLU 102 98.023 -1.552 12.590 827 HA GLU 102 HA GLU 102 98.736 0.563 10.739 828 HB2 GLU 102 HB2 GLU 102 100.575 1.435 12.105 829 HB3 GLU 102 HB1 GLU 102 99.038 1.664 12.937 830 HG2 GLU 102 HG2 GLU 102 99.462 -0.392 14.256 831 HG3 GLU 102 HG1 GLU 102 101.023 -0.568 13.458 832 H HIS 103 HN HIS 103 100.696 0.070 9.602 833 HA HIS 103 HA HIS 103 102.056 -2.448 10.288 834 HB2 HIS 103 HB2 HIS 103 100.032 -2.693 8.617 835 HB3 HIS 103 HB1 HIS 103 101.152 -2.001 7.446 836 HD1 HIS 103 HD1 HIS 103 100.053 -5.170 8.525 837 HD2 HIS 103 HD2 HIS 103 103.838 -3.592 7.766 838 HE1 HIS 103 HE1 HIS 103 101.581 -7.146 8.122 839 H LYS 104 HN LYS 104 104.210 -2.355 9.879 840 HA LYS 104 HA LYS 104 105.232 0.032 8.445 841 HB2 LYS 104 HB2 LYS 104 105.817 -0.522 10.940 842 HB3 LYS 104 HB1 LYS 104 106.918 -1.707 10.241 843 HG2 LYS 104 HG2 LYS 104 108.055 0.042 8.960 844 HG3 LYS 104 HG1 LYS 104 106.891 1.244 9.514 845 HD2 LYS 104 HD2 LYS 104 108.646 1.625 11.002 846 HD3 LYS 104 HD1 LYS 104 107.682 0.475 11.925 847 HE2 LYS 104 HE2 LYS 104 109.889 -0.371 12.069 848 HE3 LYS 104 HE1 LYS 104 109.142 -1.349 10.807 849 HZ1 LYS 104 HZ1 LYS 104 111.110 0.818 10.552 850 HZ2 LYS 104 HZ2 LYS 104 110.043 0.508 9.268 851 HZ3 LYS 104 HZ3 LYS 104 111.093 -0.710 9.816 852 H VAL 105 HN VAL 105 106.248 -0.199 6.589 853 HA VAL 105 HA VAL 105 107.679 -2.673 5.927 854 HB VAL 105 HB VAL 105 105.295 -2.822 5.045 855 HG11 VAL 105 HG11 VAL 105 104.693 -1.490 3.124 856 HG12 VAL 105 HG12 VAL 105 106.270 -0.702 3.108 857 HG13 VAL 105 HG13 VAL 105 105.141 -0.394 4.427 858 HG21 VAL 105 HG21 VAL 105 107.244 -4.078 4.106 859 HG22 VAL 105 HG22 VAL 105 107.495 -2.760 2.962 860 HG23 VAL 105 HG23 VAL 105 106.010 -3.711 2.900 861 H LYS 106 HN LYS 106 109.464 -2.308 4.597 862 HA LYS 106 HA LYS 106 110.040 0.548 4.025 863 HB2 LYS 106 HB2 LYS 106 111.883 -1.774 4.618 864 HB3 LYS 106 HB1 LYS 106 112.433 -0.180 4.098 865 HG2 LYS 106 HG2 LYS 106 111.390 0.865 6.039 866 HG3 LYS 106 HG1 LYS 106 110.695 -0.676 6.532 867 HD2 LYS 106 HD2 LYS 106 112.660 -0.315 7.881 868 HD3 LYS 106 HD1 LYS 106 113.042 -1.585 6.721 869 HE2 LYS 106 HE2 LYS 106 114.362 -0.140 5.394 870 HE3 LYS 106 HE1 LYS 106 113.670 1.309 6.125 871 HZ1 LYS 106 HZ1 LYS 106 114.832 0.946 8.102 872 HZ2 LYS 106 HZ2 LYS 106 115.969 0.625 6.881 873 HZ3 LYS 106 HZ3 LYS 106 115.215 -0.657 7.704 874 H LEU 107 HN LEU 107 110.471 1.231 2.075 875 HA LEU 107 HA LEU 107 110.911 -0.715 -0.133 876 HB2 LEU 107 HB2 LEU 107 109.172 1.754 -0.015 877 HB3 LEU 107 HB1 LEU 107 109.791 1.149 -1.550 878 HG LEU 107 HG LEU 107 108.775 -1.076 -1.035 879 HD11 LEU 107 HD11 LEU 107 108.136 0.319 1.515 880 HD12 LEU 107 HD12 LEU 107 108.331 -1.399 1.181 881 HD13 LEU 107 HD13 LEU 107 106.805 -0.608 0.822 882 HD21 LEU 107 HD21 LEU 107 107.014 1.388 -1.134 883 HD22 LEU 107 HD22 LEU 107 106.383 -0.246 -1.344 884 HD23 LEU 107 HD23 LEU 107 107.560 0.397 -2.488 885 H GLU 108 HN GLU 108 112.837 -0.374 -1.182 886 HA GLU 108 HA GLU 108 114.057 2.320 -0.974 887 HB2 GLU 108 HB2 GLU 108 116.258 0.812 -1.203 888 HB3 GLU 108 HB1 GLU 108 115.536 1.163 0.365 889 HG2 GLU 108 HG2 GLU 108 114.723 -1.252 -1.241 890 HG3 GLU 108 HG1 GLU 108 116.093 -1.299 -0.138 891 H ILE 109 HN ILE 109 114.387 3.272 -2.887 892 HA ILE 109 HA ILE 109 114.378 1.581 -5.326 893 HB ILE 109 HB ILE 109 113.948 4.553 -5.019 894 HG12 ILE 109 HG12 ILE 109 111.911 2.354 -5.510 895 HG13 ILE 109 HG11 ILE 109 112.179 3.131 -3.957 896 HG21 ILE 109 HG21 ILE 109 112.903 4.042 -7.408 897 HG22 ILE 109 HG22 ILE 109 113.978 2.650 -7.355 898 HG23 ILE 109 HG23 ILE 109 114.638 4.271 -7.235 899 HD11 ILE 109 HD11 ILE 109 111.451 5.250 -4.776 900 HD12 ILE 109 HD12 ILE 109 110.266 4.080 -5.355 901 HD13 ILE 109 HD13 ILE 109 111.499 4.700 -6.451 902 H GLN 110 HN GLN 110 116.336 1.146 -6.119 903 HA GLN 110 HA GLN 110 118.585 2.943 -5.504 904 HB2 GLN 110 HB2 GLN 110 119.978 1.106 -6.513 905 HB3 GLN 110 HB1 GLN 110 119.074 0.664 -5.071 906 HG2 GLN 110 HG2 GLN 110 117.332 -0.372 -6.453 907 HG3 GLN 110 HG1 GLN 110 118.202 0.091 -7.917 908 HE21 GLN 110 HE21 GLN 110 117.599 -2.676 -6.661 909 HE22 GLN 110 HE22 GLN 110 119.120 -3.428 -6.608 910 H GLN 111 HN GLN 111 119.581 1.414 -8.220 911 HA GLN 111 HA GLN 111 118.459 3.338 -10.124 912 HB2 GLN 111 HB2 GLN 111 120.259 4.616 -9.196 913 HB3 GLN 111 HB1 GLN 111 121.368 3.253 -9.307 914 HG2 GLN 111 HG2 GLN 111 120.073 4.171 -11.855 915 HG3 GLN 111 HG1 GLN 111 121.313 5.210 -11.165 916 HE21 GLN 111 HE21 GLN 111 121.791 1.870 -10.414 917 HE22 GLN 111 HE22 GLN 111 122.993 1.567 -11.576 918 H LEU 112 HN LEU 112 118.796 2.825 -12.310 919 HA LEU 112 HA LEU 112 118.648 0.259 -13.168 920 HB2 LEU 112 HB2 LEU 112 118.332 2.165 -14.656 921 HB3 LEU 112 HB1 LEU 112 120.047 2.547 -14.566 922 HG LEU 112 HG LEU 112 120.612 0.426 -15.659 923 HD11 LEU 112 HD11 LEU 112 118.533 -0.836 -16.660 924 HD12 LEU 112 HD12 LEU 112 117.651 -0.067 -15.340 925 HD13 LEU 112 HD13 LEU 112 119.003 -1.145 -14.991 926 HD21 LEU 112 HD21 LEU 112 119.388 0.857 -17.857 927 HD22 LEU 112 HD22 LEU 112 120.233 2.243 -17.167 928 HD23 LEU 112 HD23 LEU 112 118.483 2.108 -17.003 929 H GLU 113 HN GLU 113 119.909 -1.381 -12.551 930 HA GLU 113 HA GLU 113 122.750 -1.058 -12.107 931 HB2 GLU 113 HB2 GLU 113 120.913 -3.456 -12.000 932 HB3 GLU 113 HB1 GLU 113 122.638 -3.526 -11.633 933 HG2 GLU 113 HG2 GLU 113 122.354 -1.894 -9.835 934 HG3 GLU 113 HG1 GLU 113 120.644 -1.723 -10.230 935 H HIS 114 HN HIS 114 124.360 -2.405 -13.139 936 HA HIS 114 HA HIS 114 124.085 -2.409 -16.002 937 HB2 HIS 114 HB2 HIS 114 126.279 -3.356 -14.145 938 HB3 HIS 114 HB1 HIS 114 126.394 -3.444 -15.903 939 HD1 HIS 114 HD1 HIS 114 126.453 -1.161 -17.214 940 HD2 HIS 114 HD2 HIS 114 126.602 -0.765 -13.066 941 HE1 HIS 114 HE1 HIS 114 127.175 1.221 -16.747 942 H HIS 115 HN HIS 115 123.803 -4.141 -17.359 943 HA HIS 115 HA HIS 115 122.339 -6.342 -16.570 944 HB2 HIS 115 HB2 HIS 115 124.265 -6.117 -18.899 945 HB3 HIS 115 HB1 HIS 115 123.047 -7.382 -18.715 946 HD1 HIS 115 HD1 HIS 115 123.495 -3.896 -19.817 947 HD2 HIS 115 HD2 HIS 115 120.296 -6.344 -18.750 948 HE1 HIS 115 HE1 HIS 115 121.398 -2.726 -20.621 949 H HIS 116 HN HIS 116 123.252 -7.186 -14.636 950 HA HIS 116 HA HIS 116 125.902 -8.167 -14.446 951 HB2 HIS 116 HB2 HIS 116 124.492 -7.700 -12.471 952 HB3 HIS 116 HB1 HIS 116 123.435 -9.039 -12.919 953 HD1 HIS 116 HD1 HIS 116 127.115 -8.441 -12.110 954 HD2 HIS 116 HD2 HIS 116 124.262 -11.470 -11.894 955 HE1 HIS 116 HE1 HIS 116 128.234 -10.393 -10.944 956 H HIS 117 HN HIS 117 122.815 -9.703 -15.286 957 HA HIS 117 HA HIS 117 124.079 -12.277 -15.770 958 HB2 HIS 117 HB2 HIS 117 121.762 -12.087 -14.849 959 HB3 HIS 117 HB1 HIS 117 121.250 -11.392 -16.387 960 HD1 HIS 117 HD1 HIS 117 120.255 -13.103 -17.884 961 HD2 HIS 117 HD2 HIS 117 123.253 -14.735 -15.496 962 HE1 HIS 117 HE1 HIS 117 120.421 -15.550 -18.515 963 H HIS 118 HN HIS 118 124.877 -12.938 -17.654 964 HA HIS 118 HA HIS 118 124.174 -11.447 -20.127 965 HB2 HIS 118 HB2 HIS 118 126.488 -10.973 -19.245 966 HB3 HIS 118 HB1 HIS 118 126.866 -12.677 -19.497 967 HD1 HIS 118 HD1 HIS 118 126.468 -13.541 -22.064 968 HD2 HIS 118 HD2 HIS 118 126.782 -9.418 -21.523 969 HE1 HIS 118 HE1 HIS 118 126.980 -12.559 -24.338 970 H HIS 119 HN HIS 119 123.399 -12.673 -21.726 971 HA HIS 119 HA HIS 119 124.284 -15.368 -22.193 972 HB2 HIS 119 HB2 HIS 119 122.748 -15.776 -20.319 973 HB3 HIS 119 HB1 HIS 119 121.459 -14.943 -21.190 974 HD1 HIS 119 HD1 HIS 119 123.802 -17.911 -21.717 975 HD2 HIS 119 HD2 HIS 119 119.987 -16.633 -22.804 976 HE1 HIS 119 HE1 HIS 119 122.746 -19.822 -23.000 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 56.840 1.192 21.536 2 H2 ARG 1 HT2 ARG 1 57.757 1.410 20.125 3 H3 ARG 1 HT3 ARG 1 57.897 2.514 21.407 4 HA ARG 1 HA ARG 1 59.541 0.421 20.968 5 HB2 ARG 1 HB2 ARG 1 59.676 2.542 22.481 6 HB3 ARG 1 HB1 ARG 1 59.003 1.503 23.735 7 HG2 ARG 1 HG2 ARG 1 61.283 1.186 24.098 8 HG3 ARG 1 HG1 ARG 1 60.944 -0.144 22.994 9 HD2 ARG 1 HD2 ARG 1 62.940 0.982 22.222 10 HD3 ARG 1 HD1 ARG 1 61.646 1.348 21.089 11 HE ARG 1 HE ARG 1 61.835 3.338 23.140 12 HH11 ARG 1 HH11 ARG 1 61.639 3.310 19.944 13 HH12 ARG 1 HH12 ARG 1 62.976 4.351 19.587 14 HH21 ARG 1 HH21 ARG 1 64.282 4.211 22.797 15 HH22 ARG 1 HH22 ARG 1 64.477 4.858 21.202 16 H MET 2 HN MET 2 56.825 -0.600 20.953 17 HA MET 2 HA MET 2 56.542 -2.293 23.296 18 HB2 MET 2 HB2 MET 2 54.685 -3.313 21.769 19 HB3 MET 2 HB1 MET 2 54.462 -1.682 22.402 20 HG2 MET 2 HG2 MET 2 55.052 -0.673 20.339 21 HG3 MET 2 HG1 MET 2 55.773 -2.161 19.722 22 HE1 MET 2 HE1 MET 2 51.364 -1.094 20.231 23 HE2 MET 2 HE2 MET 2 52.782 -0.314 20.921 24 HE3 MET 2 HE3 MET 2 52.180 -1.812 21.625 25 H ALA 3 HN ALA 3 58.554 -2.323 20.706 26 HA ALA 3 HA ALA 3 58.463 -4.872 19.610 27 HB1 ALA 3 HB1 ALA 3 60.841 -4.578 19.109 28 HB2 ALA 3 HB2 ALA 3 60.942 -3.265 20.282 29 HB3 ALA 3 HB3 ALA 3 59.968 -3.073 18.825 30 H HIS 4 HN HIS 4 59.480 -6.835 20.124 31 HA HIS 4 HA HIS 4 59.374 -7.590 22.824 32 HB2 HIS 4 HB2 HIS 4 60.727 -8.918 20.470 33 HB3 HIS 4 HB1 HIS 4 60.540 -9.669 22.055 34 HD1 HIS 4 HD1 HIS 4 58.672 -8.791 18.964 35 HD2 HIS 4 HD2 HIS 4 57.797 -10.258 22.767 36 HE1 HIS 4 HE1 HIS 4 56.305 -9.684 18.860 37 H GLU 5 HN GLU 5 60.834 -7.703 24.412 38 HA GLU 5 HA GLU 5 63.308 -6.238 24.103 39 HB2 GLU 5 HB2 GLU 5 62.111 -7.694 26.476 40 HB3 GLU 5 HB1 GLU 5 63.569 -6.708 26.534 41 HG2 GLU 5 HG2 GLU 5 61.920 -5.185 27.206 42 HG3 GLU 5 HG1 GLU 5 62.058 -4.840 25.485 43 H GLY 6 HN GLY 6 63.233 -8.551 22.486 44 HA2 GLY 6 HA2 GLY 6 64.518 -10.795 23.647 45 HA3 GLY 6 HA1 GLY 6 64.489 -10.401 21.929 46 H ALA 7 HN ALA 7 65.721 -7.857 22.099 47 HA ALA 7 HA ALA 7 68.517 -8.668 22.530 48 HB1 ALA 7 HB1 ALA 7 67.333 -6.236 21.162 49 HB2 ALA 7 HB2 ALA 7 67.907 -7.692 20.351 50 HB3 ALA 7 HB3 ALA 7 69.046 -6.654 21.211 51 H LEU 8 HN LEU 8 69.681 -7.924 24.213 52 HA LEU 8 HA LEU 8 68.439 -6.289 26.218 53 HB2 LEU 8 HB2 LEU 8 71.262 -7.331 25.916 54 HB3 LEU 8 HB1 LEU 8 70.697 -6.432 27.322 55 HG LEU 8 HG LEU 8 69.420 -8.993 26.314 56 HD11 LEU 8 HD11 LEU 8 71.453 -8.516 28.512 57 HD12 LEU 8 HD12 LEU 8 71.664 -9.501 27.064 58 HD13 LEU 8 HD13 LEU 8 70.541 -10.015 28.322 59 HD21 LEU 8 HD21 LEU 8 67.764 -8.004 27.618 60 HD22 LEU 8 HD22 LEU 8 68.918 -7.136 28.630 61 HD23 LEU 8 HD23 LEU 8 68.654 -8.860 28.871 62 H THR 9 HN THR 9 68.691 -4.174 26.661 63 HA THR 9 HA THR 9 69.887 -2.489 24.620 64 HB THR 9 HB THR 9 68.987 -0.640 26.101 65 HG1 THR 9 HG1 THR 9 68.229 -2.940 27.530 66 HG21 THR 9 HG21 THR 9 67.026 -2.781 25.236 67 HG22 THR 9 HG22 THR 9 67.747 -1.577 24.166 68 HG23 THR 9 HG23 THR 9 66.666 -1.069 25.465 69 H GLY 10 HN GLY 10 71.294 -0.669 25.202 70 HA2 GLY 10 HA2 GLY 10 72.677 -0.122 27.448 71 HA3 GLY 10 HA1 GLY 10 73.497 -1.568 26.869 72 H VAL 11 HN VAL 11 73.629 -1.333 24.242 73 HA VAL 11 HA VAL 11 75.654 0.614 23.805 74 HB VAL 11 HB VAL 11 75.558 -1.585 22.664 75 HG11 VAL 11 HG11 VAL 11 73.002 -1.407 22.360 76 HG12 VAL 11 HG12 VAL 11 73.920 -2.082 21.014 77 HG13 VAL 11 HG13 VAL 11 73.361 -0.411 20.950 78 HG21 VAL 11 HG21 VAL 11 76.784 0.398 21.697 79 HG22 VAL 11 HG22 VAL 11 75.364 0.721 20.703 80 HG23 VAL 11 HG23 VAL 11 76.265 -0.779 20.490 81 H THR 12 HN THR 12 75.632 2.499 22.596 82 HA THR 12 HA THR 12 73.128 3.924 22.501 83 HB THR 12 HB THR 12 75.709 4.827 21.221 84 HG1 THR 12 HG1 THR 12 75.148 4.297 23.847 85 HG21 THR 12 HG21 THR 12 74.867 7.001 21.564 86 HG22 THR 12 HG22 THR 12 73.708 6.458 22.778 87 HG23 THR 12 HG23 THR 12 73.441 6.087 21.075 88 H THR 13 HN THR 13 72.877 1.665 20.988 89 HA THR 13 HA THR 13 72.375 0.846 18.906 90 HB THR 13 HB THR 13 71.645 3.755 18.484 91 HG1 THR 13 HG1 THR 13 70.245 3.164 19.938 92 HG21 THR 13 HG21 THR 13 70.035 2.672 16.808 93 HG22 THR 13 HG22 THR 13 71.045 1.233 16.929 94 HG23 THR 13 HG23 THR 13 71.731 2.742 16.329 95 H ASP 14 HN ASP 14 73.163 3.969 17.537 96 HA ASP 14 HA ASP 14 74.454 4.281 15.597 97 HB2 ASP 14 HB2 ASP 14 76.844 4.557 16.334 98 HB3 ASP 14 HB1 ASP 14 75.658 5.417 17.309 99 H GLN 15 HN GLN 15 77.311 2.818 16.318 100 HA GLN 15 HA GLN 15 76.955 0.869 14.201 101 HB2 GLN 15 HB2 GLN 15 79.317 1.687 15.898 102 HB3 GLN 15 HB1 GLN 15 79.402 0.407 14.686 103 HG2 GLN 15 HG2 GLN 15 78.761 1.938 12.932 104 HG3 GLN 15 HG1 GLN 15 78.442 3.216 14.102 105 HE21 GLN 15 HE21 GLN 15 80.827 1.945 12.030 106 HE22 GLN 15 HE22 GLN 15 82.165 2.760 12.679 107 H LYS 16 HN LYS 16 76.014 -0.994 14.626 108 HA LYS 16 HA LYS 16 76.751 -2.453 17.097 109 HB2 LYS 16 HB2 LYS 16 74.333 -1.392 16.845 110 HB3 LYS 16 HB1 LYS 16 74.044 -2.799 15.827 111 HG2 LYS 16 HG2 LYS 16 74.614 -4.305 17.638 112 HG3 LYS 16 HG1 LYS 16 75.143 -2.966 18.653 113 HD2 LYS 16 HD2 LYS 16 72.935 -3.559 19.385 114 HD3 LYS 16 HD1 LYS 16 72.798 -2.037 18.511 115 HE2 LYS 16 HE2 LYS 16 71.731 -3.027 16.685 116 HE3 LYS 16 HE1 LYS 16 72.407 -4.623 17.013 117 HZ1 LYS 16 HZ1 LYS 16 70.779 -3.589 19.148 118 HZ2 LYS 16 HZ2 LYS 16 70.753 -5.117 18.404 119 HZ3 LYS 16 HZ3 LYS 16 69.923 -3.811 17.702 120 H GLU 17 HN GLU 17 77.414 -2.420 14.021 121 HA GLU 17 HA GLU 17 76.845 -5.251 13.422 122 HB2 GLU 17 HB2 GLU 17 77.955 -3.010 11.718 123 HB3 GLU 17 HB1 GLU 17 77.760 -4.674 11.165 124 HG2 GLU 17 HG2 GLU 17 75.331 -4.534 11.727 125 HG3 GLU 17 HG1 GLU 17 75.559 -2.841 12.157 126 H LYS 18 HN LYS 18 78.333 -6.771 13.768 127 HA LYS 18 HA LYS 18 81.081 -5.965 14.434 128 HB2 LYS 18 HB2 LYS 18 79.385 -8.391 14.968 129 HB3 LYS 18 HB1 LYS 18 81.140 -8.517 15.077 130 HG2 LYS 18 HG2 LYS 18 79.735 -6.259 16.499 131 HG3 LYS 18 HG1 LYS 18 79.728 -7.870 17.216 132 HD2 LYS 18 HD2 LYS 18 82.157 -7.944 17.210 133 HD3 LYS 18 HD1 LYS 18 82.244 -6.401 16.363 134 HE2 LYS 18 HE2 LYS 18 81.154 -5.280 18.251 135 HE3 LYS 18 HE1 LYS 18 81.014 -6.818 19.101 136 HZ1 LYS 18 HZ1 LYS 18 82.928 -5.631 19.890 137 HZ2 LYS 18 HZ2 LYS 18 83.531 -5.455 18.311 138 HZ3 LYS 18 HZ3 LYS 18 83.449 -6.996 19.023 139 H GLN 19 HN GLN 19 82.749 -6.356 13.178 140 HA GLN 19 HA GLN 19 82.620 -8.407 11.084 141 HB2 GLN 19 HB2 GLN 19 81.833 -6.281 10.051 142 HB3 GLN 19 HB1 GLN 19 83.344 -5.523 10.538 143 HG2 GLN 19 HG2 GLN 19 84.628 -6.994 9.129 144 HG3 GLN 19 HG1 GLN 19 83.210 -7.983 8.784 145 HE21 GLN 19 HE21 GLN 19 84.790 -6.615 6.730 146 HE22 GLN 19 HE22 GLN 19 83.768 -5.474 5.998 147 H LYS 20 HN LYS 20 84.777 -9.004 10.340 148 HA LYS 20 HA LYS 20 86.790 -8.680 12.418 149 HB2 LYS 20 HB2 LYS 20 86.479 -10.877 11.481 150 HB3 LYS 20 HB1 LYS 20 86.725 -10.260 9.849 151 HG2 LYS 20 HG2 LYS 20 89.036 -9.813 10.260 152 HG3 LYS 20 HG1 LYS 20 88.839 -10.017 12.001 153 HD2 LYS 20 HD2 LYS 20 89.908 -12.003 11.001 154 HD3 LYS 20 HD1 LYS 20 88.327 -12.409 11.667 155 HE2 LYS 20 HE2 LYS 20 88.853 -13.336 9.336 156 HE3 LYS 20 HE1 LYS 20 87.322 -12.482 9.507 157 HZ1 LYS 20 HZ1 LYS 20 88.058 -10.723 8.298 158 HZ2 LYS 20 HZ2 LYS 20 89.014 -11.932 7.582 159 HZ3 LYS 20 HZ3 LYS 20 89.676 -10.914 8.771 160 HA PRO 21 HA PRO 21 88.426 -5.292 9.766 161 HB2 PRO 21 HB2 PRO 21 90.318 -4.544 11.848 162 HB3 PRO 21 HB1 PRO 21 88.876 -3.670 11.311 163 HG2 PRO 21 HG2 PRO 21 89.177 -4.922 13.772 164 HG3 PRO 21 HG1 PRO 21 87.638 -4.437 13.045 165 HD2 PRO 21 HD2 PRO 21 88.856 -7.155 13.237 166 HD3 PRO 21 HD1 PRO 21 87.154 -6.671 13.165 167 H ASP 22 HN ASP 22 90.342 -4.963 8.605 168 HA ASP 22 HA ASP 22 92.777 -6.318 9.211 169 HB2 ASP 22 HB2 ASP 22 91.326 -8.217 8.442 170 HB3 ASP 22 HB1 ASP 22 91.212 -7.420 6.873 171 H ILE 23 HN ILE 23 94.317 -6.173 7.327 172 HA ILE 23 HA ILE 23 93.687 -4.108 5.355 173 HB ILE 23 HB ILE 23 95.761 -2.831 5.920 174 HG12 ILE 23 HG12 ILE 23 95.707 -4.116 8.651 175 HG13 ILE 23 HG11 ILE 23 96.618 -4.885 7.366 176 HG21 ILE 23 HG21 ILE 23 94.669 -1.449 7.453 177 HG22 ILE 23 HG22 ILE 23 94.025 -2.804 8.378 178 HG23 ILE 23 HG23 ILE 23 93.311 -2.380 6.832 179 HD11 ILE 23 HD11 ILE 23 97.872 -3.189 8.851 180 HD12 ILE 23 HD12 ILE 23 96.969 -1.954 7.975 181 HD13 ILE 23 HD13 ILE 23 98.063 -3.030 7.104 182 H VAL 24 HN VAL 24 94.769 -4.344 3.470 183 HA VAL 24 HA VAL 24 96.653 -6.616 3.268 184 HB VAL 24 HB VAL 24 95.088 -5.131 1.133 185 HG11 VAL 24 HG11 VAL 24 97.214 -6.007 0.254 186 HG12 VAL 24 HG12 VAL 24 95.870 -6.983 -0.334 187 HG13 VAL 24 HG13 VAL 24 96.881 -7.579 0.982 188 HG21 VAL 24 HG21 VAL 24 93.828 -7.268 1.003 189 HG22 VAL 24 HG22 VAL 24 93.690 -6.537 2.603 190 HG23 VAL 24 HG23 VAL 24 94.781 -7.901 2.345 191 H LEU 25 HN LEU 25 98.762 -6.246 2.902 192 HA LEU 25 HA LEU 25 99.643 -3.757 1.650 193 HB2 LEU 25 HB2 LEU 25 101.296 -3.445 3.609 194 HB3 LEU 25 HB1 LEU 25 99.632 -2.946 3.857 195 HG LEU 25 HG LEU 25 100.621 -4.224 5.785 196 HD11 LEU 25 HD11 LEU 25 98.419 -5.991 4.809 197 HD12 LEU 25 HD12 LEU 25 98.072 -4.269 4.970 198 HD13 LEU 25 HD13 LEU 25 98.633 -5.189 6.354 199 HD21 LEU 25 HD21 LEU 25 100.417 -6.675 4.028 200 HD22 LEU 25 HD22 LEU 25 101.132 -6.537 5.632 201 HD23 LEU 25 HD23 LEU 25 101.929 -5.793 4.250 202 H TYR 26 HN TYR 26 102.347 -3.937 2.267 203 HA TYR 26 HA TYR 26 103.112 -6.508 0.990 204 HB2 TYR 26 HB2 TYR 26 104.087 -3.684 0.683 205 HB3 TYR 26 HB1 TYR 26 105.229 -5.003 0.416 206 HD1 TYR 26 HD1 TYR 26 105.416 -5.716 -1.807 207 HD2 TYR 26 HD2 TYR 26 101.625 -4.261 -0.394 208 HE1 TYR 26 HE1 TYR 26 104.425 -6.126 -4.040 209 HE2 TYR 26 HE2 TYR 26 100.637 -4.672 -2.630 210 HH TYR 26 HH TYR 26 102.446 -5.199 -5.372 211 HA PRO 27 HA PRO 27 105.039 -6.659 5.163 212 HB2 PRO 27 HB2 PRO 27 105.178 -9.544 4.946 213 HB3 PRO 27 HB1 PRO 27 104.144 -8.579 6.008 214 HG2 PRO 27 HG2 PRO 27 103.323 -10.096 3.779 215 HG3 PRO 27 HG1 PRO 27 102.344 -8.944 4.697 216 HD2 PRO 27 HD2 PRO 27 103.552 -8.630 2.024 217 HD3 PRO 27 HD1 PRO 27 102.264 -7.687 2.796 218 H GLU 28 HN GLU 28 105.950 -7.845 2.069 219 HA GLU 28 HA GLU 28 108.687 -8.494 2.893 220 HB2 GLU 28 HB2 GLU 28 108.804 -9.048 0.336 221 HB3 GLU 28 HB1 GLU 28 107.922 -10.122 1.421 222 HG2 GLU 28 HG2 GLU 28 105.818 -9.249 0.765 223 HG3 GLU 28 HG1 GLU 28 106.547 -7.833 0.012 224 HA PRO 29 HA PRO 29 109.877 -4.311 1.612 225 HB2 PRO 29 HB2 PRO 29 112.672 -5.076 1.376 226 HB3 PRO 29 HB1 PRO 29 111.911 -4.094 2.634 227 HG2 PRO 29 HG2 PRO 29 112.877 -6.759 2.858 228 HG3 PRO 29 HG1 PRO 29 112.033 -5.810 4.087 229 HD2 PRO 29 HD2 PRO 29 111.021 -8.059 2.552 230 HD3 PRO 29 HD1 PRO 29 110.227 -7.171 3.866 231 H VAL 30 HN VAL 30 110.290 -3.331 -0.410 232 HA VAL 30 HA VAL 30 111.093 -5.142 -2.633 233 HB VAL 30 HB VAL 30 108.838 -3.123 -2.604 234 HG11 VAL 30 HG11 VAL 30 110.326 -4.398 -4.909 235 HG12 VAL 30 HG12 VAL 30 109.938 -2.694 -4.670 236 HG13 VAL 30 HG13 VAL 30 108.662 -3.840 -5.081 237 HG21 VAL 30 HG21 VAL 30 108.434 -5.513 -1.857 238 HG22 VAL 30 HG22 VAL 30 108.902 -6.025 -3.478 239 HG23 VAL 30 HG23 VAL 30 107.479 -5.007 -3.253 240 H ARG 31 HN ARG 31 112.661 -4.414 -3.918 241 HA ARG 31 HA ARG 31 113.436 -1.563 -3.802 242 HB2 ARG 31 HB2 ARG 31 115.099 -2.826 -2.602 243 HB3 ARG 31 HB1 ARG 31 115.165 -4.049 -3.868 244 HG2 ARG 31 HG2 ARG 31 116.144 -2.454 -5.429 245 HG3 ARG 31 HG1 ARG 31 115.951 -1.145 -4.274 246 HD2 ARG 31 HD2 ARG 31 118.245 -1.887 -4.184 247 HD3 ARG 31 HD1 ARG 31 117.446 -2.399 -2.701 248 HE ARG 31 HE ARG 31 117.267 -4.457 -4.646 249 HH11 ARG 31 HH11 ARG 31 120.158 -3.691 -4.941 250 HH12 ARG 31 HH12 ARG 31 120.926 -4.673 -3.740 251 HH21 ARG 31 HH21 ARG 31 117.978 -5.375 -2.052 252 HH22 ARG 31 HH22 ARG 31 119.692 -5.620 -2.098 253 H VAL 32 HN VAL 32 113.449 -0.566 -5.735 254 HA VAL 32 HA VAL 32 113.635 -2.207 -8.202 255 HB VAL 32 HB VAL 32 111.318 -1.127 -7.490 256 HG11 VAL 32 HG11 VAL 32 110.941 1.102 -8.406 257 HG12 VAL 32 HG12 VAL 32 112.628 1.233 -8.883 258 HG13 VAL 32 HG13 VAL 32 112.193 1.155 -7.176 259 HG21 VAL 32 HG21 VAL 32 112.573 -1.222 -10.222 260 HG22 VAL 32 HG22 VAL 32 110.926 -0.636 -10.033 261 HG23 VAL 32 HG23 VAL 32 111.345 -2.270 -9.527 262 H LEU 33 HN LEU 33 114.140 -0.475 -10.127 263 HA LEU 33 HA LEU 33 116.356 1.253 -9.177 264 HB2 LEU 33 HB2 LEU 33 116.262 -0.273 -11.790 265 HB3 LEU 33 HB1 LEU 33 117.620 0.630 -11.128 266 HG LEU 33 HG LEU 33 116.391 -1.827 -9.847 267 HD11 LEU 33 HD11 LEU 33 117.605 -2.199 -12.035 268 HD12 LEU 33 HD12 LEU 33 118.315 -3.035 -10.655 269 HD13 LEU 33 HD13 LEU 33 119.056 -1.555 -11.264 270 HD21 LEU 33 HD21 LEU 33 118.694 -1.673 -8.610 271 HD22 LEU 33 HD22 LEU 33 117.385 -0.613 -8.100 272 HD23 LEU 33 HD23 LEU 33 118.674 0.015 -9.126 273 H GLU 34 HN GLU 34 116.391 3.316 -9.966 274 HA GLU 34 HA GLU 34 114.314 4.668 -11.081 275 HB2 GLU 34 HB2 GLU 34 116.442 5.717 -10.340 276 HB3 GLU 34 HB1 GLU 34 117.220 5.102 -11.791 277 HG2 GLU 34 HG2 GLU 34 116.637 7.411 -12.180 278 HG3 GLU 34 HG1 GLU 34 115.584 6.411 -13.172 279 H GLY 35 HN GLY 35 113.195 4.583 -12.931 280 HA2 GLY 35 HA2 GLY 35 113.101 4.628 -15.340 281 HA3 GLY 35 HA1 GLY 35 114.550 3.628 -15.396 282 H GLU 36 HN GLU 36 112.631 2.451 -12.954 283 HA GLU 36 HA GLU 36 111.250 0.511 -14.737 284 HB2 GLU 36 HB2 GLU 36 112.811 0.073 -12.194 285 HB3 GLU 36 HB1 GLU 36 111.519 -1.036 -12.635 286 HG2 GLU 36 HG2 GLU 36 113.764 -1.758 -13.460 287 HG3 GLU 36 HG1 GLU 36 112.587 -1.532 -14.753 288 H THR 37 HN THR 37 109.118 0.409 -14.493 289 HA THR 37 HA THR 37 107.822 2.011 -12.444 290 HB THR 37 HB THR 37 105.845 1.698 -13.666 291 HG1 THR 37 HG1 THR 37 106.573 -0.759 -13.736 292 HG21 THR 37 HG21 THR 37 107.905 1.236 -15.825 293 HG22 THR 37 HG22 THR 37 107.772 2.772 -14.971 294 HG23 THR 37 HG23 THR 37 106.416 2.174 -15.928 295 H ALA 38 HN ALA 38 106.224 1.147 -10.986 296 HA ALA 38 HA ALA 38 106.428 -1.746 -10.436 297 HB1 ALA 38 HB1 ALA 38 106.416 0.116 -8.097 298 HB2 ALA 38 HB2 ALA 38 107.923 -0.076 -8.987 299 HB3 ALA 38 HB3 ALA 38 107.141 -1.481 -8.260 300 H ARG 39 HN ARG 39 104.793 -2.384 -8.739 301 HA ARG 39 HA ARG 39 102.324 -0.769 -8.831 302 HB2 ARG 39 HB2 ARG 39 102.578 -3.603 -9.849 303 HB3 ARG 39 HB1 ARG 39 101.036 -2.886 -9.392 304 HG2 ARG 39 HG2 ARG 39 101.367 -1.084 -11.043 305 HG3 ARG 39 HG1 ARG 39 102.927 -1.774 -11.491 306 HD2 ARG 39 HD2 ARG 39 101.856 -3.823 -12.257 307 HD3 ARG 39 HD1 ARG 39 100.288 -3.249 -11.700 308 HE ARG 39 HE ARG 39 100.270 -1.659 -13.492 309 HH11 ARG 39 HH11 ARG 39 102.112 -4.434 -14.034 310 HH12 ARG 39 HH12 ARG 39 102.906 -3.843 -15.456 311 HH21 ARG 39 HH21 ARG 39 101.689 -0.614 -15.118 312 HH22 ARG 39 HH22 ARG 39 102.661 -1.683 -16.073 313 H PHE 40 HN PHE 40 101.330 -0.733 -6.937 314 HA PHE 40 HA PHE 40 101.719 -2.960 -5.016 315 HB2 PHE 40 HB2 PHE 40 101.923 0.007 -4.457 316 HB3 PHE 40 HB1 PHE 40 101.740 -1.213 -3.201 317 HD1 PHE 40 HD1 PHE 40 103.541 -2.789 -2.693 318 HD2 PHE 40 HD2 PHE 40 103.990 0.218 -5.732 319 HE1 PHE 40 HE1 PHE 40 105.996 -3.155 -2.699 320 HE2 PHE 40 HE2 PHE 40 106.439 -0.153 -5.741 321 HZ PHE 40 HZ PHE 40 107.443 -1.837 -4.222 322 H ARG 41 HN ARG 41 99.942 -3.407 -3.727 323 HA ARG 41 HA ARG 41 97.462 -1.867 -4.274 324 HB2 ARG 41 HB2 ARG 41 97.322 -3.993 -5.430 325 HB3 ARG 41 HB1 ARG 41 97.836 -4.858 -3.984 326 HG2 ARG 41 HG2 ARG 41 95.800 -4.230 -2.814 327 HG3 ARG 41 HG1 ARG 41 95.307 -3.193 -4.149 328 HD2 ARG 41 HD2 ARG 41 94.107 -5.289 -4.336 329 HD3 ARG 41 HD1 ARG 41 95.300 -5.222 -5.630 330 HE ARG 41 HE ARG 41 96.410 -6.510 -3.352 331 HH11 ARG 41 HH11 ARG 41 94.527 -6.910 -6.210 332 HH12 ARG 41 HH12 ARG 41 94.507 -8.638 -6.129 333 HH21 ARG 41 HH21 ARG 41 96.230 -8.784 -3.125 334 HH22 ARG 41 HH22 ARG 41 95.481 -9.701 -4.390 335 H CYS 42 HN CYS 42 96.196 -1.362 -2.526 336 HA CYS 42 HA CYS 42 96.785 -2.605 0.071 337 HB2 CYS 42 HB2 CYS 42 98.340 -0.684 -0.108 338 HB3 CYS 42 HB1 CYS 42 96.958 0.381 -0.347 339 HG CYS 42 HG CYS 42 96.562 -1.202 2.184 340 H ARG 43 HN ARG 43 94.949 -2.997 1.118 341 HA ARG 43 HA ARG 43 92.555 -1.336 0.530 342 HB2 ARG 43 HB2 ARG 43 92.707 -4.320 1.051 343 HB3 ARG 43 HB1 ARG 43 91.215 -3.393 0.884 344 HG2 ARG 43 HG2 ARG 43 91.905 -2.712 -1.397 345 HG3 ARG 43 HG1 ARG 43 93.371 -3.677 -1.231 346 HD2 ARG 43 HD2 ARG 43 91.973 -5.699 -0.890 347 HD3 ARG 43 HD1 ARG 43 90.528 -4.723 -1.131 348 HE ARG 43 HE ARG 43 92.414 -5.583 -3.187 349 HH11 ARG 43 HH11 ARG 43 90.301 -3.010 -2.374 350 HH12 ARG 43 HH12 ARG 43 89.575 -2.906 -3.944 351 HH21 ARG 43 HH21 ARG 43 91.254 -5.668 -5.194 352 HH22 ARG 43 HH22 ARG 43 90.116 -4.410 -5.540 353 H VAL 44 HN VAL 44 90.868 -1.584 2.393 354 HA VAL 44 HA VAL 44 91.904 -2.239 4.990 355 HB VAL 44 HB VAL 44 91.366 0.657 4.243 356 HG11 VAL 44 HG11 VAL 44 91.834 1.086 6.679 357 HG12 VAL 44 HG12 VAL 44 91.740 -0.651 6.953 358 HG13 VAL 44 HG13 VAL 44 90.322 0.233 6.387 359 HG21 VAL 44 HG21 VAL 44 93.682 0.908 5.331 360 HG22 VAL 44 HG22 VAL 44 93.646 0.133 3.753 361 HG23 VAL 44 HG23 VAL 44 93.813 -0.844 5.202 362 H THR 45 HN THR 45 90.022 -3.568 5.248 363 HA THR 45 HA THR 45 87.447 -2.077 5.283 364 HB THR 45 HB THR 45 86.308 -3.949 4.305 365 HG1 THR 45 HG1 THR 45 88.830 -5.170 4.586 366 HG21 THR 45 HG21 THR 45 87.235 -3.915 2.080 367 HG22 THR 45 HG22 THR 45 88.827 -3.470 2.697 368 HG23 THR 45 HG23 THR 45 87.489 -2.323 2.791 369 H GLY 46 HN GLY 46 86.242 -2.309 7.011 370 HA2 GLY 46 HA2 GLY 46 86.138 -4.682 8.609 371 HA3 GLY 46 HA1 GLY 46 87.034 -3.389 9.405 372 H TYR 47 HN TYR 47 85.657 -1.169 8.564 373 HA TYR 47 HA TYR 47 82.850 -1.556 9.363 374 HB2 TYR 47 HB2 TYR 47 83.960 0.909 10.515 375 HB3 TYR 47 HB1 TYR 47 83.048 -0.373 11.310 376 HD1 TYR 47 HD1 TYR 47 84.169 -1.505 13.031 377 HD2 TYR 47 HD2 TYR 47 86.422 0.111 9.756 378 HE1 TYR 47 HE1 TYR 47 86.269 -2.293 14.090 379 HE2 TYR 47 HE2 TYR 47 88.526 -0.677 10.812 380 HH TYR 47 HH TYR 47 89.014 -1.288 13.696 381 HA PRO 48 HA PRO 48 81.917 1.338 6.233 382 HB2 PRO 48 HB2 PRO 48 80.620 3.440 7.777 383 HB3 PRO 48 HB1 PRO 48 79.877 2.214 6.740 384 HG2 PRO 48 HG2 PRO 48 79.791 2.312 9.555 385 HG3 PRO 48 HG1 PRO 48 79.275 0.971 8.524 386 HD2 PRO 48 HD2 PRO 48 81.663 1.164 10.220 387 HD3 PRO 48 HD1 PRO 48 80.967 -0.263 9.429 388 H GLN 49 HN GLN 49 83.071 2.735 5.127 389 HA GLN 49 HA GLN 49 84.992 4.000 4.725 390 HB2 GLN 49 HB2 GLN 49 84.421 6.421 5.236 391 HB3 GLN 49 HB1 GLN 49 83.252 5.530 4.264 392 HG2 GLN 49 HG2 GLN 49 81.748 5.292 6.071 393 HG3 GLN 49 HG1 GLN 49 82.977 5.699 7.265 394 HE21 GLN 49 HE21 GLN 49 82.670 7.550 4.267 395 HE22 GLN 49 HE22 GLN 49 82.072 8.960 4.994 396 HA PRO 50 HA PRO 50 86.839 4.001 8.953 397 HB2 PRO 50 HB2 PRO 50 89.001 2.362 7.879 398 HB3 PRO 50 HB1 PRO 50 87.807 1.921 9.110 399 HG2 PRO 50 HG2 PRO 50 87.919 0.850 6.554 400 HG3 PRO 50 HG1 PRO 50 86.500 0.824 7.606 401 HD2 PRO 50 HD2 PRO 50 87.069 2.595 5.274 402 HD3 PRO 50 HD1 PRO 50 85.513 1.986 5.882 403 H LYS 51 HN LYS 51 88.897 5.175 9.536 404 HA LYS 51 HA LYS 51 89.574 7.102 7.519 405 HB2 LYS 51 HB2 LYS 51 90.819 6.518 10.218 406 HB3 LYS 51 HB1 LYS 51 91.320 7.839 9.171 407 HG2 LYS 51 HG2 LYS 51 89.011 8.741 9.218 408 HG3 LYS 51 HG1 LYS 51 88.538 7.438 10.307 409 HD2 LYS 51 HD2 LYS 51 90.156 8.216 11.981 410 HD3 LYS 51 HD1 LYS 51 90.691 9.493 10.888 411 HE2 LYS 51 HE2 LYS 51 88.435 10.471 10.904 412 HE3 LYS 51 HE1 LYS 51 87.878 9.191 11.982 413 HZ1 LYS 51 HZ1 LYS 51 89.624 11.472 12.540 414 HZ2 LYS 51 HZ2 LYS 51 89.918 10.027 13.386 415 HZ3 LYS 51 HZ3 LYS 51 88.403 10.787 13.496 416 H VAL 52 HN VAL 52 91.150 7.021 6.046 417 HA VAL 52 HA VAL 52 93.227 4.914 6.277 418 HB VAL 52 HB VAL 52 91.689 5.710 3.793 419 HG11 VAL 52 HG11 VAL 52 93.979 5.219 3.194 420 HG12 VAL 52 HG12 VAL 52 93.007 3.806 2.792 421 HG13 VAL 52 HG13 VAL 52 94.001 3.805 4.249 422 HG21 VAL 52 HG21 VAL 52 90.554 4.205 5.509 423 HG22 VAL 52 HG22 VAL 52 91.834 3.033 5.198 424 HG23 VAL 52 HG23 VAL 52 90.741 3.508 3.899 425 H ASN 53 HN ASN 53 95.238 5.521 5.875 426 HA ASN 53 HA ASN 53 95.796 7.982 4.377 427 HB2 ASN 53 HB2 ASN 53 95.604 8.640 6.777 428 HB3 ASN 53 HB1 ASN 53 96.888 7.493 7.158 429 HD21 ASN 53 HD21 ASN 53 98.987 7.859 5.763 430 HD22 ASN 53 HD22 ASN 53 99.424 9.476 5.494 431 H TRP 54 HN TRP 54 97.556 7.727 3.094 432 HA TRP 54 HA TRP 54 99.178 5.271 3.510 433 HB2 TRP 54 HB2 TRP 54 99.555 6.786 0.980 434 HB3 TRP 54 HB1 TRP 54 99.326 5.060 1.233 435 HD1 TRP 54 HD1 TRP 54 96.664 4.406 1.935 436 HE1 TRP 54 HE1 TRP 54 94.529 5.278 0.789 437 HE3 TRP 54 HE3 TRP 54 98.473 8.662 -0.243 438 HZ2 TRP 54 HZ2 TRP 54 93.684 7.477 -0.803 439 HZ3 TRP 54 HZ3 TRP 54 96.959 10.119 -1.563 440 HH2 TRP 54 HH2 TRP 54 94.580 9.539 -1.846 441 H TYR 55 HN TYR 55 101.388 5.391 3.731 442 HA TYR 55 HA TYR 55 102.569 8.120 3.830 443 HB2 TYR 55 HB2 TYR 55 103.192 5.694 5.519 444 HB3 TYR 55 HB1 TYR 55 104.168 7.157 5.489 445 HD1 TYR 55 HD1 TYR 55 103.628 8.971 6.885 446 HD2 TYR 55 HD2 TYR 55 100.671 5.960 6.090 447 HE1 TYR 55 HE1 TYR 55 102.141 9.982 8.591 448 HE2 TYR 55 HE2 TYR 55 99.180 6.977 7.793 449 HH TYR 55 HH TYR 55 100.237 9.793 9.708 450 H LEU 56 HN LEU 56 103.458 8.148 1.793 451 HA LEU 56 HA LEU 56 105.063 5.870 0.891 452 HB2 LEU 56 HB2 LEU 56 104.197 8.470 -0.381 453 HB3 LEU 56 HB1 LEU 56 105.369 7.394 -1.139 454 HG LEU 56 HG LEU 56 103.654 5.527 -0.896 455 HD11 LEU 56 HD11 LEU 56 101.972 7.892 -0.047 456 HD12 LEU 56 HD12 LEU 56 102.135 6.325 0.743 457 HD13 LEU 56 HD13 LEU 56 101.239 6.461 -0.769 458 HD21 LEU 56 HD21 LEU 56 102.511 6.130 -2.902 459 HD22 LEU 56 HD22 LEU 56 104.094 6.897 -3.001 460 HD23 LEU 56 HD23 LEU 56 102.676 7.851 -2.565 461 H ASN 57 HN ASN 57 107.320 5.859 0.856 462 HA ASN 57 HA ASN 57 109.399 6.474 1.502 463 HB2 ASN 57 HB2 ASN 57 108.329 9.033 0.315 464 HB3 ASN 57 HB1 ASN 57 110.017 8.825 0.784 465 HD21 ASN 57 HD21 ASN 57 109.086 9.223 -1.973 466 HD22 ASN 57 HD22 ASN 57 109.499 7.821 -2.835 467 H GLY 58 HN GLY 58 106.865 7.292 3.288 468 HA2 GLY 58 HA2 GLY 58 107.056 7.678 5.646 469 HA3 GLY 58 HA1 GLY 58 108.525 8.603 5.354 470 H GLN 59 HN GLN 59 106.146 9.342 3.083 471 HA GLN 59 HA GLN 59 105.363 11.808 4.548 472 HB2 GLN 59 HB2 GLN 59 105.727 11.290 1.584 473 HB3 GLN 59 HB1 GLN 59 105.052 12.776 2.256 474 HG2 GLN 59 HG2 GLN 59 107.113 13.188 3.499 475 HG3 GLN 59 HG1 GLN 59 107.792 11.665 2.923 476 HE21 GLN 59 HE21 GLN 59 109.463 13.493 2.161 477 HE22 GLN 59 HE22 GLN 59 109.211 14.069 0.584 478 H LEU 60 HN LEU 60 103.210 12.104 4.932 479 HA LEU 60 HA LEU 60 101.351 10.075 4.082 480 HB2 LEU 60 HB2 LEU 60 99.689 11.461 5.375 481 HB3 LEU 60 HB1 LEU 60 101.037 10.826 6.303 482 HG LEU 60 HG LEU 60 101.455 13.532 5.093 483 HD11 LEU 60 HD11 LEU 60 99.218 13.909 5.837 484 HD12 LEU 60 HD12 LEU 60 100.263 14.559 7.101 485 HD13 LEU 60 HD13 LEU 60 99.481 12.995 7.322 486 HD21 LEU 60 HD21 LEU 60 102.772 13.892 7.024 487 HD22 LEU 60 HD22 LEU 60 103.017 12.179 6.683 488 HD23 LEU 60 HD23 LEU 60 101.905 12.670 7.959 489 H ILE 61 HN ILE 61 99.428 10.379 2.909 490 HA ILE 61 HA ILE 61 98.095 11.180 1.307 491 HB ILE 61 HB ILE 61 98.494 13.391 2.835 492 HG12 ILE 61 HG12 ILE 61 96.332 12.671 2.033 493 HG13 ILE 61 HG11 ILE 61 96.556 14.349 1.554 494 HG21 ILE 61 HG21 ILE 61 100.188 14.319 1.261 495 HG22 ILE 61 HG22 ILE 61 98.755 15.321 1.380 496 HG23 ILE 61 HG23 ILE 61 98.979 14.274 -0.014 497 HD11 ILE 61 HD11 ILE 61 97.576 13.149 -0.655 498 HD12 ILE 61 HD12 ILE 61 95.862 13.520 -0.485 499 HD13 ILE 61 HD13 ILE 61 96.441 11.891 -0.149 500 H ARG 62 HN ARG 62 98.308 10.574 -0.593 501 HA ARG 62 HA ARG 62 100.679 11.313 -2.214 502 HB2 ARG 62 HB2 ARG 62 100.217 8.867 -2.013 503 HB3 ARG 62 HB1 ARG 62 98.638 9.131 -2.751 504 HG2 ARG 62 HG2 ARG 62 99.709 10.040 -4.766 505 HG3 ARG 62 HG1 ARG 62 101.296 9.819 -4.031 506 HD2 ARG 62 HD2 ARG 62 100.756 7.369 -3.811 507 HD3 ARG 62 HD1 ARG 62 99.303 7.660 -4.759 508 HE ARG 62 HE ARG 62 101.350 8.696 -6.285 509 HH11 ARG 62 HH11 ARG 62 102.562 6.258 -4.637 510 HH12 ARG 62 HH12 ARG 62 102.549 5.051 -5.875 511 HH21 ARG 62 HH21 ARG 62 100.513 6.881 -7.993 512 HH22 ARG 62 HH22 ARG 62 101.389 5.405 -7.776 513 H LYS 63 HN LYS 63 100.312 12.219 -4.310 514 HA LYS 63 HA LYS 63 98.188 14.045 -4.447 515 HB2 LYS 63 HB2 LYS 63 100.045 13.026 -6.602 516 HB3 LYS 63 HB1 LYS 63 98.928 14.367 -6.834 517 HG2 LYS 63 HG2 LYS 63 100.855 14.397 -4.512 518 HG3 LYS 63 HG1 LYS 63 101.401 14.874 -6.116 519 HD2 LYS 63 HD2 LYS 63 99.751 16.643 -6.230 520 HD3 LYS 63 HD1 LYS 63 98.993 16.109 -4.735 521 HE2 LYS 63 HE2 LYS 63 101.026 16.623 -3.480 522 HE3 LYS 63 HE1 LYS 63 101.842 17.098 -4.971 523 HZ1 LYS 63 HZ1 LYS 63 99.407 18.474 -4.801 524 HZ2 LYS 63 HZ2 LYS 63 100.983 19.109 -4.774 525 HZ3 LYS 63 HZ3 LYS 63 100.219 18.660 -3.324 526 H SER 64 HN SER 64 96.374 14.195 -5.723 527 HA SER 64 HA SER 64 94.872 11.795 -6.004 528 HB2 SER 64 HB2 SER 64 93.867 13.936 -5.345 529 HB3 SER 64 HB1 SER 64 94.236 14.595 -6.934 530 HG SER 64 HG SER 64 92.054 13.608 -6.497 531 H LYS 65 HN LYS 65 93.537 13.151 -8.429 532 HA LYS 65 HA LYS 65 93.648 11.538 -10.418 533 HB2 LYS 65 HB2 LYS 65 94.165 14.489 -10.745 534 HB3 LYS 65 HB1 LYS 65 93.755 13.415 -12.082 535 HG2 LYS 65 HG2 LYS 65 91.666 12.777 -10.938 536 HG3 LYS 65 HG1 LYS 65 92.069 13.859 -9.601 537 HD2 LYS 65 HD2 LYS 65 92.078 15.779 -11.144 538 HD3 LYS 65 HD1 LYS 65 91.687 14.707 -12.488 539 HE2 LYS 65 HE2 LYS 65 89.623 14.016 -11.104 540 HE3 LYS 65 HE1 LYS 65 89.970 15.435 -10.115 541 HZ1 LYS 65 HZ1 LYS 65 89.106 15.285 -12.909 542 HZ2 LYS 65 HZ2 LYS 65 90.105 16.578 -12.442 543 HZ3 LYS 65 HZ3 LYS 65 88.605 16.336 -11.680 544 H ARG 66 HN ARG 66 96.621 13.364 -9.654 545 HA ARG 66 HA ARG 66 98.024 12.656 -12.009 546 HB2 ARG 66 HB2 ARG 66 98.980 13.310 -9.218 547 HB3 ARG 66 HB1 ARG 66 100.085 12.987 -10.552 548 HG2 ARG 66 HG2 ARG 66 99.113 14.825 -11.840 549 HG3 ARG 66 HG1 ARG 66 97.939 15.130 -10.558 550 HD2 ARG 66 HD2 ARG 66 99.809 16.701 -10.361 551 HD3 ARG 66 HD1 ARG 66 99.809 15.598 -8.988 552 HE ARG 66 HE ARG 66 101.447 14.530 -11.032 553 HH11 ARG 66 HH11 ARG 66 102.213 17.501 -10.986 554 HH12 ARG 66 HH12 ARG 66 103.527 17.491 -9.855 555 HH21 ARG 66 HH21 ARG 66 102.754 14.364 -8.575 556 HH22 ARG 66 HH22 ARG 66 103.833 15.715 -8.494 557 H PHE 67 HN PHE 67 97.560 11.033 -8.928 558 HA PHE 67 HA PHE 67 98.678 8.545 -10.080 559 HB2 PHE 67 HB2 PHE 67 98.924 9.641 -7.272 560 HB3 PHE 67 HB1 PHE 67 99.123 7.928 -7.623 561 HD1 PHE 67 HD1 PHE 67 100.709 7.451 -9.764 562 HD2 PHE 67 HD2 PHE 67 100.866 10.951 -7.277 563 HE1 PHE 67 HE1 PHE 67 103.047 7.853 -10.475 564 HE2 PHE 67 HE2 PHE 67 103.205 11.351 -7.995 565 HZ PHE 67 HZ PHE 67 104.294 9.802 -9.590 566 H ARG 68 HN ARG 68 97.552 6.636 -9.505 567 HA ARG 68 HA ARG 68 94.725 7.006 -9.275 568 HB2 ARG 68 HB2 ARG 68 95.812 5.176 -10.580 569 HB3 ARG 68 HB1 ARG 68 96.346 4.455 -9.065 570 HG2 ARG 68 HG2 ARG 68 94.376 3.267 -9.464 571 HG3 ARG 68 HG1 ARG 68 93.779 4.563 -8.432 572 HD2 ARG 68 HD2 ARG 68 93.072 5.835 -10.419 573 HD3 ARG 68 HD1 ARG 68 93.713 4.570 -11.464 574 HE ARG 68 HE ARG 68 91.946 3.279 -9.788 575 HH11 ARG 68 HH11 ARG 68 90.200 2.540 -11.184 576 HH12 ARG 68 HH12 ARG 68 89.254 3.757 -11.974 577 HH21 ARG 68 HH21 ARG 68 91.415 6.342 -11.151 578 HH22 ARG 68 HH22 ARG 68 89.943 5.910 -11.957 579 H VAL 69 HN VAL 69 93.769 7.555 -7.411 580 HA VAL 69 HA VAL 69 94.219 5.898 -5.062 581 HB VAL 69 HB VAL 69 94.531 7.754 -3.513 582 HG11 VAL 69 HG11 VAL 69 96.537 6.671 -4.575 583 HG12 VAL 69 HG12 VAL 69 96.816 8.323 -4.008 584 HG13 VAL 69 HG13 VAL 69 96.574 8.007 -5.730 585 HG21 VAL 69 HG21 VAL 69 94.399 9.428 -6.024 586 HG22 VAL 69 HG22 VAL 69 95.141 10.022 -4.537 587 HG23 VAL 69 HG23 VAL 69 93.437 9.584 -4.552 588 H ARG 70 HN ARG 70 92.298 5.416 -4.210 589 HA ARG 70 HA ARG 70 90.023 7.281 -4.650 590 HB2 ARG 70 HB2 ARG 70 90.095 4.258 -4.696 591 HB3 ARG 70 HB1 ARG 70 88.600 5.170 -4.486 592 HG2 ARG 70 HG2 ARG 70 89.044 6.372 -6.608 593 HG3 ARG 70 HG1 ARG 70 90.516 5.428 -6.824 594 HD2 ARG 70 HD2 ARG 70 87.754 4.214 -6.564 595 HD3 ARG 70 HD1 ARG 70 88.542 4.542 -8.104 596 HE ARG 70 HE ARG 70 89.221 2.429 -6.217 597 HH11 ARG 70 HH11 ARG 70 89.249 1.178 -8.605 598 HH12 ARG 70 HH12 ARG 70 90.801 1.416 -9.337 599 HH21 ARG 70 HH21 ARG 70 91.634 4.111 -7.324 600 HH22 ARG 70 HH22 ARG 70 92.152 3.072 -8.607 601 H TYR 71 HN TYR 71 90.050 8.336 -2.732 602 HA TYR 71 HA TYR 71 90.651 7.013 -0.276 603 HB2 TYR 71 HB2 TYR 71 90.947 9.506 -0.879 604 HB3 TYR 71 HB1 TYR 71 89.231 9.668 -0.520 605 HD1 TYR 71 HD1 TYR 71 92.545 9.551 0.867 606 HD2 TYR 71 HD2 TYR 71 88.405 8.811 1.775 607 HE1 TYR 71 HE1 TYR 71 93.051 9.676 3.291 608 HE2 TYR 71 HE2 TYR 71 88.918 8.936 4.200 609 HH TYR 71 HH TYR 71 90.742 10.064 5.634 610 H ASP 72 HN ASP 72 89.323 5.424 0.254 611 HA ASP 72 HA ASP 72 86.830 5.928 1.468 612 HB2 ASP 72 HB2 ASP 72 85.972 6.169 -0.812 613 HB3 ASP 72 HB1 ASP 72 86.683 4.619 -1.263 614 H GLY 73 HN GLY 73 89.148 3.803 0.029 615 HA2 GLY 73 HA2 GLY 73 89.512 2.090 2.126 616 HA3 GLY 73 HA1 GLY 73 88.216 1.357 1.179 617 H ILE 74 HN ILE 74 89.396 2.669 -1.284 618 HA ILE 74 HA ILE 74 91.443 0.615 -1.845 619 HB ILE 74 HB ILE 74 89.598 2.209 -3.620 620 HG12 ILE 74 HG12 ILE 74 89.813 -0.781 -3.178 621 HG13 ILE 74 HG11 ILE 74 88.679 0.256 -2.310 622 HG21 ILE 74 HG21 ILE 74 91.556 2.011 -4.902 623 HG22 ILE 74 HG22 ILE 74 90.590 0.623 -5.405 624 HG23 ILE 74 HG23 ILE 74 91.923 0.404 -4.271 625 HD11 ILE 74 HD11 ILE 74 87.730 1.005 -4.465 626 HD12 ILE 74 HD12 ILE 74 87.589 -0.744 -4.267 627 HD13 ILE 74 HD13 ILE 74 88.842 -0.073 -5.311 628 H HIS 75 HN HIS 75 93.485 1.250 -1.978 629 HA HIS 75 HA HIS 75 94.094 3.887 -3.152 630 HB2 HIS 75 HB2 HIS 75 95.957 3.928 -1.239 631 HB3 HIS 75 HB1 HIS 75 94.341 4.588 -0.989 632 HD1 HIS 75 HD1 HIS 75 92.591 2.420 -0.218 633 HD2 HIS 75 HD2 HIS 75 96.606 2.334 0.888 634 HE1 HIS 75 HE1 HIS 75 92.755 0.867 1.771 635 H TYR 76 HN TYR 76 95.218 3.377 -4.910 636 HA TYR 76 HA TYR 76 97.197 1.187 -4.822 637 HB2 TYR 76 HB2 TYR 76 96.127 2.821 -7.134 638 HB3 TYR 76 HB1 TYR 76 97.278 1.498 -7.275 639 HD1 TYR 76 HD1 TYR 76 96.515 -0.779 -6.097 640 HD2 TYR 76 HD2 TYR 76 93.849 2.342 -7.378 641 HE1 TYR 76 HE1 TYR 76 94.648 -2.408 -6.216 642 HE2 TYR 76 HE2 TYR 76 91.989 0.709 -7.476 643 HH TYR 76 HH TYR 76 92.263 -2.378 -7.709 644 H LEU 77 HN LEU 77 99.309 1.609 -4.603 645 HA LEU 77 HA LEU 77 100.303 4.374 -4.992 646 HB2 LEU 77 HB2 LEU 77 101.696 2.123 -3.539 647 HB3 LEU 77 HB1 LEU 77 102.030 3.852 -3.443 648 HG LEU 77 HG LEU 77 99.509 2.461 -2.491 649 HD11 LEU 77 HD11 LEU 77 101.317 2.088 -0.943 650 HD12 LEU 77 HD12 LEU 77 100.292 3.357 -0.266 651 HD13 LEU 77 HD13 LEU 77 101.817 3.778 -1.044 652 HD21 LEU 77 HD21 LEU 77 100.292 5.370 -2.706 653 HD22 LEU 77 HD22 LEU 77 99.101 4.831 -1.523 654 HD23 LEU 77 HD23 LEU 77 98.803 4.595 -3.243 655 H ASP 78 HN ASP 78 100.741 4.393 -7.202 656 HA ASP 78 HA ASP 78 102.558 2.279 -8.232 657 HB2 ASP 78 HB2 ASP 78 100.574 4.059 -9.648 658 HB3 ASP 78 HB1 ASP 78 101.679 2.947 -10.460 659 H ILE 79 HN ILE 79 104.311 2.785 -9.490 660 HA ILE 79 HA ILE 79 105.139 5.631 -9.612 661 HB ILE 79 HB ILE 79 107.520 4.721 -9.409 662 HG12 ILE 79 HG12 ILE 79 106.087 2.388 -8.140 663 HG13 ILE 79 HG11 ILE 79 106.755 2.326 -9.769 664 HG21 ILE 79 HG21 ILE 79 107.427 4.762 -6.974 665 HG22 ILE 79 HG22 ILE 79 105.700 4.408 -7.004 666 HG23 ILE 79 HG23 ILE 79 106.294 5.953 -7.610 667 HD11 ILE 79 HD11 ILE 79 108.888 2.124 -9.009 668 HD12 ILE 79 HD12 ILE 79 108.145 1.681 -7.475 669 HD13 ILE 79 HD13 ILE 79 108.665 3.339 -7.750 670 H VAL 80 HN VAL 80 106.795 6.029 -11.379 671 HA VAL 80 HA VAL 80 106.409 4.149 -13.648 672 HB VAL 80 HB VAL 80 106.197 6.147 -15.125 673 HG11 VAL 80 HG11 VAL 80 103.861 6.640 -14.516 674 HG12 VAL 80 HG12 VAL 80 104.127 5.950 -12.915 675 HG13 VAL 80 HG13 VAL 80 104.196 4.917 -14.343 676 HG21 VAL 80 HG21 VAL 80 107.263 7.794 -13.661 677 HG22 VAL 80 HG22 VAL 80 105.992 7.576 -12.456 678 HG23 VAL 80 HG23 VAL 80 105.611 8.306 -14.015 679 H ASP 81 HN ASP 81 107.952 4.691 -15.454 680 HA ASP 81 HA ASP 81 110.603 4.583 -14.476 681 HB2 ASP 81 HB2 ASP 81 109.467 5.010 -17.242 682 HB3 ASP 81 HB1 ASP 81 111.196 4.863 -16.925 683 H CYS 82 HN CYS 82 110.232 6.581 -13.124 684 HA CYS 82 HA CYS 82 111.923 8.596 -13.624 685 HB2 CYS 82 HB2 CYS 82 110.985 9.457 -15.586 686 HB3 CYS 82 HB1 CYS 82 109.338 9.090 -15.078 687 HG CYS 82 HG CYS 82 109.253 11.472 -14.387 688 H LYS 83 HN LYS 83 111.961 10.036 -11.891 689 HA LYS 83 HA LYS 83 111.402 10.900 -9.850 690 HB2 LYS 83 HB2 LYS 83 109.281 11.504 -11.221 691 HB3 LYS 83 HB1 LYS 83 108.525 10.153 -10.377 692 HG2 LYS 83 HG2 LYS 83 109.015 11.157 -8.225 693 HG3 LYS 83 HG1 LYS 83 109.901 12.473 -9.001 694 HD2 LYS 83 HD2 LYS 83 107.824 13.138 -10.192 695 HD3 LYS 83 HD1 LYS 83 106.950 11.861 -9.342 696 HE2 LYS 83 HE2 LYS 83 107.529 12.899 -7.184 697 HE3 LYS 83 HE1 LYS 83 108.405 14.172 -8.034 698 HZ1 LYS 83 HZ1 LYS 83 105.499 13.656 -7.967 699 HZ2 LYS 83 HZ2 LYS 83 106.191 14.513 -9.261 700 HZ3 LYS 83 HZ3 LYS 83 106.332 15.105 -7.674 701 H SER 84 HN SER 84 112.500 8.491 -9.608 702 HA SER 84 HA SER 84 110.862 7.161 -7.564 703 HB2 SER 84 HB2 SER 84 111.051 5.070 -8.523 704 HB3 SER 84 HB1 SER 84 111.043 6.043 -9.990 705 HG SER 84 HG SER 84 112.795 4.502 -9.827 706 H TYR 85 HN TYR 85 114.008 7.864 -8.954 707 HA TYR 85 HA TYR 85 115.806 6.554 -7.354 708 HB2 TYR 85 HB2 TYR 85 116.585 7.742 -9.219 709 HB3 TYR 85 HB1 TYR 85 115.872 9.252 -8.669 710 HD1 TYR 85 HD1 TYR 85 117.509 10.817 -8.105 711 HD2 TYR 85 HD2 TYR 85 118.145 6.684 -7.102 712 HE1 TYR 85 HE1 TYR 85 119.646 11.413 -7.003 713 HE2 TYR 85 HE2 TYR 85 120.286 7.285 -6.002 714 HH TYR 85 HH TYR 85 121.158 10.557 -5.358 715 H ASP 86 HN ASP 86 114.233 6.761 -5.257 716 HA ASP 86 HA ASP 86 115.691 8.484 -3.413 717 HB2 ASP 86 HB2 ASP 86 113.814 9.876 -4.267 718 HB3 ASP 86 HB1 ASP 86 112.683 8.654 -3.693 719 H THR 87 HN THR 87 116.331 6.894 -1.946 720 HA THR 87 HA THR 87 114.605 4.658 -1.387 721 HB THR 87 HB THR 87 116.297 3.969 0.211 722 HG1 THR 87 HG1 THR 87 116.586 6.365 0.763 723 HG21 THR 87 HG21 THR 87 117.405 5.164 -2.337 724 HG22 THR 87 HG22 THR 87 116.905 3.496 -2.062 725 HG23 THR 87 HG23 THR 87 118.351 4.124 -1.271 726 H GLY 88 HN GLY 88 112.968 4.584 0.086 727 HA2 GLY 88 HA2 GLY 88 113.083 6.361 2.433 728 HA3 GLY 88 HA1 GLY 88 111.704 6.510 1.351 729 H GLU 89 HN GLU 89 110.230 5.838 3.004 730 HA GLU 89 HA GLU 89 110.203 2.910 3.383 731 HB2 GLU 89 HB2 GLU 89 109.750 3.112 5.766 732 HB3 GLU 89 HB1 GLU 89 111.290 3.880 5.388 733 HG2 GLU 89 HG2 GLU 89 110.142 6.088 5.309 734 HG3 GLU 89 HG1 GLU 89 108.635 5.302 5.777 735 H VAL 90 HN VAL 90 108.184 1.992 3.456 736 HA VAL 90 HA VAL 90 105.887 3.815 3.111 737 HB VAL 90 HB VAL 90 106.411 1.018 2.080 738 HG11 VAL 90 HG11 VAL 90 104.082 1.308 1.045 739 HG12 VAL 90 HG12 VAL 90 103.839 2.606 2.212 740 HG13 VAL 90 HG13 VAL 90 104.125 0.960 2.774 741 HG21 VAL 90 HG21 VAL 90 105.777 2.229 -0.098 742 HG22 VAL 90 HG22 VAL 90 107.340 2.641 0.605 743 HG23 VAL 90 HG23 VAL 90 105.968 3.726 0.807 744 H LYS 91 HN LYS 91 104.252 3.684 4.494 745 HA LYS 91 HA LYS 91 103.974 1.363 6.271 746 HB2 LYS 91 HB2 LYS 91 105.362 2.991 7.509 747 HB3 LYS 91 HB1 LYS 91 104.137 4.230 7.237 748 HG2 LYS 91 HG2 LYS 91 102.498 2.965 8.510 749 HG3 LYS 91 HG1 LYS 91 103.617 1.613 8.671 750 HD2 LYS 91 HD2 LYS 91 103.673 2.870 10.739 751 HD3 LYS 91 HD1 LYS 91 105.194 3.153 9.892 752 HE2 LYS 91 HE2 LYS 91 104.557 5.330 9.228 753 HE3 LYS 91 HE1 LYS 91 102.849 5.025 9.543 754 HZ1 LYS 91 HZ1 LYS 91 104.755 4.800 11.757 755 HZ2 LYS 91 HZ2 LYS 91 103.123 5.271 11.778 756 HZ3 LYS 91 HZ3 LYS 91 104.315 6.349 11.229 757 H VAL 92 HN VAL 92 101.874 0.847 6.595 758 HA VAL 92 HA VAL 92 99.828 2.723 5.540 759 HB VAL 92 HB VAL 92 99.936 -0.293 5.727 760 HG11 VAL 92 HG11 VAL 92 97.602 1.567 5.305 761 HG12 VAL 92 HG12 VAL 92 97.688 0.092 6.269 762 HG13 VAL 92 HG13 VAL 92 97.624 -0.008 4.511 763 HG21 VAL 92 HG21 VAL 92 101.079 0.773 3.809 764 HG22 VAL 92 HG22 VAL 92 99.590 1.624 3.401 765 HG23 VAL 92 HG23 VAL 92 99.661 -0.135 3.286 766 H THR 93 HN THR 93 98.485 3.588 6.978 767 HA THR 93 HA THR 93 98.070 2.191 9.564 768 HB THR 93 HB THR 93 98.367 4.166 10.780 769 HG1 THR 93 HG1 THR 93 97.559 5.289 8.416 770 HG21 THR 93 HG21 THR 93 100.542 4.993 10.154 771 HG22 THR 93 HG22 THR 93 100.290 4.533 8.470 772 HG23 THR 93 HG23 THR 93 100.484 3.288 9.703 773 H ALA 94 HN ALA 94 96.057 1.861 10.089 774 HA ALA 94 HA ALA 94 93.917 3.501 8.837 775 HB1 ALA 94 HB1 ALA 94 93.830 1.311 7.841 776 HB2 ALA 94 HB2 ALA 94 92.529 1.395 9.030 777 HB3 ALA 94 HB3 ALA 94 94.020 0.528 9.408 778 H GLU 95 HN GLU 95 92.357 4.250 10.270 779 HA GLU 95 HA GLU 95 92.521 3.289 13.066 780 HB2 GLU 95 HB2 GLU 95 93.923 5.323 12.786 781 HB3 GLU 95 HB1 GLU 95 92.491 6.200 12.250 782 HG2 GLU 95 HG2 GLU 95 91.386 5.777 14.385 783 HG3 GLU 95 HG1 GLU 95 92.750 4.798 14.924 784 H ASN 96 HN ASN 96 90.598 2.415 13.308 785 HA ASN 96 HA ASN 96 88.184 3.894 12.506 786 HB2 ASN 96 HB2 ASN 96 88.144 1.671 11.633 787 HB3 ASN 96 HB1 ASN 96 88.724 0.985 13.148 788 HD21 ASN 96 HD21 ASN 96 85.877 2.033 11.407 789 HD22 ASN 96 HD22 ASN 96 84.755 1.638 12.618 790 HA PRO 97 HA PRO 97 87.596 5.159 16.721 791 HB2 PRO 97 HB2 PRO 97 84.788 4.486 16.890 792 HB3 PRO 97 HB1 PRO 97 85.517 6.077 16.632 793 HG2 PRO 97 HG2 PRO 97 84.294 4.260 14.694 794 HG3 PRO 97 HG1 PRO 97 84.643 5.988 14.548 795 HD2 PRO 97 HD2 PRO 97 86.016 4.019 13.196 796 HD3 PRO 97 HD1 PRO 97 86.692 5.616 13.560 797 H GLU 98 HN GLU 98 86.973 1.859 15.748 798 HA GLU 98 HA GLU 98 86.635 1.046 18.583 799 HB2 GLU 98 HB2 GLU 98 85.884 -0.330 16.007 800 HB3 GLU 98 HB1 GLU 98 85.748 -1.063 17.605 801 HG2 GLU 98 HG2 GLU 98 84.256 0.743 18.331 802 HG3 GLU 98 HG1 GLU 98 84.416 1.522 16.757 803 H GLY 99 HN GLY 99 88.867 0.817 15.912 804 HA2 GLY 99 HA2 GLY 99 90.715 -0.638 17.567 805 HA3 GLY 99 HA1 GLY 99 90.132 -1.562 16.182 806 H VAL 100 HN VAL 100 92.769 -1.032 16.290 807 HA VAL 100 HA VAL 100 93.138 0.784 14.009 808 HB VAL 100 HB VAL 100 93.645 2.233 15.866 809 HG11 VAL 100 HG11 VAL 100 93.928 0.415 17.546 810 HG12 VAL 100 HG12 VAL 100 95.213 1.622 17.623 811 HG13 VAL 100 HG13 VAL 100 95.511 0.062 16.855 812 HG21 VAL 100 HG21 VAL 100 95.940 2.791 15.394 813 HG22 VAL 100 HG22 VAL 100 95.248 2.163 13.901 814 HG23 VAL 100 HG23 VAL 100 96.298 1.143 14.883 815 H ILE 101 HN ILE 101 94.607 0.015 12.555 816 HA ILE 101 HA ILE 101 96.537 -2.012 13.397 817 HB ILE 101 HB ILE 101 95.789 -3.386 11.283 818 HG12 ILE 101 HG12 ILE 101 93.213 -1.937 12.021 819 HG13 ILE 101 HG11 ILE 101 94.115 -1.727 10.513 820 HG21 ILE 101 HG21 ILE 101 94.363 -4.764 12.681 821 HG22 ILE 101 HG22 ILE 101 94.068 -3.417 13.777 822 HG23 ILE 101 HG23 ILE 101 95.676 -4.135 13.672 823 HD11 ILE 101 HD11 ILE 101 92.676 -4.195 11.484 824 HD12 ILE 101 HD12 ILE 101 93.877 -4.259 10.192 825 HD13 ILE 101 HD13 ILE 101 92.410 -3.294 9.994 826 H GLU 102 HN GLU 102 98.407 -1.815 12.488 827 HA GLU 102 HA GLU 102 98.709 -0.592 9.840 828 HB2 GLU 102 HB2 GLU 102 100.314 1.046 10.599 829 HB3 GLU 102 HB1 GLU 102 98.839 1.255 11.541 830 HG2 GLU 102 HG2 GLU 102 99.838 -0.101 13.371 831 HG3 GLU 102 HG1 GLU 102 101.333 -0.222 12.446 832 H HIS 103 HN HIS 103 101.011 -0.748 9.107 833 HA HIS 103 HA HIS 103 102.629 -2.814 10.418 834 HB2 HIS 103 HB2 HIS 103 101.513 -3.079 7.618 835 HB3 HIS 103 HB1 HIS 103 102.895 -4.004 8.194 836 HD1 HIS 103 HD1 HIS 103 99.929 -5.052 7.419 837 HD2 HIS 103 HD2 HIS 103 101.535 -4.695 11.242 838 HE1 HIS 103 HE1 HIS 103 98.615 -6.636 8.892 839 H LYS 104 HN LYS 104 104.810 -2.587 10.015 840 HA LYS 104 HA LYS 104 105.613 -0.169 8.535 841 HB2 LYS 104 HB2 LYS 104 107.133 -2.013 10.406 842 HB3 LYS 104 HB1 LYS 104 107.836 -0.610 9.599 843 HG2 LYS 104 HG2 LYS 104 106.198 0.865 10.690 844 HG3 LYS 104 HG1 LYS 104 105.455 -0.527 11.478 845 HD2 LYS 104 HD2 LYS 104 107.565 -1.004 12.656 846 HD3 LYS 104 HD1 LYS 104 108.327 0.375 11.860 847 HE2 LYS 104 HE2 LYS 104 106.684 1.891 12.913 848 HE3 LYS 104 HE1 LYS 104 105.921 0.514 13.706 849 HZ1 LYS 104 HZ1 LYS 104 108.700 0.484 14.194 850 HZ2 LYS 104 HZ2 LYS 104 107.422 0.601 15.308 851 HZ3 LYS 104 HZ3 LYS 104 108.078 2.006 14.610 852 H VAL 105 HN VAL 105 106.658 -0.228 6.652 853 HA VAL 105 HA VAL 105 107.828 -2.754 5.668 854 HB VAL 105 HB VAL 105 105.945 -1.001 4.058 855 HG11 VAL 105 HG11 VAL 105 106.167 -2.653 2.339 856 HG12 VAL 105 HG12 VAL 105 107.050 -3.741 3.410 857 HG13 VAL 105 HG13 VAL 105 107.799 -2.254 2.858 858 HG21 VAL 105 HG21 VAL 105 104.709 -2.228 5.772 859 HG22 VAL 105 HG22 VAL 105 105.534 -3.723 5.334 860 HG23 VAL 105 HG23 VAL 105 104.417 -2.969 4.197 861 H LYS 106 HN LYS 106 109.680 -2.443 4.444 862 HA LYS 106 HA LYS 106 110.587 0.360 4.140 863 HB2 LYS 106 HB2 LYS 106 111.836 -1.237 5.684 864 HB3 LYS 106 HB1 LYS 106 112.308 -2.114 4.233 865 HG2 LYS 106 HG2 LYS 106 114.112 -0.648 4.519 866 HG3 LYS 106 HG1 LYS 106 113.105 0.225 3.366 867 HD2 LYS 106 HD2 LYS 106 112.200 1.632 5.122 868 HD3 LYS 106 HD1 LYS 106 112.981 0.656 6.368 869 HE2 LYS 106 HE2 LYS 106 114.291 2.663 5.985 870 HE3 LYS 106 HE1 LYS 106 115.189 1.262 5.401 871 HZ1 LYS 106 HZ1 LYS 106 114.290 1.742 3.164 872 HZ2 LYS 106 HZ2 LYS 106 115.297 2.972 3.761 873 HZ3 LYS 106 HZ3 LYS 106 113.610 3.174 3.771 874 H LEU 107 HN LEU 107 110.683 1.126 2.134 875 HA LEU 107 HA LEU 107 111.292 -0.742 -0.100 876 HB2 LEU 107 HB2 LEU 107 109.319 1.534 0.051 877 HB3 LEU 107 HB1 LEU 107 110.058 1.115 -1.493 878 HG LEU 107 HG LEU 107 109.284 -1.222 -1.212 879 HD11 LEU 107 HD11 LEU 107 108.446 -0.146 1.437 880 HD12 LEU 107 HD12 LEU 107 108.979 -1.763 0.973 881 HD13 LEU 107 HD13 LEU 107 107.321 -1.262 0.657 882 HD21 LEU 107 HD21 LEU 107 107.379 1.098 -1.289 883 HD22 LEU 107 HD22 LEU 107 106.708 -0.533 -1.248 884 HD23 LEU 107 HD23 LEU 107 107.789 -0.055 -2.554 885 H GLU 108 HN GLU 108 113.135 -0.274 -1.127 886 HA GLU 108 HA GLU 108 114.230 2.468 -0.868 887 HB2 GLU 108 HB2 GLU 108 115.952 0.026 -1.241 888 HB3 GLU 108 HB1 GLU 108 116.376 1.594 -0.551 889 HG2 GLU 108 HG2 GLU 108 114.792 1.073 1.353 890 HG3 GLU 108 HG1 GLU 108 114.653 -0.559 0.693 891 H ILE 109 HN ILE 109 114.326 3.480 -2.845 892 HA ILE 109 HA ILE 109 114.561 1.702 -5.223 893 HB ILE 109 HB ILE 109 112.569 2.800 -5.622 894 HG12 ILE 109 HG12 ILE 109 112.905 4.524 -7.246 895 HG13 ILE 109 HG11 ILE 109 114.473 4.931 -6.584 896 HG21 ILE 109 HG21 ILE 109 112.691 4.166 -3.548 897 HG22 ILE 109 HG22 ILE 109 112.036 5.040 -4.928 898 HG23 ILE 109 HG23 ILE 109 113.703 5.291 -4.441 899 HD11 ILE 109 HD11 ILE 109 114.094 3.319 -8.745 900 HD12 ILE 109 HD12 ILE 109 114.203 2.142 -7.456 901 HD13 ILE 109 HD13 ILE 109 115.517 3.264 -7.714 902 H GLN 110 HN GLN 110 116.425 1.582 -5.993 903 HA GLN 110 HA GLN 110 118.510 3.533 -5.390 904 HB2 GLN 110 HB2 GLN 110 118.657 0.925 -6.917 905 HB3 GLN 110 HB1 GLN 110 120.034 1.884 -6.378 906 HG2 GLN 110 HG2 GLN 110 117.925 0.726 -4.532 907 HG3 GLN 110 HG1 GLN 110 119.503 -0.004 -4.824 908 HE21 GLN 110 HE21 GLN 110 117.972 1.795 -2.546 909 HE22 GLN 110 HE22 GLN 110 119.273 2.726 -1.976 910 H GLN 111 HN GLN 111 119.638 2.346 -8.150 911 HA GLN 111 HA GLN 111 118.275 4.135 -10.011 912 HB2 GLN 111 HB2 GLN 111 119.953 5.543 -8.804 913 HB3 GLN 111 HB1 GLN 111 121.219 4.472 -9.401 914 HG2 GLN 111 HG2 GLN 111 120.687 5.027 -11.702 915 HG3 GLN 111 HG1 GLN 111 119.283 5.960 -11.190 916 HE21 GLN 111 HE21 GLN 111 119.972 8.055 -11.863 917 HE22 GLN 111 HE22 GLN 111 121.355 8.817 -11.238 918 H LEU 112 HN LEU 112 118.849 3.779 -12.218 919 HA LEU 112 HA LEU 112 118.838 1.513 -13.414 920 HB2 LEU 112 HB2 LEU 112 119.354 3.592 -14.623 921 HB3 LEU 112 HB1 LEU 112 121.031 3.485 -14.098 922 HG LEU 112 HG LEU 112 121.229 1.295 -15.292 923 HD11 LEU 112 HD11 LEU 112 119.310 0.969 -17.057 924 HD12 LEU 112 HD12 LEU 112 118.344 1.913 -15.924 925 HD13 LEU 112 HD13 LEU 112 119.064 0.384 -15.415 926 HD21 LEU 112 HD21 LEU 112 120.304 3.698 -16.889 927 HD22 LEU 112 HD22 LEU 112 121.085 2.289 -17.606 928 HD23 LEU 112 HD23 LEU 112 121.960 3.289 -16.445 929 H GLU 113 HN GLU 113 122.240 2.353 -13.412 930 HA GLU 113 HA GLU 113 122.943 -0.100 -11.949 931 HB2 GLU 113 HB2 GLU 113 123.663 0.477 -14.827 932 HB3 GLU 113 HB1 GLU 113 124.568 -0.662 -13.831 933 HG2 GLU 113 HG2 GLU 113 122.547 -1.977 -13.439 934 HG3 GLU 113 HG1 GLU 113 121.582 -0.817 -14.345 935 H HIS 114 HN HIS 114 123.695 1.414 -10.377 936 HA HIS 114 HA HIS 114 126.070 3.006 -11.131 937 HB2 HIS 114 HB2 HIS 114 124.210 4.144 -9.916 938 HB3 HIS 114 HB1 HIS 114 124.476 3.050 -8.558 939 HD1 HIS 114 HD1 HIS 114 126.270 3.692 -6.922 940 HD2 HIS 114 HD2 HIS 114 126.614 5.786 -10.512 941 HE1 HIS 114 HE1 HIS 114 128.118 5.392 -6.588 942 H HIS 115 HN HIS 115 125.138 0.102 -9.590 943 HA HIS 115 HA HIS 115 127.801 -0.141 -8.289 944 HB2 HIS 115 HB2 HIS 115 125.122 -1.318 -7.535 945 HB3 HIS 115 HB1 HIS 115 126.647 -1.912 -6.879 946 HD1 HIS 115 HD1 HIS 115 128.097 -0.146 -5.497 947 HD2 HIS 115 HD2 HIS 115 124.204 1.060 -6.370 948 HE1 HIS 115 HE1 HIS 115 127.599 1.817 -3.977 949 H HIS 116 HN HIS 116 129.114 -1.639 -9.049 950 HA HIS 116 HA HIS 116 128.158 -3.482 -11.131 951 HB2 HIS 116 HB2 HIS 116 130.961 -2.811 -10.200 952 HB3 HIS 116 HB1 HIS 116 130.550 -3.830 -11.580 953 HD1 HIS 116 HD1 HIS 116 132.144 -1.159 -11.929 954 HD2 HIS 116 HD2 HIS 116 128.013 -1.509 -12.373 955 HE1 HIS 116 HE1 HIS 116 131.411 0.775 -13.392 956 H HIS 117 HN HIS 117 127.687 -3.821 -8.161 957 HA HIS 117 HA HIS 117 129.302 -5.879 -7.129 958 HB2 HIS 117 HB2 HIS 117 127.708 -4.578 -5.763 959 HB3 HIS 117 HB1 HIS 117 126.366 -5.358 -6.602 960 HD1 HIS 117 HD1 HIS 117 129.482 -6.467 -4.680 961 HD2 HIS 117 HD2 HIS 117 125.531 -7.642 -5.305 962 HE1 HIS 117 HE1 HIS 117 129.107 -8.519 -3.242 963 H HIS 118 HN HIS 118 126.373 -5.984 -9.109 964 HA HIS 118 HA HIS 118 125.887 -8.737 -9.041 965 HB2 HIS 118 HB2 HIS 118 124.406 -6.933 -10.005 966 HB3 HIS 118 HB1 HIS 118 125.450 -6.929 -11.425 967 HD1 HIS 118 HD1 HIS 118 125.357 -8.985 -12.991 968 HD2 HIS 118 HD2 HIS 118 122.779 -9.265 -9.727 969 HE1 HIS 118 HE1 HIS 118 123.802 -10.926 -13.471 970 H HIS 119 HN HIS 119 127.682 -10.032 -9.232 971 HA HIS 119 HA HIS 119 129.493 -11.081 -10.195 972 HB2 HIS 119 HB2 HIS 119 127.781 -10.606 -12.646 973 HB3 HIS 119 HB1 HIS 119 129.116 -11.754 -12.541 974 HD1 HIS 119 HD1 HIS 119 126.466 -13.010 -13.128 975 HD2 HIS 119 HD2 HIS 119 127.714 -12.260 -9.221 976 HE1 HIS 119 HE1 HIS 119 125.123 -14.555 -11.636 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 99.251 -14.771 6.450 2 H2 ARG 1 HT2 ARG 1 97.802 -15.643 6.614 3 H3 ARG 1 HT3 ARG 1 98.193 -14.908 5.131 4 HA ARG 1 HA ARG 1 100.005 -16.910 6.282 5 HB2 ARG 1 HB2 ARG 1 98.732 -18.643 4.984 6 HB3 ARG 1 HB1 ARG 1 97.843 -18.004 6.370 7 HG2 ARG 1 HG2 ARG 1 96.640 -16.448 4.877 8 HG3 ARG 1 HG1 ARG 1 97.519 -17.094 3.496 9 HD2 ARG 1 HD2 ARG 1 96.564 -19.322 3.910 10 HD3 ARG 1 HD1 ARG 1 95.696 -18.695 5.310 11 HE ARG 1 HE ARG 1 94.184 -17.642 3.861 12 HH11 ARG 1 HH11 ARG 1 96.639 -16.904 1.963 13 HH12 ARG 1 HH12 ARG 1 96.054 -17.588 0.486 14 HH21 ARG 1 HH21 ARG 1 93.524 -19.400 2.006 15 HH22 ARG 1 HH22 ARG 1 94.292 -18.993 0.506 16 H MET 2 HN MET 2 101.629 -17.306 4.905 17 HA MET 2 HA MET 2 102.083 -15.639 2.663 18 HB2 MET 2 HB2 MET 2 103.431 -18.126 3.723 19 HB3 MET 2 HB1 MET 2 103.984 -17.323 2.251 20 HG2 MET 2 HG2 MET 2 104.416 -15.270 3.446 21 HG3 MET 2 HG1 MET 2 103.649 -15.898 4.905 22 HE1 MET 2 HE1 MET 2 107.432 -15.626 5.813 23 HE2 MET 2 HE2 MET 2 105.793 -15.110 6.193 24 HE3 MET 2 HE3 MET 2 106.543 -14.592 4.687 25 H ALA 3 HN ALA 3 100.965 -18.985 2.974 26 HA ALA 3 HA ALA 3 101.126 -20.020 0.481 27 HB1 ALA 3 HB1 ALA 3 99.196 -21.339 0.945 28 HB2 ALA 3 HB2 ALA 3 98.538 -20.110 2.029 29 HB3 ALA 3 HB3 ALA 3 99.969 -21.026 2.501 30 H HIS 4 HN HIS 4 101.047 -18.563 -1.249 31 HA HIS 4 HA HIS 4 98.816 -16.786 -1.633 32 HB2 HIS 4 HB2 HIS 4 101.139 -16.385 -2.542 33 HB3 HIS 4 HB1 HIS 4 100.832 -17.666 -3.713 34 HD1 HIS 4 HD1 HIS 4 99.188 -14.414 -2.558 35 HD2 HIS 4 HD2 HIS 4 99.553 -16.747 -5.997 36 HE1 HIS 4 HE1 HIS 4 98.012 -13.149 -4.411 37 H GLU 5 HN GLU 5 99.836 -19.887 -3.021 38 HA GLU 5 HA GLU 5 97.612 -20.094 -4.820 39 HB2 GLU 5 HB2 GLU 5 99.643 -22.106 -3.823 40 HB3 GLU 5 HB1 GLU 5 98.407 -22.480 -5.027 41 HG2 GLU 5 HG2 GLU 5 99.265 -20.742 -6.511 42 HG3 GLU 5 HG1 GLU 5 100.436 -20.244 -5.294 43 H GLY 6 HN GLY 6 96.810 -19.581 -2.081 44 HA2 GLY 6 HA2 GLY 6 95.712 -22.057 -1.031 45 HA3 GLY 6 HA1 GLY 6 95.483 -20.441 -0.367 46 H ALA 7 HN ALA 7 93.339 -20.170 -0.240 47 HA ALA 7 HA ALA 7 91.458 -21.289 -2.067 48 HB1 ALA 7 HB1 ALA 7 90.951 -18.966 -0.204 49 HB2 ALA 7 HB2 ALA 7 91.057 -20.631 0.367 50 HB3 ALA 7 HB3 ALA 7 89.797 -20.172 -0.779 51 H LEU 8 HN LEU 8 90.256 -20.283 -3.703 52 HA LEU 8 HA LEU 8 91.603 -18.136 -5.079 53 HB2 LEU 8 HB2 LEU 8 89.116 -19.753 -5.599 54 HB3 LEU 8 HB1 LEU 8 89.468 -18.326 -6.568 55 HG LEU 8 HG LEU 8 91.605 -19.251 -7.259 56 HD11 LEU 8 HD11 LEU 8 92.419 -20.447 -5.405 57 HD12 LEU 8 HD12 LEU 8 92.016 -21.728 -6.544 58 HD13 LEU 8 HD13 LEU 8 90.924 -21.360 -5.210 59 HD21 LEU 8 HD21 LEU 8 89.579 -19.922 -8.515 60 HD22 LEU 8 HD22 LEU 8 89.383 -21.316 -7.451 61 HD23 LEU 8 HD23 LEU 8 90.783 -21.209 -8.522 62 H THR 9 HN THR 9 91.079 -16.023 -5.150 63 HA THR 9 HA THR 9 89.505 -14.894 -3.086 64 HB THR 9 HB THR 9 91.316 -13.602 -4.013 65 HG1 THR 9 HG1 THR 9 88.726 -12.757 -4.139 66 HG21 THR 9 HG21 THR 9 91.299 -12.869 -6.363 67 HG22 THR 9 HG22 THR 9 89.814 -13.780 -6.636 68 HG23 THR 9 HG23 THR 9 91.313 -14.630 -6.254 69 H GLY 10 HN GLY 10 87.585 -13.619 -3.294 70 HA2 GLY 10 HA2 GLY 10 85.976 -13.735 -5.675 71 HA3 GLY 10 HA1 GLY 10 85.404 -14.820 -4.411 72 H VAL 11 HN VAL 11 83.471 -13.476 -4.404 73 HA VAL 11 HA VAL 11 83.726 -10.760 -3.366 74 HB VAL 11 HB VAL 11 81.312 -10.674 -3.571 75 HG11 VAL 11 HG11 VAL 11 82.828 -10.494 -5.610 76 HG12 VAL 11 HG12 VAL 11 81.150 -10.912 -5.946 77 HG13 VAL 11 HG13 VAL 11 82.391 -12.163 -5.974 78 HG21 VAL 11 HG21 VAL 11 80.640 -12.841 -2.815 79 HG22 VAL 11 HG22 VAL 11 81.610 -13.653 -4.046 80 HG23 VAL 11 HG23 VAL 11 80.162 -12.757 -4.505 81 H THR 12 HN THR 12 83.461 -10.171 -1.315 82 HA THR 12 HA THR 12 83.643 -12.007 0.788 83 HB THR 12 HB THR 12 83.093 -10.038 2.230 84 HG1 THR 12 HG1 THR 12 81.752 -8.789 1.121 85 HG21 THR 12 HG21 THR 12 85.047 -8.664 1.401 86 HG22 THR 12 HG22 THR 12 85.091 -9.711 -0.018 87 HG23 THR 12 HG23 THR 12 85.385 -10.384 1.583 88 H THR 13 HN THR 13 81.099 -11.962 -1.157 89 HA THR 13 HA THR 13 78.867 -12.490 -0.981 90 HB THR 13 HB THR 13 79.924 -13.700 1.588 91 HG1 THR 13 HG1 THR 13 80.363 -15.363 0.362 92 HG21 THR 13 HG21 THR 13 77.598 -13.564 1.962 93 HG22 THR 13 HG22 THR 13 77.807 -15.166 1.259 94 HG23 THR 13 HG23 THR 13 77.218 -13.839 0.259 95 H ASP 14 HN ASP 14 77.980 -10.437 -0.850 96 HA ASP 14 HA ASP 14 76.497 -8.947 0.111 97 HB2 ASP 14 HB2 ASP 14 76.235 -10.874 1.906 98 HB3 ASP 14 HB1 ASP 14 77.225 -9.812 2.898 99 H GLN 15 HN GLN 15 77.122 -6.900 0.061 100 HA GLN 15 HA GLN 15 79.792 -6.168 0.983 101 HB2 GLN 15 HB2 GLN 15 77.753 -4.462 -0.451 102 HB3 GLN 15 HB1 GLN 15 79.485 -4.156 -0.293 103 HG2 GLN 15 HG2 GLN 15 79.298 -5.109 -2.448 104 HG3 GLN 15 HG1 GLN 15 79.789 -6.469 -1.444 105 HE21 GLN 15 HE21 GLN 15 78.723 -8.088 -2.746 106 HE22 GLN 15 HE22 GLN 15 77.033 -8.185 -2.864 107 H LYS 16 HN LYS 16 77.217 -6.565 2.736 108 HA LYS 16 HA LYS 16 77.621 -4.090 4.332 109 HB2 LYS 16 HB2 LYS 16 75.273 -4.247 5.051 110 HB3 LYS 16 HB1 LYS 16 75.390 -4.016 3.311 111 HG2 LYS 16 HG2 LYS 16 75.072 -6.418 2.941 112 HG3 LYS 16 HG1 LYS 16 75.002 -6.697 4.678 113 HD2 LYS 16 HD2 LYS 16 73.099 -4.722 3.423 114 HD3 LYS 16 HD1 LYS 16 72.767 -6.443 3.278 115 HE2 LYS 16 HE2 LYS 16 71.608 -5.739 5.234 116 HE3 LYS 16 HE1 LYS 16 73.043 -6.564 5.830 117 HZ1 LYS 16 HZ1 LYS 16 73.109 -3.661 5.344 118 HZ2 LYS 16 HZ2 LYS 16 74.036 -4.589 6.423 119 HZ3 LYS 16 HZ3 LYS 16 72.406 -4.254 6.766 120 H GLU 17 HN GLU 17 78.511 -7.134 4.262 121 HA GLU 17 HA GLU 17 77.603 -8.076 6.854 122 HB2 GLU 17 HB2 GLU 17 78.138 -9.642 5.006 123 HB3 GLU 17 HB1 GLU 17 79.823 -9.138 5.085 124 HG2 GLU 17 HG2 GLU 17 79.957 -9.911 7.421 125 HG3 GLU 17 HG1 GLU 17 78.258 -10.385 7.366 126 H LYS 18 HN LYS 18 78.869 -8.284 8.724 127 HA LYS 18 HA LYS 18 81.076 -6.344 8.916 128 HB2 LYS 18 HB2 LYS 18 79.255 -6.225 10.593 129 HB3 LYS 18 HB1 LYS 18 79.630 -7.874 11.101 130 HG2 LYS 18 HG2 LYS 18 81.863 -7.227 11.785 131 HG3 LYS 18 HG1 LYS 18 81.639 -5.604 11.130 132 HD2 LYS 18 HD2 LYS 18 79.812 -5.209 12.745 133 HD3 LYS 18 HD1 LYS 18 80.058 -6.824 13.414 134 HE2 LYS 18 HE2 LYS 18 82.275 -4.769 13.263 135 HE3 LYS 18 HE1 LYS 18 81.211 -4.917 14.663 136 HZ1 LYS 18 HZ1 LYS 18 81.997 -7.475 14.138 137 HZ2 LYS 18 HZ2 LYS 18 82.614 -6.470 15.361 138 HZ3 LYS 18 HZ3 LYS 18 83.400 -6.565 13.860 139 H GLN 19 HN GLN 19 83.101 -7.107 8.629 140 HA GLN 19 HA GLN 19 83.665 -9.933 9.295 141 HB2 GLN 19 HB2 GLN 19 85.180 -7.988 7.525 142 HB3 GLN 19 HB1 GLN 19 85.543 -9.695 7.743 143 HG2 GLN 19 HG2 GLN 19 83.289 -10.253 6.857 144 HG3 GLN 19 HG1 GLN 19 83.004 -8.533 6.589 145 HE21 GLN 19 HE21 GLN 19 84.138 -11.350 5.078 146 HE22 GLN 19 HE22 GLN 19 84.976 -10.617 3.798 147 H LYS 20 HN LYS 20 86.197 -10.080 9.801 148 HA LYS 20 HA LYS 20 86.549 -8.574 12.251 149 HB2 LYS 20 HB2 LYS 20 88.566 -10.458 11.041 150 HB3 LYS 20 HB1 LYS 20 88.323 -10.051 12.740 151 HG2 LYS 20 HG2 LYS 20 86.369 -11.583 10.997 152 HG3 LYS 20 HG1 LYS 20 87.408 -12.280 12.242 153 HD2 LYS 20 HD2 LYS 20 86.295 -10.595 13.854 154 HD3 LYS 20 HD1 LYS 20 85.080 -10.381 12.589 155 HE2 LYS 20 HE2 LYS 20 84.279 -12.089 14.099 156 HE3 LYS 20 HE1 LYS 20 84.747 -12.884 12.596 157 HZ1 LYS 20 HZ1 LYS 20 85.747 -14.186 14.205 158 HZ2 LYS 20 HZ2 LYS 20 86.136 -12.862 15.198 159 HZ3 LYS 20 HZ3 LYS 20 87.008 -13.139 13.768 160 HA PRO 21 HA PRO 21 88.980 -5.374 10.300 161 HB2 PRO 21 HB2 PRO 21 90.746 -5.013 12.578 162 HB3 PRO 21 HB1 PRO 21 89.427 -3.967 12.041 163 HG2 PRO 21 HG2 PRO 21 89.484 -5.705 14.308 164 HG3 PRO 21 HG1 PRO 21 88.154 -4.680 13.753 165 HD2 PRO 21 HD2 PRO 21 88.329 -7.560 13.628 166 HD3 PRO 21 HD1 PRO 21 87.003 -6.518 13.069 167 H ASP 22 HN ASP 22 90.816 -5.375 9.045 168 HA ASP 22 HA ASP 22 93.290 -6.497 9.679 169 HB2 ASP 22 HB2 ASP 22 91.949 -8.666 9.560 170 HB3 ASP 22 HB1 ASP 22 91.752 -8.338 7.846 171 H ILE 23 HN ILE 23 94.238 -4.846 8.560 172 HA ILE 23 HA ILE 23 93.392 -4.171 5.889 173 HB ILE 23 HB ILE 23 95.279 -2.587 5.887 174 HG12 ILE 23 HG12 ILE 23 95.858 -3.312 8.751 175 HG13 ILE 23 HG11 ILE 23 96.653 -4.225 7.476 176 HG21 ILE 23 HG21 ILE 23 93.291 -1.689 6.774 177 HG22 ILE 23 HG22 ILE 23 94.486 -1.334 8.020 178 HG23 ILE 23 HG23 ILE 23 93.374 -2.688 8.226 179 HD11 ILE 23 HD11 ILE 23 98.057 -2.331 8.156 180 HD12 ILE 23 HD12 ILE 23 96.737 -1.211 7.831 181 HD13 ILE 23 HD13 ILE 23 97.492 -2.094 6.503 182 H VAL 24 HN VAL 24 94.604 -4.294 3.987 183 HA VAL 24 HA VAL 24 96.481 -6.578 3.850 184 HB VAL 24 HB VAL 24 94.567 -5.399 1.819 185 HG11 VAL 24 HG11 VAL 24 96.552 -6.087 0.623 186 HG12 VAL 24 HG12 VAL 24 95.325 -7.328 0.392 187 HG13 VAL 24 HG13 VAL 24 96.639 -7.591 1.537 188 HG21 VAL 24 HG21 VAL 24 93.666 -6.871 3.659 189 HG22 VAL 24 HG22 VAL 24 94.691 -8.169 3.046 190 HG23 VAL 24 HG23 VAL 24 93.409 -7.505 2.034 191 H LEU 25 HN LEU 25 98.520 -6.231 3.088 192 HA LEU 25 HA LEU 25 99.138 -3.935 1.426 193 HB2 LEU 25 HB2 LEU 25 101.044 -3.288 3.082 194 HB3 LEU 25 HB1 LEU 25 99.419 -2.718 3.407 195 HG LEU 25 HG LEU 25 100.655 -3.654 5.405 196 HD11 LEU 25 HD11 LEU 25 98.715 -4.343 6.388 197 HD12 LEU 25 HD12 LEU 25 98.281 -5.433 5.086 198 HD13 LEU 25 HD13 LEU 25 98.009 -3.700 4.920 199 HD21 LEU 25 HD21 LEU 25 100.132 -6.347 4.135 200 HD22 LEU 25 HD22 LEU 25 101.008 -6.006 5.625 201 HD23 LEU 25 HD23 LEU 25 101.704 -5.544 4.073 202 H TYR 26 HN TYR 26 101.926 -3.963 1.697 203 HA TYR 26 HA TYR 26 102.559 -6.324 0.208 204 HB2 TYR 26 HB2 TYR 26 104.013 -3.880 1.077 205 HB3 TYR 26 HB1 TYR 26 105.032 -5.301 0.835 206 HD1 TYR 26 HD1 TYR 26 101.960 -4.008 -0.890 207 HD2 TYR 26 HD2 TYR 26 106.063 -5.223 -1.275 208 HE1 TYR 26 HE1 TYR 26 101.819 -3.693 -3.345 209 HE2 TYR 26 HE2 TYR 26 105.925 -4.901 -3.732 210 HH TYR 26 HH TYR 26 103.920 -3.172 -5.257 211 HA PRO 27 HA PRO 27 103.068 -8.744 4.005 212 HB2 PRO 27 HB2 PRO 27 104.277 -10.945 2.575 213 HB3 PRO 27 HB1 PRO 27 102.637 -10.836 3.225 214 HG2 PRO 27 HG2 PRO 27 103.472 -10.701 0.485 215 HG3 PRO 27 HG1 PRO 27 101.829 -10.644 1.132 216 HD2 PRO 27 HD2 PRO 27 103.339 -8.480 -0.013 217 HD3 PRO 27 HD1 PRO 27 101.706 -8.413 0.676 218 H GLU 28 HN GLU 28 105.575 -8.075 1.644 219 HA GLU 28 HA GLU 28 107.552 -8.058 3.820 220 HB2 GLU 28 HB2 GLU 28 108.343 -9.204 1.152 221 HB3 GLU 28 HB1 GLU 28 109.090 -9.447 2.732 222 HG2 GLU 28 HG2 GLU 28 106.953 -10.647 3.421 223 HG3 GLU 28 HG1 GLU 28 106.486 -10.606 1.719 224 HA PRO 29 HA PRO 29 108.973 -4.391 1.792 225 HB2 PRO 29 HB2 PRO 29 111.835 -4.921 2.003 226 HB3 PRO 29 HB1 PRO 29 110.831 -3.891 3.031 227 HG2 PRO 29 HG2 PRO 29 111.984 -6.236 3.862 228 HG3 PRO 29 HG1 PRO 29 110.554 -5.505 4.603 229 HD2 PRO 29 HD2 PRO 29 110.710 -7.785 2.664 230 HD3 PRO 29 HD1 PRO 29 109.631 -7.554 4.053 231 H VAL 30 HN VAL 30 109.980 -3.451 -0.137 232 HA VAL 30 HA VAL 30 111.039 -5.390 -2.096 233 HB VAL 30 HB VAL 30 108.647 -5.280 -2.562 234 HG11 VAL 30 HG11 VAL 30 108.063 -3.133 -1.628 235 HG12 VAL 30 HG12 VAL 30 107.694 -3.090 -3.352 236 HG13 VAL 30 HG13 VAL 30 109.142 -2.294 -2.742 237 HG21 VAL 30 HG21 VAL 30 108.805 -4.695 -4.907 238 HG22 VAL 30 HG22 VAL 30 110.344 -5.403 -4.421 239 HG23 VAL 30 HG23 VAL 30 110.196 -3.656 -4.604 240 H ARG 31 HN ARG 31 112.349 -4.543 -3.700 241 HA ARG 31 HA ARG 31 113.114 -1.685 -3.452 242 HB2 ARG 31 HB2 ARG 31 115.021 -3.996 -3.879 243 HB3 ARG 31 HB1 ARG 31 115.428 -2.311 -3.547 244 HG2 ARG 31 HG2 ARG 31 114.330 -2.510 -1.330 245 HG3 ARG 31 HG1 ARG 31 113.998 -4.204 -1.661 246 HD2 ARG 31 HD2 ARG 31 116.427 -4.629 -1.903 247 HD3 ARG 31 HD1 ARG 31 116.748 -2.938 -1.526 248 HE ARG 31 HE ARG 31 116.236 -3.375 0.723 249 HH11 ARG 31 HH11 ARG 31 114.629 -4.661 2.030 250 HH12 ARG 31 HH12 ARG 31 114.769 -6.381 1.874 251 HH21 ARG 31 HH21 ARG 31 116.799 -6.233 -0.928 252 HH22 ARG 31 HH22 ARG 31 115.995 -7.268 0.199 253 H VAL 32 HN VAL 32 113.389 -0.651 -5.428 254 HA VAL 32 HA VAL 32 113.510 -2.343 -7.860 255 HB VAL 32 HB VAL 32 111.212 -1.214 -7.343 256 HG11 VAL 32 HG11 VAL 32 112.602 1.185 -8.571 257 HG12 VAL 32 HG12 VAL 32 112.363 1.006 -6.839 258 HG13 VAL 32 HG13 VAL 32 110.970 1.095 -7.906 259 HG21 VAL 32 HG21 VAL 32 111.363 -2.177 -9.461 260 HG22 VAL 32 HG22 VAL 32 112.755 -1.205 -9.916 261 HG23 VAL 32 HG23 VAL 32 111.151 -0.480 -9.896 262 H LEU 33 HN LEU 33 114.552 -1.326 -9.700 263 HA LEU 33 HA LEU 33 116.645 0.573 -8.863 264 HB2 LEU 33 HB2 LEU 33 116.449 -1.017 -11.429 265 HB3 LEU 33 HB1 LEU 33 117.866 -0.189 -10.790 266 HG LEU 33 HG LEU 33 116.466 -2.550 -9.499 267 HD11 LEU 33 HD11 LEU 33 117.784 -2.999 -11.602 268 HD12 LEU 33 HD12 LEU 33 118.399 -3.831 -10.172 269 HD13 LEU 33 HD13 LEU 33 119.212 -2.384 -10.767 270 HD21 LEU 33 HD21 LEU 33 118.795 -0.803 -8.677 271 HD22 LEU 33 HD22 LEU 33 118.677 -2.475 -8.117 272 HD23 LEU 33 HD23 LEU 33 117.409 -1.318 -7.713 273 H GLU 34 HN GLU 34 116.788 2.593 -9.724 274 HA GLU 34 HA GLU 34 114.656 3.950 -10.789 275 HB2 GLU 34 HB2 GLU 34 116.933 4.830 -9.955 276 HB3 GLU 34 HB1 GLU 34 117.475 4.625 -11.618 277 HG2 GLU 34 HG2 GLU 34 115.053 6.263 -10.784 278 HG3 GLU 34 HG1 GLU 34 116.634 6.938 -11.158 279 H GLY 35 HN GLY 35 113.723 4.229 -12.731 280 HA2 GLY 35 HA2 GLY 35 113.787 4.373 -15.135 281 HA3 GLY 35 HA1 GLY 35 115.092 3.187 -15.147 282 H GLU 36 HN GLU 36 113.043 2.197 -12.828 283 HA GLU 36 HA GLU 36 111.540 0.394 -14.649 284 HB2 GLU 36 HB2 GLU 36 112.492 0.014 -11.804 285 HB3 GLU 36 HB1 GLU 36 111.439 -1.118 -12.652 286 HG2 GLU 36 HG2 GLU 36 113.234 -1.294 -14.428 287 HG3 GLU 36 HG1 GLU 36 114.277 -0.346 -13.369 288 H THR 37 HN THR 37 109.376 0.701 -14.674 289 HA THR 37 HA THR 37 108.138 2.484 -12.745 290 HB THR 37 HB THR 37 107.204 2.698 -14.893 291 HG1 THR 37 HG1 THR 37 105.168 2.320 -14.414 292 HG21 THR 37 HG21 THR 37 106.318 0.590 -16.085 293 HG22 THR 37 HG22 THR 37 107.298 -0.324 -14.938 294 HG23 THR 37 HG23 THR 37 108.066 0.812 -16.050 295 H ALA 38 HN ALA 38 106.547 1.867 -11.217 296 HA ALA 38 HA ALA 38 106.342 -1.049 -10.688 297 HB1 ALA 38 HB1 ALA 38 106.640 0.986 -8.498 298 HB2 ALA 38 HB2 ALA 38 108.030 0.166 -9.204 299 HB3 ALA 38 HB3 ALA 38 106.772 -0.765 -8.387 300 H ARG 39 HN ARG 39 104.690 -1.372 -8.859 301 HA ARG 39 HA ARG 39 102.422 0.460 -8.933 302 HB2 ARG 39 HB2 ARG 39 102.234 -2.352 -10.045 303 HB3 ARG 39 HB1 ARG 39 100.841 -1.382 -9.588 304 HG2 ARG 39 HG2 ARG 39 101.478 0.347 -11.220 305 HG3 ARG 39 HG1 ARG 39 102.894 -0.600 -11.674 306 HD2 ARG 39 HD2 ARG 39 101.113 -1.007 -13.280 307 HD3 ARG 39 HD1 ARG 39 101.407 -2.470 -12.344 308 HE ARG 39 HE ARG 39 99.372 -0.955 -11.091 309 HH11 ARG 39 HH11 ARG 39 99.775 -2.174 -14.265 310 HH12 ARG 39 HH12 ARG 39 98.245 -2.983 -14.318 311 HH21 ARG 39 HH21 ARG 39 97.469 -2.296 -11.005 312 HH22 ARG 39 HH22 ARG 39 96.938 -3.052 -12.470 313 H PHE 40 HN PHE 40 101.137 0.289 -7.141 314 HA PHE 40 HA PHE 40 101.578 -1.973 -5.282 315 HB2 PHE 40 HB2 PHE 40 101.643 0.968 -4.590 316 HB3 PHE 40 HB1 PHE 40 101.541 -0.326 -3.399 317 HD1 PHE 40 HD1 PHE 40 103.482 -1.444 -2.665 318 HD2 PHE 40 HD2 PHE 40 103.627 0.983 -6.201 319 HE1 PHE 40 HE1 PHE 40 105.950 -1.697 -2.733 320 HE2 PHE 40 HE2 PHE 40 106.089 0.733 -6.272 321 HZ PHE 40 HZ PHE 40 107.252 -0.608 -4.543 322 H ARG 41 HN ARG 41 99.779 -2.537 -4.074 323 HA ARG 41 HA ARG 41 97.329 -0.920 -4.411 324 HB2 ARG 41 HB2 ARG 41 96.036 -2.987 -4.733 325 HB3 ARG 41 HB1 ARG 41 97.220 -2.772 -6.021 326 HG2 ARG 41 HG2 ARG 41 98.749 -4.333 -4.899 327 HG3 ARG 41 HG1 ARG 41 97.591 -4.542 -3.582 328 HD2 ARG 41 HD2 ARG 41 95.916 -5.349 -5.240 329 HD3 ARG 41 HD1 ARG 41 97.146 -5.235 -6.495 330 HE ARG 41 HE ARG 41 98.030 -6.840 -4.291 331 HH11 ARG 41 HH11 ARG 41 98.223 -9.072 -4.712 332 HH12 ARG 41 HH12 ARG 41 97.361 -9.769 -6.043 333 HH21 ARG 41 HH21 ARG 41 95.957 -6.759 -7.054 334 HH22 ARG 41 HH22 ARG 41 96.077 -8.459 -7.371 335 H CYS 42 HN CYS 42 95.869 -1.058 -2.680 336 HA CYS 42 HA CYS 42 96.454 -2.754 -0.414 337 HB2 CYS 42 HB2 CYS 42 97.096 0.166 -0.423 338 HB3 CYS 42 HB1 CYS 42 96.524 -0.586 1.072 339 HG CYS 42 HG CYS 42 99.255 -1.060 -0.243 340 H ARG 43 HN ARG 43 94.672 -3.183 0.699 341 HA ARG 43 HA ARG 43 92.260 -1.491 0.329 342 HB2 ARG 43 HB2 ARG 43 92.373 -3.625 -1.098 343 HB3 ARG 43 HB1 ARG 43 92.290 -4.516 0.420 344 HG2 ARG 43 HG2 ARG 43 90.134 -3.518 0.937 345 HG3 ARG 43 HG1 ARG 43 90.233 -2.480 -0.486 346 HD2 ARG 43 HD2 ARG 43 90.316 -4.558 -1.886 347 HD3 ARG 43 HD1 ARG 43 90.052 -5.506 -0.421 348 HE ARG 43 HE ARG 43 88.098 -3.775 -1.756 349 HH11 ARG 43 HH11 ARG 43 85.961 -4.309 -1.205 350 HH12 ARG 43 HH12 ARG 43 85.642 -5.125 0.290 351 HH21 ARG 43 HH21 ARG 43 88.988 -5.456 1.130 352 HH22 ARG 43 HH22 ARG 43 87.354 -5.773 1.609 353 H VAL 44 HN VAL 44 90.517 -2.314 2.121 354 HA VAL 44 HA VAL 44 91.975 -2.866 4.631 355 HB VAL 44 HB VAL 44 90.271 -1.520 5.760 356 HG11 VAL 44 HG11 VAL 44 92.285 -0.348 5.053 357 HG12 VAL 44 HG12 VAL 44 90.891 0.714 4.839 358 HG13 VAL 44 HG13 VAL 44 91.603 -0.095 3.443 359 HG21 VAL 44 HG21 VAL 44 88.787 -0.083 4.196 360 HG22 VAL 44 HG22 VAL 44 88.343 -1.775 4.407 361 HG23 VAL 44 HG23 VAL 44 89.191 -1.263 2.951 362 H THR 45 HN THR 45 90.315 -3.807 6.291 363 HA THR 45 HA THR 45 88.123 -5.276 5.035 364 HB THR 45 HB THR 45 90.005 -6.857 6.775 365 HG1 THR 45 HG1 THR 45 90.378 -7.378 4.185 366 HG21 THR 45 HG21 THR 45 87.737 -7.709 6.225 367 HG22 THR 45 HG22 THR 45 89.004 -8.728 5.544 368 HG23 THR 45 HG23 THR 45 88.129 -7.599 4.511 369 H GLY 46 HN GLY 46 86.594 -6.109 6.601 370 HA2 GLY 46 HA2 GLY 46 86.032 -6.425 8.969 371 HA3 GLY 46 HA1 GLY 46 86.901 -4.947 9.315 372 H TYR 47 HN TYR 47 86.003 -2.987 8.025 373 HA TYR 47 HA TYR 47 83.056 -3.070 7.908 374 HB2 TYR 47 HB2 TYR 47 84.356 -2.188 10.119 375 HB3 TYR 47 HB1 TYR 47 84.330 -0.685 9.201 376 HD1 TYR 47 HD1 TYR 47 82.454 0.696 9.458 377 HD2 TYR 47 HD2 TYR 47 82.067 -3.538 10.078 378 HE1 TYR 47 HE1 TYR 47 80.078 1.011 10.121 379 HE2 TYR 47 HE2 TYR 47 79.692 -3.222 10.738 380 HH TYR 47 HH TYR 47 77.867 -1.393 10.212 381 HA PRO 48 HA PRO 48 83.432 -0.705 4.146 382 HB2 PRO 48 HB2 PRO 48 81.484 1.324 4.854 383 HB3 PRO 48 HB1 PRO 48 81.280 -0.052 3.761 384 HG2 PRO 48 HG2 PRO 48 80.416 0.251 6.543 385 HG3 PRO 48 HG1 PRO 48 79.863 -0.899 5.314 386 HD2 PRO 48 HD2 PRO 48 81.380 -1.616 7.469 387 HD3 PRO 48 HD1 PRO 48 81.402 -2.506 5.943 388 H GLN 49 HN GLN 49 83.926 1.453 3.392 389 HA GLN 49 HA GLN 49 86.018 2.760 3.751 390 HB2 GLN 49 HB2 GLN 49 83.479 4.336 4.162 391 HB3 GLN 49 HB1 GLN 49 85.011 4.953 3.547 392 HG2 GLN 49 HG2 GLN 49 84.858 3.447 1.612 393 HG3 GLN 49 HG1 GLN 49 83.344 2.789 2.233 394 HE21 GLN 49 HE21 GLN 49 83.000 5.833 3.198 395 HE22 GLN 49 HE22 GLN 49 82.308 6.551 1.825 396 HA PRO 50 HA PRO 50 86.133 3.430 8.329 397 HB2 PRO 50 HB2 PRO 50 88.783 2.227 8.369 398 HB3 PRO 50 HB1 PRO 50 87.298 1.596 9.097 399 HG2 PRO 50 HG2 PRO 50 88.611 0.453 6.950 400 HG3 PRO 50 HG1 PRO 50 86.909 0.188 7.353 401 HD2 PRO 50 HD2 PRO 50 88.090 1.985 5.261 402 HD3 PRO 50 HD1 PRO 50 86.593 1.029 5.210 403 H LYS 51 HN LYS 51 88.888 3.966 9.205 404 HA LYS 51 HA LYS 51 89.330 6.520 7.785 405 HB2 LYS 51 HB2 LYS 51 90.207 5.409 10.454 406 HB3 LYS 51 HB1 LYS 51 91.113 6.726 9.714 407 HG2 LYS 51 HG2 LYS 51 89.443 7.676 11.195 408 HG3 LYS 51 HG1 LYS 51 88.976 8.028 9.532 409 HD2 LYS 51 HD2 LYS 51 87.352 6.244 9.526 410 HD3 LYS 51 HD1 LYS 51 87.925 5.648 11.082 411 HE2 LYS 51 HE2 LYS 51 85.949 6.891 11.564 412 HE3 LYS 51 HE1 LYS 51 87.282 7.944 12.029 413 HZ1 LYS 51 HZ1 LYS 51 85.500 8.124 9.700 414 HZ2 LYS 51 HZ2 LYS 51 87.074 8.761 9.594 415 HZ3 LYS 51 HZ3 LYS 51 85.994 9.342 10.773 416 H VAL 52 HN VAL 52 90.936 6.661 6.294 417 HA VAL 52 HA VAL 52 93.053 4.570 6.302 418 HB VAL 52 HB VAL 52 91.661 5.775 3.892 419 HG11 VAL 52 HG11 VAL 52 93.935 5.261 3.310 420 HG12 VAL 52 HG12 VAL 52 92.949 3.923 2.719 421 HG13 VAL 52 HG13 VAL 52 93.883 3.738 4.205 422 HG21 VAL 52 HG21 VAL 52 90.228 4.193 5.108 423 HG22 VAL 52 HG22 VAL 52 91.533 3.005 5.136 424 HG23 VAL 52 HG23 VAL 52 90.790 3.466 3.604 425 H ASN 53 HN ASN 53 95.079 5.254 6.170 426 HA ASN 53 HA ASN 53 95.701 7.914 5.085 427 HB2 ASN 53 HB2 ASN 53 95.350 8.206 7.553 428 HB3 ASN 53 HB1 ASN 53 96.637 7.031 7.830 429 HD21 ASN 53 HD21 ASN 53 97.199 9.474 8.880 430 HD22 ASN 53 HD22 ASN 53 98.291 10.337 7.909 431 H TRP 54 HN TRP 54 97.512 7.814 3.848 432 HA TRP 54 HA TRP 54 99.265 5.426 4.214 433 HB2 TRP 54 HB2 TRP 54 99.481 6.603 1.556 434 HB3 TRP 54 HB1 TRP 54 99.021 4.966 2.004 435 HD1 TRP 54 HD1 TRP 54 96.698 4.350 1.233 436 HE1 TRP 54 HE1 TRP 54 94.510 5.613 0.710 437 HE3 TRP 54 HE3 TRP 54 98.124 9.073 2.490 438 HZ2 TRP 54 HZ2 TRP 54 93.518 8.282 0.819 439 HZ3 TRP 54 HZ3 TRP 54 96.538 10.960 2.277 440 HH2 TRP 54 HH2 TRP 54 94.235 10.578 1.445 441 H TYR 55 HN TYR 55 101.441 5.678 4.113 442 HA TYR 55 HA TYR 55 102.498 8.453 3.980 443 HB2 TYR 55 HB2 TYR 55 103.518 6.168 5.710 444 HB3 TYR 55 HB1 TYR 55 104.146 7.815 5.662 445 HD1 TYR 55 HD1 TYR 55 102.552 9.741 6.276 446 HD2 TYR 55 HD2 TYR 55 101.711 5.615 7.131 447 HE1 TYR 55 HE1 TYR 55 100.879 10.422 7.971 448 HE2 TYR 55 HE2 TYR 55 100.038 6.308 8.822 449 HH TYR 55 HH TYR 55 99.563 9.716 9.653 450 H LEU 56 HN LEU 56 103.326 8.442 1.911 451 HA LEU 56 HA LEU 56 104.784 6.104 0.929 452 HB2 LEU 56 HB2 LEU 56 104.008 8.745 -0.307 453 HB3 LEU 56 HB1 LEU 56 105.065 7.590 -1.121 454 HG LEU 56 HG LEU 56 103.314 5.845 -0.864 455 HD11 LEU 56 HD11 LEU 56 101.884 8.143 0.469 456 HD12 LEU 56 HD12 LEU 56 102.002 6.458 0.977 457 HD13 LEU 56 HD13 LEU 56 100.957 6.897 -0.367 458 HD21 LEU 56 HD21 LEU 56 101.608 7.074 -2.436 459 HD22 LEU 56 HD22 LEU 56 103.263 6.825 -2.983 460 HD23 LEU 56 HD23 LEU 56 102.774 8.399 -2.361 461 H ASN 57 HN ASN 57 107.066 5.971 0.818 462 HA ASN 57 HA ASN 57 109.198 6.539 1.369 463 HB2 ASN 57 HB2 ASN 57 108.587 8.000 -0.662 464 HB3 ASN 57 HB1 ASN 57 108.432 9.322 0.494 465 HD21 ASN 57 HD21 ASN 57 110.398 10.074 1.567 466 HD22 ASN 57 HD22 ASN 57 111.936 9.642 0.991 467 H GLY 58 HN GLY 58 106.729 7.416 3.201 468 HA2 GLY 58 HA2 GLY 58 106.858 7.892 5.524 469 HA3 GLY 58 HA1 GLY 58 108.411 8.685 5.255 470 H GLN 59 HN GLN 59 105.939 9.325 3.010 471 HA GLN 59 HA GLN 59 105.334 11.970 4.201 472 HB2 GLN 59 HB2 GLN 59 105.793 11.236 1.292 473 HB3 GLN 59 HB1 GLN 59 105.257 12.818 1.864 474 HG2 GLN 59 HG2 GLN 59 107.829 11.465 2.726 475 HG3 GLN 59 HG1 GLN 59 107.731 12.706 1.476 476 HE21 GLN 59 HE21 GLN 59 108.644 12.444 4.591 477 HE22 GLN 59 HE22 GLN 59 108.142 13.952 5.189 478 H LEU 60 HN LEU 60 103.244 12.483 4.362 479 HA LEU 60 HA LEU 60 101.262 10.493 3.618 480 HB2 LEU 60 HB2 LEU 60 99.779 12.457 4.797 481 HB3 LEU 60 HB1 LEU 60 100.612 11.193 5.692 482 HG LEU 60 HG LEU 60 102.561 12.684 5.995 483 HD11 LEU 60 HD11 LEU 60 102.317 15.089 5.394 484 HD12 LEU 60 HD12 LEU 60 100.817 14.703 4.552 485 HD13 LEU 60 HD13 LEU 60 102.348 14.055 3.965 486 HD21 LEU 60 HD21 LEU 60 101.547 14.155 7.612 487 HD22 LEU 60 HD22 LEU 60 100.597 12.668 7.596 488 HD23 LEU 60 HD23 LEU 60 100.002 14.107 6.765 489 H ILE 61 HN ILE 61 99.386 10.837 2.442 490 HA ILE 61 HA ILE 61 98.164 11.463 0.690 491 HB ILE 61 HB ILE 61 97.461 13.328 1.983 492 HG12 ILE 61 HG12 ILE 61 96.808 14.867 0.193 493 HG13 ILE 61 HG11 ILE 61 98.079 14.232 -0.849 494 HG21 ILE 61 HG21 ILE 61 99.447 14.432 2.641 495 HG22 ILE 61 HG22 ILE 61 98.564 15.570 1.631 496 HG23 ILE 61 HG23 ILE 61 99.942 14.704 0.965 497 HD11 ILE 61 HD11 ILE 61 95.622 13.326 -1.111 498 HD12 ILE 61 HD12 ILE 61 96.013 12.351 0.307 499 HD13 ILE 61 HD13 ILE 61 96.966 12.186 -1.170 500 H ARG 62 HN ARG 62 98.470 10.964 -1.207 501 HA ARG 62 HA ARG 62 100.869 11.863 -2.708 502 HB2 ARG 62 HB2 ARG 62 100.737 9.453 -2.760 503 HB3 ARG 62 HB1 ARG 62 99.026 9.498 -3.178 504 HG2 ARG 62 HG2 ARG 62 99.510 10.438 -5.361 505 HG3 ARG 62 HG1 ARG 62 101.205 10.670 -4.941 506 HD2 ARG 62 HD2 ARG 62 99.883 7.954 -4.985 507 HD3 ARG 62 HD1 ARG 62 100.653 8.652 -6.407 508 HE ARG 62 HE ARG 62 101.982 7.485 -4.160 509 HH11 ARG 62 HH11 ARG 62 104.263 7.462 -4.285 510 HH12 ARG 62 HH12 ARG 62 105.073 8.602 -5.301 511 HH21 ARG 62 HH21 ARG 62 102.153 10.047 -6.476 512 HH22 ARG 62 HH22 ARG 62 103.885 10.059 -6.540 513 H LYS 63 HN LYS 63 100.513 12.538 -4.943 514 HA LYS 63 HA LYS 63 98.408 14.392 -5.161 515 HB2 LYS 63 HB2 LYS 63 100.266 13.229 -7.238 516 HB3 LYS 63 HB1 LYS 63 99.125 14.530 -7.581 517 HG2 LYS 63 HG2 LYS 63 101.091 14.718 -5.290 518 HG3 LYS 63 HG1 LYS 63 101.554 15.166 -6.928 519 HD2 LYS 63 HD2 LYS 63 100.368 17.121 -6.871 520 HD3 LYS 63 HD1 LYS 63 98.975 16.372 -6.107 521 HE2 LYS 63 HE2 LYS 63 99.894 18.010 -4.577 522 HE3 LYS 63 HE1 LYS 63 100.231 16.405 -3.930 523 HZ1 LYS 63 HZ1 LYS 63 102.326 17.083 -5.633 524 HZ2 LYS 63 HZ2 LYS 63 102.371 16.911 -3.944 525 HZ3 LYS 63 HZ3 LYS 63 102.050 18.427 -4.637 526 H SER 64 HN SER 64 96.514 14.387 -6.265 527 HA SER 64 HA SER 64 95.146 11.884 -6.459 528 HB2 SER 64 HB2 SER 64 94.031 13.912 -5.674 529 HB3 SER 64 HB1 SER 64 94.268 14.667 -7.246 530 HG SER 64 HG SER 64 92.229 13.765 -7.199 531 H LYS 65 HN LYS 65 93.540 13.131 -8.748 532 HA LYS 65 HA LYS 65 93.462 11.715 -10.797 533 HB2 LYS 65 HB2 LYS 65 94.287 14.597 -11.102 534 HB3 LYS 65 HB1 LYS 65 93.711 13.601 -12.435 535 HG2 LYS 65 HG2 LYS 65 91.612 13.163 -11.234 536 HG3 LYS 65 HG1 LYS 65 92.185 14.131 -9.877 537 HD2 LYS 65 HD2 LYS 65 92.307 16.122 -11.313 538 HD3 LYS 65 HD1 LYS 65 91.778 15.163 -12.700 539 HE2 LYS 65 HE2 LYS 65 90.170 15.497 -10.149 540 HE3 LYS 65 HE1 LYS 65 89.921 16.453 -11.607 541 HZ1 LYS 65 HZ1 LYS 65 89.639 13.517 -11.326 542 HZ2 LYS 65 HZ2 LYS 65 89.613 14.324 -12.824 543 HZ3 LYS 65 HZ3 LYS 65 88.411 14.639 -11.662 544 H ARG 66 HN ARG 66 96.627 13.423 -10.448 545 HA ARG 66 HA ARG 66 97.730 12.357 -12.812 546 HB2 ARG 66 HB2 ARG 66 98.783 14.188 -11.524 547 HB3 ARG 66 HB1 ARG 66 99.186 13.040 -10.246 548 HG2 ARG 66 HG2 ARG 66 100.592 11.765 -11.753 549 HG3 ARG 66 HG1 ARG 66 100.082 12.747 -13.124 550 HD2 ARG 66 HD2 ARG 66 101.473 13.904 -10.702 551 HD3 ARG 66 HD1 ARG 66 102.337 13.368 -12.141 552 HE ARG 66 HE ARG 66 100.340 15.099 -13.017 553 HH11 ARG 66 HH11 ARG 66 101.785 16.721 -14.094 554 HH12 ARG 66 HH12 ARG 66 102.703 17.724 -13.021 555 HH21 ARG 66 HH21 ARG 66 102.103 15.739 -10.238 556 HH22 ARG 66 HH22 ARG 66 102.884 17.167 -10.836 557 H PHE 67 HN PHE 67 97.320 11.030 -9.614 558 HA PHE 67 HA PHE 67 98.332 8.416 -10.548 559 HB2 PHE 67 HB2 PHE 67 98.497 9.612 -7.767 560 HB3 PHE 67 HB1 PHE 67 98.893 7.942 -8.166 561 HD1 PHE 67 HD1 PHE 67 99.866 11.455 -8.611 562 HD2 PHE 67 HD2 PHE 67 100.908 7.379 -9.415 563 HE1 PHE 67 HE1 PHE 67 102.139 12.176 -9.292 564 HE2 PHE 67 HE2 PHE 67 103.183 8.098 -10.112 565 HZ PHE 67 HZ PHE 67 103.795 10.499 -10.048 566 H ARG 68 HN ARG 68 97.086 6.626 -9.861 567 HA ARG 68 HA ARG 68 94.281 7.239 -9.624 568 HB2 ARG 68 HB2 ARG 68 95.303 5.314 -10.941 569 HB3 ARG 68 HB1 ARG 68 95.521 4.502 -9.389 570 HG2 ARG 68 HG2 ARG 68 93.113 4.672 -8.943 571 HG3 ARG 68 HG1 ARG 68 92.879 5.540 -10.457 572 HD2 ARG 68 HD2 ARG 68 92.296 3.205 -10.801 573 HD3 ARG 68 HD1 ARG 68 93.772 3.567 -11.688 574 HE ARG 68 HE ARG 68 94.965 2.188 -10.207 575 HH11 ARG 68 HH11 ARG 68 93.072 3.270 -7.855 576 HH12 ARG 68 HH12 ARG 68 92.502 1.749 -7.257 577 HH21 ARG 68 HH21 ARG 68 93.626 -0.064 -9.984 578 HH22 ARG 68 HH22 ARG 68 92.815 -0.137 -8.454 579 H VAL 69 HN VAL 69 93.271 7.698 -7.779 580 HA VAL 69 HA VAL 69 93.788 6.069 -5.408 581 HB VAL 69 HB VAL 69 94.221 7.840 -3.913 582 HG11 VAL 69 HG11 VAL 69 96.143 7.225 -5.393 583 HG12 VAL 69 HG12 VAL 69 96.232 8.879 -4.782 584 HG13 VAL 69 HG13 VAL 69 95.720 8.579 -6.441 585 HG21 VAL 69 HG21 VAL 69 94.231 10.261 -4.771 586 HG22 VAL 69 HG22 VAL 69 92.650 9.509 -4.561 587 HG23 VAL 69 HG23 VAL 69 93.351 9.655 -6.174 588 H ARG 70 HN ARG 70 91.940 5.527 -4.455 589 HA ARG 70 HA ARG 70 89.523 7.201 -4.882 590 HB2 ARG 70 HB2 ARG 70 89.657 4.169 -4.781 591 HB3 ARG 70 HB1 ARG 70 88.194 5.133 -4.962 592 HG2 ARG 70 HG2 ARG 70 90.504 5.234 -6.925 593 HG3 ARG 70 HG1 ARG 70 89.116 4.166 -7.124 594 HD2 ARG 70 HD2 ARG 70 87.650 6.245 -6.949 595 HD3 ARG 70 HD1 ARG 70 89.127 7.192 -7.096 596 HE ARG 70 HE ARG 70 88.022 5.406 -9.179 597 HH11 ARG 70 HH11 ARG 70 87.849 7.095 -10.933 598 HH12 ARG 70 HH12 ARG 70 89.337 7.892 -11.327 599 HH21 ARG 70 HH21 ARG 70 90.974 6.807 -8.470 600 HH22 ARG 70 HH22 ARG 70 91.104 7.729 -9.934 601 H TYR 71 HN TYR 71 89.457 8.174 -2.916 602 HA TYR 71 HA TYR 71 90.204 6.810 -0.520 603 HB2 TYR 71 HB2 TYR 71 90.194 9.361 -1.101 604 HB3 TYR 71 HB1 TYR 71 88.505 9.299 -0.605 605 HD1 TYR 71 HD1 TYR 71 91.811 9.856 0.537 606 HD2 TYR 71 HD2 TYR 71 88.090 8.015 1.706 607 HE1 TYR 71 HE1 TYR 71 92.474 9.994 2.923 608 HE2 TYR 71 HE2 TYR 71 88.770 8.158 4.082 609 HH TYR 71 HH TYR 71 91.612 9.932 5.080 610 H ASP 72 HN ASP 72 88.916 4.918 -0.496 611 HA ASP 72 HA ASP 72 86.435 5.147 0.892 612 HB2 ASP 72 HB2 ASP 72 86.428 4.331 -2.017 613 HB3 ASP 72 HB1 ASP 72 85.171 3.808 -0.900 614 H GLY 73 HN GLY 73 89.097 3.910 1.061 615 HA2 GLY 73 HA2 GLY 73 89.535 1.910 2.340 616 HA3 GLY 73 HA1 GLY 73 88.271 1.092 1.425 617 H ILE 74 HN ILE 74 89.482 2.657 -1.000 618 HA ILE 74 HA ILE 74 91.595 0.656 -1.591 619 HB ILE 74 HB ILE 74 89.762 2.139 -3.483 620 HG12 ILE 74 HG12 ILE 74 89.812 -0.812 -2.793 621 HG13 ILE 74 HG11 ILE 74 88.752 0.342 -1.975 622 HG21 ILE 74 HG21 ILE 74 90.733 0.300 -5.042 623 HG22 ILE 74 HG22 ILE 74 92.019 0.165 -3.844 624 HG23 ILE 74 HG23 ILE 74 91.747 1.696 -4.678 625 HD11 ILE 74 HD11 ILE 74 87.812 -0.934 -4.030 626 HD12 ILE 74 HD12 ILE 74 88.807 0.164 -4.987 627 HD13 ILE 74 HD13 ILE 74 87.539 0.804 -3.940 628 H HIS 75 HN HIS 75 93.594 1.351 -1.980 629 HA HIS 75 HA HIS 75 94.016 4.087 -3.026 630 HB2 HIS 75 HB2 HIS 75 96.100 3.925 -1.266 631 HB3 HIS 75 HB1 HIS 75 94.559 4.692 -0.883 632 HD1 HIS 75 HD1 HIS 75 92.679 2.679 -0.099 633 HD2 HIS 75 HD2 HIS 75 96.725 2.111 0.718 634 HE1 HIS 75 HE1 HIS 75 92.806 0.958 1.749 635 H TYR 76 HN TYR 76 94.945 3.723 -4.930 636 HA TYR 76 HA TYR 76 97.023 1.626 -5.178 637 HB2 TYR 76 HB2 TYR 76 95.126 2.980 -7.064 638 HB3 TYR 76 HB1 TYR 76 96.676 2.447 -7.716 639 HD1 TYR 76 HD1 TYR 76 94.388 0.965 -5.109 640 HD2 TYR 76 HD2 TYR 76 96.344 0.465 -8.902 641 HE1 TYR 76 HE1 TYR 76 93.552 -1.368 -5.236 642 HE2 TYR 76 HE2 TYR 76 95.502 -1.865 -9.028 643 HH TYR 76 HH TYR 76 93.199 -3.120 -6.693 644 H LEU 77 HN LEU 77 99.041 2.296 -4.903 645 HA LEU 77 HA LEU 77 99.774 5.098 -5.535 646 HB2 LEU 77 HB2 LEU 77 101.415 3.185 -3.880 647 HB3 LEU 77 HB1 LEU 77 101.461 4.946 -3.895 648 HG LEU 77 HG LEU 77 99.189 3.221 -2.857 649 HD11 LEU 77 HD11 LEU 77 99.812 4.522 -0.702 650 HD12 LEU 77 HD12 LEU 77 101.324 4.886 -1.536 651 HD13 LEU 77 HD13 LEU 77 100.882 3.210 -1.211 652 HD21 LEU 77 HD21 LEU 77 98.448 5.612 -2.012 653 HD22 LEU 77 HD22 LEU 77 98.070 5.117 -3.656 654 HD23 LEU 77 HD23 LEU 77 99.437 6.185 -3.357 655 H ASP 78 HN ASP 78 100.556 5.175 -7.604 656 HA ASP 78 HA ASP 78 102.429 3.014 -8.455 657 HB2 ASP 78 HB2 ASP 78 101.676 3.612 -10.785 658 HB3 ASP 78 HB1 ASP 78 100.452 2.852 -9.768 659 H ILE 79 HN ILE 79 104.179 3.505 -9.687 660 HA ILE 79 HA ILE 79 104.998 6.335 -9.913 661 HB ILE 79 HB ILE 79 107.384 5.377 -9.669 662 HG12 ILE 79 HG12 ILE 79 105.804 3.188 -8.302 663 HG13 ILE 79 HG11 ILE 79 106.646 3.002 -9.836 664 HG21 ILE 79 HG21 ILE 79 106.510 6.834 -7.985 665 HG22 ILE 79 HG22 ILE 79 107.156 5.437 -7.129 666 HG23 ILE 79 HG23 ILE 79 105.418 5.588 -7.380 667 HD11 ILE 79 HD11 ILE 79 108.562 2.548 -8.746 668 HD12 ILE 79 HD12 ILE 79 107.717 2.700 -7.207 669 HD13 ILE 79 HD13 ILE 79 108.501 4.107 -7.924 670 H VAL 80 HN VAL 80 106.740 6.591 -11.696 671 HA VAL 80 HA VAL 80 106.284 4.614 -13.849 672 HB VAL 80 HB VAL 80 106.258 6.730 -15.367 673 HG11 VAL 80 HG11 VAL 80 103.794 6.969 -15.031 674 HG12 VAL 80 HG12 VAL 80 103.933 6.025 -13.546 675 HG13 VAL 80 HG13 VAL 80 104.310 5.284 -15.105 676 HG21 VAL 80 HG21 VAL 80 105.500 8.761 -14.340 677 HG22 VAL 80 HG22 VAL 80 106.878 8.216 -13.384 678 HG23 VAL 80 HG23 VAL 80 105.234 7.955 -12.793 679 H ASP 81 HN ASP 81 107.805 5.023 -15.673 680 HA ASP 81 HA ASP 81 110.447 4.740 -14.849 681 HB2 ASP 81 HB2 ASP 81 109.593 3.958 -16.996 682 HB3 ASP 81 HB1 ASP 81 109.347 5.615 -17.531 683 H CYS 82 HN CYS 82 110.408 6.626 -13.317 684 HA CYS 82 HA CYS 82 112.260 8.475 -13.744 685 HB2 CYS 82 HB2 CYS 82 110.859 10.620 -14.229 686 HB3 CYS 82 HB1 CYS 82 111.347 9.607 -15.576 687 HG CYS 82 HG CYS 82 108.840 9.898 -15.947 688 H LYS 83 HN LYS 83 112.571 9.833 -11.989 689 HA LYS 83 HA LYS 83 112.322 10.622 -9.859 690 HB2 LYS 83 HB2 LYS 83 109.342 10.303 -10.340 691 HB3 LYS 83 HB1 LYS 83 110.102 11.233 -9.052 692 HG2 LYS 83 HG2 LYS 83 111.149 12.708 -10.689 693 HG3 LYS 83 HG1 LYS 83 110.480 11.751 -12.011 694 HD2 LYS 83 HD2 LYS 83 108.193 12.282 -11.238 695 HD3 LYS 83 HD1 LYS 83 108.865 13.267 -9.936 696 HE2 LYS 83 HE2 LYS 83 109.945 14.731 -11.595 697 HE3 LYS 83 HE1 LYS 83 109.315 13.729 -12.904 698 HZ1 LYS 83 HZ1 LYS 83 107.058 14.225 -11.720 699 HZ2 LYS 83 HZ2 LYS 83 107.732 15.351 -12.797 700 HZ3 LYS 83 HZ3 LYS 83 107.891 15.579 -11.122 701 H SER 84 HN SER 84 113.205 8.202 -9.725 702 HA SER 84 HA SER 84 111.514 6.821 -7.745 703 HB2 SER 84 HB2 SER 84 111.900 5.882 -10.286 704 HB3 SER 84 HB1 SER 84 113.204 5.084 -9.422 705 HG SER 84 HG SER 84 110.673 5.171 -8.243 706 H TYR 85 HN TYR 85 114.780 7.390 -9.013 707 HA TYR 85 HA TYR 85 116.300 5.964 -7.171 708 HB2 TYR 85 HB2 TYR 85 117.449 6.832 -9.010 709 HB3 TYR 85 HB1 TYR 85 116.810 8.449 -8.778 710 HD1 TYR 85 HD1 TYR 85 118.506 6.099 -6.371 711 HD2 TYR 85 HD2 TYR 85 118.647 9.855 -8.457 712 HE1 TYR 85 HE1 TYR 85 120.560 6.718 -5.121 713 HE2 TYR 85 HE2 TYR 85 120.695 10.474 -7.208 714 HH TYR 85 HH TYR 85 121.655 9.567 -4.677 715 H ASP 86 HN ASP 86 114.688 6.456 -5.244 716 HA ASP 86 HA ASP 86 116.090 8.308 -3.491 717 HB2 ASP 86 HB2 ASP 86 114.204 9.569 -4.686 718 HB3 ASP 86 HB1 ASP 86 113.091 8.508 -3.823 719 H THR 87 HN THR 87 116.588 6.869 -1.889 720 HA THR 87 HA THR 87 114.827 4.673 -1.279 721 HB THR 87 HB THR 87 116.518 3.963 0.270 722 HG1 THR 87 HG1 THR 87 117.829 6.432 -0.147 723 HG21 THR 87 HG21 THR 87 117.038 3.726 -2.142 724 HG22 THR 87 HG22 THR 87 118.494 3.937 -1.174 725 HG23 THR 87 HG23 THR 87 117.852 5.288 -2.105 726 H GLY 88 HN GLY 88 113.111 4.742 0.104 727 HA2 GLY 88 HA2 GLY 88 113.314 6.442 2.503 728 HA3 GLY 88 HA1 GLY 88 111.946 6.688 1.421 729 H GLU 89 HN GLU 89 110.439 6.038 3.039 730 HA GLU 89 HA GLU 89 110.231 3.114 3.301 731 HB2 GLU 89 HB2 GLU 89 109.805 3.245 5.710 732 HB3 GLU 89 HB1 GLU 89 111.423 3.829 5.325 733 HG2 GLU 89 HG2 GLU 89 110.577 6.161 5.376 734 HG3 GLU 89 HG1 GLU 89 108.982 5.557 5.829 735 H VAL 90 HN VAL 90 108.157 2.325 3.564 736 HA VAL 90 HA VAL 90 105.977 4.302 3.337 737 HB VAL 90 HB VAL 90 106.230 1.546 2.117 738 HG11 VAL 90 HG11 VAL 90 103.992 2.192 1.069 739 HG12 VAL 90 HG12 VAL 90 103.897 3.472 2.274 740 HG13 VAL 90 HG13 VAL 90 103.939 1.786 2.783 741 HG21 VAL 90 HG21 VAL 90 107.414 3.065 0.748 742 HG22 VAL 90 HG22 VAL 90 106.260 4.357 1.029 743 HG23 VAL 90 HG23 VAL 90 105.815 2.999 0.008 744 H LYS 91 HN LYS 91 104.124 3.934 4.516 745 HA LYS 91 HA LYS 91 103.953 1.584 6.261 746 HB2 LYS 91 HB2 LYS 91 105.163 3.226 7.610 747 HB3 LYS 91 HB1 LYS 91 103.944 4.451 7.254 748 HG2 LYS 91 HG2 LYS 91 102.242 3.117 8.424 749 HG3 LYS 91 HG1 LYS 91 103.427 1.855 8.738 750 HD2 LYS 91 HD2 LYS 91 104.786 3.457 10.042 751 HD3 LYS 91 HD1 LYS 91 103.585 4.711 9.740 752 HE2 LYS 91 HE2 LYS 91 101.873 3.381 10.897 753 HE3 LYS 91 HE1 LYS 91 103.049 2.098 11.179 754 HZ1 LYS 91 HZ1 LYS 91 104.125 3.299 12.757 755 HZ2 LYS 91 HZ2 LYS 91 102.574 3.957 12.959 756 HZ3 LYS 91 HZ3 LYS 91 103.742 4.798 12.060 757 H VAL 92 HN VAL 92 101.893 0.843 6.264 758 HA VAL 92 HA VAL 92 99.735 2.686 5.385 759 HB VAL 92 HB VAL 92 100.017 -0.315 5.065 760 HG11 VAL 92 HG11 VAL 92 97.704 1.558 4.522 761 HG12 VAL 92 HG12 VAL 92 97.704 0.110 5.528 762 HG13 VAL 92 HG13 VAL 92 97.835 -0.037 3.777 763 HG21 VAL 92 HG21 VAL 92 101.248 1.293 3.483 764 HG22 VAL 92 HG22 VAL 92 99.652 1.789 2.924 765 HG23 VAL 92 HG23 VAL 92 100.175 0.116 2.733 766 H THR 93 HN THR 93 98.033 2.952 6.720 767 HA THR 93 HA THR 93 97.575 1.052 8.907 768 HB THR 93 HB THR 93 99.198 2.831 9.699 769 HG1 THR 93 HG1 THR 93 97.435 1.664 10.932 770 HG21 THR 93 HG21 THR 93 98.456 5.066 9.988 771 HG22 THR 93 HG22 THR 93 96.784 4.642 9.635 772 HG23 THR 93 HG23 THR 93 97.983 4.646 8.340 773 H ALA 94 HN ALA 94 95.496 1.293 9.912 774 HA ALA 94 HA ALA 94 93.621 3.213 8.789 775 HB1 ALA 94 HB1 ALA 94 92.148 1.677 7.779 776 HB2 ALA 94 HB2 ALA 94 92.895 0.293 8.573 777 HB3 ALA 94 HB3 ALA 94 93.731 1.104 7.252 778 H GLU 95 HN GLU 95 91.793 3.438 10.169 779 HA GLU 95 HA GLU 95 91.850 1.789 12.633 780 HB2 GLU 95 HB2 GLU 95 91.897 4.785 12.387 781 HB3 GLU 95 HB1 GLU 95 91.399 3.963 13.869 782 HG2 GLU 95 HG2 GLU 95 93.559 2.832 13.980 783 HG3 GLU 95 HG1 GLU 95 94.054 3.573 12.459 784 H ASN 96 HN ASN 96 89.982 0.752 12.566 785 HA ASN 96 HA ASN 96 87.562 2.020 11.604 786 HB2 ASN 96 HB2 ASN 96 87.725 -0.662 12.971 787 HB3 ASN 96 HB1 ASN 96 86.608 -0.133 11.714 788 HD21 ASN 96 HD21 ASN 96 89.786 -1.487 12.304 789 HD22 ASN 96 HD22 ASN 96 90.223 -1.661 10.672 790 HA PRO 97 HA PRO 97 86.154 3.232 15.583 791 HB2 PRO 97 HB2 PRO 97 83.499 2.048 15.581 792 HB3 PRO 97 HB1 PRO 97 83.956 3.722 15.223 793 HG2 PRO 97 HG2 PRO 97 82.985 1.892 13.371 794 HG3 PRO 97 HG1 PRO 97 83.864 3.381 12.982 795 HD2 PRO 97 HD2 PRO 97 84.850 0.562 13.007 796 HD3 PRO 97 HD1 PRO 97 85.361 1.932 11.999 797 H GLU 98 HN GLU 98 86.092 -0.163 14.952 798 HA GLU 98 HA GLU 98 85.799 -0.790 17.830 799 HB2 GLU 98 HB2 GLU 98 85.607 -2.555 15.383 800 HB3 GLU 98 HB1 GLU 98 85.444 -3.109 17.049 801 HG2 GLU 98 HG2 GLU 98 83.507 -1.647 17.379 802 HG3 GLU 98 HG1 GLU 98 83.688 -1.009 15.743 803 H GLY 99 HN GLY 99 88.325 -0.240 15.676 804 HA2 GLY 99 HA2 GLY 99 90.211 -1.477 17.419 805 HA3 GLY 99 HA1 GLY 99 90.015 -2.408 15.938 806 H VAL 100 HN VAL 100 92.410 -1.608 16.329 807 HA VAL 100 HA VAL 100 92.901 0.543 14.375 808 HB VAL 100 HB VAL 100 93.229 1.720 16.413 809 HG11 VAL 100 HG11 VAL 100 93.102 -0.105 17.983 810 HG12 VAL 100 HG12 VAL 100 94.636 0.719 18.263 811 HG13 VAL 100 HG13 VAL 100 94.604 -0.805 17.377 812 HG21 VAL 100 HG21 VAL 100 95.465 2.379 16.237 813 HG22 VAL 100 HG22 VAL 100 95.289 1.516 14.710 814 HG23 VAL 100 HG23 VAL 100 96.055 0.722 16.080 815 H ILE 101 HN ILE 101 94.512 0.050 12.946 816 HA ILE 101 HA ILE 101 96.372 -2.143 13.586 817 HB ILE 101 HB ILE 101 94.962 -1.965 10.914 818 HG12 ILE 101 HG12 ILE 101 94.481 -3.985 13.135 819 HG13 ILE 101 HG11 ILE 101 93.408 -2.626 12.801 820 HG21 ILE 101 HG21 ILE 101 96.899 -3.904 12.216 821 HG22 ILE 101 HG22 ILE 101 97.112 -3.007 10.715 822 HG23 ILE 101 HG23 ILE 101 95.955 -4.334 10.796 823 HD11 ILE 101 HD11 ILE 101 92.896 -4.957 11.702 824 HD12 ILE 101 HD12 ILE 101 94.163 -4.511 10.563 825 HD13 ILE 101 HD13 ILE 101 92.733 -3.496 10.730 826 H GLU 102 HN GLU 102 98.311 -2.123 12.436 827 HA GLU 102 HA GLU 102 98.905 -0.043 10.525 828 HB2 GLU 102 HB2 GLU 102 100.718 0.975 11.880 829 HB3 GLU 102 HB1 GLU 102 99.125 1.259 12.581 830 HG2 GLU 102 HG2 GLU 102 99.522 -0.794 14.024 831 HG3 GLU 102 HG1 GLU 102 101.187 -0.776 13.452 832 H HIS 103 HN HIS 103 100.794 -0.463 9.389 833 HA HIS 103 HA HIS 103 102.453 -2.762 10.198 834 HB2 HIS 103 HB2 HIS 103 100.861 -2.461 7.659 835 HB3 HIS 103 HB1 HIS 103 102.382 -3.349 7.634 836 HD1 HIS 103 HD1 HIS 103 98.891 -3.885 8.124 837 HD2 HIS 103 HD2 HIS 103 102.331 -5.461 9.861 838 HE1 HIS 103 HE1 HIS 103 98.218 -6.093 9.144 839 H LYS 104 HN LYS 104 104.557 -2.378 9.889 840 HA LYS 104 HA LYS 104 105.343 0.043 8.368 841 HB2 LYS 104 HB2 LYS 104 105.942 0.056 10.736 842 HB3 LYS 104 HB1 LYS 104 106.758 -1.492 10.564 843 HG2 LYS 104 HG2 LYS 104 108.357 -0.486 8.984 844 HG3 LYS 104 HG1 LYS 104 107.529 1.064 9.130 845 HD2 LYS 104 HD2 LYS 104 108.037 1.113 11.540 846 HD3 LYS 104 HD1 LYS 104 108.847 -0.447 11.404 847 HE2 LYS 104 HE2 LYS 104 110.616 1.108 11.282 848 HE3 LYS 104 HE1 LYS 104 110.307 0.708 9.592 849 HZ1 LYS 104 HZ1 LYS 104 110.267 2.959 9.480 850 HZ2 LYS 104 HZ2 LYS 104 109.706 3.158 11.069 851 HZ3 LYS 104 HZ3 LYS 104 108.634 2.695 9.837 852 H VAL 105 HN VAL 105 106.471 -0.193 6.542 853 HA VAL 105 HA VAL 105 107.982 -2.695 6.059 854 HB VAL 105 HB VAL 105 107.211 -2.721 3.726 855 HG11 VAL 105 HG11 VAL 105 105.032 -3.603 4.117 856 HG12 VAL 105 HG12 VAL 105 104.782 -2.561 5.519 857 HG13 VAL 105 HG13 VAL 105 105.934 -3.898 5.604 858 HG21 VAL 105 HG21 VAL 105 105.340 -0.479 4.560 859 HG22 VAL 105 HG22 VAL 105 105.388 -1.265 2.983 860 HG23 VAL 105 HG23 VAL 105 106.748 -0.279 3.514 861 H LYS 106 HN LYS 106 109.728 -2.422 4.485 862 HA LYS 106 HA LYS 106 110.655 0.398 4.302 863 HB2 LYS 106 HB2 LYS 106 112.241 -2.161 4.583 864 HB3 LYS 106 HB1 LYS 106 112.955 -0.588 4.226 865 HG2 LYS 106 HG2 LYS 106 112.093 0.331 6.311 866 HG3 LYS 106 HG1 LYS 106 111.229 -1.165 6.652 867 HD2 LYS 106 HD2 LYS 106 113.173 -1.388 7.952 868 HD3 LYS 106 HD1 LYS 106 113.580 -2.287 6.495 869 HE2 LYS 106 HE2 LYS 106 114.830 -0.393 5.612 870 HE3 LYS 106 HE1 LYS 106 114.315 0.613 6.965 871 HZ1 LYS 106 HZ1 LYS 106 116.329 -1.477 6.870 872 HZ2 LYS 106 HZ2 LYS 106 115.365 -1.443 8.269 873 HZ3 LYS 106 HZ3 LYS 106 116.264 -0.075 7.821 874 H LEU 107 HN LEU 107 110.774 1.218 2.358 875 HA LEU 107 HA LEU 107 111.180 -0.589 0.029 876 HB2 LEU 107 HB2 LEU 107 109.358 1.802 0.383 877 HB3 LEU 107 HB1 LEU 107 109.900 1.290 -1.213 878 HG LEU 107 HG LEU 107 109.009 -1.020 -0.683 879 HD11 LEU 107 HD11 LEU 107 107.047 -0.641 1.181 880 HD12 LEU 107 HD12 LEU 107 108.319 0.376 1.855 881 HD13 LEU 107 HD13 LEU 107 108.624 -1.330 1.546 882 HD21 LEU 107 HD21 LEU 107 107.694 0.280 -2.145 883 HD22 LEU 107 HD22 LEU 107 107.255 1.428 -0.885 884 HD23 LEU 107 HD23 LEU 107 106.550 -0.188 -0.888 885 H GLU 108 HN GLU 108 113.109 -0.175 -0.925 886 HA GLU 108 HA GLU 108 114.107 2.611 -0.836 887 HB2 GLU 108 HB2 GLU 108 116.432 1.585 -0.801 888 HB3 GLU 108 HB1 GLU 108 115.510 1.484 0.697 889 HG2 GLU 108 HG2 GLU 108 114.822 -0.805 0.126 890 HG3 GLU 108 HG1 GLU 108 115.755 -0.707 -1.372 891 H ILE 109 HN ILE 109 114.497 3.478 -2.741 892 HA ILE 109 HA ILE 109 114.553 1.699 -5.102 893 HB ILE 109 HB ILE 109 114.187 4.687 -4.948 894 HG12 ILE 109 HG12 ILE 109 112.087 2.510 -5.203 895 HG13 ILE 109 HG11 ILE 109 112.374 3.472 -3.765 896 HG21 ILE 109 HG21 ILE 109 113.141 4.153 -7.280 897 HG22 ILE 109 HG22 ILE 109 113.989 2.619 -7.145 898 HG23 ILE 109 HG23 ILE 109 114.893 4.127 -7.136 899 HD11 ILE 109 HD11 ILE 109 111.586 4.602 -6.467 900 HD12 ILE 109 HD12 ILE 109 111.786 5.516 -4.971 901 HD13 ILE 109 HD13 ILE 109 110.476 4.344 -5.119 902 H GLN 110 HN GLN 110 116.578 1.180 -5.724 903 HA GLN 110 HA GLN 110 118.805 2.993 -5.177 904 HB2 GLN 110 HB2 GLN 110 118.689 0.235 -6.424 905 HB3 GLN 110 HB1 GLN 110 120.174 1.130 -6.105 906 HG2 GLN 110 HG2 GLN 110 119.624 1.221 -3.707 907 HG3 GLN 110 HG1 GLN 110 118.131 0.337 -4.018 908 HE21 GLN 110 HE21 GLN 110 119.417 -1.131 -2.339 909 HE22 GLN 110 HE22 GLN 110 120.392 -2.336 -3.034 910 H GLN 111 HN GLN 111 119.884 1.510 -7.818 911 HA GLN 111 HA GLN 111 118.671 3.241 -9.846 912 HB2 GLN 111 HB2 GLN 111 121.604 3.375 -9.096 913 HB3 GLN 111 HB1 GLN 111 120.930 4.033 -10.584 914 HG2 GLN 111 HG2 GLN 111 119.425 5.484 -9.243 915 HG3 GLN 111 HG1 GLN 111 120.163 4.848 -7.768 916 HE21 GLN 111 HE21 GLN 111 120.545 7.476 -7.844 917 HE22 GLN 111 HE22 GLN 111 122.079 7.910 -8.422 918 H LEU 112 HN LEU 112 119.210 2.608 -12.003 919 HA LEU 112 HA LEU 112 119.720 -0.237 -12.260 920 HB2 LEU 112 HB2 LEU 112 117.997 0.736 -13.653 921 HB3 LEU 112 HB1 LEU 112 119.126 1.928 -14.296 922 HG LEU 112 HG LEU 112 120.423 0.169 -15.396 923 HD11 LEU 112 HD11 LEU 112 119.326 -2.194 -15.356 924 HD12 LEU 112 HD12 LEU 112 118.540 -1.637 -13.878 925 HD13 LEU 112 HD13 LEU 112 120.302 -1.708 -13.970 926 HD21 LEU 112 HD21 LEU 112 118.328 1.120 -16.467 927 HD22 LEU 112 HD22 LEU 112 117.479 -0.326 -15.924 928 HD23 LEU 112 HD23 LEU 112 118.812 -0.465 -17.069 929 H GLU 113 HN GLU 113 121.819 -0.707 -11.847 930 HA GLU 113 HA GLU 113 123.880 0.605 -13.541 931 HB2 GLU 113 HB2 GLU 113 124.038 1.074 -11.067 932 HB3 GLU 113 HB1 GLU 113 124.294 -0.651 -10.821 933 HG2 GLU 113 HG2 GLU 113 126.462 0.377 -10.915 934 HG3 GLU 113 HG1 GLU 113 126.243 -0.500 -12.428 935 H HIS 114 HN HIS 114 124.850 -0.708 -14.939 936 HA HIS 114 HA HIS 114 124.250 -3.505 -15.049 937 HB2 HIS 114 HB2 HIS 114 126.249 -1.788 -16.536 938 HB3 HIS 114 HB1 HIS 114 125.978 -3.489 -16.889 939 HD1 HIS 114 HD1 HIS 114 125.295 -2.056 -19.249 940 HD2 HIS 114 HD2 HIS 114 122.565 -2.125 -16.096 941 HE1 HIS 114 HE1 HIS 114 123.045 -1.441 -20.235 942 H HIS 115 HN HIS 115 125.479 -2.637 -12.555 943 HA HIS 115 HA HIS 115 128.203 -3.212 -12.343 944 HB2 HIS 115 HB2 HIS 115 126.899 -2.143 -10.555 945 HB3 HIS 115 HB1 HIS 115 126.005 -3.645 -10.305 946 HD1 HIS 115 HD1 HIS 115 126.865 -4.349 -8.037 947 HD2 HIS 115 HD2 HIS 115 129.959 -3.421 -10.674 948 HE1 HIS 115 HE1 HIS 115 129.015 -5.034 -6.888 949 H HIS 116 HN HIS 116 125.383 -5.368 -12.058 950 HA HIS 116 HA HIS 116 127.234 -7.697 -12.108 951 HB2 HIS 116 HB2 HIS 116 125.739 -7.343 -10.069 952 HB3 HIS 116 HB1 HIS 116 124.380 -7.725 -11.122 953 HD1 HIS 116 HD1 HIS 116 124.167 -10.158 -11.979 954 HD2 HIS 116 HD2 HIS 116 127.468 -9.549 -9.506 955 HE1 HIS 116 HE1 HIS 116 125.069 -12.457 -11.406 956 H HIS 117 HN HIS 117 126.141 -6.181 -14.429 957 HA HIS 117 HA HIS 117 124.060 -7.647 -15.672 958 HB2 HIS 117 HB2 HIS 117 124.782 -5.376 -16.353 959 HB3 HIS 117 HB1 HIS 117 126.276 -6.066 -16.988 960 HD1 HIS 117 HD1 HIS 117 126.150 -7.310 -19.229 961 HD2 HIS 117 HD2 HIS 117 122.416 -6.106 -17.821 962 HE1 HIS 117 HE1 HIS 117 124.514 -7.690 -21.125 963 H HIS 118 HN HIS 118 127.591 -7.889 -15.862 964 HA HIS 118 HA HIS 118 127.314 -10.535 -17.192 965 HB2 HIS 118 HB2 HIS 118 128.254 -8.738 -18.660 966 HB3 HIS 118 HB1 HIS 118 129.575 -8.541 -17.512 967 HD1 HIS 118 HD1 HIS 118 127.970 -11.434 -19.428 968 HD2 HIS 118 HD2 HIS 118 131.719 -10.126 -18.159 969 HE1 HIS 118 HE1 HIS 118 129.652 -13.113 -20.309 970 H HIS 119 HN HIS 119 128.260 -12.215 -16.154 971 HA HIS 119 HA HIS 119 129.127 -12.138 -13.548 972 HB2 HIS 119 HB2 HIS 119 130.207 -14.038 -15.651 973 HB3 HIS 119 HB1 HIS 119 130.164 -14.305 -13.908 974 HD1 HIS 119 HD1 HIS 119 127.998 -14.318 -16.954 975 HD2 HIS 119 HD2 HIS 119 127.559 -14.891 -12.846 976 HE1 HIS 119 HE1 HIS 119 125.702 -15.337 -16.612 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 76.352 -8.804 -15.882 2 H2 ARG 1 HT2 ARG 1 77.277 -7.462 -15.409 3 H3 ARG 1 HT3 ARG 1 77.801 -9.034 -15.026 4 HA ARG 1 HA ARG 1 77.672 -9.308 -17.637 5 HB2 ARG 1 HB2 ARG 1 78.448 -6.411 -17.249 6 HB3 ARG 1 HB1 ARG 1 78.299 -7.279 -18.775 7 HG2 ARG 1 HG2 ARG 1 75.987 -6.794 -16.871 8 HG3 ARG 1 HG1 ARG 1 76.346 -5.772 -18.262 9 HD2 ARG 1 HD2 ARG 1 76.176 -7.850 -19.704 10 HD3 ARG 1 HD1 ARG 1 75.574 -8.707 -18.287 11 HE ARG 1 HE ARG 1 74.189 -6.505 -19.693 12 HH11 ARG 1 HH11 ARG 1 71.966 -7.156 -19.864 13 HH12 ARG 1 HH12 ARG 1 71.249 -7.962 -18.510 14 HH21 ARG 1 HH21 ARG 1 74.247 -8.337 -16.806 15 HH22 ARG 1 HH22 ARG 1 72.541 -8.624 -16.774 16 H MET 2 HN MET 2 79.695 -9.794 -18.468 17 HA MET 2 HA MET 2 81.926 -9.671 -16.536 18 HB2 MET 2 HB2 MET 2 82.857 -11.306 -18.491 19 HB3 MET 2 HB1 MET 2 81.865 -11.890 -17.155 20 HG2 MET 2 HG2 MET 2 79.852 -11.712 -18.514 21 HG3 MET 2 HG1 MET 2 80.770 -10.998 -19.842 22 HE1 MET 2 HE1 MET 2 78.870 -13.567 -20.083 23 HE2 MET 2 HE2 MET 2 79.846 -14.454 -21.252 24 HE3 MET 2 HE3 MET 2 79.710 -12.701 -21.375 25 H ALA 3 HN ALA 3 83.406 -8.147 -16.818 26 HA ALA 3 HA ALA 3 84.397 -7.481 -19.463 27 HB1 ALA 3 HB1 ALA 3 82.379 -6.047 -19.247 28 HB2 ALA 3 HB2 ALA 3 83.870 -5.111 -19.345 29 HB3 ALA 3 HB3 ALA 3 83.072 -5.334 -17.788 30 H HIS 4 HN HIS 4 84.560 -7.392 -16.023 31 HA HIS 4 HA HIS 4 86.817 -5.689 -15.722 32 HB2 HIS 4 HB2 HIS 4 85.741 -7.918 -13.981 33 HB3 HIS 4 HB1 HIS 4 87.006 -6.787 -13.494 34 HD1 HIS 4 HD1 HIS 4 86.258 -4.150 -13.721 35 HD2 HIS 4 HD2 HIS 4 83.190 -6.955 -13.448 36 HE1 HIS 4 HE1 HIS 4 84.179 -2.875 -13.041 37 H GLU 5 HN GLU 5 86.505 -9.241 -15.845 38 HA GLU 5 HA GLU 5 88.973 -9.601 -17.227 39 HB2 GLU 5 HB2 GLU 5 90.153 -10.814 -15.377 40 HB3 GLU 5 HB1 GLU 5 90.030 -9.072 -15.121 41 HG2 GLU 5 HG2 GLU 5 88.092 -9.398 -13.663 42 HG3 GLU 5 HG1 GLU 5 88.131 -11.132 -13.965 43 H GLY 6 HN GLY 6 89.670 -12.011 -16.968 44 HA2 GLY 6 HA2 GLY 6 87.348 -13.626 -17.608 45 HA3 GLY 6 HA1 GLY 6 89.037 -14.124 -17.688 46 H ALA 7 HN ALA 7 87.517 -12.655 -14.858 47 HA ALA 7 HA ALA 7 88.518 -14.610 -13.086 48 HB1 ALA 7 HB1 ALA 7 86.361 -12.516 -12.795 49 HB2 ALA 7 HB2 ALA 7 87.980 -12.526 -12.104 50 HB3 ALA 7 HB3 ALA 7 86.758 -13.625 -11.482 51 H LEU 8 HN LEU 8 87.479 -16.291 -11.964 52 HA LEU 8 HA LEU 8 85.481 -17.694 -13.524 53 HB2 LEU 8 HB2 LEU 8 87.017 -18.321 -11.007 54 HB3 LEU 8 HB1 LEU 8 85.675 -19.335 -11.530 55 HG LEU 8 HG LEU 8 86.812 -19.697 -13.708 56 HD11 LEU 8 HD11 LEU 8 88.132 -17.677 -13.922 57 HD12 LEU 8 HD12 LEU 8 89.248 -19.037 -13.821 58 HD13 LEU 8 HD13 LEU 8 88.978 -18.013 -12.408 59 HD21 LEU 8 HD21 LEU 8 88.520 -20.258 -11.266 60 HD22 LEU 8 HD22 LEU 8 88.620 -21.120 -12.801 61 HD23 LEU 8 HD23 LEU 8 87.162 -21.241 -11.812 62 H THR 9 HN THR 9 83.370 -17.632 -13.217 63 HA THR 9 HA THR 9 82.193 -16.046 -11.091 64 HB THR 9 HB THR 9 81.171 -17.472 -13.550 65 HG1 THR 9 HG1 THR 9 80.964 -14.781 -12.694 66 HG21 THR 9 HG21 THR 9 79.390 -17.880 -12.034 67 HG22 THR 9 HG22 THR 9 78.919 -16.429 -12.917 68 HG23 THR 9 HG23 THR 9 79.563 -16.296 -11.280 69 H GLY 10 HN GLY 10 80.634 -16.865 -9.572 70 HA2 GLY 10 HA2 GLY 10 79.492 -18.514 -8.366 71 HA3 GLY 10 HA1 GLY 10 80.239 -19.747 -9.378 72 H VAL 11 HN VAL 11 81.655 -17.159 -7.385 73 HA VAL 11 HA VAL 11 83.201 -19.232 -5.920 74 HB VAL 11 HB VAL 11 84.003 -16.398 -6.610 75 HG11 VAL 11 HG11 VAL 11 84.901 -17.076 -4.440 76 HG12 VAL 11 HG12 VAL 11 86.189 -17.131 -5.637 77 HG13 VAL 11 HG13 VAL 11 85.413 -18.622 -5.111 78 HG21 VAL 11 HG21 VAL 11 85.324 -18.964 -7.520 79 HG22 VAL 11 HG22 VAL 11 85.494 -17.346 -8.193 80 HG23 VAL 11 HG23 VAL 11 84.002 -18.248 -8.441 81 H THR 12 HN THR 12 82.667 -19.445 -3.891 82 HA THR 12 HA THR 12 80.970 -17.627 -2.484 83 HB THR 12 HB THR 12 82.624 -19.906 -1.390 84 HG1 THR 12 HG1 THR 12 81.164 -21.216 -2.213 85 HG21 THR 12 HG21 THR 12 81.662 -18.680 0.403 86 HG22 THR 12 HG22 THR 12 80.568 -20.037 0.137 87 HG23 THR 12 HG23 THR 12 80.152 -18.437 -0.470 88 H THR 13 HN THR 13 82.596 -15.766 -2.989 89 HA THR 13 HA THR 13 84.771 -15.608 -1.007 90 HB THR 13 HB THR 13 85.378 -15.015 -3.269 91 HG1 THR 13 HG1 THR 13 86.534 -13.591 -2.296 92 HG21 THR 13 HG21 THR 13 83.767 -12.561 -3.471 93 HG22 THR 13 HG22 THR 13 82.778 -14.018 -3.514 94 HG23 THR 13 HG23 THR 13 84.066 -13.793 -4.696 95 H ASP 14 HN ASP 14 83.949 -15.073 0.928 96 HA ASP 14 HA ASP 14 82.753 -13.918 2.548 97 HB2 ASP 14 HB2 ASP 14 84.767 -12.518 2.065 98 HB3 ASP 14 HB1 ASP 14 83.778 -11.573 0.952 99 H GLN 15 HN GLN 15 80.594 -14.541 1.835 100 HA GLN 15 HA GLN 15 79.093 -13.117 -0.071 101 HB2 GLN 15 HB2 GLN 15 78.186 -14.613 2.400 102 HB3 GLN 15 HB1 GLN 15 77.111 -14.029 1.130 103 HG2 GLN 15 HG2 GLN 15 78.379 -15.384 -0.522 104 HG3 GLN 15 HG1 GLN 15 79.374 -16.010 0.791 105 HE21 GLN 15 HE21 GLN 15 78.646 -18.167 1.038 106 HE22 GLN 15 HE22 GLN 15 77.017 -18.593 1.256 107 H LYS 16 HN LYS 16 77.792 -13.046 3.141 108 HA LYS 16 HA LYS 16 77.898 -10.085 3.195 109 HB2 LYS 16 HB2 LYS 16 75.610 -11.916 3.976 110 HB3 LYS 16 HB1 LYS 16 75.648 -10.176 4.256 111 HG2 LYS 16 HG2 LYS 16 75.946 -9.847 1.786 112 HG3 LYS 16 HG1 LYS 16 75.741 -11.588 1.575 113 HD2 LYS 16 HD2 LYS 16 73.501 -11.464 2.587 114 HD3 LYS 16 HD1 LYS 16 73.706 -9.728 2.837 115 HE2 LYS 16 HE2 LYS 16 73.770 -11.109 0.138 116 HE3 LYS 16 HE1 LYS 16 72.401 -10.199 0.783 117 HZ1 LYS 16 HZ1 LYS 16 73.906 -8.273 0.996 118 HZ2 LYS 16 HZ2 LYS 16 73.682 -8.769 -0.615 119 HZ3 LYS 16 HZ3 LYS 16 75.116 -9.155 0.209 120 H GLU 17 HN GLU 17 79.107 -12.750 4.543 121 HA GLU 17 HA GLU 17 78.636 -12.493 7.325 122 HB2 GLU 17 HB2 GLU 17 79.601 -14.517 6.255 123 HB3 GLU 17 HB1 GLU 17 81.072 -13.612 5.894 124 HG2 GLU 17 HG2 GLU 17 81.464 -14.891 7.901 125 HG3 GLU 17 HG1 GLU 17 81.337 -13.201 8.368 126 H LYS 18 HN LYS 18 79.544 -11.211 8.849 127 HA LYS 18 HA LYS 18 80.690 -8.771 8.156 128 HB2 LYS 18 HB2 LYS 18 79.549 -9.379 10.337 129 HB3 LYS 18 HB1 LYS 18 81.079 -10.106 10.836 130 HG2 LYS 18 HG2 LYS 18 82.238 -7.979 10.532 131 HG3 LYS 18 HG1 LYS 18 80.765 -7.232 9.914 132 HD2 LYS 18 HD2 LYS 18 79.650 -7.681 12.087 133 HD3 LYS 18 HD1 LYS 18 81.162 -8.345 12.705 134 HE2 LYS 18 HE2 LYS 18 80.942 -5.533 11.597 135 HE3 LYS 18 HE1 LYS 18 80.718 -5.910 13.305 136 HZ1 LYS 18 HZ1 LYS 18 82.919 -5.592 13.380 137 HZ2 LYS 18 HZ2 LYS 18 83.143 -5.869 11.720 138 HZ3 LYS 18 HZ3 LYS 18 83.006 -7.179 12.790 139 H GLN 19 HN GLN 19 82.624 -8.110 7.647 140 HA GLN 19 HA GLN 19 84.843 -9.971 7.550 141 HB2 GLN 19 HB2 GLN 19 84.680 -7.041 6.805 142 HB3 GLN 19 HB1 GLN 19 86.061 -8.090 6.487 143 HG2 GLN 19 HG2 GLN 19 84.654 -9.552 5.121 144 HG3 GLN 19 HG1 GLN 19 83.243 -8.554 5.486 145 HE21 GLN 19 HE21 GLN 19 85.662 -9.032 3.178 146 HE22 GLN 19 HE22 GLN 19 85.567 -7.522 2.409 147 H LYS 20 HN LYS 20 86.678 -9.980 8.749 148 HA LYS 20 HA LYS 20 86.606 -8.558 11.285 149 HB2 LYS 20 HB2 LYS 20 87.278 -10.997 11.006 150 HB3 LYS 20 HB1 LYS 20 88.764 -10.417 10.263 151 HG2 LYS 20 HG2 LYS 20 89.327 -9.165 12.303 152 HG3 LYS 20 HG1 LYS 20 87.813 -9.690 13.053 153 HD2 LYS 20 HD2 LYS 20 88.553 -12.061 12.776 154 HD3 LYS 20 HD1 LYS 20 90.098 -11.471 12.162 155 HE2 LYS 20 HE2 LYS 20 90.176 -12.038 14.597 156 HE3 LYS 20 HE1 LYS 20 90.551 -10.345 14.281 157 HZ1 LYS 20 HZ1 LYS 20 88.260 -9.777 14.809 158 HZ2 LYS 20 HZ2 LYS 20 89.005 -10.573 16.114 159 HZ3 LYS 20 HZ3 LYS 20 87.909 -11.409 15.120 160 HA PRO 21 HA PRO 21 89.155 -5.250 9.674 161 HB2 PRO 21 HB2 PRO 21 90.476 -4.760 12.214 162 HB3 PRO 21 HB1 PRO 21 89.226 -3.793 11.423 163 HG2 PRO 21 HG2 PRO 21 88.954 -5.498 13.703 164 HG3 PRO 21 HG1 PRO 21 87.705 -4.526 12.915 165 HD2 PRO 21 HD2 PRO 21 87.963 -7.385 12.879 166 HD3 PRO 21 HD1 PRO 21 86.760 -6.396 12.033 167 H ASP 22 HN ASP 22 91.188 -5.077 8.833 168 HA ASP 22 HA ASP 22 93.620 -5.878 9.676 169 HB2 ASP 22 HB2 ASP 22 93.903 -8.107 8.361 170 HB3 ASP 22 HB1 ASP 22 93.182 -8.166 9.961 171 H ILE 23 HN ILE 23 94.663 -4.511 8.315 172 HA ILE 23 HA ILE 23 93.667 -4.113 5.640 173 HB ILE 23 HB ILE 23 95.617 -2.565 5.405 174 HG12 ILE 23 HG12 ILE 23 96.040 -3.005 8.362 175 HG13 ILE 23 HG11 ILE 23 96.961 -3.920 7.172 176 HG21 ILE 23 HG21 ILE 23 94.780 -1.013 7.305 177 HG22 ILE 23 HG22 ILE 23 93.627 -2.300 7.654 178 HG23 ILE 23 HG23 ILE 23 93.626 -1.517 6.073 179 HD11 ILE 23 HD11 ILE 23 96.833 -0.895 7.393 180 HD12 ILE 23 HD12 ILE 23 97.693 -1.773 6.134 181 HD13 ILE 23 HD13 ILE 23 98.207 -1.915 7.811 182 H VAL 24 HN VAL 24 95.004 -4.256 3.735 183 HA VAL 24 HA VAL 24 96.972 -6.468 3.864 184 HB VAL 24 HB VAL 24 96.329 -6.909 1.464 185 HG11 VAL 24 HG11 VAL 24 94.181 -7.228 3.579 186 HG12 VAL 24 HG12 VAL 24 95.573 -8.291 3.366 187 HG13 VAL 24 HG13 VAL 24 94.332 -8.199 2.113 188 HG21 VAL 24 HG21 VAL 24 94.108 -6.111 0.747 189 HG22 VAL 24 HG22 VAL 24 95.197 -4.754 1.026 190 HG23 VAL 24 HG23 VAL 24 93.964 -5.155 2.223 191 H LEU 25 HN LEU 25 98.907 -6.131 2.981 192 HA LEU 25 HA LEU 25 99.400 -3.997 1.120 193 HB2 LEU 25 HB2 LEU 25 101.216 -2.995 2.669 194 HB3 LEU 25 HB1 LEU 25 99.551 -2.535 2.943 195 HG LEU 25 HG LEU 25 100.908 -3.122 5.017 196 HD11 LEU 25 HD11 LEU 25 98.254 -3.369 4.606 197 HD12 LEU 25 HD12 LEU 25 99.024 -3.777 6.129 198 HD13 LEU 25 HD13 LEU 25 98.627 -5.047 4.981 199 HD21 LEU 25 HD21 LEU 25 101.345 -5.427 5.528 200 HD22 LEU 25 HD22 LEU 25 102.034 -5.111 3.940 201 HD23 LEU 25 HD23 LEU 25 100.499 -5.975 4.085 202 H TYR 26 HN TYR 26 102.289 -3.949 1.788 203 HA TYR 26 HA TYR 26 102.989 -6.667 0.813 204 HB2 TYR 26 HB2 TYR 26 104.121 -3.923 0.296 205 HB3 TYR 26 HB1 TYR 26 105.129 -5.348 0.065 206 HD1 TYR 26 HD1 TYR 26 101.559 -4.383 -0.689 207 HD2 TYR 26 HD2 TYR 26 105.218 -6.114 -2.136 208 HE1 TYR 26 HE1 TYR 26 100.501 -4.778 -2.892 209 HE2 TYR 26 HE2 TYR 26 104.155 -6.499 -4.343 210 HH TYR 26 HH TYR 26 101.630 -6.830 -5.135 211 HA PRO 27 HA PRO 27 104.938 -6.401 4.969 212 HB2 PRO 27 HB2 PRO 27 105.083 -9.290 5.079 213 HB3 PRO 27 HB1 PRO 27 104.048 -8.215 6.025 214 HG2 PRO 27 HG2 PRO 27 103.225 -9.971 3.981 215 HG3 PRO 27 HG1 PRO 27 102.248 -8.724 4.768 216 HD2 PRO 27 HD2 PRO 27 103.458 -8.707 2.071 217 HD3 PRO 27 HD1 PRO 27 102.159 -7.692 2.733 218 H GLU 28 HN GLU 28 105.837 -7.993 2.038 219 HA GLU 28 HA GLU 28 108.558 -8.549 2.931 220 HB2 GLU 28 HB2 GLU 28 107.277 -10.129 1.474 221 HB3 GLU 28 HB1 GLU 28 107.351 -8.929 0.188 222 HG2 GLU 28 HG2 GLU 28 109.179 -10.433 -0.180 223 HG3 GLU 28 HG1 GLU 28 109.875 -8.946 0.458 224 HA PRO 29 HA PRO 29 109.801 -4.438 1.550 225 HB2 PRO 29 HB2 PRO 29 112.567 -5.262 1.212 226 HB3 PRO 29 HB1 PRO 29 111.874 -4.235 2.477 227 HG2 PRO 29 HG2 PRO 29 112.758 -6.947 2.700 228 HG3 PRO 29 HG1 PRO 29 112.054 -5.920 3.957 229 HD2 PRO 29 HD2 PRO 29 110.829 -8.175 2.652 230 HD3 PRO 29 HD1 PRO 29 110.112 -7.114 3.878 231 H VAL 30 HN VAL 30 110.234 -3.458 -0.424 232 HA VAL 30 HA VAL 30 110.782 -5.239 -2.737 233 HB VAL 30 HB VAL 30 108.709 -3.036 -2.513 234 HG11 VAL 30 HG11 VAL 30 109.685 -2.666 -4.634 235 HG12 VAL 30 HG12 VAL 30 108.305 -3.711 -4.980 236 HG13 VAL 30 HG13 VAL 30 109.932 -4.387 -4.919 237 HG21 VAL 30 HG21 VAL 30 107.778 -5.099 -1.757 238 HG22 VAL 30 HG22 VAL 30 108.605 -6.024 -3.012 239 HG23 VAL 30 HG23 VAL 30 107.267 -4.957 -3.438 240 H ARG 31 HN ARG 31 112.225 -4.423 -4.242 241 HA ARG 31 HA ARG 31 113.266 -1.683 -3.749 242 HB2 ARG 31 HB2 ARG 31 114.923 -3.998 -4.756 243 HB3 ARG 31 HB1 ARG 31 115.478 -2.441 -4.133 244 HG2 ARG 31 HG2 ARG 31 114.571 -3.023 -1.909 245 HG3 ARG 31 HG1 ARG 31 114.054 -4.582 -2.528 246 HD2 ARG 31 HD2 ARG 31 116.924 -3.636 -2.585 247 HD3 ARG 31 HD1 ARG 31 116.258 -4.640 -1.303 248 HE ARG 31 HE ARG 31 115.719 -5.836 -3.810 249 HH11 ARG 31 HH11 ARG 31 116.749 -7.893 -3.930 250 HH12 ARG 31 HH12 ARG 31 118.393 -8.033 -3.402 251 HH21 ARG 31 HH21 ARG 31 118.550 -4.810 -2.152 252 HH22 ARG 31 HH22 ARG 31 119.410 -6.297 -2.388 253 H VAL 32 HN VAL 32 113.347 -0.367 -5.478 254 HA VAL 32 HA VAL 32 112.854 -1.514 -8.159 255 HB VAL 32 HB VAL 32 111.979 1.054 -6.841 256 HG11 VAL 32 HG11 VAL 32 111.136 1.753 -9.120 257 HG12 VAL 32 HG12 VAL 32 112.146 0.493 -9.796 258 HG13 VAL 32 HG13 VAL 32 112.886 1.838 -8.951 259 HG21 VAL 32 HG21 VAL 32 110.521 -0.955 -6.759 260 HG22 VAL 32 HG22 VAL 32 110.510 -0.977 -8.524 261 HG23 VAL 32 HG23 VAL 32 109.795 0.380 -7.657 262 H LEU 33 HN LEU 33 113.767 -0.323 -9.909 263 HA LEU 33 HA LEU 33 116.395 0.911 -9.318 264 HB2 LEU 33 HB2 LEU 33 115.484 -0.451 -11.867 265 HB3 LEU 33 HB1 LEU 33 117.115 0.099 -11.482 266 HG LEU 33 HG LEU 33 115.582 -2.100 -10.069 267 HD11 LEU 33 HD11 LEU 33 117.420 -3.528 -10.955 268 HD12 LEU 33 HD12 LEU 33 118.040 -2.136 -11.842 269 HD13 LEU 33 HD13 LEU 33 116.454 -2.798 -12.240 270 HD21 LEU 33 HD21 LEU 33 118.205 -0.727 -9.482 271 HD22 LEU 33 HD22 LEU 33 117.941 -2.399 -8.993 272 HD23 LEU 33 HD23 LEU 33 116.895 -1.127 -8.371 273 H GLU 34 HN GLU 34 116.598 3.024 -9.896 274 HA GLU 34 HA GLU 34 114.589 4.708 -10.594 275 HB2 GLU 34 HB2 GLU 34 116.839 5.522 -10.083 276 HB3 GLU 34 HB1 GLU 34 117.432 4.893 -11.610 277 HG2 GLU 34 HG2 GLU 34 115.945 6.410 -12.850 278 HG3 GLU 34 HG1 GLU 34 115.301 7.032 -11.336 279 H GLY 35 HN GLY 35 113.179 4.755 -12.170 280 HA2 GLY 35 HA2 GLY 35 112.561 5.058 -14.453 281 HA3 GLY 35 HA1 GLY 35 114.051 4.276 -14.950 282 H GLU 36 HN GLU 36 112.805 2.350 -12.578 283 HA GLU 36 HA GLU 36 111.450 0.618 -14.571 284 HB2 GLU 36 HB2 GLU 36 113.407 -0.357 -13.334 285 HB3 GLU 36 HB1 GLU 36 112.507 -0.164 -11.843 286 HG2 GLU 36 HG2 GLU 36 112.114 -2.407 -12.527 287 HG3 GLU 36 HG1 GLU 36 110.649 -1.524 -12.944 288 H THR 37 HN THR 37 109.331 0.664 -14.529 289 HA THR 37 HA THR 37 107.892 2.048 -12.493 290 HB THR 37 HB THR 37 105.993 1.708 -13.826 291 HG1 THR 37 HG1 THR 37 107.112 -0.720 -14.147 292 HG21 THR 37 HG21 THR 37 108.256 1.429 -15.805 293 HG22 THR 37 HG22 THR 37 107.937 2.922 -14.923 294 HG23 THR 37 HG23 THR 37 106.724 2.272 -16.029 295 H ALA 38 HN ALA 38 106.707 1.349 -10.880 296 HA ALA 38 HA ALA 38 106.685 -1.552 -10.275 297 HB1 ALA 38 HB1 ALA 38 106.522 -0.270 -7.829 298 HB2 ALA 38 HB2 ALA 38 107.590 0.800 -8.735 299 HB3 ALA 38 HB3 ALA 38 108.014 -0.897 -8.531 300 H ARG 39 HN ARG 39 104.930 -2.196 -8.852 301 HA ARG 39 HA ARG 39 102.520 -0.483 -8.948 302 HB2 ARG 39 HB2 ARG 39 102.608 -3.374 -9.849 303 HB3 ARG 39 HB1 ARG 39 101.144 -2.416 -9.642 304 HG2 ARG 39 HG2 ARG 39 101.912 -0.826 -11.344 305 HG3 ARG 39 HG1 ARG 39 103.413 -1.732 -11.523 306 HD2 ARG 39 HD2 ARG 39 101.901 -2.365 -13.317 307 HD3 ARG 39 HD1 ARG 39 102.101 -3.730 -12.226 308 HE ARG 39 HE ARG 39 99.827 -2.208 -11.453 309 HH11 ARG 39 HH11 ARG 39 100.368 -3.116 -14.600 310 HH12 ARG 39 HH12 ARG 39 99.082 -4.270 -14.709 311 HH21 ARG 39 HH21 ARG 39 98.432 -4.287 -11.307 312 HH22 ARG 39 HH22 ARG 39 97.987 -4.927 -12.854 313 H PHE 40 HN PHE 40 101.773 -0.305 -6.974 314 HA PHE 40 HA PHE 40 102.070 -2.591 -5.091 315 HB2 PHE 40 HB2 PHE 40 102.258 0.383 -4.636 316 HB3 PHE 40 HB1 PHE 40 102.011 -0.756 -3.319 317 HD1 PHE 40 HD1 PHE 40 104.389 0.679 -5.660 318 HD2 PHE 40 HD2 PHE 40 103.753 -2.532 -2.876 319 HE1 PHE 40 HE1 PHE 40 106.831 0.256 -5.588 320 HE2 PHE 40 HE2 PHE 40 106.197 -2.957 -2.816 321 HZ PHE 40 HZ PHE 40 107.726 -1.559 -4.173 322 H ARG 41 HN ARG 41 100.248 -3.316 -4.182 323 HA ARG 41 HA ARG 41 97.732 -1.829 -4.689 324 HB2 ARG 41 HB2 ARG 41 98.229 -4.770 -4.148 325 HB3 ARG 41 HB1 ARG 41 96.633 -4.036 -4.237 326 HG2 ARG 41 HG2 ARG 41 96.852 -4.764 -6.433 327 HG3 ARG 41 HG1 ARG 41 97.528 -3.143 -6.591 328 HD2 ARG 41 HD2 ARG 41 98.964 -4.839 -7.664 329 HD3 ARG 41 HD1 ARG 41 99.791 -4.042 -6.331 330 HE ARG 41 HE ARG 41 99.740 -6.057 -5.134 331 HH11 ARG 41 HH11 ARG 41 99.180 -6.637 -8.360 332 HH12 ARG 41 HH12 ARG 41 98.402 -8.170 -8.160 333 HH21 ARG 41 HH21 ARG 41 98.144 -7.892 -4.715 334 HH22 ARG 41 HH22 ARG 41 97.832 -8.888 -6.097 335 H CYS 42 HN CYS 42 96.406 -1.339 -3.019 336 HA CYS 42 HA CYS 42 97.040 -2.275 -0.310 337 HB2 CYS 42 HB2 CYS 42 98.384 -0.175 -0.739 338 HB3 CYS 42 HB1 CYS 42 96.849 0.681 -0.890 339 HG CYS 42 HG CYS 42 96.639 -0.741 1.660 340 H ARG 43 HN ARG 43 95.126 -3.076 0.291 341 HA ARG 43 HA ARG 43 92.710 -1.386 -0.041 342 HB2 ARG 43 HB2 ARG 43 92.841 -3.480 -1.534 343 HB3 ARG 43 HB1 ARG 43 92.723 -4.410 -0.043 344 HG2 ARG 43 HG2 ARG 43 90.580 -3.419 0.484 345 HG3 ARG 43 HG1 ARG 43 90.714 -2.299 -0.869 346 HD2 ARG 43 HD2 ARG 43 89.242 -4.176 -1.443 347 HD3 ARG 43 HD1 ARG 43 90.703 -4.215 -2.427 348 HE ARG 43 HE ARG 43 91.347 -6.176 -1.321 349 HH11 ARG 43 HH11 ARG 43 90.915 -7.942 0.032 350 HH12 ARG 43 HH12 ARG 43 89.576 -7.872 1.132 351 HH21 ARG 43 HH21 ARG 43 88.638 -4.662 0.209 352 HH22 ARG 43 HH22 ARG 43 88.302 -6.002 1.251 353 H VAL 44 HN VAL 44 90.952 -2.273 1.773 354 HA VAL 44 HA VAL 44 92.462 -2.996 4.183 355 HB VAL 44 HB VAL 44 92.014 -0.625 4.356 356 HG11 VAL 44 HG11 VAL 44 89.849 0.341 3.962 357 HG12 VAL 44 HG12 VAL 44 89.106 -1.249 3.792 358 HG13 VAL 44 HG13 VAL 44 90.225 -0.662 2.563 359 HG21 VAL 44 HG21 VAL 44 89.756 -1.922 5.888 360 HG22 VAL 44 HG22 VAL 44 90.788 -0.581 6.379 361 HG23 VAL 44 HG23 VAL 44 91.440 -2.215 6.316 362 H THR 45 HN THR 45 90.770 -3.810 5.914 363 HA THR 45 HA THR 45 88.394 -4.984 4.668 364 HB THR 45 HB THR 45 88.846 -7.203 5.299 365 HG1 THR 45 HG1 THR 45 90.852 -6.025 6.880 366 HG21 THR 45 HG21 THR 45 91.596 -6.221 4.493 367 HG22 THR 45 HG22 THR 45 90.251 -6.325 3.356 368 HG23 THR 45 HG23 THR 45 90.856 -7.782 4.143 369 H GLY 46 HN GLY 46 86.810 -5.685 6.293 370 HA2 GLY 46 HA2 GLY 46 86.623 -5.845 8.872 371 HA3 GLY 46 HA1 GLY 46 87.109 -4.154 8.809 372 H TYR 47 HN TYR 47 85.728 -2.718 7.456 373 HA TYR 47 HA TYR 47 82.907 -3.571 7.313 374 HB2 TYR 47 HB2 TYR 47 83.752 -2.115 9.424 375 HB3 TYR 47 HB1 TYR 47 83.483 -0.794 8.291 376 HD1 TYR 47 HD1 TYR 47 81.798 -3.955 9.442 377 HD2 TYR 47 HD2 TYR 47 81.333 0.141 8.222 378 HE1 TYR 47 HE1 TYR 47 79.360 -4.096 9.883 379 HE2 TYR 47 HE2 TYR 47 78.899 -0.004 8.663 380 HH TYR 47 HH TYR 47 77.490 -2.685 10.326 381 HA PRO 48 HA PRO 48 83.260 -1.818 3.262 382 HB2 PRO 48 HB2 PRO 48 80.614 -0.623 3.234 383 HB3 PRO 48 HB1 PRO 48 81.166 -2.098 2.425 384 HG2 PRO 48 HG2 PRO 48 79.551 -1.841 4.812 385 HG3 PRO 48 HG1 PRO 48 79.956 -3.300 3.899 386 HD2 PRO 48 HD2 PRO 48 80.939 -2.610 6.455 387 HD3 PRO 48 HD1 PRO 48 81.559 -3.900 5.417 388 H GLN 49 HN GLN 49 84.489 -0.086 2.896 389 HA GLN 49 HA GLN 49 85.220 2.028 2.692 390 HB2 GLN 49 HB2 GLN 49 82.889 2.411 1.905 391 HB3 GLN 49 HB1 GLN 49 82.463 2.897 3.544 392 HG2 GLN 49 HG2 GLN 49 84.003 4.751 3.478 393 HG3 GLN 49 HG1 GLN 49 84.701 4.185 1.960 394 HE21 GLN 49 HE21 GLN 49 81.281 3.796 2.238 395 HE22 GLN 49 HE22 GLN 49 80.836 5.113 1.264 396 HA PRO 50 HA PRO 50 85.797 2.738 7.224 397 HB2 PRO 50 HB2 PRO 50 88.505 1.708 7.079 398 HB3 PRO 50 HB1 PRO 50 87.117 0.989 7.915 399 HG2 PRO 50 HG2 PRO 50 88.344 -0.100 5.701 400 HG3 PRO 50 HG1 PRO 50 86.691 -0.462 6.209 401 HD2 PRO 50 HD2 PRO 50 87.639 1.440 4.075 402 HD3 PRO 50 HD1 PRO 50 86.250 0.328 4.050 403 H LYS 51 HN LYS 51 88.392 3.526 7.970 404 HA LYS 51 HA LYS 51 88.851 5.921 6.287 405 HB2 LYS 51 HB2 LYS 51 89.509 5.309 9.169 406 HB3 LYS 51 HB1 LYS 51 90.079 6.751 8.331 407 HG2 LYS 51 HG2 LYS 51 87.738 7.386 7.854 408 HG3 LYS 51 HG1 LYS 51 87.176 5.957 8.715 409 HD2 LYS 51 HD2 LYS 51 88.220 6.781 10.794 410 HD3 LYS 51 HD1 LYS 51 88.794 8.214 9.937 411 HE2 LYS 51 HE2 LYS 51 86.470 8.840 9.410 412 HE3 LYS 51 HE1 LYS 51 85.884 7.410 10.255 413 HZ1 LYS 51 HZ1 LYS 51 86.851 8.253 12.292 414 HZ2 LYS 51 HZ2 LYS 51 85.768 9.390 11.642 415 HZ3 LYS 51 HZ3 LYS 51 87.445 9.622 11.482 416 H VAL 52 HN VAL 52 90.903 6.266 5.366 417 HA VAL 52 HA VAL 52 93.085 4.452 6.129 418 HB VAL 52 HB VAL 52 91.935 4.584 3.341 419 HG11 VAL 52 HG11 VAL 52 94.230 4.633 2.888 420 HG12 VAL 52 HG12 VAL 52 93.942 2.898 2.984 421 HG13 VAL 52 HG13 VAL 52 94.648 3.749 4.355 422 HG21 VAL 52 HG21 VAL 52 91.887 2.092 3.673 423 HG22 VAL 52 HG22 VAL 52 90.844 2.962 4.794 424 HG23 VAL 52 HG23 VAL 52 92.401 2.350 5.339 425 H ASN 53 HN ASN 53 95.085 5.228 5.837 426 HA ASN 53 HA ASN 53 95.513 7.703 4.295 427 HB2 ASN 53 HB2 ASN 53 96.087 7.279 7.229 428 HB3 ASN 53 HB1 ASN 53 96.976 8.465 6.277 429 HD21 ASN 53 HD21 ASN 53 95.031 9.595 4.657 430 HD22 ASN 53 HD22 ASN 53 93.801 10.292 5.602 431 H TRP 54 HN TRP 54 97.585 7.780 3.315 432 HA TRP 54 HA TRP 54 99.341 5.433 3.877 433 HB2 TRP 54 HB2 TRP 54 99.646 6.587 1.179 434 HB3 TRP 54 HB1 TRP 54 99.472 4.903 1.669 435 HD1 TRP 54 HD1 TRP 54 97.328 3.817 0.969 436 HE1 TRP 54 HE1 TRP 54 94.999 4.634 0.240 437 HE3 TRP 54 HE3 TRP 54 97.855 8.840 1.711 438 HZ2 TRP 54 HZ2 TRP 54 93.547 7.050 0.016 439 HZ3 TRP 54 HZ3 TRP 54 95.960 10.372 1.227 440 HH2 TRP 54 HH2 TRP 54 93.817 9.488 0.385 441 H TYR 55 HN TYR 55 101.522 5.677 3.773 442 HA TYR 55 HA TYR 55 102.566 8.452 3.751 443 HB2 TYR 55 HB2 TYR 55 103.289 6.081 5.471 444 HB3 TYR 55 HB1 TYR 55 104.329 7.493 5.322 445 HD1 TYR 55 HD1 TYR 55 100.753 6.592 6.041 446 HD2 TYR 55 HD2 TYR 55 104.022 9.268 6.820 447 HE1 TYR 55 HE1 TYR 55 99.403 7.740 7.779 448 HE2 TYR 55 HE2 TYR 55 102.667 10.415 8.548 449 HH TYR 55 HH TYR 55 99.350 9.349 9.299 450 H LEU 56 HN LEU 56 103.619 8.620 1.777 451 HA LEU 56 HA LEU 56 105.064 6.292 0.712 452 HB2 LEU 56 HB2 LEU 56 104.271 8.988 -0.364 453 HB3 LEU 56 HB1 LEU 56 105.560 8.082 -1.155 454 HG LEU 56 HG LEU 56 103.991 6.126 -1.346 455 HD11 LEU 56 HD11 LEU 56 102.057 8.164 -0.201 456 HD12 LEU 56 HD12 LEU 56 102.413 6.552 0.418 457 HD13 LEU 56 HD13 LEU 56 101.520 6.739 -1.092 458 HD21 LEU 56 HD21 LEU 56 102.926 8.683 -2.581 459 HD22 LEU 56 HD22 LEU 56 102.761 7.047 -3.220 460 HD23 LEU 56 HD23 LEU 56 104.346 7.818 -3.166 461 H ASN 57 HN ASN 57 107.283 6.050 0.891 462 HA ASN 57 HA ASN 57 109.361 6.411 1.716 463 HB2 ASN 57 HB2 ASN 57 108.802 9.169 0.594 464 HB3 ASN 57 HB1 ASN 57 110.395 8.538 1.016 465 HD21 ASN 57 HD21 ASN 57 109.247 5.781 0.018 466 HD22 ASN 57 HD22 ASN 57 109.458 5.877 -1.662 467 H GLY 58 HN GLY 58 106.770 7.434 3.230 468 HA2 GLY 58 HA2 GLY 58 106.721 7.747 5.592 469 HA3 GLY 58 HA1 GLY 58 108.265 8.585 5.494 470 H GLN 59 HN GLN 59 105.780 9.282 3.156 471 HA GLN 59 HA GLN 59 105.210 11.878 4.486 472 HB2 GLN 59 HB2 GLN 59 105.556 11.289 1.542 473 HB3 GLN 59 HB1 GLN 59 104.968 12.819 2.196 474 HG2 GLN 59 HG2 GLN 59 107.025 13.111 3.468 475 HG3 GLN 59 HG1 GLN 59 107.610 11.541 2.918 476 HE21 GLN 59 HE21 GLN 59 109.417 13.224 2.206 477 HE22 GLN 59 HE22 GLN 59 109.264 13.806 0.618 478 H LEU 60 HN LEU 60 103.224 12.027 5.104 479 HA LEU 60 HA LEU 60 101.095 10.331 4.365 480 HB2 LEU 60 HB2 LEU 60 101.150 11.381 6.533 481 HB3 LEU 60 HB1 LEU 60 101.212 12.979 5.809 482 HG LEU 60 HG LEU 60 98.899 12.544 4.856 483 HD11 LEU 60 HD11 LEU 60 99.086 10.120 6.671 484 HD12 LEU 60 HD12 LEU 60 98.887 10.093 4.919 485 HD13 LEU 60 HD13 LEU 60 97.601 10.720 5.943 486 HD21 LEU 60 HD21 LEU 60 97.789 13.026 6.931 487 HD22 LEU 60 HD22 LEU 60 99.379 13.786 6.989 488 HD23 LEU 60 HD23 LEU 60 99.087 12.279 7.860 489 H ILE 61 HN ILE 61 99.204 10.790 3.231 490 HA ILE 61 HA ILE 61 97.871 11.522 1.610 491 HB ILE 61 HB ILE 61 97.564 13.625 2.647 492 HG12 ILE 61 HG12 ILE 61 97.051 15.018 0.710 493 HG13 ILE 61 HG11 ILE 61 98.158 14.089 -0.293 494 HG21 ILE 61 HG21 ILE 61 99.705 14.506 3.079 495 HG22 ILE 61 HG22 ILE 61 99.007 15.595 1.889 496 HG23 ILE 61 HG23 ILE 61 100.185 14.394 1.382 497 HD11 ILE 61 HD11 ILE 61 95.877 12.721 1.127 498 HD12 ILE 61 HD12 ILE 61 96.745 12.208 -0.319 499 HD13 ILE 61 HD13 ILE 61 95.610 13.551 -0.405 500 H ARG 62 HN ARG 62 97.993 10.610 -0.172 501 HA ARG 62 HA ARG 62 100.368 10.808 -1.881 502 HB2 ARG 62 HB2 ARG 62 99.011 8.623 -1.404 503 HB3 ARG 62 HB1 ARG 62 97.858 9.277 -2.564 504 HG2 ARG 62 HG2 ARG 62 100.188 9.644 -3.957 505 HG3 ARG 62 HG1 ARG 62 100.616 8.217 -3.022 506 HD2 ARG 62 HD2 ARG 62 98.379 7.236 -3.813 507 HD3 ARG 62 HD1 ARG 62 98.340 8.552 -4.976 508 HE ARG 62 HE ARG 62 99.972 6.207 -5.130 509 HH11 ARG 62 HH11 ARG 62 99.984 9.618 -5.700 510 HH12 ARG 62 HH12 ARG 62 101.048 9.526 -7.059 511 HH21 ARG 62 HH21 ARG 62 101.265 6.069 -7.001 512 HH22 ARG 62 HH22 ARG 62 101.757 7.517 -7.816 513 H LYS 63 HN LYS 63 100.080 11.405 -4.194 514 HA LYS 63 HA LYS 63 98.375 13.705 -4.425 515 HB2 LYS 63 HB2 LYS 63 100.179 12.383 -6.464 516 HB3 LYS 63 HB1 LYS 63 99.391 13.947 -6.670 517 HG2 LYS 63 HG2 LYS 63 101.114 13.419 -4.245 518 HG3 LYS 63 HG1 LYS 63 101.849 13.888 -5.775 519 HD2 LYS 63 HD2 LYS 63 100.811 16.001 -5.779 520 HD3 LYS 63 HD1 LYS 63 99.578 15.517 -4.628 521 HE2 LYS 63 HE2 LYS 63 101.191 15.425 -2.831 522 HE3 LYS 63 HE1 LYS 63 102.522 15.707 -3.959 523 HZ1 LYS 63 HZ1 LYS 63 102.119 17.887 -3.999 524 HZ2 LYS 63 HZ2 LYS 63 101.201 17.627 -2.595 525 HZ3 LYS 63 HZ3 LYS 63 100.439 17.684 -4.112 526 H SER 64 HN SER 64 96.641 14.042 -5.611 527 HA SER 64 HA SER 64 94.877 11.851 -6.027 528 HB2 SER 64 HB2 SER 64 93.222 13.467 -6.282 529 HB3 SER 64 HB1 SER 64 94.400 14.281 -5.259 530 HG SER 64 HG SER 64 93.541 14.927 -7.724 531 H LYS 65 HN LYS 65 93.617 13.449 -8.224 532 HA LYS 65 HA LYS 65 93.408 12.049 -10.322 533 HB2 LYS 65 HB2 LYS 65 94.255 14.934 -10.440 534 HB3 LYS 65 HB1 LYS 65 93.573 14.055 -11.811 535 HG2 LYS 65 HG2 LYS 65 91.550 13.547 -10.492 536 HG3 LYS 65 HG1 LYS 65 92.231 14.402 -9.107 537 HD2 LYS 65 HD2 LYS 65 92.330 16.487 -10.482 538 HD3 LYS 65 HD1 LYS 65 91.554 15.615 -11.807 539 HE2 LYS 65 HE2 LYS 65 90.344 15.908 -9.042 540 HE3 LYS 65 HE1 LYS 65 89.949 16.948 -10.412 541 HZ1 LYS 65 HZ1 LYS 65 89.795 14.284 -11.243 542 HZ2 LYS 65 HZ2 LYS 65 88.539 15.421 -11.123 543 HZ3 LYS 65 HZ3 LYS 65 88.914 14.423 -9.799 544 H ARG 66 HN ARG 66 96.663 13.475 -9.772 545 HA ARG 66 HA ARG 66 97.709 12.728 -12.297 546 HB2 ARG 66 HB2 ARG 66 99.041 13.111 -9.605 547 HB3 ARG 66 HB1 ARG 66 99.941 12.774 -11.086 548 HG2 ARG 66 HG2 ARG 66 99.095 14.766 -12.145 549 HG3 ARG 66 HG1 ARG 66 97.978 15.063 -10.816 550 HD2 ARG 66 HD2 ARG 66 99.906 16.527 -10.572 551 HD3 ARG 66 HD1 ARG 66 99.931 15.325 -9.288 552 HE ARG 66 HE ARG 66 101.447 14.431 -11.529 553 HH11 ARG 66 HH11 ARG 66 103.687 14.265 -11.170 554 HH12 ARG 66 HH12 ARG 66 104.448 15.324 -10.030 555 HH21 ARG 66 HH21 ARG 66 101.482 16.825 -9.027 556 HH22 ARG 66 HH22 ARG 66 103.201 16.772 -8.819 557 H PHE 67 HN PHE 67 97.382 10.973 -9.271 558 HA PHE 67 HA PHE 67 98.120 8.453 -10.665 559 HB2 PHE 67 HB2 PHE 67 98.644 9.268 -7.793 560 HB3 PHE 67 HB1 PHE 67 98.849 7.624 -8.410 561 HD1 PHE 67 HD1 PHE 67 100.182 11.030 -8.361 562 HD2 PHE 67 HD2 PHE 67 100.580 7.141 -10.139 563 HE1 PHE 67 HE1 PHE 67 102.415 11.657 -9.232 564 HE2 PHE 67 HE2 PHE 67 102.816 7.766 -11.012 565 HZ PHE 67 HZ PHE 67 103.729 10.028 -10.558 566 H ARG 68 HN ARG 68 96.854 6.618 -10.072 567 HA ARG 68 HA ARG 68 94.121 7.254 -9.557 568 HB2 ARG 68 HB2 ARG 68 95.474 4.553 -9.553 569 HB3 ARG 68 HB1 ARG 68 93.751 4.856 -9.726 570 HG2 ARG 68 HG2 ARG 68 95.818 5.968 -11.642 571 HG3 ARG 68 HG1 ARG 68 95.023 4.420 -11.901 572 HD2 ARG 68 HD2 ARG 68 93.772 7.172 -11.847 573 HD3 ARG 68 HD1 ARG 68 93.765 5.996 -13.152 574 HE ARG 68 HE ARG 68 92.484 4.812 -10.966 575 HH11 ARG 68 HH11 ARG 68 90.859 6.816 -10.157 576 HH12 ARG 68 HH12 ARG 68 89.674 7.094 -11.389 577 HH21 ARG 68 HH21 ARG 68 91.510 5.500 -13.863 578 HH22 ARG 68 HH22 ARG 68 90.052 6.359 -13.496 579 H VAL 69 HN VAL 69 93.316 7.728 -7.624 580 HA VAL 69 HA VAL 69 93.863 5.983 -5.366 581 HB VAL 69 HB VAL 69 95.594 7.882 -5.314 582 HG11 VAL 69 HG11 VAL 69 93.878 9.643 -5.972 583 HG12 VAL 69 HG12 VAL 69 94.891 10.041 -4.585 584 HG13 VAL 69 HG13 VAL 69 93.236 9.496 -4.337 585 HG21 VAL 69 HG21 VAL 69 95.254 8.228 -2.855 586 HG22 VAL 69 HG22 VAL 69 95.132 6.536 -3.346 587 HG23 VAL 69 HG23 VAL 69 93.669 7.464 -3.012 588 H ARG 70 HN ARG 70 92.074 5.648 -4.266 589 HA ARG 70 HA ARG 70 89.841 7.600 -4.397 590 HB2 ARG 70 HB2 ARG 70 89.718 4.595 -4.769 591 HB3 ARG 70 HB1 ARG 70 88.307 5.603 -4.468 592 HG2 ARG 70 HG2 ARG 70 88.747 6.879 -6.519 593 HG3 ARG 70 HG1 ARG 70 90.203 5.924 -6.812 594 HD2 ARG 70 HD2 ARG 70 88.866 3.881 -6.987 595 HD3 ARG 70 HD1 ARG 70 87.401 4.781 -6.618 596 HE ARG 70 HE ARG 70 88.627 5.944 -8.884 597 HH11 ARG 70 HH11 ARG 70 88.220 5.068 -11.010 598 HH12 ARG 70 HH12 ARG 70 87.032 3.817 -11.169 599 HH21 ARG 70 HH21 ARG 70 86.599 3.417 -7.756 600 HH22 ARG 70 HH22 ARG 70 86.129 2.874 -9.332 601 H TYR 71 HN TYR 71 90.025 8.319 -2.298 602 HA TYR 71 HA TYR 71 90.728 6.548 -0.173 603 HB2 TYR 71 HB2 TYR 71 89.622 8.699 1.115 604 HB3 TYR 71 HB1 TYR 71 91.281 8.660 0.531 605 HD1 TYR 71 HD1 TYR 71 87.811 9.631 -0.399 606 HD2 TYR 71 HD2 TYR 71 92.003 10.138 -1.216 607 HE1 TYR 71 HE1 TYR 71 87.284 11.514 -1.904 608 HE2 TYR 71 HE2 TYR 71 91.465 12.031 -2.729 609 HH TYR 71 HH TYR 71 89.849 13.272 -3.639 610 H ASP 72 HN ASP 72 89.271 4.848 -0.392 611 HA ASP 72 HA ASP 72 86.912 5.105 1.212 612 HB2 ASP 72 HB2 ASP 72 86.630 4.494 -1.745 613 HB3 ASP 72 HB1 ASP 72 85.379 4.175 -0.547 614 H GLY 73 HN GLY 73 89.525 3.679 0.877 615 HA2 GLY 73 HA2 GLY 73 89.948 1.554 1.936 616 HA3 GLY 73 HA1 GLY 73 88.525 0.904 1.128 617 H ILE 74 HN ILE 74 89.455 2.530 -1.323 618 HA ILE 74 HA ILE 74 91.324 0.494 -2.398 619 HB ILE 74 HB ILE 74 89.403 2.391 -3.786 620 HG12 ILE 74 HG12 ILE 74 88.462 0.083 -4.536 621 HG13 ILE 74 HG11 ILE 74 89.402 -0.582 -3.203 622 HG21 ILE 74 HG21 ILE 74 91.500 0.498 -4.840 623 HG22 ILE 74 HG22 ILE 74 91.204 2.183 -5.274 624 HG23 ILE 74 HG23 ILE 74 90.083 0.929 -5.803 625 HD11 ILE 74 HD11 ILE 74 88.113 0.499 -1.580 626 HD12 ILE 74 HD12 ILE 74 86.904 0.108 -2.798 627 HD13 ILE 74 HD13 ILE 74 87.547 1.743 -2.694 628 H HIS 75 HN HIS 75 93.405 1.172 -2.486 629 HA HIS 75 HA HIS 75 93.924 3.879 -3.535 630 HB2 HIS 75 HB2 HIS 75 95.837 3.267 -1.417 631 HB3 HIS 75 HB1 HIS 75 94.788 4.673 -1.597 632 HD1 HIS 75 HD1 HIS 75 94.588 1.071 -0.394 633 HD2 HIS 75 HD2 HIS 75 92.684 4.724 0.217 634 HE1 HIS 75 HE1 HIS 75 92.846 0.676 1.398 635 H TYR 76 HN TYR 76 95.010 3.506 -5.341 636 HA TYR 76 HA TYR 76 96.959 1.287 -5.448 637 HB2 TYR 76 HB2 TYR 76 95.893 3.075 -7.651 638 HB3 TYR 76 HB1 TYR 76 96.934 1.670 -7.866 639 HD1 TYR 76 HD1 TYR 76 93.614 2.720 -8.024 640 HD2 TYR 76 HD2 TYR 76 96.001 -0.534 -6.532 641 HE1 TYR 76 HE1 TYR 76 91.623 1.249 -8.062 642 HE2 TYR 76 HE2 TYR 76 94.007 -2.008 -6.584 643 HH TYR 76 HH TYR 76 91.128 -1.169 -8.179 644 H LEU 77 HN LEU 77 99.022 1.738 -5.053 645 HA LEU 77 HA LEU 77 100.009 4.496 -5.464 646 HB2 LEU 77 HB2 LEU 77 101.302 2.294 -3.852 647 HB3 LEU 77 HB1 LEU 77 101.736 4.000 -3.870 648 HG LEU 77 HG LEU 77 99.120 2.822 -2.881 649 HD11 LEU 77 HD11 LEU 77 101.389 4.200 -1.402 650 HD12 LEU 77 HD12 LEU 77 101.024 2.475 -1.349 651 HD13 LEU 77 HD13 LEU 77 99.878 3.640 -0.685 652 HD21 LEU 77 HD21 LEU 77 100.060 5.660 -3.296 653 HD22 LEU 77 HD22 LEU 77 98.867 5.281 -2.050 654 HD23 LEU 77 HD23 LEU 77 98.519 4.926 -3.740 655 H ASP 78 HN ASP 78 100.778 4.668 -7.487 656 HA ASP 78 HA ASP 78 102.612 2.540 -8.478 657 HB2 ASP 78 HB2 ASP 78 100.424 2.664 -9.671 658 HB3 ASP 78 HB1 ASP 78 100.815 4.319 -10.135 659 H ILE 79 HN ILE 79 104.527 3.147 -9.397 660 HA ILE 79 HA ILE 79 105.142 6.049 -9.630 661 HB ILE 79 HB ILE 79 107.489 5.337 -8.791 662 HG12 ILE 79 HG12 ILE 79 106.117 3.216 -7.181 663 HG13 ILE 79 HG11 ILE 79 106.450 2.802 -8.859 664 HG21 ILE 79 HG21 ILE 79 105.049 5.490 -7.010 665 HG22 ILE 79 HG22 ILE 79 106.139 6.799 -7.455 666 HG23 ILE 79 HG23 ILE 79 106.694 5.518 -6.381 667 HD11 ILE 79 HD11 ILE 79 108.265 2.303 -7.039 668 HD12 ILE 79 HD12 ILE 79 108.616 4.027 -7.167 669 HD13 ILE 79 HD13 ILE 79 108.762 2.990 -8.583 670 H VAL 80 HN VAL 80 105.462 6.311 -11.791 671 HA VAL 80 HA VAL 80 106.600 4.154 -13.385 672 HB VAL 80 HB VAL 80 106.089 6.853 -14.578 673 HG11 VAL 80 HG11 VAL 80 106.679 4.666 -15.819 674 HG12 VAL 80 HG12 VAL 80 105.310 5.589 -16.429 675 HG13 VAL 80 HG13 VAL 80 105.038 4.154 -15.445 676 HG21 VAL 80 HG21 VAL 80 103.603 6.285 -14.621 677 HG22 VAL 80 HG22 VAL 80 104.236 6.811 -13.062 678 HG23 VAL 80 HG23 VAL 80 103.939 5.099 -13.359 679 H ASP 81 HN ASP 81 107.886 5.876 -15.304 680 HA ASP 81 HA ASP 81 110.489 6.022 -14.104 681 HB2 ASP 81 HB2 ASP 81 110.231 5.375 -16.458 682 HB3 ASP 81 HB1 ASP 81 109.493 6.934 -16.815 683 H CYS 82 HN CYS 82 109.018 7.555 -12.553 684 HA CYS 82 HA CYS 82 110.153 10.181 -12.930 685 HB2 CYS 82 HB2 CYS 82 107.156 9.849 -12.828 686 HB3 CYS 82 HB1 CYS 82 108.010 11.383 -12.685 687 HG CYS 82 HG CYS 82 107.323 10.981 -15.215 688 H LYS 83 HN LYS 83 111.174 10.296 -11.002 689 HA LYS 83 HA LYS 83 111.417 10.620 -8.778 690 HB2 LYS 83 HB2 LYS 83 108.472 10.212 -8.320 691 HB3 LYS 83 HB1 LYS 83 109.612 11.182 -7.396 692 HG2 LYS 83 HG2 LYS 83 109.848 12.552 -9.624 693 HG3 LYS 83 HG1 LYS 83 108.310 11.794 -10.045 694 HD2 LYS 83 HD2 LYS 83 108.801 13.352 -7.490 695 HD3 LYS 83 HD1 LYS 83 108.000 14.001 -8.919 696 HE2 LYS 83 HE2 LYS 83 106.347 12.083 -8.746 697 HE3 LYS 83 HE1 LYS 83 107.077 11.688 -7.190 698 HZ1 LYS 83 HZ1 LYS 83 105.276 13.058 -6.685 699 HZ2 LYS 83 HZ2 LYS 83 105.610 14.138 -7.953 700 HZ3 LYS 83 HZ3 LYS 83 106.619 14.088 -6.586 701 H SER 84 HN SER 84 112.520 8.546 -8.904 702 HA SER 84 HA SER 84 111.156 6.522 -7.273 703 HB2 SER 84 HB2 SER 84 112.063 4.782 -8.883 704 HB3 SER 84 HB1 SER 84 110.728 5.752 -9.487 705 HG SER 84 HG SER 84 112.234 7.046 -10.565 706 H TYR 85 HN TYR 85 114.178 7.608 -8.779 707 HA TYR 85 HA TYR 85 116.028 5.971 -7.475 708 HB2 TYR 85 HB2 TYR 85 117.679 7.471 -8.253 709 HB3 TYR 85 HB1 TYR 85 116.365 7.620 -9.397 710 HD1 TYR 85 HD1 TYR 85 114.449 9.385 -8.476 711 HD2 TYR 85 HD2 TYR 85 118.670 9.519 -7.689 712 HE1 TYR 85 HE1 TYR 85 114.282 11.805 -8.015 713 HE2 TYR 85 HE2 TYR 85 118.499 11.952 -7.226 714 HH TYR 85 HH TYR 85 115.601 13.752 -7.902 715 H ASP 86 HN ASP 86 114.520 6.291 -5.271 716 HA ASP 86 HA ASP 86 116.319 7.694 -3.481 717 HB2 ASP 86 HB2 ASP 86 113.496 8.608 -4.008 718 HB3 ASP 86 HB1 ASP 86 114.322 8.969 -2.493 719 H THR 87 HN THR 87 116.646 6.296 -1.909 720 HA THR 87 HA THR 87 114.686 4.267 -1.309 721 HB THR 87 HB THR 87 116.369 3.274 0.060 722 HG1 THR 87 HG1 THR 87 117.614 4.489 1.193 723 HG21 THR 87 HG21 THR 87 118.329 3.246 -1.423 724 HG22 THR 87 HG22 THR 87 117.756 4.709 -2.227 725 HG23 THR 87 HG23 THR 87 116.842 3.204 -2.368 726 H GLY 88 HN GLY 88 113.026 4.595 -0.026 727 HA2 GLY 88 HA2 GLY 88 113.383 6.190 2.444 728 HA3 GLY 88 HA1 GLY 88 112.018 6.494 1.373 729 H GLU 89 HN GLU 89 110.495 5.897 3.023 730 HA GLU 89 HA GLU 89 110.150 2.978 3.257 731 HB2 GLU 89 HB2 GLU 89 110.285 4.877 5.603 732 HB3 GLU 89 HB1 GLU 89 109.640 3.240 5.701 733 HG2 GLU 89 HG2 GLU 89 111.812 2.367 4.877 734 HG3 GLU 89 HG1 GLU 89 112.446 4.012 4.868 735 H VAL 90 HN VAL 90 107.997 2.326 3.386 736 HA VAL 90 HA VAL 90 105.991 4.477 3.353 737 HB VAL 90 HB VAL 90 104.720 3.223 1.808 738 HG11 VAL 90 HG11 VAL 90 107.606 2.897 0.976 739 HG12 VAL 90 HG12 VAL 90 106.725 4.417 0.917 740 HG13 VAL 90 HG13 VAL 90 106.213 3.072 -0.091 741 HG21 VAL 90 HG21 VAL 90 105.558 0.956 1.023 742 HG22 VAL 90 HG22 VAL 90 104.913 0.996 2.662 743 HG23 VAL 90 HG23 VAL 90 106.657 0.992 2.400 744 H LYS 91 HN LYS 91 104.307 4.340 4.701 745 HA LYS 91 HA LYS 91 103.898 1.860 6.272 746 HB2 LYS 91 HB2 LYS 91 105.194 3.511 7.604 747 HB3 LYS 91 HB1 LYS 91 103.907 4.688 7.362 748 HG2 LYS 91 HG2 LYS 91 102.308 3.194 8.497 749 HG3 LYS 91 HG1 LYS 91 103.585 2.003 8.728 750 HD2 LYS 91 HD2 LYS 91 104.875 3.621 10.061 751 HD3 LYS 91 HD1 LYS 91 103.611 4.828 9.828 752 HE2 LYS 91 HE2 LYS 91 101.989 3.319 10.956 753 HE3 LYS 91 HE1 LYS 91 103.286 2.160 11.237 754 HZ1 LYS 91 HZ1 LYS 91 103.840 4.870 12.100 755 HZ2 LYS 91 HZ2 LYS 91 104.156 3.392 12.879 756 HZ3 LYS 91 HZ3 LYS 91 102.605 4.083 12.959 757 H VAL 92 HN VAL 92 101.789 1.251 6.362 758 HA VAL 92 HA VAL 92 99.730 3.208 5.496 759 HB VAL 92 HB VAL 92 99.965 0.217 5.073 760 HG11 VAL 92 HG11 VAL 92 97.740 0.482 3.904 761 HG12 VAL 92 HG12 VAL 92 97.598 2.063 4.665 762 HG13 VAL 92 HG13 VAL 92 97.661 0.606 5.659 763 HG21 VAL 92 HG21 VAL 92 99.503 2.449 3.073 764 HG22 VAL 92 HG22 VAL 92 99.959 0.778 2.737 765 HG23 VAL 92 HG23 VAL 92 101.112 1.871 3.501 766 H THR 93 HN THR 93 98.091 3.585 6.858 767 HA THR 93 HA THR 93 97.625 1.732 9.129 768 HB THR 93 HB THR 93 99.010 3.496 10.038 769 HG1 THR 93 HG1 THR 93 96.390 3.192 10.668 770 HG21 THR 93 HG21 THR 93 97.037 5.343 8.668 771 HG22 THR 93 HG22 THR 93 98.765 5.198 8.351 772 HG23 THR 93 HG23 THR 93 98.204 5.881 9.874 773 H ALA 94 HN ALA 94 95.520 1.726 9.948 774 HA ALA 94 HA ALA 94 93.501 3.292 8.450 775 HB1 ALA 94 HB1 ALA 94 93.307 0.347 9.110 776 HB2 ALA 94 HB2 ALA 94 93.643 1.000 7.506 777 HB3 ALA 94 HB3 ALA 94 92.088 1.317 8.279 778 H GLU 95 HN GLU 95 91.445 3.431 9.556 779 HA GLU 95 HA GLU 95 91.584 2.953 12.471 780 HB2 GLU 95 HB2 GLU 95 92.119 5.331 11.963 781 HB3 GLU 95 HB1 GLU 95 90.555 5.480 11.176 782 HG2 GLU 95 HG2 GLU 95 89.388 4.975 13.236 783 HG3 GLU 95 HG1 GLU 95 90.908 4.619 14.055 784 H ASN 96 HN ASN 96 89.519 2.806 13.502 785 HA ASN 96 HA ASN 96 87.141 2.645 11.889 786 HB2 ASN 96 HB2 ASN 96 88.532 0.188 12.938 787 HB3 ASN 96 HB1 ASN 96 86.771 0.218 12.899 788 HD21 ASN 96 HD21 ASN 96 89.634 0.690 10.804 789 HD22 ASN 96 HD22 ASN 96 88.858 0.213 9.374 790 HA PRO 97 HA PRO 97 85.474 3.960 15.724 791 HB2 PRO 97 HB2 PRO 97 83.122 2.263 15.719 792 HB3 PRO 97 HB1 PRO 97 83.234 3.979 15.310 793 HG2 PRO 97 HG2 PRO 97 82.941 1.716 13.538 794 HG3 PRO 97 HG1 PRO 97 82.884 3.440 13.149 795 HD2 PRO 97 HD2 PRO 97 84.965 1.629 12.468 796 HD3 PRO 97 HD1 PRO 97 85.000 3.397 12.314 797 H GLU 98 HN GLU 98 85.769 0.493 15.155 798 HA GLU 98 HA GLU 98 86.064 0.077 18.088 799 HB2 GLU 98 HB2 GLU 98 85.178 -2.158 17.800 800 HB3 GLU 98 HB1 GLU 98 84.037 -0.976 17.159 801 HG2 GLU 98 HG2 GLU 98 84.913 -1.381 14.880 802 HG3 GLU 98 HG1 GLU 98 86.008 -2.601 15.524 803 H GLY 99 HN GLY 99 88.003 0.316 15.441 804 HA2 GLY 99 HA2 GLY 99 89.984 -1.405 16.681 805 HA3 GLY 99 HA1 GLY 99 89.452 -1.915 15.084 806 H VAL 100 HN VAL 100 92.036 -1.219 15.826 807 HA VAL 100 HA VAL 100 92.564 0.948 13.911 808 HB VAL 100 HB VAL 100 93.649 0.791 16.733 809 HG11 VAL 100 HG11 VAL 100 94.545 2.366 14.320 810 HG12 VAL 100 HG12 VAL 100 95.526 1.334 15.363 811 HG13 VAL 100 HG13 VAL 100 94.915 2.878 15.967 812 HG21 VAL 100 HG21 VAL 100 92.078 2.871 15.186 813 HG22 VAL 100 HG22 VAL 100 92.747 3.128 16.796 814 HG23 VAL 100 HG23 VAL 100 91.492 1.912 16.546 815 H ILE 101 HN ILE 101 94.292 0.471 12.594 816 HA ILE 101 HA ILE 101 96.005 -1.827 13.361 817 HB ILE 101 HB ILE 101 95.100 -1.417 10.512 818 HG12 ILE 101 HG12 ILE 101 93.729 -3.270 12.493 819 HG13 ILE 101 HG11 ILE 101 93.064 -1.706 12.030 820 HG21 ILE 101 HG21 ILE 101 96.982 -2.895 10.817 821 HG22 ILE 101 HG22 ILE 101 95.576 -3.901 10.482 822 HG23 ILE 101 HG23 ILE 101 96.174 -3.747 12.131 823 HD11 ILE 101 HD11 ILE 101 92.568 -2.393 9.879 824 HD12 ILE 101 HD12 ILE 101 92.387 -3.929 10.718 825 HD13 ILE 101 HD13 ILE 101 93.868 -3.581 9.827 826 H GLU 102 HN GLU 102 98.074 -1.903 12.368 827 HA GLU 102 HA GLU 102 99.011 0.337 10.785 828 HB2 GLU 102 HB2 GLU 102 100.761 1.036 12.347 829 HB3 GLU 102 HB1 GLU 102 99.170 1.272 13.062 830 HG2 GLU 102 HG2 GLU 102 99.435 -0.930 14.239 831 HG3 GLU 102 HG1 GLU 102 101.079 -1.017 13.608 832 H HIS 103 HN HIS 103 100.665 -0.254 9.493 833 HA HIS 103 HA HIS 103 102.222 -2.686 10.153 834 HB2 HIS 103 HB2 HIS 103 100.519 -2.176 7.728 835 HB3 HIS 103 HB1 HIS 103 101.978 -3.145 7.558 836 HD1 HIS 103 HD1 HIS 103 98.600 -3.747 7.881 837 HD2 HIS 103 HD2 HIS 103 101.858 -5.101 10.103 838 HE1 HIS 103 HE1 HIS 103 97.857 -5.885 8.990 839 H LYS 104 HN LYS 104 104.347 -2.490 9.760 840 HA LYS 104 HA LYS 104 105.297 -0.128 8.225 841 HB2 LYS 104 HB2 LYS 104 106.637 -1.710 10.431 842 HB3 LYS 104 HB1 LYS 104 107.395 -0.402 9.531 843 HG2 LYS 104 HG2 LYS 104 105.694 1.165 10.309 844 HG3 LYS 104 HG1 LYS 104 104.858 -0.133 11.162 845 HD2 LYS 104 HD2 LYS 104 106.873 -0.517 12.540 846 HD3 LYS 104 HD1 LYS 104 107.686 0.808 11.707 847 HE2 LYS 104 HE2 LYS 104 105.995 2.386 12.523 848 HE3 LYS 104 HE1 LYS 104 105.128 1.068 13.317 849 HZ1 LYS 104 HZ1 LYS 104 106.397 1.808 15.036 850 HZ2 LYS 104 HZ2 LYS 104 107.670 2.329 14.039 851 HZ3 LYS 104 HZ3 LYS 104 107.477 0.678 14.382 852 H VAL 105 HN VAL 105 106.465 -0.430 6.456 853 HA VAL 105 HA VAL 105 107.938 -2.920 6.009 854 HB VAL 105 HB VAL 105 105.696 -3.288 5.010 855 HG11 VAL 105 HG11 VAL 105 105.550 -0.681 4.483 856 HG12 VAL 105 HG12 VAL 105 104.690 -1.862 3.493 857 HG13 VAL 105 HG13 VAL 105 106.220 -1.197 2.939 858 HG21 VAL 105 HG21 VAL 105 107.183 -4.558 3.779 859 HG22 VAL 105 HG22 VAL 105 108.210 -3.185 3.376 860 HG23 VAL 105 HG23 VAL 105 106.709 -3.443 2.498 861 H LYS 106 HN LYS 106 109.772 -2.612 4.741 862 HA LYS 106 HA LYS 106 110.443 0.218 4.208 863 HB2 LYS 106 HB2 LYS 106 112.132 -2.223 4.663 864 HB3 LYS 106 HB1 LYS 106 112.799 -0.663 4.187 865 HG2 LYS 106 HG2 LYS 106 111.715 0.376 6.175 866 HG3 LYS 106 HG1 LYS 106 111.157 -1.218 6.676 867 HD2 LYS 106 HD2 LYS 106 114.075 -0.520 6.231 868 HD3 LYS 106 HD1 LYS 106 113.287 -0.474 7.809 869 HE2 LYS 106 HE2 LYS 106 112.587 -2.924 7.307 870 HE3 LYS 106 HE1 LYS 106 113.822 -2.867 6.048 871 HZ1 LYS 106 HZ1 LYS 106 114.379 -3.600 8.481 872 HZ2 LYS 106 HZ2 LYS 106 114.540 -1.923 8.718 873 HZ3 LYS 106 HZ3 LYS 106 115.488 -2.717 7.551 874 H LEU 107 HN LEU 107 110.946 0.979 2.299 875 HA LEU 107 HA LEU 107 111.332 -0.879 0.021 876 HB2 LEU 107 HB2 LEU 107 109.564 1.558 0.241 877 HB3 LEU 107 HB1 LEU 107 110.206 1.051 -1.318 878 HG LEU 107 HG LEU 107 109.213 -1.206 -0.967 879 HD11 LEU 107 HD11 LEU 107 108.595 -0.046 1.683 880 HD12 LEU 107 HD12 LEU 107 108.742 -1.732 1.192 881 HD13 LEU 107 HD13 LEU 107 107.239 -0.872 0.926 882 HD21 LEU 107 HD21 LEU 107 106.794 -0.415 -1.173 883 HD22 LEU 107 HD22 LEU 107 107.931 0.325 -2.298 884 HD23 LEU 107 HD23 LEU 107 107.396 1.214 -0.872 885 H GLU 108 HN GLU 108 113.273 -0.558 -0.889 886 HA GLU 108 HA GLU 108 114.488 2.136 -0.696 887 HB2 GLU 108 HB2 GLU 108 116.706 0.931 -0.859 888 HB3 GLU 108 HB1 GLU 108 115.844 0.720 0.664 889 HG2 GLU 108 HG2 GLU 108 114.901 -1.424 -0.265 890 HG3 GLU 108 HG1 GLU 108 115.983 -1.227 -1.648 891 H ILE 109 HN ILE 109 114.676 3.112 -2.615 892 HA ILE 109 HA ILE 109 114.560 1.421 -5.034 893 HB ILE 109 HB ILE 109 114.142 4.399 -4.777 894 HG12 ILE 109 HG12 ILE 109 112.048 2.210 -4.916 895 HG13 ILE 109 HG11 ILE 109 112.483 3.065 -3.447 896 HG21 ILE 109 HG21 ILE 109 113.902 2.365 -6.987 897 HG22 ILE 109 HG22 ILE 109 114.565 3.991 -7.047 898 HG23 ILE 109 HG23 ILE 109 112.823 3.751 -6.999 899 HD11 ILE 109 HD11 ILE 109 110.465 4.015 -4.589 900 HD12 ILE 109 HD12 ILE 109 111.491 4.438 -5.958 901 HD13 ILE 109 HD13 ILE 109 111.771 5.177 -4.382 902 H GLN 110 HN GLN 110 116.519 0.931 -5.671 903 HA GLN 110 HA GLN 110 118.825 2.587 -5.256 904 HB2 GLN 110 HB2 GLN 110 118.459 0.147 -7.009 905 HB3 GLN 110 HB1 GLN 110 120.007 0.925 -6.670 906 HG2 GLN 110 HG2 GLN 110 119.689 0.535 -4.259 907 HG3 GLN 110 HG1 GLN 110 118.145 -0.252 -4.591 908 HE21 GLN 110 HE21 GLN 110 119.608 -2.022 -3.365 909 HE22 GLN 110 HE22 GLN 110 120.444 -3.076 -4.399 910 H GLN 111 HN GLN 111 119.625 1.694 -8.212 911 HA GLN 111 HA GLN 111 118.226 3.731 -9.743 912 HB2 GLN 111 HB2 GLN 111 120.211 5.027 -10.244 913 HB3 GLN 111 HB1 GLN 111 119.974 4.975 -8.499 914 HG2 GLN 111 HG2 GLN 111 121.582 3.036 -8.418 915 HG3 GLN 111 HG1 GLN 111 121.925 3.324 -10.123 916 HE21 GLN 111 HE21 GLN 111 121.271 6.338 -9.020 917 HE22 GLN 111 HE22 GLN 111 122.827 6.834 -8.559 918 H LEU 112 HN LEU 112 118.658 3.703 -11.981 919 HA LEU 112 HA LEU 112 119.917 1.211 -12.974 920 HB2 LEU 112 HB2 LEU 112 117.426 1.488 -13.351 921 HB3 LEU 112 HB1 LEU 112 117.808 2.898 -14.335 922 HG LEU 112 HG LEU 112 119.228 1.484 -15.787 923 HD11 LEU 112 HD11 LEU 112 118.536 -1.112 -15.417 924 HD12 LEU 112 HD12 LEU 112 118.489 -0.565 -13.744 925 HD13 LEU 112 HD13 LEU 112 119.970 -0.393 -14.683 926 HD21 LEU 112 HD21 LEU 112 116.864 1.937 -16.345 927 HD22 LEU 112 HD22 LEU 112 116.378 0.490 -15.459 928 HD23 LEU 112 HD23 LEU 112 117.361 0.343 -16.918 929 H GLU 113 HN GLU 113 121.799 1.562 -14.044 930 HA GLU 113 HA GLU 113 122.467 4.264 -14.940 931 HB2 GLU 113 HB2 GLU 113 124.040 1.680 -14.910 932 HB3 GLU 113 HB1 GLU 113 124.658 3.197 -15.560 933 HG2 GLU 113 HG2 GLU 113 124.301 4.286 -13.381 934 HG3 GLU 113 HG1 GLU 113 123.666 2.777 -12.728 935 H HIS 114 HN HIS 114 121.960 4.960 -16.892 936 HA HIS 114 HA HIS 114 121.139 3.101 -18.968 937 HB2 HIS 114 HB2 HIS 114 121.377 6.119 -19.058 938 HB3 HIS 114 HB1 HIS 114 120.549 5.098 -20.231 939 HD1 HIS 114 HD1 HIS 114 118.515 3.591 -19.135 940 HD2 HIS 114 HD2 HIS 114 119.730 6.963 -17.005 941 HE1 HIS 114 HE1 HIS 114 116.643 4.132 -17.521 942 H HIS 115 HN HIS 115 122.291 2.498 -20.704 943 HA HIS 115 HA HIS 115 125.110 3.160 -20.804 944 HB2 HIS 115 HB2 HIS 115 125.190 1.532 -22.636 945 HB3 HIS 115 HB1 HIS 115 124.305 0.872 -21.262 946 HD1 HIS 115 HD1 HIS 115 123.717 -0.302 -24.014 947 HD2 HIS 115 HD2 HIS 115 121.624 2.956 -22.467 948 HE1 HIS 115 HE1 HIS 115 121.462 -0.276 -25.175 949 H HIS 116 HN HIS 116 124.442 2.666 -23.915 950 HA HIS 116 HA HIS 116 123.678 5.371 -24.698 951 HB2 HIS 116 HB2 HIS 116 125.768 5.717 -25.976 952 HB3 HIS 116 HB1 HIS 116 126.065 5.615 -24.240 953 HD1 HIS 116 HD1 HIS 116 125.528 2.324 -24.513 954 HD2 HIS 116 HD2 HIS 116 128.473 4.660 -26.309 955 HE1 HIS 116 HE1 HIS 116 127.408 0.749 -25.138 956 H HIS 117 HN HIS 117 123.538 5.597 -27.046 957 HA HIS 117 HA HIS 117 122.280 3.346 -28.278 958 HB2 HIS 117 HB2 HIS 117 123.188 5.994 -29.432 959 HB3 HIS 117 HB1 HIS 117 122.124 4.841 -30.244 960 HD1 HIS 117 HD1 HIS 117 119.842 4.268 -28.844 961 HD2 HIS 117 HD2 HIS 117 121.842 7.771 -27.785 962 HE1 HIS 117 HE1 HIS 117 118.176 5.682 -27.564 963 H HIS 118 HN HIS 118 122.994 2.015 -29.894 964 HA HIS 118 HA HIS 118 125.841 1.632 -30.088 965 HB2 HIS 118 HB2 HIS 118 125.329 -0.335 -31.337 966 HB3 HIS 118 HB1 HIS 118 124.111 -0.216 -30.069 967 HD1 HIS 118 HD1 HIS 118 124.022 -1.403 -33.211 968 HD2 HIS 118 HD2 HIS 118 122.006 1.851 -31.562 969 HE1 HIS 118 HE1 HIS 118 122.023 -0.975 -34.699 970 H HIS 119 HN HIS 119 127.188 2.127 -31.704 971 HA HIS 119 HA HIS 119 128.006 3.300 -33.496 972 HB2 HIS 119 HB2 HIS 119 126.840 1.322 -34.578 973 HB3 HIS 119 HB1 HIS 119 125.486 2.406 -34.907 974 HD1 HIS 119 HD1 HIS 119 125.829 4.243 -36.702 975 HD2 HIS 119 HD2 HIS 119 129.219 1.902 -36.055 976 HE1 HIS 119 HE1 HIS 119 127.469 4.820 -38.549 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 85.271 11.902 -12.457 2 H2 ARG 1 HT2 ARG 1 84.822 10.264 -12.455 3 H3 ARG 1 HT3 ARG 1 83.650 11.469 -12.210 4 HA ARG 1 HA ARG 1 83.484 11.988 -14.390 5 HB2 ARG 1 HB2 ARG 1 85.878 12.697 -14.466 6 HB3 ARG 1 HB1 ARG 1 86.336 11.018 -14.754 7 HG2 ARG 1 HG2 ARG 1 84.938 11.003 -16.803 8 HG3 ARG 1 HG1 ARG 1 84.534 12.697 -16.523 9 HD2 ARG 1 HD2 ARG 1 86.996 13.216 -16.580 10 HD3 ARG 1 HD1 ARG 1 87.282 11.547 -17.064 11 HE ARG 1 HE ARG 1 86.162 13.666 -18.711 12 HH11 ARG 1 HH11 ARG 1 88.206 11.757 -19.738 13 HH12 ARG 1 HH12 ARG 1 87.272 10.695 -20.736 14 HH21 ARG 1 HH21 ARG 1 84.234 11.634 -19.351 15 HH22 ARG 1 HH22 ARG 1 85.023 10.622 -20.514 16 H MET 2 HN MET 2 82.809 10.714 -16.169 17 HA MET 2 HA MET 2 82.687 7.826 -15.582 18 HB2 MET 2 HB2 MET 2 80.579 9.098 -15.929 19 HB3 MET 2 HB1 MET 2 81.106 9.475 -17.569 20 HG2 MET 2 HG2 MET 2 81.209 7.063 -18.093 21 HG3 MET 2 HG1 MET 2 80.685 6.686 -16.452 22 HE1 MET 2 HE1 MET 2 79.767 7.335 -19.976 23 HE2 MET 2 HE2 MET 2 79.799 9.023 -19.472 24 HE3 MET 2 HE3 MET 2 78.277 8.288 -19.970 25 H ALA 3 HN ALA 3 84.967 7.628 -16.307 26 HA ALA 3 HA ALA 3 85.085 6.647 -18.986 27 HB1 ALA 3 HB1 ALA 3 86.489 9.252 -18.366 28 HB2 ALA 3 HB2 ALA 3 85.346 8.923 -19.668 29 HB3 ALA 3 HB3 ALA 3 86.955 8.204 -19.705 30 H HIS 4 HN HIS 4 86.573 5.055 -19.047 31 HA HIS 4 HA HIS 4 88.981 5.182 -17.414 32 HB2 HIS 4 HB2 HIS 4 88.502 3.043 -16.267 33 HB3 HIS 4 HB1 HIS 4 87.356 4.306 -15.814 34 HD1 HIS 4 HD1 HIS 4 84.953 4.188 -16.956 35 HD2 HIS 4 HD2 HIS 4 87.355 0.840 -17.573 36 HE1 HIS 4 HE1 HIS 4 83.425 2.358 -17.816 37 H GLU 5 HN GLU 5 90.575 3.718 -18.052 38 HA GLU 5 HA GLU 5 90.487 2.916 -20.780 39 HB2 GLU 5 HB2 GLU 5 92.711 1.978 -20.361 40 HB3 GLU 5 HB1 GLU 5 92.572 3.589 -19.659 41 HG2 GLU 5 HG2 GLU 5 92.018 2.518 -17.459 42 HG3 GLU 5 HG1 GLU 5 92.343 0.948 -18.191 43 H GLY 6 HN GLY 6 90.183 1.161 -17.728 44 HA2 GLY 6 HA2 GLY 6 88.687 -0.948 -18.937 45 HA3 GLY 6 HA1 GLY 6 90.337 -1.460 -18.585 46 H ALA 7 HN ALA 7 87.545 -2.034 -17.382 47 HA ALA 7 HA ALA 7 87.567 -1.023 -14.727 48 HB1 ALA 7 HB1 ALA 7 85.617 -2.095 -16.020 49 HB2 ALA 7 HB2 ALA 7 85.772 -2.490 -14.309 50 HB3 ALA 7 HB3 ALA 7 86.311 -3.641 -15.532 51 H LEU 8 HN LEU 8 88.401 -1.836 -12.846 52 HA LEU 8 HA LEU 8 90.613 -3.668 -13.073 53 HB2 LEU 8 HB2 LEU 8 89.302 -2.393 -10.656 54 HB3 LEU 8 HB1 LEU 8 90.748 -3.393 -10.586 55 HG LEU 8 HG LEU 8 91.360 -1.026 -10.589 56 HD11 LEU 8 HD11 LEU 8 93.125 -1.233 -12.046 57 HD12 LEU 8 HD12 LEU 8 92.122 -1.822 -13.372 58 HD13 LEU 8 HD13 LEU 8 92.583 -2.909 -12.062 59 HD21 LEU 8 HD21 LEU 8 90.636 0.535 -12.151 60 HD22 LEU 8 HD22 LEU 8 89.200 -0.475 -12.010 61 HD23 LEU 8 HD23 LEU 8 90.292 -0.682 -13.380 62 H THR 9 HN THR 9 90.720 -5.778 -12.404 63 HA THR 9 HA THR 9 88.256 -7.234 -12.268 64 HB THR 9 HB THR 9 91.009 -8.273 -11.591 65 HG1 THR 9 HG1 THR 9 89.848 -7.470 -13.981 66 HG21 THR 9 HG21 THR 9 90.111 -10.393 -12.183 67 HG22 THR 9 HG22 THR 9 88.693 -9.666 -12.937 68 HG23 THR 9 HG23 THR 9 88.870 -9.639 -11.183 69 H GLY 10 HN GLY 10 87.193 -8.048 -10.537 70 HA2 GLY 10 HA2 GLY 10 88.116 -8.636 -8.003 71 HA3 GLY 10 HA1 GLY 10 87.690 -6.927 -7.950 72 H VAL 11 HN VAL 11 86.480 -9.676 -6.954 73 HA VAL 11 HA VAL 11 83.780 -9.477 -8.076 74 HB VAL 11 HB VAL 11 84.730 -11.282 -5.841 75 HG11 VAL 11 HG11 VAL 11 82.812 -12.620 -6.463 76 HG12 VAL 11 HG12 VAL 11 82.485 -11.583 -7.851 77 HG13 VAL 11 HG13 VAL 11 82.264 -10.963 -6.215 78 HG21 VAL 11 HG21 VAL 11 84.642 -11.866 -8.819 79 HG22 VAL 11 HG22 VAL 11 85.137 -12.981 -7.545 80 HG23 VAL 11 HG23 VAL 11 86.120 -11.561 -7.907 81 H THR 12 HN THR 12 82.221 -8.273 -7.178 82 HA THR 12 HA THR 12 82.622 -6.596 -4.976 83 HB THR 12 HB THR 12 80.137 -6.319 -5.011 84 HG1 THR 12 HG1 THR 12 80.117 -8.049 -7.220 85 HG21 THR 12 HG21 THR 12 81.467 -6.335 -7.738 86 HG22 THR 12 HG22 THR 12 81.614 -5.046 -6.543 87 HG23 THR 12 HG23 THR 12 80.050 -5.389 -7.281 88 H THR 13 HN THR 13 79.973 -8.921 -4.830 89 HA THR 13 HA THR 13 79.419 -10.526 -3.280 90 HB THR 13 HB THR 13 81.942 -10.123 -1.705 91 HG1 THR 13 HG1 THR 13 82.996 -10.261 -3.509 92 HG21 THR 13 HG21 THR 13 80.672 -12.676 -2.705 93 HG22 THR 13 HG22 THR 13 80.104 -11.863 -1.247 94 HG23 THR 13 HG23 THR 13 81.761 -12.461 -1.333 95 H ASP 14 HN ASP 14 77.760 -9.399 -2.402 96 HA ASP 14 HA ASP 14 78.189 -7.283 -0.468 97 HB2 ASP 14 HB2 ASP 14 75.755 -7.125 -0.442 98 HB3 ASP 14 HB1 ASP 14 76.340 -7.195 -2.102 99 H GLN 15 HN GLN 15 77.638 -7.305 1.693 100 HA GLN 15 HA GLN 15 76.896 -9.859 2.961 101 HB2 GLN 15 HB2 GLN 15 79.366 -8.223 3.563 102 HB3 GLN 15 HB1 GLN 15 78.666 -9.338 4.736 103 HG2 GLN 15 HG2 GLN 15 79.422 -10.164 1.923 104 HG3 GLN 15 HG1 GLN 15 80.514 -10.319 3.298 105 HE21 GLN 15 HE21 GLN 15 79.134 -12.481 1.627 106 HE22 GLN 15 HE22 GLN 15 78.313 -13.433 2.768 107 H LYS 16 HN LYS 16 76.065 -9.596 5.103 108 HA LYS 16 HA LYS 16 75.174 -6.842 5.784 109 HB2 LYS 16 HB2 LYS 16 73.415 -8.512 4.816 110 HB3 LYS 16 HB1 LYS 16 73.550 -9.321 6.374 111 HG2 LYS 16 HG2 LYS 16 71.814 -7.839 6.836 112 HG3 LYS 16 HG1 LYS 16 73.190 -6.855 7.326 113 HD2 LYS 16 HD2 LYS 16 73.208 -5.790 5.086 114 HD3 LYS 16 HD1 LYS 16 71.806 -6.756 4.628 115 HE2 LYS 16 HE2 LYS 16 71.793 -4.949 7.052 116 HE3 LYS 16 HE1 LYS 16 71.318 -4.381 5.451 117 HZ1 LYS 16 HZ1 LYS 16 69.427 -5.576 5.486 118 HZ2 LYS 16 HZ2 LYS 16 69.625 -5.483 7.172 119 HZ3 LYS 16 HZ3 LYS 16 70.115 -6.875 6.330 120 H GLU 17 HN GLU 17 77.297 -8.991 6.580 121 HA GLU 17 HA GLU 17 76.821 -8.945 9.509 122 HB2 GLU 17 HB2 GLU 17 78.409 -10.849 7.769 123 HB3 GLU 17 HB1 GLU 17 78.397 -10.885 9.533 124 HG2 GLU 17 HG2 GLU 17 76.017 -11.314 9.573 125 HG3 GLU 17 HG1 GLU 17 75.903 -11.090 7.827 126 H LYS 18 HN LYS 18 78.229 -7.831 10.716 127 HA LYS 18 HA LYS 18 80.243 -6.189 9.555 128 HB2 LYS 18 HB2 LYS 18 79.098 -5.763 11.772 129 HB3 LYS 18 HB1 LYS 18 80.101 -7.043 12.456 130 HG2 LYS 18 HG2 LYS 18 82.133 -5.826 11.857 131 HG3 LYS 18 HG1 LYS 18 81.179 -4.578 11.054 132 HD2 LYS 18 HD2 LYS 18 80.079 -4.043 13.205 133 HD3 LYS 18 HD1 LYS 18 81.067 -5.266 14.007 134 HE2 LYS 18 HE2 LYS 18 82.192 -2.898 12.487 135 HE3 LYS 18 HE1 LYS 18 81.982 -2.940 14.236 136 HZ1 LYS 18 HZ1 LYS 18 83.355 -5.240 13.199 137 HZ2 LYS 18 HZ2 LYS 18 83.774 -4.215 14.487 138 HZ3 LYS 18 HZ3 LYS 18 84.177 -3.789 12.892 139 H GLN 19 HN GLN 19 82.353 -6.633 9.051 140 HA GLN 19 HA GLN 19 83.298 -9.363 9.489 141 HB2 GLN 19 HB2 GLN 19 84.567 -7.059 7.993 142 HB3 GLN 19 HB1 GLN 19 85.099 -8.737 7.962 143 HG2 GLN 19 HG2 GLN 19 82.888 -9.387 7.026 144 HG3 GLN 19 HG1 GLN 19 82.436 -7.682 6.990 145 HE21 GLN 19 HE21 GLN 19 83.234 -9.908 4.835 146 HE22 GLN 19 HE22 GLN 19 84.248 -9.032 3.794 147 H LYS 20 HN LYS 20 85.545 -9.720 10.128 148 HA LYS 20 HA LYS 20 86.202 -8.194 12.509 149 HB2 LYS 20 HB2 LYS 20 87.600 -10.582 11.282 150 HB3 LYS 20 HB1 LYS 20 87.854 -9.941 12.907 151 HG2 LYS 20 HG2 LYS 20 85.350 -10.318 13.289 152 HG3 LYS 20 HG1 LYS 20 85.368 -11.263 11.801 153 HD2 LYS 20 HD2 LYS 20 87.082 -11.778 14.249 154 HD3 LYS 20 HD1 LYS 20 85.671 -12.719 13.768 155 HE2 LYS 20 HE2 LYS 20 88.369 -12.549 12.437 156 HE3 LYS 20 HE1 LYS 20 87.459 -13.983 12.907 157 HZ1 LYS 20 HZ1 LYS 20 87.153 -12.270 10.556 158 HZ2 LYS 20 HZ2 LYS 20 85.753 -12.982 11.202 159 HZ3 LYS 20 HZ3 LYS 20 87.045 -13.957 10.686 160 HA PRO 21 HA PRO 21 89.051 -5.576 10.283 161 HB2 PRO 21 HB2 PRO 21 90.962 -5.385 12.465 162 HB3 PRO 21 HB1 PRO 21 89.798 -4.172 11.916 163 HG2 PRO 21 HG2 PRO 21 89.680 -5.788 14.277 164 HG3 PRO 21 HG1 PRO 21 88.527 -4.564 13.731 165 HD2 PRO 21 HD2 PRO 21 88.158 -7.419 13.761 166 HD3 PRO 21 HD1 PRO 21 87.035 -6.182 13.161 167 H ASP 22 HN ASP 22 90.869 -5.836 9.045 168 HA ASP 22 HA ASP 22 93.067 -7.490 9.719 169 HB2 ASP 22 HB2 ASP 22 91.262 -9.225 9.212 170 HB3 ASP 22 HB1 ASP 22 91.349 -8.681 7.539 171 H ILE 23 HN ILE 23 94.398 -5.951 8.979 172 HA ILE 23 HA ILE 23 93.984 -4.597 6.491 173 HB ILE 23 HB ILE 23 94.884 -3.299 8.244 174 HG12 ILE 23 HG12 ILE 23 97.341 -4.146 6.727 175 HG13 ILE 23 HG11 ILE 23 96.050 -3.188 5.994 176 HG21 ILE 23 HG21 ILE 23 96.561 -5.740 8.765 177 HG22 ILE 23 HG22 ILE 23 95.621 -4.772 9.897 178 HG23 ILE 23 HG23 ILE 23 97.164 -4.170 9.294 179 HD11 ILE 23 HD11 ILE 23 98.255 -2.299 7.579 180 HD12 ILE 23 HD12 ILE 23 96.773 -1.936 8.468 181 HD13 ILE 23 HD13 ILE 23 96.994 -1.330 6.824 182 H VAL 24 HN VAL 24 94.894 -4.972 4.582 183 HA VAL 24 HA VAL 24 96.965 -7.090 4.312 184 HB VAL 24 HB VAL 24 94.876 -7.881 3.356 185 HG11 VAL 24 HG11 VAL 24 93.658 -6.611 1.677 186 HG12 VAL 24 HG12 VAL 24 94.871 -5.331 1.721 187 HG13 VAL 24 HG13 VAL 24 93.841 -5.620 3.123 188 HG21 VAL 24 HG21 VAL 24 95.621 -8.357 1.138 189 HG22 VAL 24 HG22 VAL 24 97.092 -8.146 2.086 190 HG23 VAL 24 HG23 VAL 24 96.525 -6.846 1.040 191 H LEU 25 HN LEU 25 98.755 -6.554 3.043 192 HA LEU 25 HA LEU 25 98.775 -4.260 1.308 193 HB2 LEU 25 HB2 LEU 25 99.948 -4.044 4.073 194 HB3 LEU 25 HB1 LEU 25 100.778 -3.236 2.774 195 HG LEU 25 HG LEU 25 98.124 -2.450 2.344 196 HD11 LEU 25 HD11 LEU 25 97.810 -3.495 4.696 197 HD12 LEU 25 HD12 LEU 25 97.106 -1.923 4.367 198 HD13 LEU 25 HD13 LEU 25 98.610 -2.051 5.282 199 HD21 LEU 25 HD21 LEU 25 100.416 -1.108 3.794 200 HD22 LEU 25 HD22 LEU 25 98.923 -0.275 3.369 201 HD23 LEU 25 HD23 LEU 25 99.955 -0.928 2.101 202 H TYR 26 HN TYR 26 101.610 -3.791 1.559 203 HA TYR 26 HA TYR 26 102.717 -5.363 -0.336 204 HB2 TYR 26 HB2 TYR 26 103.987 -4.090 2.073 205 HB3 TYR 26 HB1 TYR 26 104.942 -4.899 0.839 206 HD1 TYR 26 HD1 TYR 26 105.606 -3.721 -1.079 207 HD2 TYR 26 HD2 TYR 26 102.305 -2.239 1.245 208 HE1 TYR 26 HE1 TYR 26 105.528 -1.671 -2.475 209 HE2 TYR 26 HE2 TYR 26 102.221 -0.213 -0.166 210 HH TYR 26 HH TYR 26 103.057 0.836 -1.916 211 HA PRO 27 HA PRO 27 102.693 -9.292 1.970 212 HB2 PRO 27 HB2 PRO 27 103.983 -10.663 -0.231 213 HB3 PRO 27 HB1 PRO 27 102.295 -10.780 0.285 214 HG2 PRO 27 HG2 PRO 27 103.305 -9.517 -2.052 215 HG3 PRO 27 HG1 PRO 27 101.634 -9.538 -1.473 216 HD2 PRO 27 HD2 PRO 27 103.538 -7.324 -1.432 217 HD3 PRO 27 HD1 PRO 27 101.806 -7.312 -1.043 218 H GLU 28 HN GLU 28 105.288 -7.610 0.475 219 HA GLU 28 HA GLU 28 107.124 -8.262 2.555 220 HB2 GLU 28 HB2 GLU 28 108.803 -9.392 1.049 221 HB3 GLU 28 HB1 GLU 28 107.356 -10.352 1.351 222 HG2 GLU 28 HG2 GLU 28 106.403 -9.646 -0.785 223 HG3 GLU 28 HG1 GLU 28 107.789 -8.598 -1.082 224 HA PRO 29 HA PRO 29 108.772 -4.344 1.270 225 HB2 PRO 29 HB2 PRO 29 111.570 -5.122 1.339 226 HB3 PRO 29 HB1 PRO 29 110.673 -4.173 2.534 227 HG2 PRO 29 HG2 PRO 29 111.465 -6.976 2.632 228 HG3 PRO 29 HG1 PRO 29 110.857 -5.942 3.931 229 HD2 PRO 29 HD2 PRO 29 109.431 -8.032 2.774 230 HD3 PRO 29 HD1 PRO 29 108.697 -6.691 3.670 231 H VAL 30 HN VAL 30 109.554 -3.355 -0.665 232 HA VAL 30 HA VAL 30 110.569 -5.177 -2.764 233 HB VAL 30 HB VAL 30 108.252 -3.254 -3.062 234 HG11 VAL 30 HG11 VAL 30 109.466 -2.936 -5.055 235 HG12 VAL 30 HG12 VAL 30 108.378 -4.252 -5.491 236 HG13 VAL 30 HG13 VAL 30 110.054 -4.595 -5.081 237 HG21 VAL 30 HG21 VAL 30 107.548 -5.395 -2.198 238 HG22 VAL 30 HG22 VAL 30 108.571 -6.258 -3.347 239 HG23 VAL 30 HG23 VAL 30 107.154 -5.376 -3.917 240 H ARG 31 HN ARG 31 112.019 -4.326 -4.141 241 HA ARG 31 HA ARG 31 112.644 -1.444 -3.972 242 HB2 ARG 31 HB2 ARG 31 115.027 -1.949 -3.899 243 HB3 ARG 31 HB1 ARG 31 114.229 -2.705 -2.522 244 HG2 ARG 31 HG2 ARG 31 114.155 -4.852 -3.775 245 HG3 ARG 31 HG1 ARG 31 115.024 -4.085 -5.106 246 HD2 ARG 31 HD2 ARG 31 116.595 -5.292 -3.667 247 HD3 ARG 31 HD1 ARG 31 116.892 -3.558 -3.582 248 HE ARG 31 HE ARG 31 116.166 -3.576 -1.361 249 HH11 ARG 31 HH11 ARG 31 114.192 -4.533 -0.187 250 HH12 ARG 31 HH12 ARG 31 114.294 -6.244 0.059 251 HH21 ARG 31 HH21 ARG 31 116.843 -6.686 -2.253 252 HH22 ARG 31 HH22 ARG 31 115.795 -7.467 -1.117 253 H VAL 32 HN VAL 32 113.190 -0.544 -5.905 254 HA VAL 32 HA VAL 32 113.435 -2.350 -8.244 255 HB VAL 32 HB VAL 32 111.199 -0.879 -7.804 256 HG11 VAL 32 HG11 VAL 32 112.737 0.963 -9.631 257 HG12 VAL 32 HG12 VAL 32 112.685 1.229 -7.894 258 HG13 VAL 32 HG13 VAL 32 111.196 1.244 -8.824 259 HG21 VAL 32 HG21 VAL 32 111.100 -2.310 -9.635 260 HG22 VAL 32 HG22 VAL 32 112.597 -1.705 -10.332 261 HG23 VAL 32 HG23 VAL 32 111.117 -0.756 -10.465 262 H LEU 33 HN LEU 33 114.141 -0.629 -10.176 263 HA LEU 33 HA LEU 33 116.521 0.809 -9.137 264 HB2 LEU 33 HB2 LEU 33 116.295 -0.711 -11.748 265 HB3 LEU 33 HB1 LEU 33 117.723 0.118 -11.134 266 HG LEU 33 HG LEU 33 116.356 -2.237 -9.800 267 HD11 LEU 33 HD11 LEU 33 119.046 -2.099 -11.186 268 HD12 LEU 33 HD12 LEU 33 117.580 -2.702 -11.959 269 HD13 LEU 33 HD13 LEU 33 118.244 -3.538 -10.556 270 HD21 LEU 33 HD21 LEU 33 118.717 -0.501 -9.073 271 HD22 LEU 33 HD22 LEU 33 118.649 -2.174 -8.530 272 HD23 LEU 33 HD23 LEU 33 117.392 -1.041 -8.048 273 H GLU 34 HN GLU 34 117.019 2.779 -10.179 274 HA GLU 34 HA GLU 34 114.886 4.302 -11.126 275 HB2 GLU 34 HB2 GLU 34 117.083 5.248 -10.378 276 HB3 GLU 34 HB1 GLU 34 117.793 4.688 -11.893 277 HG2 GLU 34 HG2 GLU 34 116.113 6.048 -13.148 278 HG3 GLU 34 HG1 GLU 34 115.498 6.653 -11.612 279 H GLY 35 HN GLY 35 113.833 4.390 -13.024 280 HA2 GLY 35 HA2 GLY 35 113.791 4.407 -15.430 281 HA3 GLY 35 HA1 GLY 35 115.128 3.262 -15.440 282 H GLU 36 HN GLU 36 113.402 2.088 -13.029 283 HA GLU 36 HA GLU 36 111.761 0.316 -14.758 284 HB2 GLU 36 HB2 GLU 36 112.987 -0.179 -12.035 285 HB3 GLU 36 HB1 GLU 36 111.971 -1.324 -12.910 286 HG2 GLU 36 HG2 GLU 36 113.609 -1.308 -14.778 287 HG3 GLU 36 HG1 GLU 36 114.629 -0.214 -13.844 288 H THR 37 HN THR 37 109.612 0.585 -14.591 289 HA THR 37 HA THR 37 108.476 2.225 -12.504 290 HB THR 37 HB THR 37 107.520 2.353 -14.728 291 HG1 THR 37 HG1 THR 37 105.461 0.964 -13.611 292 HG21 THR 37 HG21 THR 37 106.359 0.383 -15.704 293 HG22 THR 37 HG22 THR 37 106.957 -0.604 -14.370 294 HG23 THR 37 HG23 THR 37 108.091 0.108 -15.517 295 H ALA 38 HN ALA 38 107.071 1.582 -10.856 296 HA ALA 38 HA ALA 38 107.055 -1.326 -10.247 297 HB1 ALA 38 HB1 ALA 38 106.780 0.700 -8.061 298 HB2 ALA 38 HB2 ALA 38 108.374 0.459 -8.766 299 HB3 ALA 38 HB3 ALA 38 107.523 -0.897 -8.028 300 H ARG 39 HN ARG 39 105.242 -1.920 -8.713 301 HA ARG 39 HA ARG 39 102.801 -0.318 -9.048 302 HB2 ARG 39 HB2 ARG 39 103.082 -3.166 -10.035 303 HB3 ARG 39 HB1 ARG 39 101.543 -2.331 -9.826 304 HG2 ARG 39 HG2 ARG 39 102.293 -0.579 -11.414 305 HG3 ARG 39 HG1 ARG 39 103.801 -1.465 -11.653 306 HD2 ARG 39 HD2 ARG 39 102.528 -3.423 -12.448 307 HD3 ARG 39 HD1 ARG 39 101.025 -2.531 -12.230 308 HE ARG 39 HE ARG 39 102.896 -1.160 -13.937 309 HH11 ARG 39 HH11 ARG 39 99.798 -1.470 -14.108 310 HH12 ARG 39 HH12 ARG 39 99.653 -2.316 -15.613 311 HH21 ARG 39 HH21 ARG 39 103.004 -3.207 -15.736 312 HH22 ARG 39 HH22 ARG 39 101.471 -3.300 -16.536 313 H PHE 40 HN PHE 40 101.680 -0.323 -7.206 314 HA PHE 40 HA PHE 40 101.794 -2.691 -5.446 315 HB2 PHE 40 HB2 PHE 40 102.152 0.133 -4.455 316 HB3 PHE 40 HB1 PHE 40 102.174 -1.330 -3.486 317 HD1 PHE 40 HD1 PHE 40 103.895 -3.197 -4.599 318 HD2 PHE 40 HD2 PHE 40 104.251 1.084 -4.818 319 HE1 PHE 40 HE1 PHE 40 106.339 -3.408 -4.924 320 HE2 PHE 40 HE2 PHE 40 106.694 0.861 -5.156 321 HZ PHE 40 HZ PHE 40 107.737 -1.383 -5.214 322 H ARG 41 HN ARG 41 100.046 -2.883 -4.028 323 HA ARG 41 HA ARG 41 97.765 -1.040 -4.417 324 HB2 ARG 41 HB2 ARG 41 96.236 -2.988 -4.477 325 HB3 ARG 41 HB1 ARG 41 97.337 -2.985 -5.855 326 HG2 ARG 41 HG2 ARG 41 98.802 -4.591 -4.705 327 HG3 ARG 41 HG1 ARG 41 97.727 -4.588 -3.308 328 HD2 ARG 41 HD2 ARG 41 95.893 -5.447 -4.705 329 HD3 ARG 41 HD1 ARG 41 96.959 -5.447 -6.109 330 HE ARG 41 HE ARG 41 98.173 -6.946 -4.051 331 HH11 ARG 41 HH11 ARG 41 95.020 -7.163 -5.302 332 HH12 ARG 41 HH12 ARG 41 95.139 -8.829 -5.756 333 HH21 ARG 41 HH21 ARG 41 98.525 -9.058 -5.035 334 HH22 ARG 41 HH22 ARG 41 97.127 -9.904 -5.607 335 H CYS 42 HN CYS 42 96.243 -1.110 -2.603 336 HA CYS 42 HA CYS 42 97.092 -2.545 -0.213 337 HB2 CYS 42 HB2 CYS 42 98.504 -0.698 0.130 338 HB3 CYS 42 HB1 CYS 42 97.333 0.441 -0.529 339 HG CYS 42 HG CYS 42 96.803 0.794 1.885 340 H ARG 43 HN ARG 43 95.304 -3.278 0.719 341 HA ARG 43 HA ARG 43 92.833 -1.638 0.599 342 HB2 ARG 43 HB2 ARG 43 93.038 -4.661 0.444 343 HB3 ARG 43 HB1 ARG 43 91.541 -3.736 0.534 344 HG2 ARG 43 HG2 ARG 43 92.069 -2.627 -1.593 345 HG3 ARG 43 HG1 ARG 43 93.598 -3.505 -1.680 346 HD2 ARG 43 HD2 ARG 43 91.916 -4.633 -3.061 347 HD3 ARG 43 HD1 ARG 43 92.353 -5.647 -1.690 348 HE ARG 43 HE ARG 43 90.202 -5.351 -0.827 349 HH11 ARG 43 HH11 ARG 43 88.373 -3.880 -0.556 350 HH12 ARG 43 HH12 ARG 43 87.788 -3.077 -1.975 351 HH21 ARG 43 HH21 ARG 43 90.469 -4.034 -3.952 352 HH22 ARG 43 HH22 ARG 43 88.971 -3.167 -3.894 353 H VAL 44 HN VAL 44 91.241 -2.540 2.482 354 HA VAL 44 HA VAL 44 92.792 -3.417 4.795 355 HB VAL 44 HB VAL 44 92.802 -1.054 5.153 356 HG11 VAL 44 HG11 VAL 44 91.382 -0.318 3.371 357 HG12 VAL 44 HG12 VAL 44 90.669 0.285 4.867 358 HG13 VAL 44 HG13 VAL 44 89.980 -1.130 4.069 359 HG21 VAL 44 HG21 VAL 44 91.789 -2.454 7.029 360 HG22 VAL 44 HG22 VAL 44 90.209 -1.905 6.464 361 HG23 VAL 44 HG23 VAL 44 91.388 -0.738 7.053 362 H THR 45 HN THR 45 90.906 -3.977 6.578 363 HA THR 45 HA THR 45 88.447 -4.796 5.169 364 HB THR 45 HB THR 45 88.512 -7.019 6.083 365 HG1 THR 45 HG1 THR 45 89.624 -7.281 7.816 366 HG21 THR 45 HG21 THR 45 89.648 -6.788 3.952 367 HG22 THR 45 HG22 THR 45 90.555 -7.921 4.954 368 HG23 THR 45 HG23 THR 45 91.130 -6.268 4.752 369 H GLY 46 HN GLY 46 86.652 -5.111 6.553 370 HA2 GLY 46 HA2 GLY 46 86.289 -5.230 9.177 371 HA3 GLY 46 HA1 GLY 46 86.808 -3.552 9.025 372 H TYR 47 HN TYR 47 85.526 -2.100 7.800 373 HA TYR 47 HA TYR 47 82.772 -2.965 7.199 374 HB2 TYR 47 HB2 TYR 47 83.208 -1.714 9.476 375 HB3 TYR 47 HB1 TYR 47 83.301 -0.282 8.458 376 HD1 TYR 47 HD1 TYR 47 81.145 -3.343 8.831 377 HD2 TYR 47 HD2 TYR 47 81.304 0.897 8.141 378 HE1 TYR 47 HE1 TYR 47 78.665 -3.252 8.793 379 HE2 TYR 47 HE2 TYR 47 78.828 0.985 8.104 380 HH TYR 47 HH TYR 47 76.924 -1.145 7.515 381 HA PRO 48 HA PRO 48 83.685 -0.854 3.368 382 HB2 PRO 48 HB2 PRO 48 80.962 0.077 2.972 383 HB3 PRO 48 HB1 PRO 48 81.801 -1.242 2.145 384 HG2 PRO 48 HG2 PRO 48 79.762 -1.419 4.153 385 HG3 PRO 48 HG1 PRO 48 80.571 -2.735 3.296 386 HD2 PRO 48 HD2 PRO 48 80.898 -2.007 6.048 387 HD3 PRO 48 HD1 PRO 48 81.787 -3.251 5.149 388 H GLN 49 HN GLN 49 84.204 1.202 2.723 389 HA GLN 49 HA GLN 49 84.633 3.413 2.833 390 HB2 GLN 49 HB2 GLN 49 81.900 3.424 4.127 391 HB3 GLN 49 HB1 GLN 49 82.818 4.894 3.835 392 HG2 GLN 49 HG2 GLN 49 81.397 4.645 1.943 393 HG3 GLN 49 HG1 GLN 49 82.991 4.140 1.394 394 HE21 GLN 49 HE21 GLN 49 83.381 1.698 1.388 395 HE22 GLN 49 HE22 GLN 49 82.051 0.678 1.120 396 HA PRO 50 HA PRO 50 86.061 3.167 7.231 397 HB2 PRO 50 HB2 PRO 50 88.761 2.601 6.334 398 HB3 PRO 50 HB1 PRO 50 87.670 1.529 7.226 399 HG2 PRO 50 HG2 PRO 50 88.485 1.106 4.628 400 HG3 PRO 50 HG1 PRO 50 87.006 0.434 5.339 401 HD2 PRO 50 HD2 PRO 50 87.315 2.852 3.569 402 HD3 PRO 50 HD1 PRO 50 86.062 1.594 3.554 403 H LYS 51 HN LYS 51 88.554 4.199 7.806 404 HA LYS 51 HA LYS 51 88.860 6.687 6.253 405 HB2 LYS 51 HB2 LYS 51 87.337 7.088 8.207 406 HB3 LYS 51 HB1 LYS 51 88.672 6.653 9.272 407 HG2 LYS 51 HG2 LYS 51 90.046 8.450 8.337 408 HG3 LYS 51 HG1 LYS 51 88.768 8.867 7.198 409 HD2 LYS 51 HD2 LYS 51 88.343 8.898 10.195 410 HD3 LYS 51 HD1 LYS 51 88.917 10.310 9.313 411 HE2 LYS 51 HE2 LYS 51 86.854 10.019 7.808 412 HE3 LYS 51 HE1 LYS 51 86.257 8.895 9.027 413 HZ1 LYS 51 HZ1 LYS 51 86.104 11.659 9.056 414 HZ2 LYS 51 HZ2 LYS 51 87.198 11.228 10.283 415 HZ3 LYS 51 HZ3 LYS 51 85.627 10.580 10.275 416 H VAL 52 HN VAL 52 90.825 5.815 5.453 417 HA VAL 52 HA VAL 52 92.997 5.592 7.457 418 HB VAL 52 HB VAL 52 93.916 3.788 6.231 419 HG11 VAL 52 HG11 VAL 52 92.245 2.138 6.456 420 HG12 VAL 52 HG12 VAL 52 90.968 3.223 5.917 421 HG13 VAL 52 HG13 VAL 52 91.664 3.416 7.522 422 HG21 VAL 52 HG21 VAL 52 93.766 4.489 3.971 423 HG22 VAL 52 HG22 VAL 52 92.013 4.667 4.052 424 HG23 VAL 52 HG23 VAL 52 92.738 3.060 4.047 425 H ASN 53 HN ASN 53 95.167 5.922 6.481 426 HA ASN 53 HA ASN 53 95.238 7.715 4.143 427 HB2 ASN 53 HB2 ASN 53 96.457 8.382 6.836 428 HB3 ASN 53 HB1 ASN 53 96.717 9.280 5.342 429 HD21 ASN 53 HD21 ASN 53 94.918 9.419 8.121 430 HD22 ASN 53 HD22 ASN 53 93.555 10.242 7.533 431 H TRP 54 HN TRP 54 97.586 8.113 3.468 432 HA TRP 54 HA TRP 54 99.250 5.723 4.107 433 HB2 TRP 54 HB2 TRP 54 99.622 6.846 1.392 434 HB3 TRP 54 HB1 TRP 54 99.466 5.169 1.903 435 HD1 TRP 54 HD1 TRP 54 96.940 4.257 2.293 436 HE1 TRP 54 HE1 TRP 54 94.758 4.944 1.115 437 HE3 TRP 54 HE3 TRP 54 98.342 8.764 0.345 438 HZ2 TRP 54 HZ2 TRP 54 93.727 7.100 -0.423 439 HZ3 TRP 54 HZ3 TRP 54 96.735 10.110 -0.974 440 HH2 TRP 54 HH2 TRP 54 94.428 9.290 -1.359 441 H TYR 55 HN TYR 55 101.487 5.959 3.940 442 HA TYR 55 HA TYR 55 102.518 8.736 3.899 443 HB2 TYR 55 HB2 TYR 55 103.405 6.460 5.691 444 HB3 TYR 55 HB1 TYR 55 104.264 7.977 5.514 445 HD1 TYR 55 HD1 TYR 55 103.761 9.758 6.950 446 HD2 TYR 55 HD2 TYR 55 100.847 6.656 6.348 447 HE1 TYR 55 HE1 TYR 55 102.319 10.775 8.692 448 HE2 TYR 55 HE2 TYR 55 99.406 7.687 8.087 449 HH TYR 55 HH TYR 55 100.253 9.534 10.326 450 H LEU 56 HN LEU 56 103.406 8.739 1.852 451 HA LEU 56 HA LEU 56 104.830 6.375 0.894 452 HB2 LEU 56 HB2 LEU 56 104.058 9.028 -0.305 453 HB3 LEU 56 HB1 LEU 56 105.262 8.009 -1.095 454 HG LEU 56 HG LEU 56 103.578 6.105 -0.989 455 HD11 LEU 56 HD11 LEU 56 101.156 6.916 -0.750 456 HD12 LEU 56 HD12 LEU 56 101.822 8.381 -0.031 457 HD13 LEU 56 HD13 LEU 56 102.091 6.820 0.741 458 HD21 LEU 56 HD21 LEU 56 103.984 7.724 -2.976 459 HD22 LEU 56 HD22 LEU 56 102.448 8.446 -2.509 460 HD23 LEU 56 HD23 LEU 56 102.520 6.751 -2.985 461 H ASN 57 HN ASN 57 107.084 6.157 0.782 462 HA ASN 57 HA ASN 57 109.197 6.505 1.541 463 HB2 ASN 57 HB2 ASN 57 108.522 9.165 0.280 464 HB3 ASN 57 HB1 ASN 57 110.149 8.694 0.763 465 HD21 ASN 57 HD21 ASN 57 110.427 6.107 -0.083 466 HD22 ASN 57 HD22 ASN 57 110.154 5.979 -1.753 467 H GLY 58 HN GLY 58 106.754 7.670 3.236 468 HA2 GLY 58 HA2 GLY 58 106.907 8.140 5.567 469 HA3 GLY 58 HA1 GLY 58 108.481 8.887 5.295 470 H GLN 59 HN GLN 59 105.816 9.527 3.146 471 HA GLN 59 HA GLN 59 105.429 12.235 4.302 472 HB2 GLN 59 HB2 GLN 59 105.612 11.432 1.386 473 HB3 GLN 59 HB1 GLN 59 105.065 13.012 1.945 474 HG2 GLN 59 HG2 GLN 59 107.214 13.403 3.045 475 HG3 GLN 59 HG1 GLN 59 107.769 11.795 2.580 476 HE21 GLN 59 HE21 GLN 59 108.681 14.652 1.764 477 HE22 GLN 59 HE22 GLN 59 108.717 14.580 0.069 478 H LEU 60 HN LEU 60 103.411 12.507 4.966 479 HA LEU 60 HA LEU 60 101.317 10.663 4.412 480 HB2 LEU 60 HB2 LEU 60 101.548 11.844 6.547 481 HB3 LEU 60 HB1 LEU 60 101.264 13.380 5.739 482 HG LEU 60 HG LEU 60 98.998 12.661 5.116 483 HD11 LEU 60 HD11 LEU 60 98.319 10.444 6.513 484 HD12 LEU 60 HD12 LEU 60 99.991 10.042 6.153 485 HD13 LEU 60 HD13 LEU 60 98.869 10.379 4.841 486 HD21 LEU 60 HD21 LEU 60 98.034 12.828 7.298 487 HD22 LEU 60 HD22 LEU 60 99.571 13.690 7.395 488 HD23 LEU 60 HD23 LEU 60 99.431 12.058 8.051 489 H ILE 61 HN ILE 61 99.584 10.736 3.086 490 HA ILE 61 HA ILE 61 98.074 11.445 1.587 491 HB ILE 61 HB ILE 61 98.568 13.773 2.917 492 HG12 ILE 61 HG12 ILE 61 96.354 12.974 2.395 493 HG13 ILE 61 HG11 ILE 61 96.503 14.604 1.746 494 HG21 ILE 61 HG21 ILE 61 98.789 14.415 -0.028 495 HG22 ILE 61 HG22 ILE 61 100.087 14.614 1.144 496 HG23 ILE 61 HG23 ILE 61 98.627 15.579 1.278 497 HD11 ILE 61 HD11 ILE 61 95.689 13.649 -0.169 498 HD12 ILE 61 HD12 ILE 61 96.169 12.023 0.310 499 HD13 ILE 61 HD13 ILE 61 97.351 13.119 -0.413 500 H ARG 62 HN ARG 62 98.267 10.608 -0.221 501 HA ARG 62 HA ARG 62 100.542 11.218 -2.014 502 HB2 ARG 62 HB2 ARG 62 99.950 8.810 -1.701 503 HB3 ARG 62 HB1 ARG 62 98.355 9.147 -2.380 504 HG2 ARG 62 HG2 ARG 62 99.380 9.917 -4.477 505 HG3 ARG 62 HG1 ARG 62 100.987 9.653 -3.809 506 HD2 ARG 62 HD2 ARG 62 100.345 7.238 -3.497 507 HD3 ARG 62 HD1 ARG 62 98.876 7.568 -4.393 508 HE ARG 62 HE ARG 62 100.162 7.803 -6.352 509 HH11 ARG 62 HH11 ARG 62 101.649 5.597 -6.387 510 HH12 ARG 62 HH12 ARG 62 103.293 6.003 -6.027 511 HH21 ARG 62 HH21 ARG 62 102.518 9.092 -4.669 512 HH22 ARG 62 HH22 ARG 62 103.786 7.983 -5.072 513 H LYS 63 HN LYS 63 100.193 12.189 -4.032 514 HA LYS 63 HA LYS 63 97.988 13.949 -4.201 515 HB2 LYS 63 HB2 LYS 63 99.975 13.085 -6.310 516 HB3 LYS 63 HB1 LYS 63 98.816 14.392 -6.524 517 HG2 LYS 63 HG2 LYS 63 100.699 14.382 -4.165 518 HG3 LYS 63 HG1 LYS 63 101.231 14.980 -5.732 519 HD2 LYS 63 HD2 LYS 63 99.392 16.615 -5.757 520 HD3 LYS 63 HD1 LYS 63 98.815 16.016 -4.206 521 HE2 LYS 63 HE2 LYS 63 100.918 16.650 -3.137 522 HE3 LYS 63 HE1 LYS 63 101.556 17.208 -4.686 523 HZ1 LYS 63 HZ1 LYS 63 99.020 18.364 -4.156 524 HZ2 LYS 63 HZ2 LYS 63 100.506 19.133 -4.450 525 HZ3 LYS 63 HZ3 LYS 63 100.082 18.669 -2.870 526 H SER 64 HN SER 64 96.215 13.979 -5.506 527 HA SER 64 HA SER 64 94.985 11.435 -5.969 528 HB2 SER 64 HB2 SER 64 93.979 14.173 -6.756 529 HB3 SER 64 HB1 SER 64 93.026 12.705 -6.560 530 HG SER 64 HG SER 64 93.473 12.736 -4.376 531 H LYS 65 HN LYS 65 93.540 12.813 -8.291 532 HA LYS 65 HA LYS 65 93.697 11.552 -10.437 533 HB2 LYS 65 HB2 LYS 65 94.372 14.483 -10.439 534 HB3 LYS 65 HB1 LYS 65 93.946 13.579 -11.893 535 HG2 LYS 65 HG2 LYS 65 91.804 12.916 -10.855 536 HG3 LYS 65 HG1 LYS 65 92.224 13.832 -9.407 537 HD2 LYS 65 HD2 LYS 65 92.349 15.902 -10.762 538 HD3 LYS 65 HD1 LYS 65 91.891 14.980 -12.194 539 HE2 LYS 65 HE2 LYS 65 89.752 14.383 -11.158 540 HE3 LYS 65 HE1 LYS 65 90.209 15.236 -9.684 541 HZ1 LYS 65 HZ1 LYS 65 88.862 16.692 -10.942 542 HZ2 LYS 65 HZ2 LYS 65 89.730 16.393 -12.370 543 HZ3 LYS 65 HZ3 LYS 65 90.450 17.262 -11.100 544 H ARG 66 HN ARG 66 96.766 13.304 -9.647 545 HA ARG 66 HA ARG 66 98.106 12.536 -12.020 546 HB2 ARG 66 HB2 ARG 66 98.988 14.222 -10.403 547 HB3 ARG 66 HB1 ARG 66 99.316 12.916 -9.265 548 HG2 ARG 66 HG2 ARG 66 100.811 11.850 -10.939 549 HG3 ARG 66 HG1 ARG 66 100.516 13.197 -12.039 550 HD2 ARG 66 HD2 ARG 66 101.681 13.472 -9.256 551 HD3 ARG 66 HD1 ARG 66 102.634 13.451 -10.736 552 HE ARG 66 HE ARG 66 100.963 15.633 -9.773 553 HH11 ARG 66 HH11 ARG 66 100.993 17.519 -11.026 554 HH12 ARG 66 HH12 ARG 66 101.830 17.533 -12.543 555 HH21 ARG 66 HH21 ARG 66 102.766 14.201 -12.360 556 HH22 ARG 66 HH22 ARG 66 102.837 15.656 -13.296 557 H PHE 67 HN PHE 67 97.641 10.990 -8.919 558 HA PHE 67 HA PHE 67 98.573 8.415 -10.044 559 HB2 PHE 67 HB2 PHE 67 98.813 9.412 -7.190 560 HB3 PHE 67 HB1 PHE 67 99.148 7.765 -7.720 561 HD1 PHE 67 HD1 PHE 67 100.478 11.067 -7.339 562 HD2 PHE 67 HD2 PHE 67 100.908 7.437 -9.586 563 HE1 PHE 67 HE1 PHE 67 102.767 11.750 -7.994 564 HE2 PHE 67 HE2 PHE 67 103.202 8.118 -10.242 565 HZ PHE 67 HZ PHE 67 104.130 10.277 -9.447 566 H ARG 68 HN ARG 68 97.358 6.584 -9.272 567 HA ARG 68 HA ARG 68 94.556 7.216 -8.983 568 HB2 ARG 68 HB2 ARG 68 96.066 4.599 -9.053 569 HB3 ARG 68 HB1 ARG 68 94.309 4.716 -8.927 570 HG2 ARG 68 HG2 ARG 68 94.210 5.965 -11.023 571 HG3 ARG 68 HG1 ARG 68 95.969 5.941 -11.143 572 HD2 ARG 68 HD2 ARG 68 95.945 3.494 -11.280 573 HD3 ARG 68 HD1 ARG 68 94.191 3.488 -11.113 574 HE ARG 68 HE ARG 68 94.814 5.135 -13.285 575 HH11 ARG 68 HH11 ARG 68 93.833 2.020 -12.547 576 HH12 ARG 68 HH12 ARG 68 94.309 1.310 -14.053 577 HH21 ARG 68 HH21 ARG 68 95.986 4.141 -15.154 578 HH22 ARG 68 HH22 ARG 68 95.525 2.516 -15.535 579 H VAL 69 HN VAL 69 93.524 7.544 -7.134 580 HA VAL 69 HA VAL 69 94.182 5.958 -4.782 581 HB VAL 69 HB VAL 69 94.602 7.704 -3.272 582 HG11 VAL 69 HG11 VAL 69 96.466 9.001 -4.209 583 HG12 VAL 69 HG12 VAL 69 95.957 8.553 -5.842 584 HG13 VAL 69 HG13 VAL 69 96.538 7.314 -4.730 585 HG21 VAL 69 HG21 VAL 69 94.432 10.159 -4.044 586 HG22 VAL 69 HG22 VAL 69 92.921 9.305 -3.751 587 HG23 VAL 69 HG23 VAL 69 93.493 9.540 -5.403 588 H ARG 70 HN ARG 70 92.314 5.201 -4.052 589 HA ARG 70 HA ARG 70 89.854 6.834 -4.419 590 HB2 ARG 70 HB2 ARG 70 90.131 3.821 -4.253 591 HB3 ARG 70 HB1 ARG 70 88.622 4.705 -4.456 592 HG2 ARG 70 HG2 ARG 70 90.907 5.015 -6.409 593 HG3 ARG 70 HG1 ARG 70 89.722 3.722 -6.580 594 HD2 ARG 70 HD2 ARG 70 89.138 6.701 -6.555 595 HD3 ARG 70 HD1 ARG 70 89.036 5.624 -7.938 596 HE ARG 70 HE ARG 70 87.368 4.584 -5.941 597 HH11 ARG 70 HH11 ARG 70 85.300 5.557 -5.456 598 HH12 ARG 70 HH12 ARG 70 84.634 6.664 -6.609 599 HH21 ARG 70 HH21 ARG 70 87.526 6.821 -8.521 600 HH22 ARG 70 HH22 ARG 70 85.892 7.370 -8.354 601 H TYR 71 HN TYR 71 89.807 7.877 -2.493 602 HA TYR 71 HA TYR 71 90.571 6.608 -0.059 603 HB2 TYR 71 HB2 TYR 71 90.461 9.147 -0.768 604 HB3 TYR 71 HB1 TYR 71 88.805 9.050 -0.187 605 HD1 TYR 71 HD1 TYR 71 88.478 7.993 2.194 606 HD2 TYR 71 HD2 TYR 71 92.205 9.590 0.749 607 HE1 TYR 71 HE1 TYR 71 89.276 8.255 4.528 608 HE2 TYR 71 HE2 TYR 71 92.997 9.841 3.083 609 HH TYR 71 HH TYR 71 90.923 9.596 5.769 610 H ASP 72 HN ASP 72 89.308 4.688 0.047 611 HA ASP 72 HA ASP 72 86.905 4.907 1.502 612 HB2 ASP 72 HB2 ASP 72 85.372 3.910 -0.174 613 HB3 ASP 72 HB1 ASP 72 85.910 5.521 -0.637 614 H GLY 73 HN GLY 73 89.557 3.506 1.307 615 HA2 GLY 73 HA2 GLY 73 89.833 1.403 2.558 616 HA3 GLY 73 HA1 GLY 73 88.578 0.709 1.537 617 H ILE 74 HN ILE 74 89.797 2.263 -0.795 618 HA ILE 74 HA ILE 74 91.966 0.330 -1.424 619 HB ILE 74 HB ILE 74 89.982 1.752 -3.203 620 HG12 ILE 74 HG12 ILE 74 90.378 -1.204 -2.662 621 HG13 ILE 74 HG11 ILE 74 89.189 -0.208 -1.821 622 HG21 ILE 74 HG21 ILE 74 91.035 0.212 -4.960 623 HG22 ILE 74 HG22 ILE 74 92.367 0.011 -3.824 624 HG23 ILE 74 HG23 ILE 74 91.986 1.611 -4.463 625 HD11 ILE 74 HD11 ILE 74 88.062 -1.273 -3.675 626 HD12 ILE 74 HD12 ILE 74 89.328 -0.763 -4.793 627 HD13 ILE 74 HD13 ILE 74 88.254 0.435 -4.073 628 H HIS 75 HN HIS 75 93.952 1.089 -1.891 629 HA HIS 75 HA HIS 75 94.256 3.834 -2.899 630 HB2 HIS 75 HB2 HIS 75 96.367 3.285 -0.960 631 HB3 HIS 75 HB1 HIS 75 95.266 4.654 -1.055 632 HD1 HIS 75 HD1 HIS 75 96.006 1.681 0.901 633 HD2 HIS 75 HD2 HIS 75 92.625 4.021 0.219 634 HE1 HIS 75 HE1 HIS 75 94.334 1.058 2.692 635 H TYR 76 HN TYR 76 95.252 3.561 -4.785 636 HA TYR 76 HA TYR 76 97.230 1.409 -5.107 637 HB2 TYR 76 HB2 TYR 76 95.703 3.206 -6.971 638 HB3 TYR 76 HB1 TYR 76 97.203 2.475 -7.535 639 HD1 TYR 76 HD1 TYR 76 94.906 0.838 -5.090 640 HD2 TYR 76 HD2 TYR 76 96.227 1.027 -9.178 641 HE1 TYR 76 HE1 TYR 76 93.716 -1.272 -5.573 642 HE2 TYR 76 HE2 TYR 76 95.030 -1.089 -9.655 643 HH TYR 76 HH TYR 76 94.160 -3.218 -7.563 644 H LEU 77 HN LEU 77 99.315 1.764 -4.851 645 HA LEU 77 HA LEU 77 100.394 4.525 -4.977 646 HB2 LEU 77 HB2 LEU 77 101.683 2.169 -3.591 647 HB3 LEU 77 HB1 LEU 77 102.030 3.879 -3.378 648 HG LEU 77 HG LEU 77 99.420 2.521 -2.614 649 HD11 LEU 77 HD11 LEU 77 101.804 3.431 -0.993 650 HD12 LEU 77 HD12 LEU 77 101.083 1.821 -1.050 651 HD13 LEU 77 HD13 LEU 77 100.215 3.150 -0.277 652 HD21 LEU 77 HD21 LEU 77 100.452 5.340 -2.309 653 HD22 LEU 77 HD22 LEU 77 99.066 4.726 -1.417 654 HD23 LEU 77 HD23 LEU 77 99.006 4.829 -3.175 655 H ASP 78 HN ASP 78 100.883 4.597 -7.181 656 HA ASP 78 HA ASP 78 102.759 2.510 -8.179 657 HB2 ASP 78 HB2 ASP 78 100.634 4.083 -9.640 658 HB3 ASP 78 HB1 ASP 78 101.843 3.076 -10.435 659 H ILE 79 HN ILE 79 104.510 3.087 -9.325 660 HA ILE 79 HA ILE 79 105.128 5.966 -9.674 661 HB ILE 79 HB ILE 79 107.571 5.224 -9.419 662 HG12 ILE 79 HG12 ILE 79 106.274 2.931 -7.940 663 HG13 ILE 79 HG11 ILE 79 106.967 2.768 -9.551 664 HG21 ILE 79 HG21 ILE 79 105.710 5.102 -7.027 665 HG22 ILE 79 HG22 ILE 79 106.399 6.566 -7.728 666 HG23 ILE 79 HG23 ILE 79 107.449 5.383 -6.948 667 HD11 ILE 79 HD11 ILE 79 108.704 4.026 -7.464 668 HD12 ILE 79 HD12 ILE 79 109.134 2.943 -8.788 669 HD13 ILE 79 HD13 ILE 79 108.401 2.295 -7.323 670 H VAL 80 HN VAL 80 106.868 6.234 -11.545 671 HA VAL 80 HA VAL 80 106.587 4.088 -13.516 672 HB VAL 80 HB VAL 80 104.775 5.835 -13.867 673 HG11 VAL 80 HG11 VAL 80 106.412 7.719 -13.187 674 HG12 VAL 80 HG12 VAL 80 105.331 8.022 -14.546 675 HG13 VAL 80 HG13 VAL 80 107.017 7.600 -14.841 676 HG21 VAL 80 HG21 VAL 80 104.982 5.768 -16.220 677 HG22 VAL 80 HG22 VAL 80 105.901 4.362 -15.692 678 HG23 VAL 80 HG23 VAL 80 106.742 5.839 -16.162 679 H ASP 81 HN ASP 81 108.047 4.667 -15.457 680 HA ASP 81 HA ASP 81 110.696 4.932 -14.564 681 HB2 ASP 81 HB2 ASP 81 110.115 3.803 -16.650 682 HB3 ASP 81 HB1 ASP 81 109.532 5.318 -17.333 683 H CYS 82 HN CYS 82 110.240 6.927 -13.215 684 HA CYS 82 HA CYS 82 111.615 9.130 -14.162 685 HB2 CYS 82 HB2 CYS 82 110.008 10.817 -14.622 686 HB3 CYS 82 HB1 CYS 82 109.494 9.438 -15.579 687 HG CYS 82 HG CYS 82 107.349 9.600 -14.368 688 H LYS 83 HN LYS 83 112.289 10.303 -12.395 689 HA LYS 83 HA LYS 83 112.599 10.740 -10.209 690 HB2 LYS 83 HB2 LYS 83 110.673 11.810 -9.054 691 HB3 LYS 83 HB1 LYS 83 111.022 12.480 -10.639 692 HG2 LYS 83 HG2 LYS 83 109.153 11.253 -11.616 693 HG3 LYS 83 HG1 LYS 83 108.842 10.438 -10.085 694 HD2 LYS 83 HD2 LYS 83 108.425 12.661 -9.036 695 HD3 LYS 83 HD1 LYS 83 108.638 13.413 -10.618 696 HE2 LYS 83 HE2 LYS 83 106.760 12.106 -11.517 697 HE3 LYS 83 HE1 LYS 83 106.558 11.304 -9.959 698 HZ1 LYS 83 HZ1 LYS 83 105.106 12.960 -9.605 699 HZ2 LYS 83 HZ2 LYS 83 105.792 13.973 -10.784 700 HZ3 LYS 83 HZ3 LYS 83 106.488 13.874 -9.237 701 H SER 84 HN SER 84 113.034 8.389 -10.001 702 HA SER 84 HA SER 84 111.275 7.241 -7.926 703 HB2 SER 84 HB2 SER 84 111.353 6.148 -10.343 704 HB3 SER 84 HB1 SER 84 112.854 5.452 -9.743 705 HG SER 84 HG SER 84 110.287 5.317 -8.522 706 H TYR 85 HN TYR 85 114.476 7.697 -9.260 707 HA TYR 85 HA TYR 85 116.130 6.219 -7.650 708 HB2 TYR 85 HB2 TYR 85 117.868 7.609 -8.386 709 HB3 TYR 85 HB1 TYR 85 116.656 7.679 -9.660 710 HD1 TYR 85 HD1 TYR 85 118.870 9.672 -7.959 711 HD2 TYR 85 HD2 TYR 85 114.698 9.576 -8.977 712 HE1 TYR 85 HE1 TYR 85 118.744 12.132 -7.689 713 HE2 TYR 85 HE2 TYR 85 114.578 12.032 -8.719 714 HH TYR 85 HH TYR 85 117.050 14.016 -8.767 715 H ASP 86 HN ASP 86 114.521 6.624 -5.596 716 HA ASP 86 HA ASP 86 116.142 8.150 -3.726 717 HB2 ASP 86 HB2 ASP 86 114.437 9.766 -4.623 718 HB3 ASP 86 HB1 ASP 86 113.184 8.724 -3.953 719 H THR 87 HN THR 87 116.542 6.611 -2.242 720 HA THR 87 HA THR 87 114.630 4.527 -1.696 721 HB THR 87 HB THR 87 116.298 3.651 -0.172 722 HG1 THR 87 HG1 THR 87 117.061 5.395 0.865 723 HG21 THR 87 HG21 THR 87 118.186 3.439 -1.701 724 HG22 THR 87 HG22 THR 87 117.653 4.861 -2.596 725 HG23 THR 87 HG23 THR 87 116.680 3.389 -2.618 726 H GLY 88 HN GLY 88 113.026 4.552 -0.148 727 HA2 GLY 88 HA2 GLY 88 113.395 6.249 2.224 728 HA3 GLY 88 HA1 GLY 88 111.994 6.550 1.200 729 H GLU 89 HN GLU 89 110.569 5.990 2.918 730 HA GLU 89 HA GLU 89 110.227 3.073 3.207 731 HB2 GLU 89 HB2 GLU 89 109.853 3.299 5.631 732 HB3 GLU 89 HB1 GLU 89 111.494 3.768 5.184 733 HG2 GLU 89 HG2 GLU 89 110.799 6.147 5.174 734 HG3 GLU 89 HG1 GLU 89 109.179 5.665 5.671 735 H VAL 90 HN VAL 90 108.121 2.388 3.464 736 HA VAL 90 HA VAL 90 106.037 4.488 3.250 737 HB VAL 90 HB VAL 90 106.183 1.714 2.040 738 HG11 VAL 90 HG11 VAL 90 103.931 3.745 2.021 739 HG12 VAL 90 HG12 VAL 90 103.884 2.143 2.758 740 HG13 VAL 90 HG13 VAL 90 103.988 2.305 1.008 741 HG21 VAL 90 HG21 VAL 90 106.203 4.515 0.902 742 HG22 VAL 90 HG22 VAL 90 105.956 3.076 -0.082 743 HG23 VAL 90 HG23 VAL 90 107.474 3.304 0.783 744 H LYS 91 HN LYS 91 104.420 4.420 4.678 745 HA LYS 91 HA LYS 91 103.974 2.047 6.353 746 HB2 LYS 91 HB2 LYS 91 105.497 3.611 7.574 747 HB3 LYS 91 HB1 LYS 91 104.265 4.864 7.436 748 HG2 LYS 91 HG2 LYS 91 102.682 3.500 8.701 749 HG3 LYS 91 HG1 LYS 91 103.847 2.177 8.776 750 HD2 LYS 91 HD2 LYS 91 105.417 3.653 10.012 751 HD3 LYS 91 HD1 LYS 91 104.211 4.939 9.976 752 HE2 LYS 91 HE2 LYS 91 103.803 2.216 11.246 753 HE3 LYS 91 HE1 LYS 91 104.175 3.697 12.127 754 HZ1 LYS 91 HZ1 LYS 91 101.873 3.532 12.221 755 HZ2 LYS 91 HZ2 LYS 91 101.736 3.022 10.606 756 HZ3 LYS 91 HZ3 LYS 91 102.135 4.635 10.959 757 H VAL 92 HN VAL 92 101.846 1.629 6.535 758 HA VAL 92 HA VAL 92 99.921 3.804 5.892 759 HB VAL 92 HB VAL 92 99.919 0.892 5.093 760 HG11 VAL 92 HG11 VAL 92 97.656 1.250 5.658 761 HG12 VAL 92 HG12 VAL 92 97.703 1.638 3.940 762 HG13 VAL 92 HG13 VAL 92 97.697 2.933 5.137 763 HG21 VAL 92 HG21 VAL 92 101.206 2.584 3.727 764 HG22 VAL 92 HG22 VAL 92 99.681 3.422 3.441 765 HG23 VAL 92 HG23 VAL 92 99.910 1.780 2.841 766 H THR 93 HN THR 93 98.397 4.162 7.335 767 HA THR 93 HA THR 93 97.936 2.152 9.480 768 HB THR 93 HB THR 93 99.086 3.924 10.548 769 HG1 THR 93 HG1 THR 93 97.600 4.319 11.991 770 HG21 THR 93 HG21 THR 93 99.008 5.529 8.717 771 HG22 THR 93 HG22 THR 93 98.455 6.300 10.205 772 HG23 THR 93 HG23 THR 93 97.285 5.792 8.985 773 H ALA 94 HN ALA 94 95.887 1.580 9.834 774 HA ALA 94 HA ALA 94 93.756 3.079 8.429 775 HB1 ALA 94 HB1 ALA 94 92.551 0.857 8.452 776 HB2 ALA 94 HB2 ALA 94 94.062 0.129 8.997 777 HB3 ALA 94 HB3 ALA 94 93.983 0.915 7.424 778 H GLU 95 HN GLU 95 91.806 3.383 9.470 779 HA GLU 95 HA GLU 95 91.669 2.706 12.345 780 HB2 GLU 95 HB2 GLU 95 92.497 5.023 12.096 781 HB3 GLU 95 HB1 GLU 95 91.071 5.419 11.136 782 HG2 GLU 95 HG2 GLU 95 89.617 4.848 13.044 783 HG3 GLU 95 HG1 GLU 95 91.034 4.426 14.004 784 H ASN 96 HN ASN 96 89.544 2.604 13.189 785 HA ASN 96 HA ASN 96 87.276 2.881 11.411 786 HB2 ASN 96 HB2 ASN 96 88.333 0.211 12.322 787 HB3 ASN 96 HB1 ASN 96 86.614 0.426 12.018 788 HD21 ASN 96 HD21 ASN 96 85.937 0.314 9.850 789 HD22 ASN 96 HD22 ASN 96 86.994 0.289 8.523 790 HA PRO 97 HA PRO 97 85.364 3.982 15.214 791 HB2 PRO 97 HB2 PRO 97 82.886 2.532 14.871 792 HB3 PRO 97 HB1 PRO 97 83.189 4.253 14.599 793 HG2 PRO 97 HG2 PRO 97 82.868 2.137 12.652 794 HG3 PRO 97 HG1 PRO 97 82.965 3.884 12.388 795 HD2 PRO 97 HD2 PRO 97 84.953 1.977 11.729 796 HD3 PRO 97 HD1 PRO 97 85.148 3.738 11.730 797 H GLU 98 HN GLU 98 85.339 0.541 14.362 798 HA GLU 98 HA GLU 98 85.272 -0.130 17.260 799 HB2 GLU 98 HB2 GLU 98 83.358 -0.871 15.619 800 HB3 GLU 98 HB1 GLU 98 84.515 -2.097 15.113 801 HG2 GLU 98 HG2 GLU 98 83.288 -3.136 16.851 802 HG3 GLU 98 HG1 GLU 98 84.781 -2.624 17.631 803 H GLY 99 HN GLY 99 87.651 0.257 15.111 804 HA2 GLY 99 HA2 GLY 99 89.235 -1.830 16.308 805 HA3 GLY 99 HA1 GLY 99 88.911 -2.089 14.598 806 H VAL 100 HN VAL 100 91.445 -1.706 15.765 807 HA VAL 100 HA VAL 100 92.345 0.683 14.293 808 HB VAL 100 HB VAL 100 93.180 -0.120 17.093 809 HG11 VAL 100 HG11 VAL 100 94.723 1.892 16.838 810 HG12 VAL 100 HG12 VAL 100 94.417 1.792 15.105 811 HG13 VAL 100 HG13 VAL 100 95.199 0.451 15.942 812 HG21 VAL 100 HG21 VAL 100 92.170 2.532 16.032 813 HG22 VAL 100 HG22 VAL 100 92.372 2.058 17.719 814 HG23 VAL 100 HG23 VAL 100 91.108 1.314 16.739 815 H ILE 101 HN ILE 101 94.039 0.238 12.979 816 HA ILE 101 HA ILE 101 95.791 -2.036 13.511 817 HB ILE 101 HB ILE 101 95.281 -2.571 10.874 818 HG12 ILE 101 HG12 ILE 101 92.572 -1.950 12.071 819 HG13 ILE 101 HG11 ILE 101 93.418 -0.820 11.020 820 HG21 ILE 101 HG21 ILE 101 93.763 -4.408 11.733 821 HG22 ILE 101 HG22 ILE 101 93.911 -3.686 13.333 822 HG23 ILE 101 HG23 ILE 101 95.340 -4.316 12.517 823 HD11 ILE 101 HD11 ILE 101 93.095 -2.112 9.144 824 HD12 ILE 101 HD12 ILE 101 91.689 -2.636 10.066 825 HD13 ILE 101 HD13 ILE 101 93.142 -3.632 10.040 826 H GLU 102 HN GLU 102 97.665 -2.111 12.149 827 HA GLU 102 HA GLU 102 98.261 -0.026 10.296 828 HB2 GLU 102 HB2 GLU 102 99.933 1.170 11.638 829 HB3 GLU 102 HB1 GLU 102 98.331 1.308 12.365 830 HG2 GLU 102 HG2 GLU 102 98.918 -0.652 13.838 831 HG3 GLU 102 HG1 GLU 102 100.562 -0.561 13.206 832 H HIS 103 HN HIS 103 100.488 -0.149 9.509 833 HA HIS 103 HA HIS 103 102.135 -2.379 10.385 834 HB2 HIS 103 HB2 HIS 103 100.574 -2.424 7.824 835 HB3 HIS 103 HB1 HIS 103 102.186 -3.130 7.830 836 HD1 HIS 103 HD1 HIS 103 99.173 -4.508 7.759 837 HD2 HIS 103 HD2 HIS 103 102.011 -4.638 10.811 838 HE1 HIS 103 HE1 HIS 103 98.688 -6.596 9.099 839 H LYS 104 HN LYS 104 104.246 -2.305 9.610 840 HA LYS 104 HA LYS 104 105.011 0.180 8.162 841 HB2 LYS 104 HB2 LYS 104 107.081 0.184 9.467 842 HB3 LYS 104 HB1 LYS 104 105.683 0.230 10.540 843 HG2 LYS 104 HG2 LYS 104 105.870 -2.251 10.814 844 HG3 LYS 104 HG1 LYS 104 107.349 -2.207 9.853 845 HD2 LYS 104 HD2 LYS 104 108.353 -0.635 11.483 846 HD3 LYS 104 HD1 LYS 104 106.890 -0.733 12.461 847 HE2 LYS 104 HE2 LYS 104 108.718 -3.051 11.768 848 HE3 LYS 104 HE1 LYS 104 108.609 -2.255 13.338 849 HZ1 LYS 104 HZ1 LYS 104 106.119 -2.838 13.133 850 HZ2 LYS 104 HZ2 LYS 104 107.216 -4.052 13.591 851 HZ3 LYS 104 HZ3 LYS 104 106.641 -3.981 11.994 852 H VAL 105 HN VAL 105 106.277 -0.031 6.419 853 HA VAL 105 HA VAL 105 107.597 -2.623 5.875 854 HB VAL 105 HB VAL 105 106.772 -2.568 3.559 855 HG11 VAL 105 HG11 VAL 105 105.466 -3.806 5.212 856 HG12 VAL 105 HG12 VAL 105 104.377 -3.026 4.066 857 HG13 VAL 105 HG13 VAL 105 104.605 -2.333 5.664 858 HG21 VAL 105 HG21 VAL 105 104.974 -0.291 4.427 859 HG22 VAL 105 HG22 VAL 105 105.153 -0.962 2.808 860 HG23 VAL 105 HG23 VAL 105 106.465 -0.032 3.523 861 H LYS 106 HN LYS 106 109.223 -2.430 4.084 862 HA LYS 106 HA LYS 106 110.403 0.298 3.994 863 HB2 LYS 106 HB2 LYS 106 111.769 -2.377 4.267 864 HB3 LYS 106 HB1 LYS 106 112.618 -0.888 3.849 865 HG2 LYS 106 HG2 LYS 106 111.805 0.166 5.923 866 HG3 LYS 106 HG1 LYS 106 110.950 -1.318 6.343 867 HD2 LYS 106 HD2 LYS 106 113.079 -2.547 6.405 868 HD3 LYS 106 HD1 LYS 106 113.948 -1.080 5.952 869 HE2 LYS 106 HE2 LYS 106 113.168 0.032 8.003 870 HE3 LYS 106 HE1 LYS 106 112.273 -1.417 8.458 871 HZ1 LYS 106 HZ1 LYS 106 115.051 -1.883 7.833 872 HZ2 LYS 106 HZ2 LYS 106 114.123 -2.441 9.142 873 HZ3 LYS 106 HZ3 LYS 106 114.809 -0.888 9.185 874 H LEU 107 HN LEU 107 110.569 1.143 2.076 875 HA LEU 107 HA LEU 107 110.856 -0.623 -0.304 876 HB2 LEU 107 HB2 LEU 107 109.169 1.858 0.075 877 HB3 LEU 107 HB1 LEU 107 109.663 1.308 -1.522 878 HG LEU 107 HG LEU 107 108.645 -0.936 -0.982 879 HD11 LEU 107 HD11 LEU 107 108.223 -1.294 1.218 880 HD12 LEU 107 HD12 LEU 107 106.748 -0.374 0.959 881 HD13 LEU 107 HD13 LEU 107 108.180 0.424 1.604 882 HD21 LEU 107 HD21 LEU 107 107.199 1.628 -1.423 883 HD22 LEU 107 HD22 LEU 107 106.182 0.279 -0.921 884 HD23 LEU 107 HD23 LEU 107 107.178 0.141 -2.366 885 H GLU 108 HN GLU 108 112.720 -0.212 -1.422 886 HA GLU 108 HA GLU 108 113.842 2.507 -1.253 887 HB2 GLU 108 HB2 GLU 108 116.126 1.443 -1.147 888 HB3 GLU 108 HB1 GLU 108 115.161 1.281 0.317 889 HG2 GLU 108 HG2 GLU 108 114.468 -0.995 -0.425 890 HG3 GLU 108 HG1 GLU 108 115.518 -0.831 -1.831 891 H ILE 109 HN ILE 109 114.223 3.353 -3.218 892 HA ILE 109 HA ILE 109 114.496 1.447 -5.482 893 HB ILE 109 HB ILE 109 112.622 2.653 -6.108 894 HG12 ILE 109 HG12 ILE 109 113.166 4.416 -7.678 895 HG13 ILE 109 HG11 ILE 109 114.702 4.701 -6.899 896 HG21 ILE 109 HG21 ILE 109 113.772 5.108 -4.811 897 HG22 ILE 109 HG22 ILE 109 112.633 4.017 -4.021 898 HG23 ILE 109 HG23 ILE 109 112.142 4.926 -5.443 899 HD11 ILE 109 HD11 ILE 109 114.828 2.017 -7.646 900 HD12 ILE 109 HD12 ILE 109 115.597 3.358 -8.464 901 HD13 ILE 109 HD13 ILE 109 114.012 2.803 -8.987 902 H GLN 110 HN GLN 110 116.488 1.149 -5.961 903 HA GLN 110 HA GLN 110 118.549 3.119 -5.416 904 HB2 GLN 110 HB2 GLN 110 118.691 0.353 -6.621 905 HB3 GLN 110 HB1 GLN 110 120.098 1.365 -6.279 906 HG2 GLN 110 HG2 GLN 110 119.393 1.497 -3.899 907 HG3 GLN 110 HG1 GLN 110 118.055 0.408 -4.258 908 HE21 GLN 110 HE21 GLN 110 118.607 -1.613 -3.435 909 HE22 GLN 110 HE22 GLN 110 120.119 -2.359 -3.633 910 H GLN 111 HN GLN 111 119.745 1.587 -8.033 911 HA GLN 111 HA GLN 111 118.695 3.416 -10.073 912 HB2 GLN 111 HB2 GLN 111 121.585 3.356 -9.178 913 HB3 GLN 111 HB1 GLN 111 121.026 4.118 -10.664 914 HG2 GLN 111 HG2 GLN 111 119.512 5.565 -9.302 915 HG3 GLN 111 HG1 GLN 111 120.198 4.849 -7.843 916 HE21 GLN 111 HE21 GLN 111 120.748 7.382 -7.656 917 HE22 GLN 111 HE22 GLN 111 122.275 7.816 -8.256 918 H LEU 112 HN LEU 112 119.358 2.833 -12.240 919 HA LEU 112 HA LEU 112 119.479 0.037 -12.684 920 HB2 LEU 112 HB2 LEU 112 118.559 1.600 -14.350 921 HB3 LEU 112 HB1 LEU 112 120.156 2.299 -14.588 922 HG LEU 112 HG LEU 112 120.004 -0.677 -14.898 923 HD11 LEU 112 HD11 LEU 112 118.620 1.229 -16.794 924 HD12 LEU 112 HD12 LEU 112 117.964 -0.227 -16.046 925 HD13 LEU 112 HD13 LEU 112 119.194 -0.359 -17.303 926 HD21 LEU 112 HD21 LEU 112 121.440 -0.128 -16.889 927 HD22 LEU 112 HD22 LEU 112 122.100 0.477 -15.374 928 HD23 LEU 112 HD23 LEU 112 121.288 1.579 -16.483 929 H GLU 113 HN GLU 113 121.933 2.589 -12.704 930 HA GLU 113 HA GLU 113 124.067 0.612 -13.161 931 HB2 GLU 113 HB2 GLU 113 124.088 3.636 -13.011 932 HB3 GLU 113 HB1 GLU 113 125.531 2.645 -13.232 933 HG2 GLU 113 HG2 GLU 113 124.635 1.720 -15.297 934 HG3 GLU 113 HG1 GLU 113 123.116 2.583 -15.060 935 H HIS 114 HN HIS 114 125.070 -0.297 -11.498 936 HA HIS 114 HA HIS 114 125.698 1.229 -9.103 937 HB2 HIS 114 HB2 HIS 114 123.381 0.330 -8.724 938 HB3 HIS 114 HB1 HIS 114 124.044 -1.296 -8.874 939 HD1 HIS 114 HD1 HIS 114 125.733 -2.072 -7.007 940 HD2 HIS 114 HD2 HIS 114 123.924 1.611 -6.276 941 HE1 HIS 114 HE1 HIS 114 126.163 -1.535 -4.570 942 H HIS 115 HN HIS 115 127.805 0.794 -10.024 943 HA HIS 115 HA HIS 115 128.950 -1.652 -8.970 944 HB2 HIS 115 HB2 HIS 115 129.874 -2.448 -11.058 945 HB3 HIS 115 HB1 HIS 115 128.127 -2.305 -11.244 946 HD1 HIS 115 HD1 HIS 115 127.289 -0.019 -12.457 947 HD2 HIS 115 HD2 HIS 115 131.335 -0.940 -12.882 948 HE1 HIS 115 HE1 HIS 115 128.147 1.384 -14.384 949 H HIS 116 HN HIS 116 129.123 1.374 -8.802 950 HA HIS 116 HA HIS 116 131.834 1.931 -9.733 951 HB2 HIS 116 HB2 HIS 116 129.810 3.615 -8.243 952 HB3 HIS 116 HB1 HIS 116 131.404 4.182 -8.737 953 HD1 HIS 116 HD1 HIS 116 128.027 3.297 -10.083 954 HD2 HIS 116 HD2 HIS 116 131.729 4.516 -11.563 955 HE1 HIS 116 HE1 HIS 116 127.651 3.955 -12.499 956 H HIS 117 HN HIS 117 132.059 -0.121 -8.017 957 HA HIS 117 HA HIS 117 133.078 1.097 -5.501 958 HB2 HIS 117 HB2 HIS 117 131.885 -1.638 -5.997 959 HB3 HIS 117 HB1 HIS 117 132.781 -1.221 -4.537 960 HD1 HIS 117 HD1 HIS 117 129.533 -0.611 -6.293 961 HD2 HIS 117 HD2 HIS 117 131.455 0.630 -2.809 962 HE1 HIS 117 HE1 HIS 117 127.784 0.566 -4.886 963 H HIS 118 HN HIS 118 135.139 0.612 -4.886 964 HA HIS 118 HA HIS 118 136.983 -0.243 -6.873 965 HB2 HIS 118 HB2 HIS 118 137.556 1.329 -5.036 966 HB3 HIS 118 HB1 HIS 118 137.404 0.002 -3.885 967 HD1 HIS 118 HD1 HIS 118 139.430 0.977 -6.949 968 HD2 HIS 118 HD2 HIS 118 139.689 -1.584 -3.669 969 HE1 HIS 118 HE1 HIS 118 141.755 -0.020 -7.002 970 H HIS 119 HN HIS 119 135.708 -1.782 -3.934 971 HA HIS 119 HA HIS 119 135.941 -3.940 -3.131 972 HB2 HIS 119 HB2 HIS 119 135.069 -5.614 -4.667 973 HB3 HIS 119 HB1 HIS 119 134.148 -4.121 -4.839 974 HD1 HIS 119 HD1 HIS 119 134.709 -2.625 -6.952 975 HD2 HIS 119 HD2 HIS 119 136.456 -6.406 -6.978 976 HE1 HIS 119 HE1 HIS 119 135.501 -3.027 -9.322 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 65.788 -3.792 -25.732 2 H2 ARG 1 HT2 ARG 1 66.664 -5.233 -25.520 3 H3 ARG 1 HT3 ARG 1 67.417 -3.733 -25.265 4 HA ARG 1 HA ARG 1 65.276 -4.962 -23.630 5 HB2 ARG 1 HB2 ARG 1 67.642 -5.746 -23.295 6 HB3 ARG 1 HB1 ARG 1 68.097 -4.081 -22.946 7 HG2 ARG 1 HG2 ARG 1 67.750 -4.955 -20.801 8 HG3 ARG 1 HG1 ARG 1 66.198 -4.196 -21.141 9 HD2 ARG 1 HD2 ARG 1 65.935 -6.469 -20.188 10 HD3 ARG 1 HD1 ARG 1 65.256 -6.365 -21.806 11 HE ARG 1 HE ARG 1 67.007 -7.733 -22.599 12 HH11 ARG 1 HH11 ARG 1 68.181 -6.395 -19.712 13 HH12 ARG 1 HH12 ARG 1 69.044 -7.810 -19.207 14 HH21 ARG 1 HH21 ARG 1 67.800 -9.805 -21.754 15 HH22 ARG 1 HH22 ARG 1 68.839 -9.736 -20.371 16 H MET 2 HN MET 2 63.950 -3.579 -22.680 17 HA MET 2 HA MET 2 63.921 -0.844 -23.249 18 HB2 MET 2 HB2 MET 2 62.052 -0.710 -21.777 19 HB3 MET 2 HB1 MET 2 61.982 -2.297 -22.540 20 HG2 MET 2 HG2 MET 2 61.643 -2.884 -20.313 21 HG3 MET 2 HG1 MET 2 63.397 -3.025 -20.403 22 HE1 MET 2 HE1 MET 2 60.492 -1.455 -18.420 23 HE2 MET 2 HE2 MET 2 60.502 -0.707 -20.014 24 HE3 MET 2 HE3 MET 2 60.833 0.272 -18.588 25 H ALA 3 HN ALA 3 65.125 -2.550 -20.379 26 HA ALA 3 HA ALA 3 65.715 -0.139 -18.938 27 HB1 ALA 3 HB1 ALA 3 65.287 -2.335 -17.835 28 HB2 ALA 3 HB2 ALA 3 66.804 -1.588 -17.334 29 HB3 ALA 3 HB3 ALA 3 66.818 -2.919 -18.491 30 H HIS 4 HN HIS 4 67.784 0.708 -18.445 31 HA HIS 4 HA HIS 4 69.614 0.672 -20.672 32 HB2 HIS 4 HB2 HIS 4 69.747 2.022 -17.966 33 HB3 HIS 4 HB1 HIS 4 70.933 2.251 -19.252 34 HD1 HIS 4 HD1 HIS 4 69.930 3.209 -21.576 35 HD2 HIS 4 HD2 HIS 4 67.481 3.624 -18.229 36 HE1 HIS 4 HE1 HIS 4 68.188 4.946 -22.176 37 H GLU 5 HN GLU 5 71.743 -0.085 -20.680 38 HA GLU 5 HA GLU 5 72.225 -2.513 -19.350 39 HB2 GLU 5 HB2 GLU 5 74.145 -0.599 -20.699 40 HB3 GLU 5 HB1 GLU 5 74.565 -2.234 -20.190 41 HG2 GLU 5 HG2 GLU 5 72.325 -1.555 -22.117 42 HG3 GLU 5 HG1 GLU 5 73.928 -2.098 -22.603 43 H GLY 6 HN GLY 6 72.891 -2.948 -17.358 44 HA2 GLY 6 HA2 GLY 6 74.854 -1.419 -15.974 45 HA3 GLY 6 HA1 GLY 6 73.245 -1.088 -15.335 46 H ALA 7 HN ALA 7 75.166 -2.251 -13.719 47 HA ALA 7 HA ALA 7 75.001 -5.113 -13.706 48 HB1 ALA 7 HB1 ALA 7 76.832 -3.673 -12.651 49 HB2 ALA 7 HB2 ALA 7 76.231 -5.012 -11.672 50 HB3 ALA 7 HB3 ALA 7 75.692 -3.365 -11.340 51 H LEU 8 HN LEU 8 73.650 -6.456 -12.536 52 HA LEU 8 HA LEU 8 71.111 -5.363 -11.755 53 HB2 LEU 8 HB2 LEU 8 72.195 -8.162 -11.313 54 HB3 LEU 8 HB1 LEU 8 70.507 -7.665 -11.218 55 HG LEU 8 HG LEU 8 72.250 -7.528 -13.697 56 HD11 LEU 8 HD11 LEU 8 70.921 -9.360 -14.529 57 HD12 LEU 8 HD12 LEU 8 69.849 -9.285 -13.132 58 HD13 LEU 8 HD13 LEU 8 71.515 -9.823 -12.934 59 HD21 LEU 8 HD21 LEU 8 69.450 -6.596 -13.070 60 HD22 LEU 8 HD22 LEU 8 69.837 -7.144 -14.701 61 HD23 LEU 8 HD23 LEU 8 70.712 -5.787 -14.001 62 H THR 9 HN THR 9 70.285 -5.032 -9.752 63 HA THR 9 HA THR 9 72.184 -4.725 -7.590 64 HB THR 9 HB THR 9 70.323 -3.708 -6.394 65 HG1 THR 9 HG1 THR 9 68.353 -3.602 -7.928 66 HG21 THR 9 HG21 THR 9 70.424 -2.925 -9.316 67 HG22 THR 9 HG22 THR 9 71.491 -2.332 -8.044 68 HG23 THR 9 HG23 THR 9 69.777 -1.918 -8.019 69 H GLY 10 HN GLY 10 71.794 -5.571 -5.446 70 HA2 GLY 10 HA2 GLY 10 70.861 -8.367 -5.522 71 HA3 GLY 10 HA1 GLY 10 71.926 -7.658 -4.313 72 H VAL 11 HN VAL 11 69.321 -5.643 -5.107 73 HA VAL 11 HA VAL 11 67.629 -4.812 -3.800 74 HB VAL 11 HB VAL 11 65.843 -6.390 -3.328 75 HG11 VAL 11 HG11 VAL 11 66.136 -5.753 -5.653 76 HG12 VAL 11 HG12 VAL 11 65.674 -7.453 -5.580 77 HG13 VAL 11 HG13 VAL 11 67.355 -7.008 -5.877 78 HG21 VAL 11 HG21 VAL 11 66.082 -8.757 -3.412 79 HG22 VAL 11 HG22 VAL 11 67.430 -8.216 -2.422 80 HG23 VAL 11 HG23 VAL 11 67.694 -8.656 -4.110 81 H THR 12 HN THR 12 66.413 -5.127 -1.581 82 HA THR 12 HA THR 12 66.774 -4.680 0.672 83 HB THR 12 HB THR 12 67.880 -7.487 0.413 84 HG1 THR 12 HG1 THR 12 65.256 -6.791 1.117 85 HG21 THR 12 HG21 THR 12 68.297 -6.447 2.630 86 HG22 THR 12 HG22 THR 12 67.112 -7.746 2.735 87 HG23 THR 12 HG23 THR 12 66.582 -6.066 2.763 88 H THR 13 HN THR 13 68.418 -3.015 0.340 89 HA THR 13 HA THR 13 71.225 -3.790 0.592 90 HB THR 13 HB THR 13 69.899 -1.067 0.455 91 HG1 THR 13 HG1 THR 13 70.785 -2.916 -1.410 92 HG21 THR 13 HG21 THR 13 72.143 -0.205 -0.016 93 HG22 THR 13 HG22 THR 13 72.823 -1.824 0.126 94 HG23 THR 13 HG23 THR 13 72.148 -1.023 1.543 95 H ASP 14 HN ASP 14 72.210 -4.006 2.503 96 HA ASP 14 HA ASP 14 71.864 -2.221 4.673 97 HB2 ASP 14 HB2 ASP 14 69.714 -3.500 4.873 98 HB3 ASP 14 HB1 ASP 14 70.670 -4.956 5.152 99 H GLN 15 HN GLN 15 74.037 -2.166 4.858 100 HA GLN 15 HA GLN 15 75.329 -4.544 6.005 101 HB2 GLN 15 HB2 GLN 15 75.744 -4.547 3.524 102 HB3 GLN 15 HB1 GLN 15 76.554 -2.993 3.708 103 HG2 GLN 15 HG2 GLN 15 78.122 -4.063 5.343 104 HG3 GLN 15 HG1 GLN 15 77.351 -5.612 5.009 105 HE21 GLN 15 HE21 GLN 15 79.079 -6.648 3.888 106 HE22 GLN 15 HE22 GLN 15 79.710 -6.067 2.424 107 H LYS 16 HN LYS 16 74.768 -2.867 7.751 108 HA LYS 16 HA LYS 16 77.054 -0.999 8.099 109 HB2 LYS 16 HB2 LYS 16 74.155 -0.669 8.892 110 HB3 LYS 16 HB1 LYS 16 75.453 0.342 9.524 111 HG2 LYS 16 HG2 LYS 16 76.041 1.021 7.224 112 HG3 LYS 16 HG1 LYS 16 74.727 0.022 6.596 113 HD2 LYS 16 HD2 LYS 16 73.097 1.349 7.908 114 HD3 LYS 16 HD1 LYS 16 74.411 2.352 8.518 115 HE2 LYS 16 HE2 LYS 16 74.942 3.070 6.233 116 HE3 LYS 16 HE1 LYS 16 73.649 2.051 5.602 117 HZ1 LYS 16 HZ1 LYS 16 72.924 4.343 5.855 118 HZ2 LYS 16 HZ2 LYS 16 73.305 4.302 7.510 119 HZ3 LYS 16 HZ3 LYS 16 72.059 3.324 6.898 120 H GLU 17 HN GLU 17 76.160 -3.888 9.023 121 HA GLU 17 HA GLU 17 76.159 -3.577 11.908 122 HB2 GLU 17 HB2 GLU 17 76.227 -6.011 10.109 123 HB3 GLU 17 HB1 GLU 17 76.194 -6.086 11.873 124 HG2 GLU 17 HG2 GLU 17 74.078 -4.926 11.952 125 HG3 GLU 17 HG1 GLU 17 74.130 -4.613 10.218 126 H LYS 18 HN LYS 18 77.725 -5.098 13.114 127 HA LYS 18 HA LYS 18 80.364 -4.112 12.674 128 HB2 LYS 18 HB2 LYS 18 79.407 -4.731 14.920 129 HB3 LYS 18 HB1 LYS 18 79.564 -6.426 14.450 130 HG2 LYS 18 HG2 LYS 18 81.986 -6.089 14.065 131 HG3 LYS 18 HG1 LYS 18 81.814 -4.405 14.561 132 HD2 LYS 18 HD2 LYS 18 81.070 -5.088 16.777 133 HD3 LYS 18 HD1 LYS 18 81.150 -6.788 16.309 134 HE2 LYS 18 HE2 LYS 18 83.589 -6.513 15.860 135 HE3 LYS 18 HE1 LYS 18 83.481 -4.847 16.429 136 HZ1 LYS 18 HZ1 LYS 18 83.978 -7.019 17.971 137 HZ2 LYS 18 HZ2 LYS 18 82.327 -6.735 18.252 138 HZ3 LYS 18 HZ3 LYS 18 83.464 -5.505 18.536 139 H GLN 19 HN GLN 19 82.122 -5.048 11.728 140 HA GLN 19 HA GLN 19 81.974 -7.830 10.780 141 HB2 GLN 19 HB2 GLN 19 81.264 -6.261 8.933 142 HB3 GLN 19 HB1 GLN 19 82.831 -5.470 9.068 143 HG2 GLN 19 HG2 GLN 19 82.893 -7.096 7.256 144 HG3 GLN 19 HG1 GLN 19 83.936 -7.643 8.562 145 HE21 GLN 19 HE21 GLN 19 80.518 -8.006 7.462 146 HE22 GLN 19 HE22 GLN 19 80.393 -9.634 7.922 147 H LYS 20 HN LYS 20 84.212 -8.637 10.298 148 HA LYS 20 HA LYS 20 86.094 -7.585 12.236 149 HB2 LYS 20 HB2 LYS 20 85.704 -10.036 11.809 150 HB3 LYS 20 HB1 LYS 20 86.535 -9.825 10.268 151 HG2 LYS 20 HG2 LYS 20 88.489 -8.874 11.541 152 HG3 LYS 20 HG1 LYS 20 87.667 -9.326 13.033 153 HD2 LYS 20 HD2 LYS 20 87.721 -11.664 12.447 154 HD3 LYS 20 HD1 LYS 20 88.301 -11.298 10.822 155 HE2 LYS 20 HE2 LYS 20 89.870 -10.463 13.263 156 HE3 LYS 20 HE1 LYS 20 90.045 -12.074 12.564 157 HZ1 LYS 20 HZ1 LYS 20 91.652 -10.448 11.689 158 HZ2 LYS 20 HZ2 LYS 20 90.365 -9.545 11.045 159 HZ3 LYS 20 HZ3 LYS 20 90.670 -11.118 10.480 160 HA PRO 21 HA PRO 21 87.891 -5.229 8.757 161 HB2 PRO 21 HB2 PRO 21 89.652 -3.796 10.575 162 HB3 PRO 21 HB1 PRO 21 88.245 -3.177 9.694 163 HG2 PRO 21 HG2 PRO 21 88.376 -3.530 12.438 164 HG3 PRO 21 HG1 PRO 21 86.884 -3.388 11.493 165 HD2 PRO 21 HD2 PRO 21 88.165 -5.839 12.636 166 HD3 PRO 21 HD1 PRO 21 86.453 -5.468 12.359 167 H ASP 22 HN ASP 22 90.068 -5.016 7.822 168 HA ASP 22 HA ASP 22 92.368 -6.125 8.947 169 HB2 ASP 22 HB2 ASP 22 92.304 -8.257 7.326 170 HB3 ASP 22 HB1 ASP 22 91.672 -8.321 8.968 171 H ILE 23 HN ILE 23 93.748 -4.903 7.966 172 HA ILE 23 HA ILE 23 93.440 -4.080 5.194 173 HB ILE 23 HB ILE 23 94.064 -2.485 6.975 174 HG12 ILE 23 HG12 ILE 23 95.891 -2.947 4.610 175 HG13 ILE 23 HG11 ILE 23 94.699 -1.683 4.859 176 HG21 ILE 23 HG21 ILE 23 95.525 -4.331 8.113 177 HG22 ILE 23 HG22 ILE 23 96.044 -2.649 8.200 178 HG23 ILE 23 HG23 ILE 23 96.798 -3.742 7.040 179 HD11 ILE 23 HD11 ILE 23 96.817 -0.628 5.115 180 HD12 ILE 23 HD12 ILE 23 97.433 -1.943 6.119 181 HD13 ILE 23 HD13 ILE 23 96.203 -0.848 6.755 182 H VAL 24 HN VAL 24 94.748 -4.532 3.513 183 HA VAL 24 HA VAL 24 96.828 -6.620 3.872 184 HB VAL 24 HB VAL 24 96.360 -7.137 1.438 185 HG11 VAL 24 HG11 VAL 24 94.193 -8.345 1.998 186 HG12 VAL 24 HG12 VAL 24 94.240 -7.527 3.560 187 HG13 VAL 24 HG13 VAL 24 95.531 -8.638 3.109 188 HG21 VAL 24 HG21 VAL 24 94.075 -6.438 0.644 189 HG22 VAL 24 HG22 VAL 24 95.212 -5.099 0.785 190 HG23 VAL 24 HG23 VAL 24 93.979 -5.343 2.022 191 H LEU 25 HN LEU 25 98.819 -6.270 2.969 192 HA LEU 25 HA LEU 25 99.296 -4.037 1.182 193 HB2 LEU 25 HB2 LEU 25 101.135 -3.168 2.790 194 HB3 LEU 25 HB1 LEU 25 99.474 -2.716 3.101 195 HG LEU 25 HG LEU 25 100.804 -3.437 5.131 196 HD11 LEU 25 HD11 LEU 25 98.938 -4.221 6.194 197 HD12 LEU 25 HD12 LEU 25 98.575 -5.416 4.956 198 HD13 LEU 25 HD13 LEU 25 98.159 -3.722 4.699 199 HD21 LEU 25 HD21 LEU 25 101.361 -5.730 5.474 200 HD22 LEU 25 HD22 LEU 25 101.979 -5.313 3.880 201 HD23 LEU 25 HD23 LEU 25 100.482 -6.239 4.033 202 H TYR 26 HN TYR 26 102.116 -3.915 1.576 203 HA TYR 26 HA TYR 26 102.926 -6.520 0.462 204 HB2 TYR 26 HB2 TYR 26 103.658 -3.747 0.024 205 HB3 TYR 26 HB1 TYR 26 105.108 -4.663 0.425 206 HD1 TYR 26 HD1 TYR 26 102.277 -4.349 -1.945 207 HD2 TYR 26 HD2 TYR 26 105.963 -6.367 -1.056 208 HE1 TYR 26 HE1 TYR 26 102.329 -5.269 -4.248 209 HE2 TYR 26 HE2 TYR 26 106.014 -7.290 -3.357 210 HH TYR 26 HH TYR 26 103.583 -6.351 -5.764 211 HA PRO 27 HA PRO 27 104.577 -6.922 4.740 212 HB2 PRO 27 HB2 PRO 27 104.924 -9.780 4.381 213 HB3 PRO 27 HB1 PRO 27 103.735 -8.939 5.386 214 HG2 PRO 27 HG2 PRO 27 103.185 -10.375 3.056 215 HG3 PRO 27 HG1 PRO 27 102.097 -9.232 3.860 216 HD2 PRO 27 HD2 PRO 27 103.723 -8.854 1.394 217 HD3 PRO 27 HD1 PRO 27 102.230 -8.062 1.905 218 H GLU 28 HN GLU 28 105.931 -8.053 1.738 219 HA GLU 28 HA GLU 28 108.586 -8.429 2.926 220 HB2 GLU 28 HB2 GLU 28 109.204 -9.306 0.701 221 HB3 GLU 28 HB1 GLU 28 107.826 -10.157 1.401 222 HG2 GLU 28 HG2 GLU 28 106.394 -8.413 0.076 223 HG3 GLU 28 HG1 GLU 28 107.869 -8.154 -0.849 224 HA PRO 29 HA PRO 29 109.724 -4.274 1.643 225 HB2 PRO 29 HB2 PRO 29 112.538 -4.940 1.401 226 HB3 PRO 29 HB1 PRO 29 111.740 -4.038 2.694 227 HG2 PRO 29 HG2 PRO 29 112.768 -6.708 2.778 228 HG3 PRO 29 HG1 PRO 29 111.991 -5.795 4.077 229 HD2 PRO 29 HD2 PRO 29 110.905 -8.022 2.607 230 HD3 PRO 29 HD1 PRO 29 110.121 -7.070 3.886 231 H VAL 30 HN VAL 30 110.203 -3.237 -0.365 232 HA VAL 30 HA VAL 30 111.007 -5.024 -2.608 233 HB VAL 30 HB VAL 30 108.823 -2.938 -2.588 234 HG11 VAL 30 HG11 VAL 30 108.582 -3.710 -5.031 235 HG12 VAL 30 HG12 VAL 30 110.214 -4.356 -4.859 236 HG13 VAL 30 HG13 VAL 30 109.925 -2.627 -4.663 237 HG21 VAL 30 HG21 VAL 30 107.509 -4.942 -3.474 238 HG22 VAL 30 HG22 VAL 30 107.994 -5.039 -1.780 239 HG23 VAL 30 HG23 VAL 30 108.888 -5.937 -3.006 240 H ARG 31 HN ARG 31 112.551 -4.247 -3.924 241 HA ARG 31 HA ARG 31 113.338 -1.401 -3.692 242 HB2 ARG 31 HB2 ARG 31 115.069 -3.879 -3.877 243 HB3 ARG 31 HB1 ARG 31 115.674 -2.232 -4.056 244 HG2 ARG 31 HG2 ARG 31 114.960 -1.666 -1.806 245 HG3 ARG 31 HG1 ARG 31 114.174 -3.235 -1.621 246 HD2 ARG 31 HD2 ARG 31 116.352 -3.262 -0.504 247 HD3 ARG 31 HD1 ARG 31 116.379 -4.347 -1.893 248 HE ARG 31 HE ARG 31 117.276 -1.774 -2.676 249 HH11 ARG 31 HH11 ARG 31 118.639 -2.546 0.048 250 HH12 ARG 31 HH12 ARG 31 120.140 -3.180 -0.539 251 HH21 ARG 31 HH21 ARG 31 119.048 -3.455 -3.818 252 HH22 ARG 31 HH22 ARG 31 120.370 -3.698 -2.725 253 H VAL 32 HN VAL 32 113.520 -0.358 -5.615 254 HA VAL 32 HA VAL 32 113.680 -1.977 -8.096 255 HB VAL 32 HB VAL 32 111.347 -1.024 -7.550 256 HG11 VAL 32 HG11 VAL 32 112.359 1.207 -6.814 257 HG12 VAL 32 HG12 VAL 32 110.956 1.307 -7.872 258 HG13 VAL 32 HG13 VAL 32 112.574 1.572 -8.524 259 HG21 VAL 32 HG21 VAL 32 111.358 -1.671 -9.755 260 HG22 VAL 32 HG22 VAL 32 112.908 -0.905 -10.081 261 HG23 VAL 32 HG23 VAL 32 111.430 0.058 -10.087 262 H LEU 33 HN LEU 33 114.746 -0.957 -9.871 263 HA LEU 33 HA LEU 33 116.719 1.047 -8.989 264 HB2 LEU 33 HB2 LEU 33 116.527 -0.798 -11.371 265 HB3 LEU 33 HB1 LEU 33 117.714 0.499 -11.268 266 HG LEU 33 HG LEU 33 118.541 -0.436 -9.123 267 HD11 LEU 33 HD11 LEU 33 116.738 -1.562 -8.145 268 HD12 LEU 33 HD12 LEU 33 117.714 -2.906 -8.736 269 HD13 LEU 33 HD13 LEU 33 116.298 -2.381 -9.646 270 HD21 LEU 33 HD21 LEU 33 119.321 -2.728 -10.189 271 HD22 LEU 33 HD22 LEU 33 119.859 -1.209 -10.897 272 HD23 LEU 33 HD23 LEU 33 118.531 -2.102 -11.637 273 H GLU 34 HN GLU 34 116.809 3.102 -9.788 274 HA GLU 34 HA GLU 34 114.588 4.394 -10.666 275 HB2 GLU 34 HB2 GLU 34 115.883 6.284 -10.948 276 HB3 GLU 34 HB1 GLU 34 116.982 5.291 -9.998 277 HG2 GLU 34 HG2 GLU 34 117.975 4.484 -12.209 278 HG3 GLU 34 HG1 GLU 34 117.018 5.730 -12.999 279 H GLY 35 HN GLY 35 113.445 4.684 -12.448 280 HA2 GLY 35 HA2 GLY 35 113.201 4.960 -14.813 281 HA3 GLY 35 HA1 GLY 35 114.603 3.924 -15.066 282 H GLU 36 HN GLU 36 112.723 2.639 -12.638 283 HA GLU 36 HA GLU 36 111.269 0.839 -14.501 284 HB2 GLU 36 HB2 GLU 36 112.797 0.316 -11.975 285 HB3 GLU 36 HB1 GLU 36 111.485 -0.756 -12.423 286 HG2 GLU 36 HG2 GLU 36 113.461 -1.730 -13.294 287 HG3 GLU 36 HG1 GLU 36 112.639 -1.019 -14.680 288 H THR 37 HN THR 37 109.117 0.988 -14.306 289 HA THR 37 HA THR 37 107.898 2.541 -12.224 290 HB THR 37 HB THR 37 106.771 2.694 -14.278 291 HG1 THR 37 HG1 THR 37 105.139 0.669 -13.405 292 HG21 THR 37 HG21 THR 37 107.099 -0.309 -14.415 293 HG22 THR 37 HG22 THR 37 107.754 0.902 -15.516 294 HG23 THR 37 HG23 THR 37 106.023 0.576 -15.494 295 H ALA 38 HN ALA 38 106.340 1.753 -10.681 296 HA ALA 38 HA ALA 38 106.745 -1.096 -9.927 297 HB1 ALA 38 HB1 ALA 38 107.832 0.378 -8.335 298 HB2 ALA 38 HB2 ALA 38 106.402 -0.336 -7.589 299 HB3 ALA 38 HB3 ALA 38 106.359 1.330 -8.163 300 H ARG 39 HN ARG 39 105.000 -2.120 -8.813 301 HA ARG 39 HA ARG 39 102.334 -0.901 -9.273 302 HB2 ARG 39 HB2 ARG 39 103.166 -3.750 -9.883 303 HB3 ARG 39 HB1 ARG 39 101.515 -3.135 -9.953 304 HG2 ARG 39 HG2 ARG 39 102.130 -1.540 -11.680 305 HG3 ARG 39 HG1 ARG 39 103.822 -2.012 -11.562 306 HD2 ARG 39 HD2 ARG 39 102.799 -3.128 -13.484 307 HD3 ARG 39 HD1 ARG 39 103.206 -4.320 -12.255 308 HE ARG 39 HE ARG 39 100.914 -4.662 -11.868 309 HH11 ARG 39 HH11 ARG 39 99.256 -5.034 -13.587 310 HH12 ARG 39 HH12 ARG 39 98.580 -3.605 -14.297 311 HH21 ARG 39 HH21 ARG 39 100.987 -1.482 -13.001 312 HH22 ARG 39 HH22 ARG 39 99.553 -1.604 -13.960 313 H PHE 40 HN PHE 40 101.732 -0.494 -7.230 314 HA PHE 40 HA PHE 40 101.832 -2.725 -5.264 315 HB2 PHE 40 HB2 PHE 40 102.607 0.136 -5.013 316 HB3 PHE 40 HB1 PHE 40 101.609 -0.462 -3.695 317 HD1 PHE 40 HD1 PHE 40 104.313 -2.082 -5.755 318 HD2 PHE 40 HD2 PHE 40 102.969 -0.901 -1.850 319 HE1 PHE 40 HE1 PHE 40 106.276 -3.192 -4.740 320 HE2 PHE 40 HE2 PHE 40 104.938 -2.010 -0.843 321 HZ PHE 40 HZ PHE 40 106.575 -3.160 -2.283 322 H ARG 41 HN ARG 41 100.057 -3.030 -3.981 323 HA ARG 41 HA ARG 41 97.638 -1.444 -4.595 324 HB2 ARG 41 HB2 ARG 41 96.325 -3.501 -4.657 325 HB3 ARG 41 HB1 ARG 41 97.588 -3.559 -5.887 326 HG2 ARG 41 HG2 ARG 41 99.001 -4.910 -4.360 327 HG3 ARG 41 HG1 ARG 41 97.714 -4.876 -3.153 328 HD2 ARG 41 HD2 ARG 41 97.579 -6.958 -4.394 329 HD3 ARG 41 HD1 ARG 41 96.190 -5.951 -4.792 330 HE ARG 41 HE ARG 41 98.212 -5.406 -6.661 331 HH11 ARG 41 HH11 ARG 41 95.270 -6.490 -6.981 332 HH12 ARG 41 HH12 ARG 41 95.583 -7.887 -7.955 333 HH21 ARG 41 HH21 ARG 41 98.992 -7.876 -7.353 334 HH22 ARG 41 HH22 ARG 41 97.685 -8.665 -8.174 335 H CYS 42 HN CYS 42 96.156 -1.299 -2.892 336 HA CYS 42 HA CYS 42 96.744 -2.605 -0.362 337 HB2 CYS 42 HB2 CYS 42 96.888 0.403 -0.691 338 HB3 CYS 42 HB1 CYS 42 96.780 -0.425 0.862 339 HG CYS 42 HG CYS 42 99.326 -0.023 0.243 340 H ARG 43 HN ARG 43 94.886 -3.134 0.528 341 HA ARG 43 HA ARG 43 92.457 -1.547 -0.103 342 HB2 ARG 43 HB2 ARG 43 92.757 -4.565 -0.049 343 HB3 ARG 43 HB1 ARG 43 91.204 -3.728 -0.076 344 HG2 ARG 43 HG2 ARG 43 91.838 -2.621 -2.194 345 HG3 ARG 43 HG1 ARG 43 93.383 -3.474 -2.169 346 HD2 ARG 43 HD2 ARG 43 90.707 -4.884 -2.127 347 HD3 ARG 43 HD1 ARG 43 91.607 -4.560 -3.607 348 HE ARG 43 HE ARG 43 93.402 -5.833 -1.951 349 HH11 ARG 43 HH11 ARG 43 91.185 -6.587 -4.306 350 HH12 ARG 43 HH12 ARG 43 90.972 -8.246 -3.861 351 HH21 ARG 43 HH21 ARG 43 92.727 -7.951 -0.891 352 HH22 ARG 43 HH22 ARG 43 91.845 -9.020 -1.931 353 H VAL 44 HN VAL 44 90.589 -2.325 1.587 354 HA VAL 44 HA VAL 44 91.792 -2.837 4.193 355 HB VAL 44 HB VAL 44 89.743 -0.675 3.626 356 HG11 VAL 44 HG11 VAL 44 91.299 -1.542 6.074 357 HG12 VAL 44 HG12 VAL 44 89.549 -1.474 5.870 358 HG13 VAL 44 HG13 VAL 44 90.482 0.018 5.968 359 HG21 VAL 44 HG21 VAL 44 91.566 0.931 4.008 360 HG22 VAL 44 HG22 VAL 44 91.936 -0.096 2.629 361 HG23 VAL 44 HG23 VAL 44 92.713 -0.395 4.183 362 H THR 45 HN THR 45 89.773 -3.345 5.741 363 HA THR 45 HA THR 45 87.503 -4.399 4.197 364 HB THR 45 HB THR 45 87.616 -6.550 5.458 365 HG1 THR 45 HG1 THR 45 90.242 -5.706 6.027 366 HG21 THR 45 HG21 THR 45 88.449 -6.385 3.140 367 HG22 THR 45 HG22 THR 45 89.414 -7.521 4.081 368 HG23 THR 45 HG23 THR 45 90.032 -5.906 3.746 369 H GLY 46 HN GLY 46 85.624 -4.749 5.430 370 HA2 GLY 46 HA2 GLY 46 84.822 -4.779 7.887 371 HA3 GLY 46 HA1 GLY 46 85.518 -3.161 7.928 372 H TYR 47 HN TYR 47 84.443 -1.454 6.906 373 HA TYR 47 HA TYR 47 81.922 -2.078 5.514 374 HB2 TYR 47 HB2 TYR 47 81.328 0.267 6.962 375 HB3 TYR 47 HB1 TYR 47 80.695 -1.344 7.289 376 HD1 TYR 47 HD1 TYR 47 81.559 -2.679 9.100 377 HD2 TYR 47 HD2 TYR 47 83.263 1.151 8.188 378 HE1 TYR 47 HE1 TYR 47 82.755 -2.700 11.269 379 HE2 TYR 47 HE2 TYR 47 84.464 1.136 10.359 380 HH TYR 47 HH TYR 47 83.794 -1.236 12.814 381 HA PRO 48 HA PRO 48 83.134 1.084 2.700 382 HB2 PRO 48 HB2 PRO 48 80.634 2.580 2.628 383 HB3 PRO 48 HB1 PRO 48 81.283 1.456 1.425 384 HG2 PRO 48 HG2 PRO 48 79.083 0.998 3.094 385 HG3 PRO 48 HG1 PRO 48 79.952 -0.219 2.146 386 HD2 PRO 48 HD2 PRO 48 80.024 0.267 5.060 387 HD3 PRO 48 HD1 PRO 48 80.484 -1.177 4.141 388 H GLN 49 HN GLN 49 84.082 3.075 2.632 389 HA GLN 49 HA GLN 49 84.889 5.082 3.305 390 HB2 GLN 49 HB2 GLN 49 82.363 5.569 3.274 391 HB3 GLN 49 HB1 GLN 49 82.449 5.438 5.030 392 HG2 GLN 49 HG2 GLN 49 84.177 7.192 5.091 393 HG3 GLN 49 HG1 GLN 49 84.129 7.309 3.332 394 HE21 GLN 49 HE21 GLN 49 83.512 9.661 3.895 395 HE22 GLN 49 HE22 GLN 49 81.868 9.987 4.164 396 HA PRO 50 HA PRO 50 86.160 3.545 7.479 397 HB2 PRO 50 HB2 PRO 50 88.724 2.709 6.428 398 HB3 PRO 50 HB1 PRO 50 87.419 1.672 7.008 399 HG2 PRO 50 HG2 PRO 50 88.253 1.796 4.382 400 HG3 PRO 50 HG1 PRO 50 86.642 1.262 4.898 401 HD2 PRO 50 HD2 PRO 50 87.490 3.968 3.875 402 HD3 PRO 50 HD1 PRO 50 86.037 3.017 3.483 403 H LYS 51 HN LYS 51 88.357 4.216 8.635 404 HA LYS 51 HA LYS 51 89.163 6.918 7.669 405 HB2 LYS 51 HB2 LYS 51 89.278 5.657 10.431 406 HB3 LYS 51 HB1 LYS 51 89.928 7.246 10.027 407 HG2 LYS 51 HG2 LYS 51 87.709 8.034 9.391 408 HG3 LYS 51 HG1 LYS 51 87.028 6.431 9.674 409 HD2 LYS 51 HD2 LYS 51 87.721 6.577 12.053 410 HD3 LYS 51 HD1 LYS 51 88.335 8.203 11.758 411 HE2 LYS 51 HE2 LYS 51 86.091 8.969 11.138 412 HE3 LYS 51 HE1 LYS 51 85.456 7.339 11.350 413 HZ1 LYS 51 HZ1 LYS 51 85.073 8.784 13.280 414 HZ2 LYS 51 HZ2 LYS 51 86.752 8.937 13.489 415 HZ3 LYS 51 HZ3 LYS 51 86.006 7.422 13.667 416 H VAL 52 HN VAL 52 91.013 6.653 6.450 417 HA VAL 52 HA VAL 52 93.260 5.273 7.709 418 HB VAL 52 HB VAL 52 93.678 3.701 6.027 419 HG11 VAL 52 HG11 VAL 52 90.666 3.866 6.159 420 HG12 VAL 52 HG12 VAL 52 91.683 3.116 7.384 421 HG13 VAL 52 HG13 VAL 52 91.607 2.435 5.766 422 HG21 VAL 52 HG21 VAL 52 92.302 3.698 3.871 423 HG22 VAL 52 HG22 VAL 52 93.490 4.987 4.029 424 HG23 VAL 52 HG23 VAL 52 91.782 5.324 4.318 425 H ASN 53 HN ASN 53 95.268 5.552 6.494 426 HA ASN 53 HA ASN 53 95.426 7.642 4.503 427 HB2 ASN 53 HB2 ASN 53 96.910 9.090 5.836 428 HB3 ASN 53 HB1 ASN 53 95.311 8.989 6.573 429 HD21 ASN 53 HD21 ASN 53 95.693 9.019 8.809 430 HD22 ASN 53 HD22 ASN 53 96.809 8.013 9.600 431 H TRP 54 HN TRP 54 97.540 7.628 3.490 432 HA TRP 54 HA TRP 54 99.202 5.289 4.301 433 HB2 TRP 54 HB2 TRP 54 99.571 6.207 1.521 434 HB3 TRP 54 HB1 TRP 54 99.322 4.581 2.143 435 HD1 TRP 54 HD1 TRP 54 96.895 3.625 2.154 436 HE1 TRP 54 HE1 TRP 54 94.709 4.425 1.057 437 HE3 TRP 54 HE3 TRP 54 98.189 8.418 0.925 438 HZ2 TRP 54 HZ2 TRP 54 93.627 6.771 -0.152 439 HZ3 TRP 54 HZ3 TRP 54 96.557 9.904 -0.194 440 HH2 TRP 54 HH2 TRP 54 94.282 9.090 -0.734 441 H TYR 55 HN TYR 55 101.447 5.455 4.100 442 HA TYR 55 HA TYR 55 102.503 8.221 3.919 443 HB2 TYR 55 HB2 TYR 55 103.446 5.996 5.743 444 HB3 TYR 55 HB1 TYR 55 104.171 7.593 5.609 445 HD1 TYR 55 HD1 TYR 55 103.040 9.578 6.530 446 HD2 TYR 55 HD2 TYR 55 101.294 5.672 6.852 447 HE1 TYR 55 HE1 TYR 55 101.495 10.408 8.286 448 HE2 TYR 55 HE2 TYR 55 99.741 6.502 8.592 449 HH TYR 55 HH TYR 55 98.804 9.158 9.104 450 H LEU 56 HN LEU 56 103.335 8.131 1.845 451 HA LEU 56 HA LEU 56 104.874 5.800 0.971 452 HB2 LEU 56 HB2 LEU 56 103.978 8.361 -0.350 453 HB3 LEU 56 HB1 LEU 56 105.182 7.320 -1.108 454 HG LEU 56 HG LEU 56 103.584 5.406 -0.932 455 HD11 LEU 56 HD11 LEU 56 102.160 5.979 0.871 456 HD12 LEU 56 HD12 LEU 56 101.129 6.166 -0.548 457 HD13 LEU 56 HD13 LEU 56 101.838 7.588 0.221 458 HD21 LEU 56 HD21 LEU 56 102.203 7.674 -2.351 459 HD22 LEU 56 HD22 LEU 56 102.366 6.005 -2.858 460 HD23 LEU 56 HD23 LEU 56 103.754 7.083 -2.928 461 H ASN 57 HN ASN 57 107.175 5.757 0.757 462 HA ASN 57 HA ASN 57 109.282 6.332 1.400 463 HB2 ASN 57 HB2 ASN 57 108.280 8.856 0.074 464 HB3 ASN 57 HB1 ASN 57 109.956 8.633 0.572 465 HD21 ASN 57 HD21 ASN 57 109.201 8.934 -2.205 466 HD22 ASN 57 HD22 ASN 57 109.545 7.472 -2.995 467 H GLY 58 HN GLY 58 106.820 7.192 3.192 468 HA2 GLY 58 HA2 GLY 58 106.929 7.721 5.489 469 HA3 GLY 58 HA1 GLY 58 108.475 8.520 5.220 470 H GLN 59 HN GLN 59 105.843 9.140 3.059 471 HA GLN 59 HA GLN 59 105.342 11.793 4.287 472 HB2 GLN 59 HB2 GLN 59 106.718 11.993 2.239 473 HB3 GLN 59 HB1 GLN 59 105.477 11.122 1.337 474 HG2 GLN 59 HG2 GLN 59 103.848 12.864 1.791 475 HG3 GLN 59 HG1 GLN 59 104.983 13.704 2.845 476 HE21 GLN 59 HE21 GLN 59 104.167 15.342 0.926 477 HE22 GLN 59 HE22 GLN 59 105.268 15.462 -0.360 478 H LEU 60 HN LEU 60 103.240 12.256 4.653 479 HA LEU 60 HA LEU 60 101.226 10.287 4.023 480 HB2 LEU 60 HB2 LEU 60 99.771 12.077 5.246 481 HB3 LEU 60 HB1 LEU 60 100.961 11.166 6.165 482 HG LEU 60 HG LEU 60 101.919 13.706 4.890 483 HD11 LEU 60 HD11 LEU 60 99.903 14.602 5.751 484 HD12 LEU 60 HD12 LEU 60 101.099 14.931 7.003 485 HD13 LEU 60 HD13 LEU 60 99.967 13.591 7.195 486 HD21 LEU 60 HD21 LEU 60 103.434 13.727 6.689 487 HD22 LEU 60 HD22 LEU 60 103.208 11.999 6.424 488 HD23 LEU 60 HD23 LEU 60 102.357 12.805 7.739 489 H ILE 61 HN ILE 61 99.312 10.645 2.911 490 HA ILE 61 HA ILE 61 98.001 11.289 1.192 491 HB ILE 61 HB ILE 61 97.383 13.230 2.389 492 HG12 ILE 61 HG12 ILE 61 96.853 14.775 0.582 493 HG13 ILE 61 HG11 ILE 61 98.119 14.087 -0.425 494 HG21 ILE 61 HG21 ILE 61 99.929 14.494 1.373 495 HG22 ILE 61 HG22 ILE 61 99.442 14.236 3.057 496 HG23 ILE 61 HG23 ILE 61 98.592 15.406 2.059 497 HD11 ILE 61 HD11 ILE 61 95.935 12.305 0.656 498 HD12 ILE 61 HD12 ILE 61 96.925 12.103 -0.792 499 HD13 ILE 61 HD13 ILE 61 95.639 13.306 -0.768 500 H ARG 62 HN ARG 62 98.334 10.616 -0.662 501 HA ARG 62 HA ARG 62 100.710 11.469 -2.223 502 HB2 ARG 62 HB2 ARG 62 100.408 9.008 -1.818 503 HB3 ARG 62 HB1 ARG 62 98.901 9.093 -2.722 504 HG2 ARG 62 HG2 ARG 62 100.677 8.363 -4.223 505 HG3 ARG 62 HG1 ARG 62 100.163 9.981 -4.687 506 HD2 ARG 62 HD2 ARG 62 102.386 9.931 -2.716 507 HD3 ARG 62 HD1 ARG 62 102.785 9.260 -4.293 508 HE ARG 62 HE ARG 62 101.474 11.658 -4.786 509 HH11 ARG 62 HH11 ARG 62 104.531 10.352 -4.167 510 HH12 ARG 62 HH12 ARG 62 105.342 11.871 -3.979 511 HH21 ARG 62 HH21 ARG 62 102.416 13.741 -4.080 512 HH22 ARG 62 HH22 ARG 62 104.142 13.792 -3.929 513 H LYS 63 HN LYS 63 100.383 12.127 -4.418 514 HA LYS 63 HA LYS 63 98.225 13.828 -4.787 515 HB2 LYS 63 HB2 LYS 63 100.489 13.691 -6.086 516 HB3 LYS 63 HB1 LYS 63 99.602 12.623 -7.175 517 HG2 LYS 63 HG2 LYS 63 99.222 14.730 -8.139 518 HG3 LYS 63 HG1 LYS 63 97.781 14.503 -7.152 519 HD2 LYS 63 HD2 LYS 63 99.545 15.689 -5.342 520 HD3 LYS 63 HD1 LYS 63 99.968 16.488 -6.854 521 HE2 LYS 63 HE2 LYS 63 97.555 17.041 -7.185 522 HE3 LYS 63 HE1 LYS 63 97.206 16.318 -5.611 523 HZ1 LYS 63 HZ1 LYS 63 98.011 18.087 -4.542 524 HZ2 LYS 63 HZ2 LYS 63 97.877 18.908 -6.024 525 HZ3 LYS 63 HZ3 LYS 63 99.362 18.226 -5.557 526 H SER 64 HN SER 64 96.309 13.747 -5.726 527 HA SER 64 HA SER 64 94.951 11.233 -5.899 528 HB2 SER 64 HB2 SER 64 93.875 13.277 -5.037 529 HB3 SER 64 HB1 SER 64 94.006 14.009 -6.633 530 HG SER 64 HG SER 64 92.827 11.484 -6.384 531 H LYS 65 HN LYS 65 93.250 12.562 -8.074 532 HA LYS 65 HA LYS 65 93.157 11.116 -10.157 533 HB2 LYS 65 HB2 LYS 65 93.593 14.090 -10.361 534 HB3 LYS 65 HB1 LYS 65 93.057 13.095 -11.713 535 HG2 LYS 65 HG2 LYS 65 91.113 12.337 -10.381 536 HG3 LYS 65 HG1 LYS 65 91.645 13.355 -9.039 537 HD2 LYS 65 HD2 LYS 65 91.454 15.352 -10.476 538 HD3 LYS 65 HD1 LYS 65 90.918 14.336 -11.814 539 HE2 LYS 65 HE2 LYS 65 88.960 13.620 -10.497 540 HE3 LYS 65 HE1 LYS 65 89.490 14.634 -9.155 541 HZ1 LYS 65 HZ1 LYS 65 89.227 16.575 -10.482 542 HZ2 LYS 65 HZ2 LYS 65 87.793 15.675 -10.616 543 HZ3 LYS 65 HZ3 LYS 65 88.928 15.663 -11.881 544 H ARG 66 HN ARG 66 96.189 12.925 -9.664 545 HA ARG 66 HA ARG 66 97.309 12.410 -12.207 546 HB2 ARG 66 HB2 ARG 66 98.247 13.989 -10.514 547 HB3 ARG 66 HB1 ARG 66 98.738 12.609 -9.541 548 HG2 ARG 66 HG2 ARG 66 100.723 12.863 -10.690 549 HG3 ARG 66 HG1 ARG 66 99.896 11.901 -11.905 550 HD2 ARG 66 HD2 ARG 66 99.890 14.936 -11.853 551 HD3 ARG 66 HD1 ARG 66 100.991 13.963 -12.820 552 HE ARG 66 HE ARG 66 98.576 13.015 -13.582 553 HH11 ARG 66 HH11 ARG 66 97.086 15.407 -12.960 554 HH12 ARG 66 HH12 ARG 66 97.329 16.442 -14.328 555 HH21 ARG 66 HH21 ARG 66 100.105 14.710 -15.480 556 HH22 ARG 66 HH22 ARG 66 99.046 16.055 -15.747 557 H PHE 67 HN PHE 67 97.218 10.530 -9.219 558 HA PHE 67 HA PHE 67 98.146 8.133 -10.707 559 HB2 PHE 67 HB2 PHE 67 98.469 8.643 -7.735 560 HB3 PHE 67 HB1 PHE 67 99.071 7.261 -8.646 561 HD1 PHE 67 HD1 PHE 67 100.472 8.030 -10.863 562 HD2 PHE 67 HD2 PHE 67 100.059 10.273 -7.223 563 HE1 PHE 67 HE1 PHE 67 102.567 9.251 -11.379 564 HE2 PHE 67 HE2 PHE 67 102.152 11.493 -7.736 565 HZ PHE 67 HZ PHE 67 103.409 10.985 -9.812 566 H ARG 68 HN ARG 68 97.172 6.068 -9.756 567 HA ARG 68 HA ARG 68 94.346 6.398 -9.572 568 HB2 ARG 68 HB2 ARG 68 96.141 4.009 -9.127 569 HB3 ARG 68 HB1 ARG 68 94.378 3.926 -9.116 570 HG2 ARG 68 HG2 ARG 68 94.286 4.765 -11.408 571 HG3 ARG 68 HG1 ARG 68 96.038 4.975 -11.427 572 HD2 ARG 68 HD2 ARG 68 95.465 2.888 -12.557 573 HD3 ARG 68 HD1 ARG 68 96.307 2.527 -11.054 574 HE ARG 68 HE ARG 68 93.493 2.562 -10.628 575 HH11 ARG 68 HH11 ARG 68 96.261 0.665 -11.240 576 HH12 ARG 68 HH12 ARG 68 95.404 -0.830 -11.412 577 HH21 ARG 68 HH21 ARG 68 92.267 0.642 -11.191 578 HH22 ARG 68 HH22 ARG 68 93.141 -0.841 -11.383 579 H VAL 69 HN VAL 69 93.374 7.216 -7.846 580 HA VAL 69 HA VAL 69 93.947 6.079 -5.195 581 HB VAL 69 HB VAL 69 93.899 9.038 -5.844 582 HG11 VAL 69 HG11 VAL 69 92.636 8.834 -3.846 583 HG12 VAL 69 HG12 VAL 69 94.270 9.208 -3.299 584 HG13 VAL 69 HG13 VAL 69 93.672 7.550 -3.225 585 HG21 VAL 69 HG21 VAL 69 96.108 8.196 -6.161 586 HG22 VAL 69 HG22 VAL 69 95.995 7.142 -4.753 587 HG23 VAL 69 HG23 VAL 69 96.112 8.890 -4.538 588 H ARG 70 HN ARG 70 92.115 5.712 -4.037 589 HA ARG 70 HA ARG 70 89.679 7.220 -4.640 590 HB2 ARG 70 HB2 ARG 70 89.475 5.229 -6.064 591 HB3 ARG 70 HB1 ARG 70 89.832 4.193 -4.692 592 HG2 ARG 70 HG2 ARG 70 87.460 4.131 -4.920 593 HG3 ARG 70 HG1 ARG 70 87.744 5.211 -3.564 594 HD2 ARG 70 HD2 ARG 70 87.432 7.161 -4.990 595 HD3 ARG 70 HD1 ARG 70 87.326 6.140 -6.420 596 HE ARG 70 HE ARG 70 85.342 5.421 -4.490 597 HH11 ARG 70 HH11 ARG 70 85.265 5.999 -7.601 598 HH12 ARG 70 HH12 ARG 70 84.051 7.234 -7.638 599 HH21 ARG 70 HH21 ARG 70 84.154 7.806 -4.212 600 HH22 ARG 70 HH22 ARG 70 83.419 8.260 -5.713 601 H TYR 71 HN TYR 71 89.612 8.171 -2.664 602 HA TYR 71 HA TYR 71 90.372 6.799 -0.275 603 HB2 TYR 71 HB2 TYR 71 90.364 9.348 -0.791 604 HB3 TYR 71 HB1 TYR 71 88.659 9.284 -0.364 605 HD1 TYR 71 HD1 TYR 71 88.019 8.301 1.922 606 HD2 TYR 71 HD2 TYR 71 92.039 9.460 0.897 607 HE1 TYR 71 HE1 TYR 71 88.604 8.410 4.330 608 HE2 TYR 71 HE2 TYR 71 92.618 9.551 3.307 609 HH TYR 71 HH TYR 71 91.918 9.234 5.379 610 H ASP 72 HN ASP 72 89.122 4.929 -0.205 611 HA ASP 72 HA ASP 72 86.666 5.097 1.200 612 HB2 ASP 72 HB2 ASP 72 85.962 5.697 -1.179 613 HB3 ASP 72 HB1 ASP 72 86.424 4.059 -1.629 614 H GLY 73 HN GLY 73 89.360 3.816 1.090 615 HA2 GLY 73 HA2 GLY 73 89.830 1.760 2.268 616 HA3 GLY 73 HA1 GLY 73 88.508 0.994 1.388 617 H ILE 74 HN ILE 74 89.446 2.498 -1.089 618 HA ILE 74 HA ILE 74 91.511 0.539 -1.890 619 HB ILE 74 HB ILE 74 89.603 2.231 -3.501 620 HG12 ILE 74 HG12 ILE 74 89.755 -0.776 -3.183 621 HG13 ILE 74 HG11 ILE 74 88.715 0.244 -2.185 622 HG21 ILE 74 HG21 ILE 74 91.557 1.968 -4.844 623 HG22 ILE 74 HG22 ILE 74 90.441 0.714 -5.385 624 HG23 ILE 74 HG23 ILE 74 91.782 0.298 -4.316 625 HD11 ILE 74 HD11 ILE 74 88.626 -0.079 -5.188 626 HD12 ILE 74 HD12 ILE 74 87.721 1.157 -4.317 627 HD13 ILE 74 HD13 ILE 74 87.384 -0.549 -4.029 628 H HIS 75 HN HIS 75 93.507 1.226 -1.982 629 HA HIS 75 HA HIS 75 94.105 3.869 -3.130 630 HB2 HIS 75 HB2 HIS 75 96.050 3.740 -1.210 631 HB3 HIS 75 HB1 HIS 75 94.532 4.611 -1.012 632 HD1 HIS 75 HD1 HIS 75 96.515 2.011 0.516 633 HD2 HIS 75 HD2 HIS 75 92.439 2.845 0.247 634 HE1 HIS 75 HE1 HIS 75 95.393 0.707 2.374 635 H TYR 76 HN TYR 76 95.067 3.239 -4.958 636 HA TYR 76 HA TYR 76 97.131 1.117 -4.890 637 HB2 TYR 76 HB2 TYR 76 95.459 2.357 -7.062 638 HB3 TYR 76 HB1 TYR 76 96.997 1.614 -7.490 639 HD1 TYR 76 HD1 TYR 76 94.320 0.702 -5.003 640 HD2 TYR 76 HD2 TYR 76 96.617 -0.486 -8.433 641 HE1 TYR 76 HE1 TYR 76 93.247 -1.532 -4.952 642 HE2 TYR 76 HE2 TYR 76 95.547 -2.720 -8.376 643 HH TYR 76 HH TYR 76 93.568 -3.744 -5.710 644 H LEU 77 HN LEU 77 99.212 1.617 -4.911 645 HA LEU 77 HA LEU 77 100.026 4.410 -5.495 646 HB2 LEU 77 HB2 LEU 77 101.544 2.316 -3.939 647 HB3 LEU 77 HB1 LEU 77 101.853 4.051 -4.006 648 HG LEU 77 HG LEU 77 99.382 2.726 -2.848 649 HD11 LEU 77 HD11 LEU 77 100.287 3.793 -0.724 650 HD12 LEU 77 HD12 LEU 77 101.784 4.081 -1.610 651 HD13 LEU 77 HD13 LEU 77 101.219 2.432 -1.348 652 HD21 LEU 77 HD21 LEU 77 100.095 5.590 -3.452 653 HD22 LEU 77 HD22 LEU 77 99.134 5.245 -2.015 654 HD23 LEU 77 HD23 LEU 77 98.542 4.767 -3.604 655 H ASP 78 HN ASP 78 100.642 4.461 -7.632 656 HA ASP 78 HA ASP 78 102.468 2.318 -8.595 657 HB2 ASP 78 HB2 ASP 78 100.563 4.116 -10.102 658 HB3 ASP 78 HB1 ASP 78 101.697 2.999 -10.860 659 H ILE 79 HN ILE 79 104.405 2.809 -9.495 660 HA ILE 79 HA ILE 79 105.288 5.636 -9.424 661 HB ILE 79 HB ILE 79 106.926 3.099 -9.677 662 HG12 ILE 79 HG12 ILE 79 106.699 5.004 -7.326 663 HG13 ILE 79 HG11 ILE 79 105.818 3.483 -7.427 664 HG21 ILE 79 HG21 ILE 79 108.160 4.804 -10.727 665 HG22 ILE 79 HG22 ILE 79 108.771 4.832 -9.074 666 HG23 ILE 79 HG23 ILE 79 107.597 6.037 -9.601 667 HD11 ILE 79 HD11 ILE 79 107.646 2.624 -6.364 668 HD12 ILE 79 HD12 ILE 79 108.675 3.971 -6.841 669 HD13 ILE 79 HD13 ILE 79 108.393 2.642 -7.964 670 H VAL 80 HN VAL 80 106.655 6.365 -11.272 671 HA VAL 80 HA VAL 80 106.025 4.949 -13.809 672 HB VAL 80 HB VAL 80 105.847 7.914 -13.197 673 HG11 VAL 80 HG11 VAL 80 105.185 8.009 -15.677 674 HG12 VAL 80 HG12 VAL 80 105.932 6.417 -15.817 675 HG13 VAL 80 HG13 VAL 80 106.899 7.806 -15.319 676 HG21 VAL 80 HG21 VAL 80 103.529 7.674 -13.853 677 HG22 VAL 80 HG22 VAL 80 103.876 6.429 -12.654 678 HG23 VAL 80 HG23 VAL 80 103.795 6.007 -14.365 679 H ASP 81 HN ASP 81 107.574 5.505 -15.539 680 HA ASP 81 HA ASP 81 110.243 5.229 -14.724 681 HB2 ASP 81 HB2 ASP 81 108.980 6.098 -17.324 682 HB3 ASP 81 HB1 ASP 81 110.730 5.991 -17.140 683 H CYS 82 HN CYS 82 110.081 6.985 -13.042 684 HA CYS 82 HA CYS 82 111.821 8.992 -13.324 685 HB2 CYS 82 HB2 CYS 82 109.281 9.762 -14.672 686 HB3 CYS 82 HB1 CYS 82 109.972 10.979 -13.607 687 HG CYS 82 HG CYS 82 111.974 9.767 -15.610 688 H LYS 83 HN LYS 83 111.938 10.357 -11.520 689 HA LYS 83 HA LYS 83 111.589 11.000 -9.351 690 HB2 LYS 83 HB2 LYS 83 108.684 10.357 -9.936 691 HB3 LYS 83 HB1 LYS 83 109.287 11.292 -8.574 692 HG2 LYS 83 HG2 LYS 83 110.178 12.987 -10.081 693 HG3 LYS 83 HG1 LYS 83 109.680 12.032 -11.482 694 HD2 LYS 83 HD2 LYS 83 107.317 12.163 -10.668 695 HD3 LYS 83 HD1 LYS 83 107.855 13.252 -9.389 696 HE2 LYS 83 HE2 LYS 83 108.125 13.741 -12.370 697 HE3 LYS 83 HE1 LYS 83 106.969 14.526 -11.295 698 HZ1 LYS 83 HZ1 LYS 83 108.744 16.010 -11.491 699 HZ2 LYS 83 HZ2 LYS 83 109.916 14.790 -11.322 700 HZ3 LYS 83 HZ3 LYS 83 108.981 15.267 -9.985 701 H SER 84 HN SER 84 112.701 8.619 -9.340 702 HA SER 84 HA SER 84 111.206 7.130 -7.293 703 HB2 SER 84 HB2 SER 84 111.257 5.151 -8.454 704 HB3 SER 84 HB1 SER 84 111.296 6.231 -9.843 705 HG SER 84 HG SER 84 113.140 5.349 -10.252 706 H TYR 85 HN TYR 85 114.317 7.847 -8.848 707 HA TYR 85 HA TYR 85 116.021 6.368 -7.256 708 HB2 TYR 85 HB2 TYR 85 116.939 7.435 -9.159 709 HB3 TYR 85 HB1 TYR 85 116.450 9.029 -8.601 710 HD1 TYR 85 HD1 TYR 85 118.222 6.216 -6.805 711 HD2 TYR 85 HD2 TYR 85 118.405 10.267 -8.224 712 HE1 TYR 85 HE1 TYR 85 120.394 6.510 -5.674 713 HE2 TYR 85 HE2 TYR 85 120.588 10.556 -7.085 714 HH TYR 85 HH TYR 85 121.678 9.007 -4.775 715 H ASP 86 HN ASP 86 114.650 6.668 -5.152 716 HA ASP 86 HA ASP 86 116.253 8.280 -3.382 717 HB2 ASP 86 HB2 ASP 86 114.409 9.594 -2.491 718 HB3 ASP 86 HB1 ASP 86 114.605 9.935 -4.209 719 H THR 87 HN THR 87 116.586 6.929 -1.727 720 HA THR 87 HA THR 87 114.777 4.733 -1.262 721 HB THR 87 HB THR 87 116.409 3.884 0.210 722 HG1 THR 87 HG1 THR 87 117.383 6.543 0.334 723 HG21 THR 87 HG21 THR 87 117.106 4.360 -2.282 724 HG22 THR 87 HG22 THR 87 118.324 3.838 -1.119 725 HG23 THR 87 HG23 THR 87 118.187 5.544 -1.546 726 H GLY 88 HN GLY 88 113.021 4.814 -0.015 727 HA2 GLY 88 HA2 GLY 88 113.040 6.551 2.383 728 HA3 GLY 88 HA1 GLY 88 111.686 6.574 1.255 729 H GLU 89 HN GLU 89 110.272 5.882 2.957 730 HA GLU 89 HA GLU 89 110.299 2.962 3.289 731 HB2 GLU 89 HB2 GLU 89 109.747 3.272 5.740 732 HB3 GLU 89 HB1 GLU 89 111.417 3.623 5.296 733 HG2 GLU 89 HG2 GLU 89 109.314 5.789 5.367 734 HG3 GLU 89 HG1 GLU 89 110.216 5.333 6.810 735 H VAL 90 HN VAL 90 108.268 2.055 3.581 736 HA VAL 90 HA VAL 90 105.977 3.903 3.281 737 HB VAL 90 HB VAL 90 106.433 1.079 2.282 738 HG11 VAL 90 HG11 VAL 90 104.055 1.384 1.350 739 HG12 VAL 90 HG12 VAL 90 103.878 2.682 2.531 740 HG13 VAL 90 HG13 VAL 90 104.186 1.032 3.073 741 HG21 VAL 90 HG21 VAL 90 105.710 2.267 0.114 742 HG22 VAL 90 HG22 VAL 90 107.309 2.662 0.741 743 HG23 VAL 90 HG23 VAL 90 105.967 3.771 0.988 744 H LYS 91 HN LYS 91 104.270 3.683 4.594 745 HA LYS 91 HA LYS 91 104.086 1.485 6.493 746 HB2 LYS 91 HB2 LYS 91 105.470 3.266 7.621 747 HB3 LYS 91 HB1 LYS 91 104.125 4.385 7.403 748 HG2 LYS 91 HG2 LYS 91 102.671 2.951 8.745 749 HG3 LYS 91 HG1 LYS 91 103.953 1.753 8.888 750 HD2 LYS 91 HD2 LYS 91 105.365 3.394 10.072 751 HD3 LYS 91 HD1 LYS 91 104.069 4.587 9.956 752 HE2 LYS 91 HE2 LYS 91 103.757 1.883 11.283 753 HE3 LYS 91 HE1 LYS 91 104.134 3.365 12.161 754 HZ1 LYS 91 HZ1 LYS 91 101.822 3.283 10.338 755 HZ2 LYS 91 HZ2 LYS 91 102.084 4.268 11.696 756 HZ3 LYS 91 HZ3 LYS 91 101.684 2.630 11.898 757 H VAL 92 HN VAL 92 101.979 0.932 6.626 758 HA VAL 92 HA VAL 92 99.982 2.895 5.627 759 HB VAL 92 HB VAL 92 98.656 0.926 4.975 760 HG11 VAL 92 HG11 VAL 92 99.776 0.529 2.945 761 HG12 VAL 92 HG12 VAL 92 101.365 0.715 3.693 762 HG13 VAL 92 HG13 VAL 92 100.335 2.125 3.451 763 HG21 VAL 92 HG21 VAL 92 99.816 -1.283 4.860 764 HG22 VAL 92 HG22 VAL 92 99.565 -0.739 6.511 765 HG23 VAL 92 HG23 VAL 92 101.156 -0.588 5.766 766 H THR 93 HN THR 93 98.378 3.421 6.898 767 HA THR 93 HA THR 93 97.937 1.852 9.381 768 HB THR 93 HB THR 93 97.415 4.000 10.495 769 HG1 THR 93 HG1 THR 93 97.042 5.565 9.157 770 HG21 THR 93 HG21 THR 93 100.154 4.229 9.255 771 HG22 THR 93 HG22 THR 93 99.774 2.914 10.368 772 HG23 THR 93 HG23 THR 93 99.661 4.588 10.909 773 H ALA 94 HN ALA 94 96.031 1.033 9.462 774 HA ALA 94 HA ALA 94 93.721 2.433 8.252 775 HB1 ALA 94 HB1 ALA 94 94.189 0.496 6.872 776 HB2 ALA 94 HB2 ALA 94 92.781 0.126 7.868 777 HB3 ALA 94 HB3 ALA 94 94.360 -0.531 8.296 778 H GLU 95 HN GLU 95 92.090 2.782 9.692 779 HA GLU 95 HA GLU 95 91.861 1.046 12.033 780 HB2 GLU 95 HB2 GLU 95 91.886 2.979 13.598 781 HB3 GLU 95 HB1 GLU 95 93.442 2.685 12.829 782 HG2 GLU 95 HG2 GLU 95 93.339 4.960 12.452 783 HG3 GLU 95 HG1 GLU 95 92.430 4.447 11.035 784 H ASN 96 HN ASN 96 89.913 0.821 12.767 785 HA ASN 96 HA ASN 96 87.730 2.442 11.615 786 HB2 ASN 96 HB2 ASN 96 87.203 -0.163 13.008 787 HB3 ASN 96 HB1 ASN 96 86.403 0.539 11.604 788 HD21 ASN 96 HD21 ASN 96 89.406 -1.146 12.600 789 HD22 ASN 96 HD22 ASN 96 89.762 -1.738 11.051 790 HA PRO 97 HA PRO 97 86.836 3.949 15.645 791 HB2 PRO 97 HB2 PRO 97 84.066 3.145 15.959 792 HB3 PRO 97 HB1 PRO 97 84.706 4.735 15.526 793 HG2 PRO 97 HG2 PRO 97 83.321 2.981 13.829 794 HG3 PRO 97 HG1 PRO 97 84.228 4.418 13.342 795 HD2 PRO 97 HD2 PRO 97 84.969 1.572 13.059 796 HD3 PRO 97 HD1 PRO 97 85.596 2.985 12.193 797 H GLU 98 HN GLU 98 86.225 0.564 15.170 798 HA GLU 98 HA GLU 98 86.125 0.085 18.087 799 HB2 GLU 98 HB2 GLU 98 85.587 -1.756 15.745 800 HB3 GLU 98 HB1 GLU 98 85.526 -2.238 17.440 801 HG2 GLU 98 HG2 GLU 98 83.281 -1.736 16.985 802 HG3 GLU 98 HG1 GLU 98 83.861 -0.240 17.708 803 H GLY 99 HN GLY 99 88.509 0.326 15.760 804 HA2 GLY 99 HA2 GLY 99 90.404 -0.984 17.439 805 HA3 GLY 99 HA1 GLY 99 90.045 -1.946 16.010 806 H VAL 100 HN VAL 100 92.532 -1.238 16.276 807 HA VAL 100 HA VAL 100 92.994 0.801 14.190 808 HB VAL 100 HB VAL 100 95.045 1.508 15.477 809 HG11 VAL 100 HG11 VAL 100 92.279 1.934 16.627 810 HG12 VAL 100 HG12 VAL 100 93.193 3.005 15.567 811 HG13 VAL 100 HG13 VAL 100 93.692 2.789 17.244 812 HG21 VAL 100 HG21 VAL 100 95.034 -0.596 16.919 813 HG22 VAL 100 HG22 VAL 100 93.690 0.119 17.809 814 HG23 VAL 100 HG23 VAL 100 95.263 0.913 17.800 815 H ILE 101 HN ILE 101 94.982 0.484 13.018 816 HA ILE 101 HA ILE 101 96.458 -2.005 13.471 817 HB ILE 101 HB ILE 101 95.420 -1.500 10.685 818 HG12 ILE 101 HG12 ILE 101 94.065 -3.200 12.806 819 HG13 ILE 101 HG11 ILE 101 93.418 -1.704 12.128 820 HG21 ILE 101 HG21 ILE 101 97.351 -3.110 11.347 821 HG22 ILE 101 HG22 ILE 101 96.075 -3.727 10.297 822 HG23 ILE 101 HG23 ILE 101 96.076 -4.131 12.012 823 HD11 ILE 101 HD11 ILE 101 93.855 -4.355 10.746 824 HD12 ILE 101 HD12 ILE 101 93.699 -2.861 9.821 825 HD13 ILE 101 HD13 ILE 101 92.373 -3.406 10.849 826 H GLU 102 HN GLU 102 98.542 -2.001 12.573 827 HA GLU 102 HA GLU 102 99.379 0.186 10.844 828 HB2 GLU 102 HB2 GLU 102 101.185 0.915 12.416 829 HB3 GLU 102 HB1 GLU 102 99.562 1.296 12.989 830 HG2 GLU 102 HG2 GLU 102 99.604 -0.793 14.363 831 HG3 GLU 102 HG1 GLU 102 101.271 -1.052 13.857 832 H HIS 103 HN HIS 103 101.042 -0.437 9.531 833 HA HIS 103 HA HIS 103 102.649 -2.814 10.296 834 HB2 HIS 103 HB2 HIS 103 101.760 -2.373 7.449 835 HB3 HIS 103 HB1 HIS 103 102.318 -3.853 8.223 836 HD1 HIS 103 HD1 HIS 103 100.423 -5.441 8.397 837 HD2 HIS 103 HD2 HIS 103 99.174 -1.514 9.041 838 HE1 HIS 103 HE1 HIS 103 97.936 -5.540 8.859 839 H LYS 104 HN LYS 104 104.800 -2.575 9.933 840 HA LYS 104 HA LYS 104 105.708 -0.118 8.567 841 HB2 LYS 104 HB2 LYS 104 107.964 -0.845 9.578 842 HB3 LYS 104 HB1 LYS 104 106.723 -0.250 10.678 843 HG2 LYS 104 HG2 LYS 104 106.731 -3.199 10.131 844 HG3 LYS 104 HG1 LYS 104 108.049 -2.567 11.113 845 HD2 LYS 104 HD2 LYS 104 106.403 -1.503 12.629 846 HD3 LYS 104 HD1 LYS 104 105.092 -2.187 11.671 847 HE2 LYS 104 HE2 LYS 104 107.240 -3.789 13.084 848 HE3 LYS 104 HE1 LYS 104 105.584 -3.581 13.653 849 HZ1 LYS 104 HZ1 LYS 104 106.608 -5.240 11.509 850 HZ2 LYS 104 HZ2 LYS 104 105.182 -4.395 11.139 851 HZ3 LYS 104 HZ3 LYS 104 105.228 -5.443 12.474 852 H VAL 105 HN VAL 105 106.894 -0.139 6.779 853 HA VAL 105 HA VAL 105 107.930 -2.654 5.663 854 HB VAL 105 HB VAL 105 106.296 -0.744 3.995 855 HG11 VAL 105 HG11 VAL 105 106.346 -2.439 2.374 856 HG12 VAL 105 HG12 VAL 105 106.730 -3.694 3.553 857 HG13 VAL 105 HG13 VAL 105 107.962 -2.531 3.073 858 HG21 VAL 105 HG21 VAL 105 104.486 -2.542 4.246 859 HG22 VAL 105 HG22 VAL 105 104.735 -1.488 5.639 860 HG23 VAL 105 HG23 VAL 105 105.401 -3.120 5.637 861 H LYS 106 HN LYS 106 109.755 -2.361 4.359 862 HA LYS 106 HA LYS 106 110.796 0.420 4.194 863 HB2 LYS 106 HB2 LYS 106 112.033 -1.130 5.727 864 HB3 LYS 106 HB1 LYS 106 112.391 -2.145 4.330 865 HG2 LYS 106 HG2 LYS 106 113.544 -0.283 3.231 866 HG3 LYS 106 HG1 LYS 106 113.142 0.781 4.578 867 HD2 LYS 106 HD2 LYS 106 114.450 -0.637 6.108 868 HD3 LYS 106 HD1 LYS 106 114.846 -1.721 4.773 869 HE2 LYS 106 HE2 LYS 106 115.956 0.133 3.593 870 HE3 LYS 106 HE1 LYS 106 115.568 1.218 4.927 871 HZ1 LYS 106 HZ1 LYS 106 116.868 -1.195 5.774 872 HZ2 LYS 106 HZ2 LYS 106 117.237 0.421 6.144 873 HZ3 LYS 106 HZ3 LYS 106 117.821 -0.281 4.711 874 H LEU 107 HN LEU 107 110.934 1.215 2.208 875 HA LEU 107 HA LEU 107 111.489 -0.623 -0.059 876 HB2 LEU 107 HB2 LEU 107 109.547 1.687 0.114 877 HB3 LEU 107 HB1 LEU 107 110.223 1.177 -1.433 878 HG LEU 107 HG LEU 107 109.416 -1.145 -0.968 879 HD11 LEU 107 HD11 LEU 107 108.962 -1.585 1.204 880 HD12 LEU 107 HD12 LEU 107 107.392 -0.857 0.892 881 HD13 LEU 107 HD13 LEU 107 108.682 0.106 1.610 882 HD21 LEU 107 HD21 LEU 107 106.919 -0.488 -1.205 883 HD22 LEU 107 HD22 LEU 107 108.047 0.103 -2.427 884 HD23 LEU 107 HD23 LEU 107 107.495 1.180 -1.145 885 H GLU 108 HN GLU 108 113.334 -0.160 -1.065 886 HA GLU 108 HA GLU 108 114.434 2.573 -0.819 887 HB2 GLU 108 HB2 GLU 108 116.070 1.552 0.392 888 HB3 GLU 108 HB1 GLU 108 115.548 -0.047 -0.114 889 HG2 GLU 108 HG2 GLU 108 116.787 0.152 -2.199 890 HG3 GLU 108 HG1 GLU 108 117.220 1.823 -1.815 891 H ILE 109 HN ILE 109 114.746 3.590 -2.720 892 HA ILE 109 HA ILE 109 114.683 1.949 -5.193 893 HB ILE 109 HB ILE 109 114.265 4.921 -4.896 894 HG12 ILE 109 HG12 ILE 109 112.157 2.747 -5.128 895 HG13 ILE 109 HG11 ILE 109 112.550 3.596 -3.639 896 HG21 ILE 109 HG21 ILE 109 113.906 2.909 -7.130 897 HG22 ILE 109 HG22 ILE 109 114.836 4.399 -7.146 898 HG23 ILE 109 HG23 ILE 109 113.080 4.459 -7.158 899 HD11 ILE 109 HD11 ILE 109 111.645 4.987 -6.172 900 HD12 ILE 109 HD12 ILE 109 111.853 5.711 -4.578 901 HD13 ILE 109 HD13 ILE 109 110.560 4.545 -4.855 902 H GLN 110 HN GLN 110 116.665 1.559 -5.993 903 HA GLN 110 HA GLN 110 118.863 3.434 -5.488 904 HB2 GLN 110 HB2 GLN 110 118.798 0.654 -6.683 905 HB3 GLN 110 HB1 GLN 110 120.265 1.606 -6.439 906 HG2 GLN 110 HG2 GLN 110 119.853 1.711 -4.041 907 HG3 GLN 110 HG1 GLN 110 118.324 0.854 -4.237 908 HE21 GLN 110 HE21 GLN 110 119.842 -0.504 -2.563 909 HE22 GLN 110 HE22 GLN 110 120.671 -1.789 -3.295 910 H GLN 111 HN GLN 111 119.920 1.988 -8.140 911 HA GLN 111 HA GLN 111 118.578 3.649 -10.139 912 HB2 GLN 111 HB2 GLN 111 121.545 3.834 -9.560 913 HB3 GLN 111 HB1 GLN 111 120.728 4.589 -10.927 914 HG2 GLN 111 HG2 GLN 111 119.325 5.894 -9.335 915 HG3 GLN 111 HG1 GLN 111 120.217 5.176 -7.995 916 HE21 GLN 111 HE21 GLN 111 121.687 6.678 -7.217 917 HE22 GLN 111 HE22 GLN 111 122.644 7.694 -8.184 918 H LEU 112 HN LEU 112 119.003 3.003 -12.307 919 HA LEU 112 HA LEU 112 119.439 0.213 -12.675 920 HB2 LEU 112 HB2 LEU 112 118.016 1.534 -14.196 921 HB3 LEU 112 HB1 LEU 112 119.424 2.460 -14.710 922 HG LEU 112 HG LEU 112 120.468 0.403 -15.586 923 HD11 LEU 112 HD11 LEU 112 118.032 -0.861 -14.352 924 HD12 LEU 112 HD12 LEU 112 119.708 -1.408 -14.330 925 HD13 LEU 112 HD13 LEU 112 118.741 -1.594 -15.791 926 HD21 LEU 112 HD21 LEU 112 118.879 0.037 -17.462 927 HD22 LEU 112 HD22 LEU 112 119.062 1.748 -17.075 928 HD23 LEU 112 HD23 LEU 112 117.626 0.874 -16.543 929 H GLU 113 HN GLU 113 121.254 -0.902 -13.042 930 HA GLU 113 HA GLU 113 123.781 0.208 -12.577 931 HB2 GLU 113 HB2 GLU 113 123.008 -2.345 -14.007 932 HB3 GLU 113 HB1 GLU 113 124.656 -1.934 -13.527 933 HG2 GLU 113 HG2 GLU 113 123.972 -1.804 -11.178 934 HG3 GLU 113 HG1 GLU 113 122.299 -2.138 -11.629 935 H HIS 114 HN HIS 114 123.105 -1.387 -15.683 936 HA HIS 114 HA HIS 114 124.742 0.640 -17.038 937 HB2 HIS 114 HB2 HIS 114 123.598 -2.001 -17.964 938 HB3 HIS 114 HB1 HIS 114 124.518 -0.908 -18.998 939 HD1 HIS 114 HD1 HIS 114 127.003 -0.290 -18.057 940 HD2 HIS 114 HD2 HIS 114 125.191 -3.667 -16.414 941 HE1 HIS 114 HE1 HIS 114 128.843 -1.610 -16.922 942 H HIS 115 HN HIS 115 123.924 2.243 -18.182 943 HA HIS 115 HA HIS 115 121.041 2.455 -18.533 944 HB2 HIS 115 HB2 HIS 115 121.948 4.720 -19.659 945 HB3 HIS 115 HB1 HIS 115 121.820 4.537 -17.912 946 HD1 HIS 115 HD1 HIS 115 124.446 3.747 -20.582 947 HD2 HIS 115 HD2 HIS 115 124.193 5.156 -16.670 948 HE1 HIS 115 HE1 HIS 115 126.815 4.254 -19.851 949 H HIS 116 HN HIS 116 123.901 2.699 -20.689 950 HA HIS 116 HA HIS 116 122.504 1.241 -22.769 951 HB2 HIS 116 HB2 HIS 116 122.454 2.956 -24.417 952 HB3 HIS 116 HB1 HIS 116 121.732 3.656 -22.972 953 HD1 HIS 116 HD1 HIS 116 124.820 3.887 -21.716 954 HD2 HIS 116 HD2 HIS 116 123.267 5.643 -25.161 955 HE1 HIS 116 HE1 HIS 116 126.262 5.914 -22.199 956 H HIS 117 HN HIS 117 123.905 0.982 -24.725 957 HA HIS 117 HA HIS 117 126.519 0.155 -23.936 958 HB2 HIS 117 HB2 HIS 117 126.808 -0.312 -26.370 959 HB3 HIS 117 HB1 HIS 117 125.332 -1.016 -25.707 960 HD1 HIS 117 HD1 HIS 117 126.554 1.751 -27.947 961 HD2 HIS 117 HD2 HIS 117 122.923 0.145 -26.670 962 HE1 HIS 117 HE1 HIS 117 124.759 2.802 -29.390 963 H HIS 118 HN HIS 118 128.472 1.131 -24.204 964 HA HIS 118 HA HIS 118 128.526 3.967 -24.669 965 HB2 HIS 118 HB2 HIS 118 130.056 2.983 -23.048 966 HB3 HIS 118 HB1 HIS 118 130.763 1.955 -24.295 967 HD1 HIS 118 HD1 HIS 118 130.161 5.697 -23.803 968 HD2 HIS 118 HD2 HIS 118 133.027 3.103 -25.364 969 HE1 HIS 118 HE1 HIS 118 132.088 7.144 -24.577 970 H HIS 119 HN HIS 119 129.086 5.053 -26.493 971 HA HIS 119 HA HIS 119 128.810 4.011 -29.012 972 HB2 HIS 119 HB2 HIS 119 130.695 6.261 -28.268 973 HB3 HIS 119 HB1 HIS 119 130.009 5.957 -29.862 974 HD1 HIS 119 HD1 HIS 119 129.005 7.019 -26.375 975 HD2 HIS 119 HD2 HIS 119 127.388 6.907 -30.217 976 HE1 HIS 119 HE1 HIS 119 126.861 8.363 -26.289 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 70.783 -1.098 -12.169 2 H2 ARG 1 HT2 ARG 1 70.725 -0.980 -10.476 3 H3 ARG 1 HT3 ARG 1 69.686 -2.048 -11.292 4 HA ARG 1 HA ARG 1 72.169 -2.618 -10.227 5 HB2 ARG 1 HB2 ARG 1 70.365 -4.114 -12.153 6 HB3 ARG 1 HB1 ARG 1 71.709 -4.848 -11.280 7 HG2 ARG 1 HG2 ARG 1 70.681 -4.269 -9.139 8 HG3 ARG 1 HG1 ARG 1 69.362 -3.446 -9.974 9 HD2 ARG 1 HD2 ARG 1 68.622 -5.673 -9.331 10 HD3 ARG 1 HD1 ARG 1 68.778 -5.603 -11.084 11 HE ARG 1 HE ARG 1 71.212 -6.516 -9.966 12 HH11 ARG 1 HH11 ARG 1 68.294 -7.753 -9.017 13 HH12 ARG 1 HH12 ARG 1 68.486 -9.317 -9.735 14 HH21 ARG 1 HH21 ARG 1 71.306 -8.434 -11.543 15 HH22 ARG 1 HH22 ARG 1 70.186 -9.701 -11.167 16 H MET 2 HN MET 2 71.567 -1.158 -13.188 17 HA MET 2 HA MET 2 73.558 -2.443 -14.790 18 HB2 MET 2 HB2 MET 2 73.284 -0.461 -16.279 19 HB3 MET 2 HB1 MET 2 71.760 -1.251 -15.880 20 HG2 MET 2 HG2 MET 2 71.285 1.035 -15.578 21 HG3 MET 2 HG1 MET 2 71.619 0.477 -13.941 22 HE1 MET 2 HE1 MET 2 71.446 3.039 -14.076 23 HE2 MET 2 HE2 MET 2 72.869 4.077 -14.105 24 HE3 MET 2 HE3 MET 2 72.655 2.929 -12.787 25 H ALA 3 HN ALA 3 73.652 -0.020 -12.334 26 HA ALA 3 HA ALA 3 75.949 1.411 -13.079 27 HB1 ALA 3 HB1 ALA 3 74.325 1.891 -11.158 28 HB2 ALA 3 HB2 ALA 3 76.037 2.180 -10.843 29 HB3 ALA 3 HB3 ALA 3 75.258 0.721 -10.227 30 H HIS 4 HN HIS 4 75.587 -1.706 -11.455 31 HA HIS 4 HA HIS 4 78.512 -1.968 -11.178 32 HB2 HIS 4 HB2 HIS 4 76.220 -3.711 -10.229 33 HB3 HIS 4 HB1 HIS 4 77.925 -4.078 -9.971 34 HD1 HIS 4 HD1 HIS 4 75.216 -2.635 -8.227 35 HD2 HIS 4 HD2 HIS 4 79.209 -1.530 -8.700 36 HE1 HIS 4 HE1 HIS 4 75.748 -1.046 -6.328 37 H GLU 5 HN GLU 5 79.689 -3.081 -12.644 38 HA GLU 5 HA GLU 5 78.507 -4.107 -15.007 39 HB2 GLU 5 HB2 GLU 5 80.780 -4.925 -15.545 40 HB3 GLU 5 HB1 GLU 5 80.775 -3.243 -15.025 41 HG2 GLU 5 HG2 GLU 5 82.499 -3.987 -13.686 42 HG3 GLU 5 HG1 GLU 5 81.166 -4.395 -12.613 43 H GLY 6 HN GLY 6 79.753 -5.687 -12.093 44 HA2 GLY 6 HA2 GLY 6 78.877 -8.318 -13.123 45 HA3 GLY 6 HA1 GLY 6 79.968 -8.052 -11.766 46 H ALA 7 HN ALA 7 76.640 -7.210 -12.739 47 HA ALA 7 HA ALA 7 75.701 -6.917 -10.077 48 HB1 ALA 7 HB1 ALA 7 74.406 -5.826 -11.700 49 HB2 ALA 7 HB2 ALA 7 73.412 -7.215 -11.259 50 HB3 ALA 7 HB3 ALA 7 74.358 -7.242 -12.749 51 H LEU 8 HN LEU 8 74.708 -8.315 -8.713 52 HA LEU 8 HA LEU 8 75.102 -11.154 -9.200 53 HB2 LEU 8 HB2 LEU 8 74.356 -9.454 -6.837 54 HB3 LEU 8 HB1 LEU 8 73.984 -11.177 -6.794 55 HG LEU 8 HG LEU 8 76.360 -11.683 -7.297 56 HD11 LEU 8 HD11 LEU 8 76.995 -9.692 -8.520 57 HD12 LEU 8 HD12 LEU 8 78.006 -9.795 -7.079 58 HD13 LEU 8 HD13 LEU 8 76.648 -8.670 -7.125 59 HD21 LEU 8 HD21 LEU 8 75.669 -11.609 -4.961 60 HD22 LEU 8 HD22 LEU 8 75.874 -9.859 -4.920 61 HD23 LEU 8 HD23 LEU 8 77.280 -10.908 -5.100 62 H THR 9 HN THR 9 73.543 -12.646 -9.582 63 HA THR 9 HA THR 9 70.892 -11.665 -10.330 64 HB THR 9 HB THR 9 71.754 -13.191 -11.907 65 HG1 THR 9 HG1 THR 9 69.773 -13.926 -11.677 66 HG21 THR 9 HG21 THR 9 72.537 -14.909 -9.538 67 HG22 THR 9 HG22 THR 9 73.623 -14.080 -10.651 68 HG23 THR 9 HG23 THR 9 72.650 -15.435 -11.216 69 H GLY 10 HN GLY 10 69.191 -11.727 -9.012 70 HA2 GLY 10 HA2 GLY 10 67.845 -12.221 -7.210 71 HA3 GLY 10 HA1 GLY 10 68.503 -13.853 -7.308 72 H VAL 11 HN VAL 11 68.981 -14.328 -5.214 73 HA VAL 11 HA VAL 11 71.214 -12.955 -4.002 74 HB VAL 11 HB VAL 11 69.541 -11.478 -3.150 75 HG11 VAL 11 HG11 VAL 11 67.983 -13.918 -2.248 76 HG12 VAL 11 HG12 VAL 11 67.602 -12.976 -3.688 77 HG13 VAL 11 HG13 VAL 11 67.490 -12.233 -2.093 78 HG21 VAL 11 HG21 VAL 11 69.836 -11.753 -0.811 79 HG22 VAL 11 HG22 VAL 11 71.233 -12.557 -1.526 80 HG23 VAL 11 HG23 VAL 11 69.871 -13.511 -0.939 81 H THR 12 HN THR 12 72.462 -14.469 -3.176 82 HA THR 12 HA THR 12 71.236 -16.940 -2.069 83 HB THR 12 HB THR 12 73.338 -18.090 -2.873 84 HG1 THR 12 HG1 THR 12 74.001 -15.608 -3.414 85 HG21 THR 12 HG21 THR 12 71.260 -16.931 -4.713 86 HG22 THR 12 HG22 THR 12 71.519 -18.610 -4.234 87 HG23 THR 12 HG23 THR 12 72.600 -17.847 -5.400 88 H THR 13 HN THR 13 74.348 -15.223 -2.236 89 HA THR 13 HA THR 13 74.933 -15.929 0.550 90 HB THR 13 HB THR 13 77.170 -15.080 0.048 91 HG1 THR 13 HG1 THR 13 76.561 -14.671 -2.620 92 HG21 THR 13 HG21 THR 13 76.404 -17.395 -0.695 93 HG22 THR 13 HG22 THR 13 77.802 -16.747 -1.551 94 HG23 THR 13 HG23 THR 13 76.211 -16.715 -2.309 95 H ASP 14 HN ASP 14 74.895 -14.493 2.205 96 HA ASP 14 HA ASP 14 74.012 -11.733 1.612 97 HB2 ASP 14 HB2 ASP 14 72.724 -13.228 3.220 98 HB3 ASP 14 HB1 ASP 14 74.097 -13.080 4.315 99 H GLN 15 HN GLN 15 75.754 -10.463 1.284 100 HA GLN 15 HA GLN 15 78.068 -10.685 3.117 101 HB2 GLN 15 HB2 GLN 15 78.170 -10.728 0.463 102 HB3 GLN 15 HB1 GLN 15 78.077 -8.980 0.636 103 HG2 GLN 15 HG2 GLN 15 80.122 -10.687 2.093 104 HG3 GLN 15 HG1 GLN 15 80.426 -9.921 0.539 105 HE21 GLN 15 HE21 GLN 15 80.251 -7.484 0.486 106 HE22 GLN 15 HE22 GLN 15 80.581 -6.614 1.906 107 H LYS 16 HN LYS 16 75.907 -9.556 4.306 108 HA LYS 16 HA LYS 16 76.573 -6.661 4.369 109 HB2 LYS 16 HB2 LYS 16 73.869 -7.988 4.638 110 HB3 LYS 16 HB1 LYS 16 74.180 -6.296 5.027 111 HG2 LYS 16 HG2 LYS 16 74.960 -5.892 2.731 112 HG3 LYS 16 HG1 LYS 16 74.692 -7.589 2.330 113 HD2 LYS 16 HD2 LYS 16 72.283 -7.324 2.829 114 HD3 LYS 16 HD1 LYS 16 72.553 -5.623 3.212 115 HE2 LYS 16 HE2 LYS 16 73.344 -5.212 0.925 116 HE3 LYS 16 HE1 LYS 16 73.133 -6.918 0.531 117 HZ1 LYS 16 HZ1 LYS 16 71.059 -6.432 -0.017 118 HZ2 LYS 16 HZ2 LYS 16 71.211 -4.839 0.553 119 HZ3 LYS 16 HZ3 LYS 16 70.737 -6.080 1.613 120 H GLU 17 HN GLU 17 77.233 -9.269 5.997 121 HA GLU 17 HA GLU 17 76.275 -8.523 8.652 122 HB2 GLU 17 HB2 GLU 17 78.101 -10.736 7.689 123 HB3 GLU 17 HB1 GLU 17 77.667 -10.484 9.377 124 HG2 GLU 17 HG2 GLU 17 76.098 -12.078 8.677 125 HG3 GLU 17 HG1 GLU 17 75.201 -10.571 8.518 126 H LYS 18 HN LYS 18 77.523 -7.788 10.329 127 HA LYS 18 HA LYS 18 79.745 -6.108 9.718 128 HB2 LYS 18 HB2 LYS 18 77.968 -6.015 11.649 129 HB3 LYS 18 HB1 LYS 18 79.076 -7.092 12.491 130 HG2 LYS 18 HG2 LYS 18 80.877 -5.457 12.279 131 HG3 LYS 18 HG1 LYS 18 79.843 -4.403 11.316 132 HD2 LYS 18 HD2 LYS 18 79.787 -3.540 13.565 133 HD3 LYS 18 HD1 LYS 18 78.240 -4.335 13.282 134 HE2 LYS 18 HE2 LYS 18 78.807 -6.192 14.620 135 HE3 LYS 18 HE1 LYS 18 80.534 -5.852 14.529 136 HZ1 LYS 18 HZ1 LYS 18 80.153 -4.977 16.548 137 HZ2 LYS 18 HZ2 LYS 18 78.504 -4.699 16.257 138 HZ3 LYS 18 HZ3 LYS 18 79.668 -3.617 15.658 139 H GLN 19 HN GLN 19 81.886 -6.708 9.531 140 HA GLN 19 HA GLN 19 82.720 -9.285 10.760 141 HB2 GLN 19 HB2 GLN 19 83.918 -7.991 8.309 142 HB3 GLN 19 HB1 GLN 19 84.230 -9.608 8.931 143 HG2 GLN 19 HG2 GLN 19 81.805 -10.144 8.551 144 HG3 GLN 19 HG1 GLN 19 81.637 -8.573 7.767 145 HE21 GLN 19 HE21 GLN 19 81.532 -8.987 5.553 146 HE22 GLN 19 HE22 GLN 19 82.600 -10.002 4.709 147 H LYS 20 HN LYS 20 85.172 -9.355 11.028 148 HA LYS 20 HA LYS 20 85.942 -7.101 12.665 149 HB2 LYS 20 HB2 LYS 20 88.057 -8.647 12.925 150 HB3 LYS 20 HB1 LYS 20 86.531 -9.115 13.675 151 HG2 LYS 20 HG2 LYS 20 86.051 -10.710 12.004 152 HG3 LYS 20 HG1 LYS 20 87.193 -9.999 10.865 153 HD2 LYS 20 HD2 LYS 20 87.969 -12.160 11.929 154 HD3 LYS 20 HD1 LYS 20 89.078 -10.803 12.124 155 HE2 LYS 20 HE2 LYS 20 88.343 -10.438 14.396 156 HE3 LYS 20 HE1 LYS 20 87.017 -11.586 14.208 157 HZ1 LYS 20 HZ1 LYS 20 89.846 -12.068 14.643 158 HZ2 LYS 20 HZ2 LYS 20 89.078 -13.110 13.543 159 HZ3 LYS 20 HZ3 LYS 20 88.501 -12.976 15.134 160 HA PRO 21 HA PRO 21 88.311 -5.055 9.449 161 HB2 PRO 21 HB2 PRO 21 90.340 -4.059 11.272 162 HB3 PRO 21 HB1 PRO 21 89.002 -3.172 10.532 163 HG2 PRO 21 HG2 PRO 21 89.265 -4.045 13.252 164 HG3 PRO 21 HG1 PRO 21 87.949 -3.118 12.520 165 HD2 PRO 21 HD2 PRO 21 87.873 -5.856 13.385 166 HD3 PRO 21 HD1 PRO 21 86.589 -4.938 12.573 167 H ASP 22 HN ASP 22 90.312 -5.237 8.306 168 HA ASP 22 HA ASP 22 92.573 -6.621 9.263 169 HB2 ASP 22 HB2 ASP 22 90.912 -8.542 9.078 170 HB3 ASP 22 HB1 ASP 22 90.967 -8.302 7.336 171 H ILE 23 HN ILE 23 93.796 -5.146 8.289 172 HA ILE 23 HA ILE 23 93.405 -4.297 5.564 173 HB ILE 23 HB ILE 23 94.201 -2.789 7.363 174 HG12 ILE 23 HG12 ILE 23 95.993 -3.199 4.945 175 HG13 ILE 23 HG11 ILE 23 94.649 -2.083 5.105 176 HG21 ILE 23 HG21 ILE 23 96.322 -3.011 8.358 177 HG22 ILE 23 HG22 ILE 23 96.878 -4.147 7.132 178 HG23 ILE 23 HG23 ILE 23 95.702 -4.661 8.337 179 HD11 ILE 23 HD11 ILE 23 96.289 -0.577 5.575 180 HD12 ILE 23 HD12 ILE 23 97.448 -1.829 6.022 181 HD13 ILE 23 HD13 ILE 23 96.240 -1.280 7.190 182 H VAL 24 HN VAL 24 94.650 -4.623 3.794 183 HA VAL 24 HA VAL 24 96.630 -6.830 3.871 184 HB VAL 24 HB VAL 24 94.659 -5.974 1.736 185 HG11 VAL 24 HG11 VAL 24 95.712 -7.879 0.411 186 HG12 VAL 24 HG12 VAL 24 97.062 -7.804 1.543 187 HG13 VAL 24 HG13 VAL 24 96.683 -6.411 0.531 188 HG21 VAL 24 HG21 VAL 24 93.940 -7.534 3.589 189 HG22 VAL 24 HG22 VAL 24 95.155 -8.676 3.012 190 HG23 VAL 24 HG23 VAL 24 93.809 -8.218 1.970 191 H LEU 25 HN LEU 25 98.651 -6.409 3.075 192 HA LEU 25 HA LEU 25 99.164 -4.149 1.335 193 HB2 LEU 25 HB2 LEU 25 101.035 -3.323 2.891 194 HB3 LEU 25 HB1 LEU 25 99.394 -2.881 3.313 195 HG LEU 25 HG LEU 25 100.783 -3.640 5.255 196 HD11 LEU 25 HD11 LEU 25 98.647 -5.713 5.067 197 HD12 LEU 25 HD12 LEU 25 98.155 -4.030 4.889 198 HD13 LEU 25 HD13 LEU 25 99.003 -4.548 6.333 199 HD21 LEU 25 HD21 LEU 25 100.544 -6.431 4.123 200 HD22 LEU 25 HD22 LEU 25 101.482 -5.894 5.510 201 HD23 LEU 25 HD23 LEU 25 101.984 -5.439 3.887 202 H TYR 26 HN TYR 26 102.004 -4.128 1.695 203 HA TYR 26 HA TYR 26 102.677 -6.815 0.626 204 HB2 TYR 26 HB2 TYR 26 103.727 -4.054 0.223 205 HB3 TYR 26 HB1 TYR 26 104.903 -5.362 0.120 206 HD1 TYR 26 HD1 TYR 26 105.312 -6.013 -2.092 207 HD2 TYR 26 HD2 TYR 26 101.320 -4.908 -0.948 208 HE1 TYR 26 HE1 TYR 26 104.514 -6.536 -4.378 209 HE2 TYR 26 HE2 TYR 26 100.522 -5.430 -3.238 210 HH TYR 26 HH TYR 26 101.111 -6.016 -5.300 211 HA PRO 27 HA PRO 27 104.580 -7.006 4.815 212 HB2 PRO 27 HB2 PRO 27 104.880 -9.879 4.558 213 HB3 PRO 27 HB1 PRO 27 103.770 -8.985 5.609 214 HG2 PRO 27 HG2 PRO 27 103.064 -10.513 3.371 215 HG3 PRO 27 HG1 PRO 27 102.028 -9.360 4.222 216 HD2 PRO 27 HD2 PRO 27 103.411 -9.056 1.616 217 HD3 PRO 27 HD1 PRO 27 101.998 -8.207 2.257 218 H GLU 28 HN GLU 28 105.680 -8.231 1.781 219 HA GLU 28 HA GLU 28 108.413 -8.669 2.719 220 HB2 GLU 28 HB2 GLU 28 108.818 -9.445 0.405 221 HB3 GLU 28 HB1 GLU 28 107.513 -10.319 1.203 222 HG2 GLU 28 HG2 GLU 28 105.963 -8.525 0.083 223 HG3 GLU 28 HG1 GLU 28 107.344 -8.240 -0.972 224 HA PRO 29 HA PRO 29 109.347 -4.406 1.506 225 HB2 PRO 29 HB2 PRO 29 112.201 -4.950 1.457 226 HB3 PRO 29 HB1 PRO 29 111.283 -4.019 2.648 227 HG2 PRO 29 HG2 PRO 29 112.437 -6.589 2.987 228 HG3 PRO 29 HG1 PRO 29 111.414 -5.705 4.126 229 HD2 PRO 29 HD2 PRO 29 110.728 -8.048 2.540 230 HD3 PRO 29 HD1 PRO 29 109.767 -7.231 3.790 231 H VAL 30 HN VAL 30 109.952 -3.346 -0.437 232 HA VAL 30 HA VAL 30 110.965 -5.078 -2.624 233 HB VAL 30 HB VAL 30 108.604 -3.210 -2.745 234 HG11 VAL 30 HG11 VAL 30 110.270 -4.485 -4.904 235 HG12 VAL 30 HG12 VAL 30 109.648 -2.836 -4.809 236 HG13 VAL 30 HG13 VAL 30 108.556 -4.171 -5.174 237 HG21 VAL 30 HG21 VAL 30 107.479 -5.344 -3.524 238 HG22 VAL 30 HG22 VAL 30 108.018 -5.380 -1.847 239 HG23 VAL 30 HG23 VAL 30 108.956 -6.199 -3.093 240 H ARG 31 HN ARG 31 112.429 -4.194 -3.908 241 HA ARG 31 HA ARG 31 112.972 -1.288 -3.725 242 HB2 ARG 31 HB2 ARG 31 114.969 -3.561 -3.943 243 HB3 ARG 31 HB1 ARG 31 115.366 -1.844 -3.971 244 HG2 ARG 31 HG2 ARG 31 114.379 -1.607 -1.694 245 HG3 ARG 31 HG1 ARG 31 114.079 -3.345 -1.672 246 HD2 ARG 31 HD2 ARG 31 116.495 -3.764 -1.985 247 HD3 ARG 31 HD1 ARG 31 116.792 -2.031 -1.978 248 HE ARG 31 HE ARG 31 115.435 -2.722 0.398 249 HH11 ARG 31 HH11 ARG 31 118.387 -1.723 -0.708 250 HH12 ARG 31 HH12 ARG 31 119.347 -2.497 0.509 251 HH21 ARG 31 HH21 ARG 31 116.717 -4.367 1.775 252 HH22 ARG 31 HH22 ARG 31 118.402 -3.991 1.914 253 H VAL 32 HN VAL 32 113.189 -0.267 -5.683 254 HA VAL 32 HA VAL 32 113.363 -1.962 -8.113 255 HB VAL 32 HB VAL 32 111.052 -1.234 -7.911 256 HG11 VAL 32 HG11 VAL 32 111.584 0.754 -6.428 257 HG12 VAL 32 HG12 VAL 32 110.392 1.053 -7.683 258 HG13 VAL 32 HG13 VAL 32 112.042 1.630 -7.898 259 HG21 VAL 32 HG21 VAL 32 110.822 -0.186 -10.038 260 HG22 VAL 32 HG22 VAL 32 112.289 -1.163 -10.125 261 HG23 VAL 32 HG23 VAL 32 112.404 0.586 -9.900 262 H LEU 33 HN LEU 33 114.222 -0.791 -10.008 263 HA LEU 33 HA LEU 33 116.306 1.128 -9.173 264 HB2 LEU 33 HB2 LEU 33 116.090 -0.476 -11.729 265 HB3 LEU 33 HB1 LEU 33 117.487 0.440 -11.163 266 HG LEU 33 HG LEU 33 116.266 -1.945 -9.749 267 HD11 LEU 33 HD11 LEU 33 118.500 -2.980 -10.380 268 HD12 LEU 33 HD12 LEU 33 118.732 -1.611 -11.466 269 HD13 LEU 33 HD13 LEU 33 117.383 -2.716 -11.717 270 HD21 LEU 33 HD21 LEU 33 118.587 -1.704 -8.524 271 HD22 LEU 33 HD22 LEU 33 117.242 -0.682 -8.034 272 HD23 LEU 33 HD23 LEU 33 118.502 -0.032 -9.082 273 H GLU 34 HN GLU 34 116.335 3.159 -9.931 274 HA GLU 34 HA GLU 34 114.178 4.441 -11.013 275 HB2 GLU 34 HB2 GLU 34 116.417 5.399 -10.155 276 HB3 GLU 34 HB1 GLU 34 116.971 5.240 -11.818 277 HG2 GLU 34 HG2 GLU 34 114.522 6.795 -10.917 278 HG3 GLU 34 HG1 GLU 34 116.052 7.499 -11.430 279 H GLY 35 HN GLY 35 113.227 4.594 -12.948 280 HA2 GLY 35 HA2 GLY 35 113.204 4.663 -15.334 281 HA3 GLY 35 HA1 GLY 35 114.674 3.691 -15.364 282 H GLU 36 HN GLU 36 112.866 2.336 -13.016 283 HA GLU 36 HA GLU 36 111.533 0.417 -14.862 284 HB2 GLU 36 HB2 GLU 36 112.653 -0.060 -12.094 285 HB3 GLU 36 HB1 GLU 36 111.787 -1.253 -13.048 286 HG2 GLU 36 HG2 GLU 36 113.557 -1.038 -14.803 287 HG3 GLU 36 HG1 GLU 36 114.428 0.053 -13.722 288 H THR 37 HN THR 37 109.359 0.416 -14.722 289 HA THR 37 HA THR 37 108.027 1.981 -12.695 290 HB THR 37 HB THR 37 107.059 2.011 -14.876 291 HG1 THR 37 HG1 THR 37 105.078 1.692 -14.202 292 HG21 THR 37 HG21 THR 37 106.177 -0.206 -15.829 293 HG22 THR 37 HG22 THR 37 107.235 -0.994 -14.658 294 HG23 THR 37 HG23 THR 37 107.919 0.057 -15.900 295 H ALA 38 HN ALA 38 106.594 1.215 -11.100 296 HA ALA 38 HA ALA 38 106.743 -1.683 -10.491 297 HB1 ALA 38 HB1 ALA 38 108.269 -0.060 -9.102 298 HB2 ALA 38 HB2 ALA 38 107.346 -1.312 -8.271 299 HB3 ALA 38 HB3 ALA 38 106.767 0.352 -8.281 300 H ARG 39 HN ARG 39 105.079 -2.344 -8.880 301 HA ARG 39 HA ARG 39 102.638 -0.686 -8.924 302 HB2 ARG 39 HB2 ARG 39 102.763 -3.532 -9.938 303 HB3 ARG 39 HB1 ARG 39 101.268 -2.671 -9.569 304 HG2 ARG 39 HG2 ARG 39 101.913 -0.907 -11.205 305 HG3 ARG 39 HG1 ARG 39 103.351 -1.842 -11.611 306 HD2 ARG 39 HD2 ARG 39 100.513 -2.871 -11.871 307 HD3 ARG 39 HD1 ARG 39 101.461 -2.217 -13.204 308 HE ARG 39 HE ARG 39 101.778 -4.819 -11.976 309 HH11 ARG 39 HH11 ARG 39 103.437 -2.215 -13.511 310 HH12 ARG 39 HH12 ARG 39 104.559 -3.234 -14.349 311 HH21 ARG 39 HH21 ARG 39 103.160 -6.181 -13.184 312 HH22 ARG 39 HH22 ARG 39 104.405 -5.478 -14.161 313 H PHE 40 HN PHE 40 101.792 -0.574 -7.013 314 HA PHE 40 HA PHE 40 102.024 -2.836 -5.109 315 HB2 PHE 40 HB2 PHE 40 102.960 -0.066 -4.862 316 HB3 PHE 40 HB1 PHE 40 101.874 -0.501 -3.545 317 HD1 PHE 40 HD1 PHE 40 104.521 -2.336 -5.485 318 HD2 PHE 40 HD2 PHE 40 103.079 -1.076 -1.645 319 HE1 PHE 40 HE1 PHE 40 106.371 -3.551 -4.395 320 HE2 PHE 40 HE2 PHE 40 104.935 -2.284 -0.550 321 HZ PHE 40 HZ PHE 40 106.564 -3.545 -1.910 322 H ARG 41 HN ARG 41 100.225 -3.153 -3.777 323 HA ARG 41 HA ARG 41 97.823 -1.530 -4.414 324 HB2 ARG 41 HB2 ARG 41 98.044 -4.523 -4.037 325 HB3 ARG 41 HB1 ARG 41 96.526 -3.639 -4.172 326 HG2 ARG 41 HG2 ARG 41 97.215 -2.818 -6.407 327 HG3 ARG 41 HG1 ARG 41 98.711 -3.746 -6.272 328 HD2 ARG 41 HD2 ARG 41 97.377 -5.825 -6.035 329 HD3 ARG 41 HD1 ARG 41 95.903 -4.884 -6.231 330 HE ARG 41 HE ARG 41 96.526 -4.461 -8.521 331 HH11 ARG 41 HH11 ARG 41 97.195 -7.493 -7.531 332 HH12 ARG 41 HH12 ARG 41 98.483 -7.825 -8.638 333 HH21 ARG 41 HH21 ARG 41 98.812 -4.529 -9.661 334 HH22 ARG 41 HH22 ARG 41 99.400 -6.148 -9.842 335 H CYS 42 HN CYS 42 96.451 -1.067 -2.743 336 HA CYS 42 HA CYS 42 96.990 -2.213 -0.088 337 HB2 CYS 42 HB2 CYS 42 98.308 -0.065 -0.316 338 HB3 CYS 42 HB1 CYS 42 96.771 0.776 -0.502 339 HG CYS 42 HG CYS 42 96.263 0.439 1.923 340 H ARG 43 HN ARG 43 95.082 -3.030 0.478 341 HA ARG 43 HA ARG 43 92.629 -1.431 -0.020 342 HB2 ARG 43 HB2 ARG 43 92.872 -3.368 -1.602 343 HB3 ARG 43 HB1 ARG 43 92.889 -4.448 -0.211 344 HG2 ARG 43 HG2 ARG 43 90.647 -3.832 0.398 345 HG3 ARG 43 HG1 ARG 43 90.628 -2.512 -0.773 346 HD2 ARG 43 HD2 ARG 43 90.904 -4.227 -2.590 347 HD3 ARG 43 HD1 ARG 43 90.737 -5.484 -1.365 348 HE ARG 43 HE ARG 43 88.564 -3.625 -1.255 349 HH11 ARG 43 HH11 ARG 43 86.842 -5.339 -1.038 350 HH12 ARG 43 HH12 ARG 43 86.607 -6.317 -2.448 351 HH21 ARG 43 HH21 ARG 43 89.564 -5.319 -3.956 352 HH22 ARG 43 HH22 ARG 43 88.150 -6.309 -4.096 353 H VAL 44 HN VAL 44 90.746 -2.390 1.536 354 HA VAL 44 HA VAL 44 91.937 -3.194 4.108 355 HB VAL 44 HB VAL 44 89.804 -1.091 3.567 356 HG11 VAL 44 HG11 VAL 44 89.002 -2.234 5.469 357 HG12 VAL 44 HG12 VAL 44 89.937 -0.906 6.152 358 HG13 VAL 44 HG13 VAL 44 90.629 -2.524 6.092 359 HG21 VAL 44 HG21 VAL 44 92.606 -1.019 4.695 360 HG22 VAL 44 HG22 VAL 44 91.446 0.267 5.022 361 HG23 VAL 44 HG23 VAL 44 91.940 -0.075 3.365 362 H THR 45 HN THR 45 89.965 -4.114 5.497 363 HA THR 45 HA THR 45 87.871 -5.250 3.775 364 HB THR 45 HB THR 45 88.218 -7.501 4.519 365 HG1 THR 45 HG1 THR 45 90.452 -7.477 5.821 366 HG21 THR 45 HG21 THR 45 89.746 -6.532 2.686 367 HG22 THR 45 HG22 THR 45 90.252 -8.044 3.438 368 HG23 THR 45 HG23 THR 45 91.007 -6.525 3.917 369 H GLY 46 HN GLY 46 86.033 -5.974 4.937 370 HA2 GLY 46 HA2 GLY 46 85.205 -6.386 7.305 371 HA3 GLY 46 HA1 GLY 46 85.829 -4.780 7.646 372 H TYR 47 HN TYR 47 84.689 -3.028 7.085 373 HA TYR 47 HA TYR 47 82.003 -3.440 5.895 374 HB2 TYR 47 HB2 TYR 47 81.881 -1.025 7.305 375 HB3 TYR 47 HB1 TYR 47 81.282 -2.578 7.883 376 HD1 TYR 47 HD1 TYR 47 84.578 -0.802 7.529 377 HD2 TYR 47 HD2 TYR 47 82.031 -3.243 9.990 378 HE1 TYR 47 HE1 TYR 47 86.285 -0.779 9.334 379 HE2 TYR 47 HE2 TYR 47 83.736 -3.216 11.786 380 HH TYR 47 HH TYR 47 85.928 -1.198 12.206 381 HA PRO 48 HA PRO 48 82.615 -0.701 2.539 382 HB2 PRO 48 HB2 PRO 48 80.738 1.370 3.335 383 HB3 PRO 48 HB1 PRO 48 80.526 0.109 2.113 384 HG2 PRO 48 HG2 PRO 48 79.528 0.209 4.866 385 HG3 PRO 48 HG1 PRO 48 79.005 -0.812 3.519 386 HD2 PRO 48 HD2 PRO 48 80.386 -1.768 5.689 387 HD3 PRO 48 HD1 PRO 48 80.449 -2.526 4.087 388 H GLN 49 HN GLN 49 83.357 1.400 1.912 389 HA GLN 49 HA GLN 49 85.492 2.550 2.462 390 HB2 GLN 49 HB2 GLN 49 84.398 4.921 2.626 391 HB3 GLN 49 HB1 GLN 49 84.152 3.943 1.180 392 HG2 GLN 49 HG2 GLN 49 82.225 3.776 3.497 393 HG3 GLN 49 HG1 GLN 49 82.073 5.041 2.282 394 HE21 GLN 49 HE21 GLN 49 79.913 3.631 2.058 395 HE22 GLN 49 HE22 GLN 49 79.984 2.403 0.888 396 HA PRO 50 HA PRO 50 85.349 2.968 7.055 397 HB2 PRO 50 HB2 PRO 50 87.987 1.750 7.179 398 HB3 PRO 50 HB1 PRO 50 86.452 1.085 7.763 399 HG2 PRO 50 HG2 PRO 50 87.895 0.086 5.623 400 HG3 PRO 50 HG1 PRO 50 86.173 -0.205 5.912 401 HD2 PRO 50 HD2 PRO 50 87.469 1.716 4.005 402 HD3 PRO 50 HD1 PRO 50 85.964 0.780 3.829 403 H LYS 51 HN LYS 51 87.944 3.448 8.215 404 HA LYS 51 HA LYS 51 88.637 6.035 6.930 405 HB2 LYS 51 HB2 LYS 51 88.951 5.055 9.777 406 HB3 LYS 51 HB1 LYS 51 89.575 6.596 9.180 407 HG2 LYS 51 HG2 LYS 51 87.327 7.317 8.574 408 HG3 LYS 51 HG1 LYS 51 86.671 5.746 9.024 409 HD2 LYS 51 HD2 LYS 51 86.229 7.141 10.893 410 HD3 LYS 51 HD1 LYS 51 87.623 6.173 11.361 411 HE2 LYS 51 HE2 LYS 51 89.127 7.976 11.043 412 HE3 LYS 51 HE1 LYS 51 87.953 8.905 10.110 413 HZ1 LYS 51 HZ1 LYS 51 86.569 8.764 12.264 414 HZ2 LYS 51 HZ2 LYS 51 87.842 9.886 12.169 415 HZ3 LYS 51 HZ3 LYS 51 88.053 8.425 13.012 416 H VAL 52 HN VAL 52 90.668 6.287 6.095 417 HA VAL 52 HA VAL 52 92.805 4.481 6.986 418 HB VAL 52 HB VAL 52 92.204 4.777 4.045 419 HG11 VAL 52 HG11 VAL 52 94.464 4.103 4.487 420 HG12 VAL 52 HG12 VAL 52 93.586 2.647 4.027 421 HG13 VAL 52 HG13 VAL 52 93.949 2.950 5.719 422 HG21 VAL 52 HG21 VAL 52 90.272 3.665 5.025 423 HG22 VAL 52 HG22 VAL 52 91.319 2.596 5.962 424 HG23 VAL 52 HG23 VAL 52 91.264 2.460 4.205 425 H ASN 53 HN ASN 53 94.877 5.080 6.431 426 HA ASN 53 HA ASN 53 95.430 7.583 5.058 427 HB2 ASN 53 HB2 ASN 53 95.987 7.187 8.013 428 HB3 ASN 53 HB1 ASN 53 96.783 8.415 7.035 429 HD21 ASN 53 HD21 ASN 53 94.683 8.551 9.328 430 HD22 ASN 53 HD22 ASN 53 93.485 9.578 8.701 431 H TRP 54 HN TRP 54 97.536 7.511 4.149 432 HA TRP 54 HA TRP 54 99.347 5.382 5.133 433 HB2 TRP 54 HB2 TRP 54 99.753 4.948 2.532 434 HB3 TRP 54 HB1 TRP 54 98.488 4.094 3.412 435 HD1 TRP 54 HD1 TRP 54 96.105 4.343 2.556 436 HE1 TRP 54 HE1 TRP 54 94.929 5.843 0.817 437 HE3 TRP 54 HE3 TRP 54 99.919 7.551 1.430 438 HZ2 TRP 54 HZ2 TRP 54 95.517 8.105 -0.790 439 HZ3 TRP 54 HZ3 TRP 54 99.577 9.372 -0.214 440 HH2 TRP 54 HH2 TRP 54 97.378 9.650 -1.331 441 H TYR 55 HN TYR 55 101.572 5.627 4.367 442 HA TYR 55 HA TYR 55 102.187 8.368 3.448 443 HB2 TYR 55 HB2 TYR 55 104.040 7.123 5.434 444 HB3 TYR 55 HB1 TYR 55 103.653 8.818 5.173 445 HD1 TYR 55 HD1 TYR 55 100.814 9.054 5.494 446 HD2 TYR 55 HD2 TYR 55 103.507 6.496 7.598 447 HE1 TYR 55 HE1 TYR 55 99.249 9.005 7.407 448 HE2 TYR 55 HE2 TYR 55 101.950 6.426 9.518 449 HH TYR 55 HH TYR 55 99.348 6.772 9.786 450 H LEU 56 HN LEU 56 103.470 8.363 1.711 451 HA LEU 56 HA LEU 56 104.920 5.933 0.943 452 HB2 LEU 56 HB2 LEU 56 104.371 8.584 -0.397 453 HB3 LEU 56 HB1 LEU 56 105.492 7.406 -1.078 454 HG LEU 56 HG LEU 56 103.692 5.707 -1.074 455 HD11 LEU 56 HD11 LEU 56 102.229 6.329 0.666 456 HD12 LEU 56 HD12 LEU 56 101.316 6.741 -0.780 457 HD13 LEU 56 HD13 LEU 56 102.142 8.005 0.127 458 HD21 LEU 56 HD21 LEU 56 104.090 7.106 -3.068 459 HD22 LEU 56 HD22 LEU 56 102.963 8.313 -2.448 460 HD23 LEU 56 HD23 LEU 56 102.384 6.715 -2.899 461 H ASN 57 HN ASN 57 107.232 5.747 1.046 462 HA ASN 57 HA ASN 57 109.270 6.237 1.890 463 HB2 ASN 57 HB2 ASN 57 108.547 8.800 0.474 464 HB3 ASN 57 HB1 ASN 57 110.166 8.428 1.064 465 HD21 ASN 57 HD21 ASN 57 109.810 8.808 -1.690 466 HD22 ASN 57 HD22 ASN 57 109.969 7.321 -2.494 467 H GLY 58 HN GLY 58 106.671 7.386 3.372 468 HA2 GLY 58 HA2 GLY 58 106.672 7.969 5.688 469 HA3 GLY 58 HA1 GLY 58 108.222 8.775 5.464 470 H GLN 59 HN GLN 59 105.785 9.281 3.050 471 HA GLN 59 HA GLN 59 105.175 11.985 4.126 472 HB2 GLN 59 HB2 GLN 59 106.698 11.986 2.115 473 HB3 GLN 59 HB1 GLN 59 105.392 11.232 1.201 474 HG2 GLN 59 HG2 GLN 59 105.256 13.608 0.813 475 HG3 GLN 59 HG1 GLN 59 103.919 13.179 1.875 476 HE21 GLN 59 HE21 GLN 59 103.714 15.064 3.153 477 HE22 GLN 59 HE22 GLN 59 104.981 15.719 4.074 478 H LEU 60 HN LEU 60 103.071 12.326 4.490 479 HA LEU 60 HA LEU 60 101.093 10.384 3.670 480 HB2 LEU 60 HB2 LEU 60 99.575 11.690 5.099 481 HB3 LEU 60 HB1 LEU 60 101.048 11.254 5.951 482 HG LEU 60 HG LEU 60 101.111 13.890 4.536 483 HD11 LEU 60 HD11 LEU 60 99.406 13.371 6.985 484 HD12 LEU 60 HD12 LEU 60 98.887 14.066 5.451 485 HD13 LEU 60 HD13 LEU 60 99.962 14.975 6.512 486 HD21 LEU 60 HD21 LEU 60 102.618 14.461 6.215 487 HD22 LEU 60 HD22 LEU 60 102.863 12.718 6.172 488 HD23 LEU 60 HD23 LEU 60 101.845 13.431 7.418 489 H ILE 61 HN ILE 61 99.155 10.804 2.593 490 HA ILE 61 HA ILE 61 97.904 11.546 0.888 491 HB ILE 61 HB ILE 61 97.174 13.273 2.302 492 HG12 ILE 61 HG12 ILE 61 96.638 15.054 0.708 493 HG13 ILE 61 HG11 ILE 61 97.920 14.510 -0.367 494 HG21 ILE 61 HG21 ILE 61 99.194 14.221 3.148 495 HG22 ILE 61 HG22 ILE 61 98.284 15.500 2.359 496 HG23 ILE 61 HG23 ILE 61 99.667 14.786 1.541 497 HD11 ILE 61 HD11 ILE 61 95.506 13.723 -0.877 498 HD12 ILE 61 HD12 ILE 61 95.710 12.637 0.499 499 HD13 ILE 61 HD13 ILE 61 96.778 12.503 -0.899 500 H ARG 62 HN ARG 62 98.225 11.193 -1.041 501 HA ARG 62 HA ARG 62 100.536 12.358 -2.506 502 HB2 ARG 62 HB2 ARG 62 100.433 9.792 -2.359 503 HB3 ARG 62 HB1 ARG 62 98.978 9.898 -3.351 504 HG2 ARG 62 HG2 ARG 62 100.479 11.367 -4.935 505 HG3 ARG 62 HG1 ARG 62 101.815 10.624 -4.071 506 HD2 ARG 62 HD2 ARG 62 99.606 9.064 -5.433 507 HD3 ARG 62 HD1 ARG 62 101.158 9.422 -6.178 508 HE ARG 62 HE ARG 62 101.596 8.186 -3.671 509 HH11 ARG 62 HH11 ARG 62 103.242 6.675 -4.895 510 HH12 ARG 62 HH12 ARG 62 102.449 5.388 -5.739 511 HH21 ARG 62 HH21 ARG 62 99.326 6.896 -5.633 512 HH22 ARG 62 HH22 ARG 62 100.230 5.516 -6.160 513 H LYS 63 HN LYS 63 100.024 13.175 -4.632 514 HA LYS 63 HA LYS 63 97.600 14.573 -4.774 515 HB2 LYS 63 HB2 LYS 63 99.646 13.917 -6.895 516 HB3 LYS 63 HB1 LYS 63 98.292 15.016 -7.160 517 HG2 LYS 63 HG2 LYS 63 100.073 15.438 -4.762 518 HG3 LYS 63 HG1 LYS 63 100.634 15.964 -6.345 519 HD2 LYS 63 HD2 LYS 63 98.886 17.521 -6.598 520 HD3 LYS 63 HD1 LYS 63 97.885 16.750 -5.373 521 HE2 LYS 63 HE2 LYS 63 98.898 18.865 -4.552 522 HE3 LYS 63 HE1 LYS 63 99.428 17.468 -3.611 523 HZ1 LYS 63 HZ1 LYS 63 101.473 17.411 -4.809 524 HZ2 LYS 63 HZ2 LYS 63 101.246 19.003 -4.264 525 HZ3 LYS 63 HZ3 LYS 63 100.954 18.608 -5.891 526 H SER 64 HN SER 64 95.829 14.393 -6.089 527 HA SER 64 HA SER 64 94.760 11.767 -6.377 528 HB2 SER 64 HB2 SER 64 93.579 14.360 -7.365 529 HB3 SER 64 HB1 SER 64 92.722 12.864 -7.004 530 HG SER 64 HG SER 64 92.883 13.266 -4.918 531 H LYS 65 HN LYS 65 93.193 12.847 -8.750 532 HA LYS 65 HA LYS 65 93.379 11.439 -10.798 533 HB2 LYS 65 HB2 LYS 65 93.865 14.401 -11.033 534 HB3 LYS 65 HB1 LYS 65 93.465 13.367 -12.406 535 HG2 LYS 65 HG2 LYS 65 91.391 12.661 -11.296 536 HG3 LYS 65 HG1 LYS 65 91.793 13.652 -9.894 537 HD2 LYS 65 HD2 LYS 65 91.749 15.675 -11.310 538 HD3 LYS 65 HD1 LYS 65 91.337 14.684 -12.708 539 HE2 LYS 65 HE2 LYS 65 89.247 14.003 -11.690 540 HE3 LYS 65 HE1 LYS 65 89.673 14.809 -10.181 541 HZ1 LYS 65 HZ1 LYS 65 89.932 16.820 -11.882 542 HZ2 LYS 65 HZ2 LYS 65 88.474 16.461 -11.086 543 HZ3 LYS 65 HZ3 LYS 65 88.724 15.939 -12.684 544 H ARG 66 HN ARG 66 96.328 13.406 -10.183 545 HA ARG 66 HA ARG 66 97.665 12.585 -12.537 546 HB2 ARG 66 HB2 ARG 66 98.722 13.448 -9.836 547 HB3 ARG 66 HB1 ARG 66 99.767 13.104 -11.214 548 HG2 ARG 66 HG2 ARG 66 98.673 14.835 -12.537 549 HG3 ARG 66 HG1 ARG 66 97.509 15.129 -11.243 550 HD2 ARG 66 HD2 ARG 66 99.274 16.821 -11.169 551 HD3 ARG 66 HD1 ARG 66 99.368 15.789 -9.744 552 HE ARG 66 HE ARG 66 101.386 14.901 -10.556 553 HH11 ARG 66 HH11 ARG 66 100.935 14.367 -13.377 554 HH12 ARG 66 HH12 ARG 66 101.844 15.595 -14.194 555 HH21 ARG 66 HH21 ARG 66 102.112 17.628 -11.395 556 HH22 ARG 66 HH22 ARG 66 102.510 17.443 -13.071 557 H PHE 67 HN PHE 67 97.341 11.131 -9.354 558 HA PHE 67 HA PHE 67 98.638 8.649 -10.342 559 HB2 PHE 67 HB2 PHE 67 98.540 9.800 -7.538 560 HB3 PHE 67 HB1 PHE 67 99.146 8.192 -7.939 561 HD1 PHE 67 HD1 PHE 67 99.778 11.803 -8.142 562 HD2 PHE 67 HD2 PHE 67 101.210 7.908 -9.240 563 HE1 PHE 67 HE1 PHE 67 101.983 12.776 -8.723 564 HE2 PHE 67 HE2 PHE 67 103.415 8.879 -9.819 565 HZ PHE 67 HZ PHE 67 103.804 11.314 -9.560 566 H ARG 68 HN ARG 68 97.482 6.697 -9.959 567 HA ARG 68 HA ARG 68 94.663 6.996 -9.660 568 HB2 ARG 68 HB2 ARG 68 95.773 5.211 -11.033 569 HB3 ARG 68 HB1 ARG 68 96.280 4.437 -9.530 570 HG2 ARG 68 HG2 ARG 68 93.903 4.296 -8.825 571 HG3 ARG 68 HG1 ARG 68 93.422 5.010 -10.361 572 HD2 ARG 68 HD2 ARG 68 94.601 3.091 -11.517 573 HD3 ARG 68 HD1 ARG 68 94.806 2.349 -9.930 574 HE ARG 68 HE ARG 68 92.089 3.018 -10.272 575 HH11 ARG 68 HH11 ARG 68 90.983 0.955 -9.953 576 HH12 ARG 68 HH12 ARG 68 91.383 -0.324 -11.050 577 HH21 ARG 68 HH21 ARG 68 94.127 1.317 -12.389 578 HH22 ARG 68 HH22 ARG 68 93.158 -0.118 -12.429 579 H VAL 69 HN VAL 69 93.738 7.466 -7.793 580 HA VAL 69 HA VAL 69 94.246 5.801 -5.455 581 HB VAL 69 HB VAL 69 95.885 7.681 -5.286 582 HG11 VAL 69 HG11 VAL 69 94.275 9.310 -6.458 583 HG12 VAL 69 HG12 VAL 69 95.190 9.923 -5.080 584 HG13 VAL 69 HG13 VAL 69 93.495 9.480 -4.883 585 HG21 VAL 69 HG21 VAL 69 95.094 8.475 -3.006 586 HG22 VAL 69 HG22 VAL 69 95.183 6.724 -3.207 587 HG23 VAL 69 HG23 VAL 69 93.623 7.545 -3.275 588 H ARG 70 HN ARG 70 92.412 5.493 -4.312 589 HA ARG 70 HA ARG 70 90.147 7.360 -4.700 590 HB2 ARG 70 HB2 ARG 70 89.948 5.259 -6.143 591 HB3 ARG 70 HB1 ARG 70 89.778 4.367 -4.630 592 HG2 ARG 70 HG2 ARG 70 87.860 5.768 -3.995 593 HG3 ARG 70 HG1 ARG 70 88.034 6.697 -5.484 594 HD2 ARG 70 HD2 ARG 70 86.290 5.065 -5.828 595 HD3 ARG 70 HD1 ARG 70 87.691 4.571 -6.773 596 HE ARG 70 HE ARG 70 87.790 3.348 -4.217 597 HH11 ARG 70 HH11 ARG 70 87.387 2.685 -7.440 598 HH12 ARG 70 HH12 ARG 70 86.382 1.288 -7.241 599 HH21 ARG 70 HH21 ARG 70 85.893 1.797 -3.844 600 HH22 ARG 70 HH22 ARG 70 85.530 0.789 -5.205 601 H TYR 71 HN TYR 71 89.994 8.226 -2.709 602 HA TYR 71 HA TYR 71 90.675 6.760 -0.349 603 HB2 TYR 71 HB2 TYR 71 89.044 9.298 -0.431 604 HB3 TYR 71 HB1 TYR 71 90.118 8.731 0.846 605 HD1 TYR 71 HD1 TYR 71 89.921 10.288 -2.478 606 HD2 TYR 71 HD2 TYR 71 92.570 8.917 0.616 607 HE1 TYR 71 HE1 TYR 71 91.790 11.535 -3.522 608 HE2 TYR 71 HE2 TYR 71 94.436 10.157 -0.437 609 HH TYR 71 HH TYR 71 93.915 12.441 -2.988 610 H ASP 72 HN ASP 72 89.382 4.934 -0.340 611 HA ASP 72 HA ASP 72 86.896 5.151 1.028 612 HB2 ASP 72 HB2 ASP 72 86.865 4.514 -1.921 613 HB3 ASP 72 HB1 ASP 72 85.658 3.811 -0.850 614 H GLY 73 HN GLY 73 89.600 3.886 0.994 615 HA2 GLY 73 HA2 GLY 73 89.980 1.869 2.321 616 HA3 GLY 73 HA1 GLY 73 88.774 1.058 1.328 617 H ILE 74 HN ILE 74 90.026 2.690 -1.019 618 HA ILE 74 HA ILE 74 92.232 0.774 -1.567 619 HB ILE 74 HB ILE 74 90.326 2.157 -3.456 620 HG12 ILE 74 HG12 ILE 74 90.653 -0.790 -2.848 621 HG13 ILE 74 HG11 ILE 74 89.469 0.229 -2.027 622 HG21 ILE 74 HG21 ILE 74 92.703 0.344 -3.893 623 HG22 ILE 74 HG22 ILE 74 92.388 1.920 -4.618 624 HG23 ILE 74 HG23 ILE 74 91.428 0.522 -5.100 625 HD11 ILE 74 HD11 ILE 74 88.342 -0.803 -3.886 626 HD12 ILE 74 HD12 ILE 74 89.646 -0.363 -4.988 627 HD13 ILE 74 HD13 ILE 74 88.602 0.888 -4.316 628 H HIS 75 HN HIS 75 94.189 1.560 -1.855 629 HA HIS 75 HA HIS 75 94.603 4.226 -3.010 630 HB2 HIS 75 HB2 HIS 75 96.533 3.790 -0.865 631 HB3 HIS 75 HB1 HIS 75 95.440 5.152 -1.105 632 HD1 HIS 75 HD1 HIS 75 95.368 1.601 0.239 633 HD2 HIS 75 HD2 HIS 75 93.301 5.193 0.695 634 HE1 HIS 75 HE1 HIS 75 93.668 1.217 2.067 635 H TYR 76 HN TYR 76 95.760 3.758 -4.808 636 HA TYR 76 HA TYR 76 97.630 1.486 -4.738 637 HB2 TYR 76 HB2 TYR 76 96.699 3.209 -7.043 638 HB3 TYR 76 HB1 TYR 76 97.759 1.804 -7.176 639 HD1 TYR 76 HD1 TYR 76 96.900 -0.444 -6.254 640 HD2 TYR 76 HD2 TYR 76 94.358 2.934 -7.003 641 HE1 TYR 76 HE1 TYR 76 94.923 -1.942 -6.309 642 HE2 TYR 76 HE2 TYR 76 92.385 1.439 -7.064 643 HH TYR 76 HH TYR 76 91.867 -0.901 -7.449 644 H LEU 77 HN LEU 77 99.731 1.715 -4.507 645 HA LEU 77 HA LEU 77 100.966 4.376 -4.647 646 HB2 LEU 77 HB2 LEU 77 102.272 1.795 -3.780 647 HB3 LEU 77 HB1 LEU 77 102.754 3.441 -3.392 648 HG LEU 77 HG LEU 77 100.259 2.012 -2.430 649 HD11 LEU 77 HD11 LEU 77 102.603 3.137 -0.875 650 HD12 LEU 77 HD12 LEU 77 102.453 1.440 -1.331 651 HD13 LEU 77 HD13 LEU 77 101.272 2.169 -0.243 652 HD21 LEU 77 HD21 LEU 77 101.177 4.879 -2.194 653 HD22 LEU 77 HD22 LEU 77 100.057 4.171 -1.033 654 HD23 LEU 77 HD23 LEU 77 99.612 4.279 -2.738 655 H ASP 78 HN ASP 78 100.762 4.451 -7.000 656 HA ASP 78 HA ASP 78 102.359 2.446 -8.478 657 HB2 ASP 78 HB2 ASP 78 100.280 4.436 -9.383 658 HB3 ASP 78 HB1 ASP 78 101.227 3.431 -10.482 659 H ILE 79 HN ILE 79 104.139 2.902 -9.555 660 HA ILE 79 HA ILE 79 104.987 5.722 -9.882 661 HB ILE 79 HB ILE 79 107.343 4.916 -9.520 662 HG12 ILE 79 HG12 ILE 79 105.961 2.511 -8.319 663 HG13 ILE 79 HG11 ILE 79 106.779 2.495 -9.878 664 HG21 ILE 79 HG21 ILE 79 105.982 6.096 -7.774 665 HG22 ILE 79 HG22 ILE 79 107.178 4.991 -7.095 666 HG23 ILE 79 HG23 ILE 79 105.480 4.521 -7.163 667 HD11 ILE 79 HD11 ILE 79 108.547 3.661 -7.902 668 HD12 ILE 79 HD12 ILE 79 108.773 2.211 -8.872 669 HD13 ILE 79 HD13 ILE 79 107.949 2.108 -7.319 670 H VAL 80 HN VAL 80 106.695 5.927 -11.656 671 HA VAL 80 HA VAL 80 106.360 3.838 -13.716 672 HB VAL 80 HB VAL 80 106.065 5.603 -15.407 673 HG11 VAL 80 HG11 VAL 80 104.094 4.528 -14.328 674 HG12 VAL 80 HG12 VAL 80 103.761 6.196 -14.801 675 HG13 VAL 80 HG13 VAL 80 104.089 5.807 -13.112 676 HG21 VAL 80 HG21 VAL 80 107.184 7.462 -14.351 677 HG22 VAL 80 HG22 VAL 80 106.114 7.384 -12.953 678 HG23 VAL 80 HG23 VAL 80 105.487 7.914 -14.512 679 H ASP 81 HN ASP 81 107.970 4.268 -15.560 680 HA ASP 81 HA ASP 81 110.584 4.198 -14.527 681 HB2 ASP 81 HB2 ASP 81 109.587 4.722 -17.338 682 HB3 ASP 81 HB1 ASP 81 111.280 4.462 -16.926 683 H CYS 82 HN CYS 82 110.287 6.207 -13.175 684 HA CYS 82 HA CYS 82 111.980 8.209 -13.721 685 HB2 CYS 82 HB2 CYS 82 109.473 8.636 -15.264 686 HB3 CYS 82 HB1 CYS 82 110.079 10.042 -14.394 687 HG CYS 82 HG CYS 82 112.460 9.416 -15.669 688 H LYS 83 HN LYS 83 112.082 9.679 -12.043 689 HA LYS 83 HA LYS 83 111.641 10.621 -10.019 690 HB2 LYS 83 HB2 LYS 83 108.740 10.030 -10.670 691 HB3 LYS 83 HB1 LYS 83 109.325 11.105 -9.403 692 HG2 LYS 83 HG2 LYS 83 110.466 12.485 -11.110 693 HG3 LYS 83 HG1 LYS 83 109.838 11.424 -12.371 694 HD2 LYS 83 HD2 LYS 83 107.533 11.996 -11.730 695 HD3 LYS 83 HD1 LYS 83 108.141 13.036 -10.440 696 HE2 LYS 83 HE2 LYS 83 107.681 14.490 -12.279 697 HE3 LYS 83 HE1 LYS 83 109.434 14.296 -12.247 698 HZ1 LYS 83 HZ1 LYS 83 108.484 12.211 -13.771 699 HZ2 LYS 83 HZ2 LYS 83 109.288 13.599 -14.329 700 HZ3 LYS 83 HZ3 LYS 83 107.591 13.561 -14.276 701 H SER 84 HN SER 84 112.732 8.375 -9.541 702 HA SER 84 HA SER 84 111.159 7.161 -7.401 703 HB2 SER 84 HB2 SER 84 112.716 5.332 -9.196 704 HB3 SER 84 HB1 SER 84 111.301 4.990 -8.202 705 HG SER 84 HG SER 84 111.497 6.038 -10.763 706 H TYR 85 HN TYR 85 114.262 7.679 -8.986 707 HA TYR 85 HA TYR 85 116.057 6.375 -7.391 708 HB2 TYR 85 HB2 TYR 85 116.855 7.462 -9.310 709 HB3 TYR 85 HB1 TYR 85 116.257 9.029 -8.795 710 HD1 TYR 85 HD1 TYR 85 118.517 6.304 -7.557 711 HD2 TYR 85 HD2 TYR 85 117.842 10.519 -7.947 712 HE1 TYR 85 HE1 TYR 85 120.718 6.749 -6.507 713 HE2 TYR 85 HE2 TYR 85 120.039 10.970 -6.898 714 HH TYR 85 HH TYR 85 122.250 8.320 -6.065 715 H ASP 86 HN ASP 86 114.709 6.622 -5.275 716 HA ASP 86 HA ASP 86 116.296 8.197 -3.482 717 HB2 ASP 86 HB2 ASP 86 114.217 9.350 -2.533 718 HB3 ASP 86 HB1 ASP 86 114.850 9.998 -4.045 719 H THR 87 HN THR 87 116.584 6.801 -1.822 720 HA THR 87 HA THR 87 114.736 4.610 -1.451 721 HB THR 87 HB THR 87 116.352 3.886 0.270 722 HG1 THR 87 HG1 THR 87 118.227 5.733 -0.249 723 HG21 THR 87 HG21 THR 87 117.923 4.878 -2.102 724 HG22 THR 87 HG22 THR 87 116.694 3.627 -2.297 725 HG23 THR 87 HG23 THR 87 118.078 3.346 -1.240 726 H GLY 88 HN GLY 88 113.042 4.513 0.007 727 HA2 GLY 88 HA2 GLY 88 113.143 6.346 2.330 728 HA3 GLY 88 HA1 GLY 88 111.751 6.395 1.253 729 H GLU 89 HN GLU 89 110.484 5.847 3.112 730 HA GLU 89 HA GLU 89 110.319 2.935 3.506 731 HB2 GLU 89 HB2 GLU 89 110.426 4.968 5.750 732 HB3 GLU 89 HB1 GLU 89 109.962 3.277 5.947 733 HG2 GLU 89 HG2 GLU 89 112.146 2.573 5.043 734 HG3 GLU 89 HG1 GLU 89 112.607 4.261 4.862 735 H VAL 90 HN VAL 90 108.250 2.191 3.835 736 HA VAL 90 HA VAL 90 106.082 4.211 3.699 737 HB VAL 90 HB VAL 90 106.490 2.802 1.614 738 HG11 VAL 90 HG11 VAL 90 105.151 0.592 3.159 739 HG12 VAL 90 HG12 VAL 90 106.911 0.716 3.122 740 HG13 VAL 90 HG13 VAL 90 106.008 0.504 1.624 741 HG21 VAL 90 HG21 VAL 90 103.854 2.713 3.102 742 HG22 VAL 90 HG22 VAL 90 104.021 2.226 1.417 743 HG23 VAL 90 HG23 VAL 90 104.364 3.886 1.891 744 H LYS 91 HN LYS 91 104.554 4.084 5.167 745 HA LYS 91 HA LYS 91 104.205 1.657 6.792 746 HB2 LYS 91 HB2 LYS 91 105.686 3.224 8.056 747 HB3 LYS 91 HB1 LYS 91 104.441 4.457 7.933 748 HG2 LYS 91 HG2 LYS 91 102.858 3.014 9.138 749 HG3 LYS 91 HG1 LYS 91 104.082 1.751 9.243 750 HD2 LYS 91 HD2 LYS 91 105.537 3.280 10.545 751 HD3 LYS 91 HD1 LYS 91 104.285 4.521 10.463 752 HE2 LYS 91 HE2 LYS 91 102.724 3.076 11.669 753 HE3 LYS 91 HE1 LYS 91 103.908 1.770 11.683 754 HZ1 LYS 91 HZ1 LYS 91 105.267 2.910 13.153 755 HZ2 LYS 91 HZ2 LYS 91 103.709 3.244 13.742 756 HZ3 LYS 91 HZ3 LYS 91 104.546 4.412 12.834 757 H VAL 92 HN VAL 92 102.094 1.208 7.090 758 HA VAL 92 HA VAL 92 100.130 3.215 6.119 759 HB VAL 92 HB VAL 92 99.962 0.201 6.175 760 HG11 VAL 92 HG11 VAL 92 98.127 2.378 5.159 761 HG12 VAL 92 HG12 VAL 92 97.756 1.119 6.338 762 HG13 VAL 92 HG13 VAL 92 97.992 0.700 4.639 763 HG21 VAL 92 HG21 VAL 92 101.601 1.011 4.533 764 HG22 VAL 92 HG22 VAL 92 100.407 2.134 3.883 765 HG23 VAL 92 HG23 VAL 92 100.164 0.395 3.719 766 H THR 93 HN THR 93 98.732 3.976 7.515 767 HA THR 93 HA THR 93 98.164 2.460 10.006 768 HB THR 93 HB THR 93 97.971 4.565 11.172 769 HG1 THR 93 HG1 THR 93 98.661 5.819 8.729 770 HG21 THR 93 HG21 THR 93 100.451 4.531 9.428 771 HG22 THR 93 HG22 THR 93 100.238 3.623 10.924 772 HG23 THR 93 HG23 THR 93 100.289 5.383 10.962 773 H ALA 94 HN ALA 94 96.119 1.877 10.198 774 HA ALA 94 HA ALA 94 94.035 3.320 8.678 775 HB1 ALA 94 HB1 ALA 94 92.902 1.223 8.385 776 HB2 ALA 94 HB2 ALA 94 94.029 0.398 9.461 777 HB3 ALA 94 HB3 ALA 94 94.577 0.978 7.889 778 H GLU 95 HN GLU 95 92.022 3.478 9.658 779 HA GLU 95 HA GLU 95 91.919 3.002 12.577 780 HB2 GLU 95 HB2 GLU 95 92.374 5.395 11.964 781 HB3 GLU 95 HB1 GLU 95 90.833 5.419 11.110 782 HG2 GLU 95 HG2 GLU 95 90.433 6.314 13.310 783 HG3 GLU 95 HG1 GLU 95 89.729 4.701 13.278 784 H ASN 96 HN ASN 96 89.740 2.658 13.384 785 HA ASN 96 HA ASN 96 87.584 2.349 11.495 786 HB2 ASN 96 HB2 ASN 96 88.404 -0.124 13.018 787 HB3 ASN 96 HB1 ASN 96 87.279 0.012 11.675 788 HD21 ASN 96 HD21 ASN 96 88.262 0.570 9.502 789 HD22 ASN 96 HD22 ASN 96 89.850 0.062 9.186 790 HA PRO 97 HA PRO 97 85.422 3.442 15.185 791 HB2 PRO 97 HB2 PRO 97 83.111 1.749 14.781 792 HB3 PRO 97 HB1 PRO 97 83.256 3.486 14.493 793 HG2 PRO 97 HG2 PRO 97 83.178 1.351 12.562 794 HG3 PRO 97 HG1 PRO 97 83.208 3.095 12.275 795 HD2 PRO 97 HD2 PRO 97 85.333 1.243 11.805 796 HD3 PRO 97 HD1 PRO 97 85.402 3.010 11.673 797 H GLU 98 HN GLU 98 85.939 0.016 14.485 798 HA GLU 98 HA GLU 98 85.626 -0.593 17.380 799 HB2 GLU 98 HB2 GLU 98 85.296 -2.361 14.960 800 HB3 GLU 98 HB1 GLU 98 85.338 -2.961 16.618 801 HG2 GLU 98 HG2 GLU 98 83.417 -1.567 17.207 802 HG3 GLU 98 HG1 GLU 98 83.396 -0.873 15.588 803 H GLY 99 HN GLY 99 88.139 0.013 15.275 804 HA2 GLY 99 HA2 GLY 99 90.029 -1.191 17.015 805 HA3 GLY 99 HA1 GLY 99 89.861 -2.143 15.547 806 H VAL 100 HN VAL 100 92.234 -1.245 15.962 807 HA VAL 100 HA VAL 100 92.664 0.762 13.872 808 HB VAL 100 HB VAL 100 92.725 2.030 16.008 809 HG11 VAL 100 HG11 VAL 100 95.137 0.341 16.706 810 HG12 VAL 100 HG12 VAL 100 93.526 -0.005 17.334 811 HG13 VAL 100 HG13 VAL 100 94.310 1.527 17.717 812 HG21 VAL 100 HG21 VAL 100 95.465 1.633 14.760 813 HG22 VAL 100 HG22 VAL 100 94.907 3.067 15.621 814 HG23 VAL 100 HG23 VAL 100 94.186 2.631 14.072 815 H ILE 101 HN ILE 101 94.482 0.310 12.653 816 HA ILE 101 HA ILE 101 96.237 -1.896 13.574 817 HB ILE 101 HB ILE 101 94.973 -1.624 10.841 818 HG12 ILE 101 HG12 ILE 101 94.605 -3.800 12.927 819 HG13 ILE 101 HG11 ILE 101 93.477 -2.456 12.727 820 HG21 ILE 101 HG21 ILE 101 97.052 -3.481 12.008 821 HG22 ILE 101 HG22 ILE 101 97.125 -2.553 10.510 822 HG23 ILE 101 HG23 ILE 101 96.069 -3.959 10.625 823 HD11 ILE 101 HD11 ILE 101 94.263 -4.274 10.436 824 HD12 ILE 101 HD12 ILE 101 92.925 -3.125 10.500 825 HD13 ILE 101 HD13 ILE 101 92.873 -4.594 11.475 826 H GLU 102 HN GLU 102 98.267 -2.060 12.407 827 HA GLU 102 HA GLU 102 99.115 0.085 10.692 828 HB2 GLU 102 HB2 GLU 102 100.771 1.071 12.162 829 HB3 GLU 102 HB1 GLU 102 99.188 1.185 12.919 830 HG2 GLU 102 HG2 GLU 102 100.552 0.424 14.671 831 HG3 GLU 102 HG1 GLU 102 99.808 -1.055 14.076 832 H HIS 103 HN HIS 103 101.022 -0.397 9.602 833 HA HIS 103 HA HIS 103 102.532 -2.799 10.422 834 HB2 HIS 103 HB2 HIS 103 101.167 -2.357 7.766 835 HB3 HIS 103 HB1 HIS 103 102.525 -3.465 7.946 836 HD1 HIS 103 HD1 HIS 103 98.977 -3.461 8.013 837 HD2 HIS 103 HD2 HIS 103 101.904 -5.401 10.253 838 HE1 HIS 103 HE1 HIS 103 97.864 -5.493 9.029 839 H LYS 104 HN LYS 104 104.670 -2.696 9.997 840 HA LYS 104 HA LYS 104 105.686 -0.222 8.725 841 HB2 LYS 104 HB2 LYS 104 106.381 -0.724 11.063 842 HB3 LYS 104 HB1 LYS 104 107.146 -2.204 10.491 843 HG2 LYS 104 HG2 LYS 104 108.571 -0.858 8.961 844 HG3 LYS 104 HG1 LYS 104 107.836 0.612 9.593 845 HD2 LYS 104 HD2 LYS 104 109.193 -1.397 11.397 846 HD3 LYS 104 HD1 LYS 104 110.091 -0.099 10.614 847 HE2 LYS 104 HE2 LYS 104 108.416 1.522 11.652 848 HE3 LYS 104 HE1 LYS 104 107.824 0.164 12.607 849 HZ1 LYS 104 HZ1 LYS 104 109.522 0.364 13.977 850 HZ2 LYS 104 HZ2 LYS 104 109.993 1.774 13.157 851 HZ3 LYS 104 HZ3 LYS 104 110.643 0.271 12.707 852 H VAL 105 HN VAL 105 106.487 -0.359 6.761 853 HA VAL 105 HA VAL 105 107.798 -2.850 5.850 854 HB VAL 105 HB VAL 105 105.693 -1.226 4.414 855 HG11 VAL 105 HG11 VAL 105 107.436 -1.503 2.778 856 HG12 VAL 105 HG12 VAL 105 106.238 -2.751 2.450 857 HG13 VAL 105 HG13 VAL 105 107.732 -3.163 3.290 858 HG21 VAL 105 HG21 VAL 105 105.994 -4.211 4.833 859 HG22 VAL 105 HG22 VAL 105 104.589 -3.366 4.182 860 HG23 VAL 105 HG23 VAL 105 105.032 -3.162 5.877 861 H LYS 106 HN LYS 106 109.307 -2.402 4.005 862 HA LYS 106 HA LYS 106 110.304 0.398 4.036 863 HB2 LYS 106 HB2 LYS 106 111.915 -2.141 4.356 864 HB3 LYS 106 HB1 LYS 106 112.609 -0.543 4.079 865 HG2 LYS 106 HG2 LYS 106 111.611 0.299 6.136 866 HG3 LYS 106 HG1 LYS 106 110.771 -1.228 6.388 867 HD2 LYS 106 HD2 LYS 106 112.692 -1.338 7.791 868 HD3 LYS 106 HD1 LYS 106 113.066 -2.347 6.394 869 HE2 LYS 106 HE2 LYS 106 114.497 -0.701 5.452 870 HE3 LYS 106 HE1 LYS 106 113.870 0.570 6.504 871 HZ1 LYS 106 HZ1 LYS 106 114.773 -1.356 8.217 872 HZ2 LYS 106 HZ2 LYS 106 115.566 0.096 7.834 873 HZ3 LYS 106 HZ3 LYS 106 115.947 -1.330 6.994 874 H LEU 107 HN LEU 107 110.518 1.233 2.100 875 HA LEU 107 HA LEU 107 111.023 -0.543 -0.231 876 HB2 LEU 107 HB2 LEU 107 109.495 2.079 -0.208 877 HB3 LEU 107 HB1 LEU 107 109.753 1.028 -1.597 878 HG LEU 107 HG LEU 107 108.220 0.291 0.913 879 HD11 LEU 107 HD11 LEU 107 106.271 0.249 -0.671 880 HD12 LEU 107 HD12 LEU 107 107.323 0.923 -1.916 881 HD13 LEU 107 HD13 LEU 107 106.963 1.861 -0.468 882 HD21 LEU 107 HD21 LEU 107 109.019 -1.224 -1.567 883 HD22 LEU 107 HD22 LEU 107 107.555 -1.666 -0.682 884 HD23 LEU 107 HD23 LEU 107 109.122 -1.730 0.121 885 H GLU 108 HN GLU 108 112.983 -0.208 -1.098 886 HA GLU 108 HA GLU 108 114.160 2.499 -0.894 887 HB2 GLU 108 HB2 GLU 108 115.865 0.023 -0.939 888 HB3 GLU 108 HB1 GLU 108 116.230 1.615 -0.282 889 HG2 GLU 108 HG2 GLU 108 114.251 -0.363 0.892 890 HG3 GLU 108 HG1 GLU 108 115.869 -0.049 1.509 891 H ILE 109 HN ILE 109 114.594 3.356 -2.917 892 HA ILE 109 HA ILE 109 114.968 1.374 -5.105 893 HB ILE 109 HB ILE 109 113.164 2.266 -6.056 894 HG12 ILE 109 HG12 ILE 109 113.236 4.555 -7.017 895 HG13 ILE 109 HG11 ILE 109 114.798 4.805 -6.263 896 HG21 ILE 109 HG21 ILE 109 112.048 4.331 -5.139 897 HG22 ILE 109 HG22 ILE 109 113.367 4.404 -3.981 898 HG23 ILE 109 HG23 ILE 109 112.293 3.018 -3.988 899 HD11 ILE 109 HD11 ILE 109 115.659 2.863 -7.606 900 HD12 ILE 109 HD12 ILE 109 115.038 4.155 -8.609 901 HD13 ILE 109 HD13 ILE 109 114.068 2.713 -8.340 902 H GLN 110 HN GLN 110 116.716 1.288 -6.034 903 HA GLN 110 HA GLN 110 118.809 3.290 -5.576 904 HB2 GLN 110 HB2 GLN 110 118.824 0.536 -6.815 905 HB3 GLN 110 HB1 GLN 110 120.241 1.580 -6.781 906 HG2 GLN 110 HG2 GLN 110 120.174 1.682 -4.356 907 HG3 GLN 110 HG1 GLN 110 118.679 0.749 -4.329 908 HE21 GLN 110 HE21 GLN 110 120.318 -0.624 -2.886 909 HE22 GLN 110 HE22 GLN 110 121.173 -1.830 -3.720 910 H GLN 111 HN GLN 111 119.657 1.918 -8.416 911 HA GLN 111 HA GLN 111 118.122 3.605 -10.207 912 HB2 GLN 111 HB2 GLN 111 120.106 4.838 -11.022 913 HB3 GLN 111 HB1 GLN 111 119.741 5.216 -9.340 914 HG2 GLN 111 HG2 GLN 111 121.805 3.170 -10.219 915 HG3 GLN 111 HG1 GLN 111 122.180 4.828 -9.764 916 HE21 GLN 111 HE21 GLN 111 122.657 1.997 -8.460 917 HE22 GLN 111 HE22 GLN 111 122.210 2.259 -6.842 918 H LEU 112 HN LEU 112 118.682 3.265 -12.451 919 HA LEU 112 HA LEU 112 119.898 0.602 -12.919 920 HB2 LEU 112 HB2 LEU 112 117.519 0.772 -13.533 921 HB3 LEU 112 HB1 LEU 112 117.879 2.150 -14.570 922 HG LEU 112 HG LEU 112 119.335 0.727 -15.970 923 HD11 LEU 112 HD11 LEU 112 118.992 -1.847 -15.493 924 HD12 LEU 112 HD12 LEU 112 118.674 -1.303 -13.847 925 HD13 LEU 112 HD13 LEU 112 120.225 -0.951 -14.609 926 HD21 LEU 112 HD21 LEU 112 117.568 -0.569 -17.011 927 HD22 LEU 112 HD22 LEU 112 116.869 0.932 -16.408 928 HD23 LEU 112 HD23 LEU 112 116.632 -0.570 -15.516 929 H GLU 113 HN GLU 113 119.217 3.309 -15.093 930 HA GLU 113 HA GLU 113 121.856 3.054 -16.302 931 HB2 GLU 113 HB2 GLU 113 119.755 3.386 -17.639 932 HB3 GLU 113 HB1 GLU 113 119.621 4.998 -16.938 933 HG2 GLU 113 HG2 GLU 113 120.708 5.230 -19.074 934 HG3 GLU 113 HG1 GLU 113 121.930 5.490 -17.832 935 H HIS 114 HN HIS 114 123.574 4.244 -15.720 936 HA HIS 114 HA HIS 114 123.478 6.123 -13.623 937 HB2 HIS 114 HB2 HIS 114 125.532 4.902 -14.198 938 HB3 HIS 114 HB1 HIS 114 125.625 5.772 -15.729 939 HD1 HIS 114 HD1 HIS 114 127.872 6.923 -15.002 940 HD2 HIS 114 HD2 HIS 114 124.627 7.822 -12.542 941 HE1 HIS 114 HE1 HIS 114 128.566 8.909 -13.588 942 H HIS 115 HN HIS 115 123.746 6.594 -17.147 943 HA HIS 115 HA HIS 115 122.612 9.294 -16.828 944 HB2 HIS 115 HB2 HIS 115 125.068 9.583 -16.879 945 HB3 HIS 115 HB1 HIS 115 125.130 8.714 -18.411 946 HD1 HIS 115 HD1 HIS 115 123.225 11.715 -16.994 947 HD2 HIS 115 HD2 HIS 115 124.970 10.435 -20.556 948 HE1 HIS 115 HE1 HIS 115 122.941 13.610 -18.653 949 H HIS 116 HN HIS 116 121.251 9.870 -18.456 950 HA HIS 116 HA HIS 116 120.538 7.815 -20.386 951 HB2 HIS 116 HB2 HIS 116 118.720 8.968 -19.311 952 HB3 HIS 116 HB1 HIS 116 119.377 10.540 -19.760 953 HD1 HIS 116 HD1 HIS 116 118.387 7.358 -21.648 954 HD2 HIS 116 HD2 HIS 116 118.093 11.500 -21.994 955 HE1 HIS 116 HE1 HIS 116 117.095 7.808 -23.780 956 H HIS 117 HN HIS 117 121.186 7.732 -22.427 957 HA HIS 117 HA HIS 117 121.892 10.101 -23.932 958 HB2 HIS 117 HB2 HIS 117 123.957 9.631 -22.603 959 HB3 HIS 117 HB1 HIS 117 124.021 8.032 -23.342 960 HD1 HIS 117 HD1 HIS 117 124.082 11.696 -24.343 961 HD2 HIS 117 HD2 HIS 117 125.216 7.980 -25.852 962 HE1 HIS 117 HE1 HIS 117 125.362 12.150 -26.482 963 H HIS 118 HN HIS 118 121.057 6.832 -23.607 964 HA HIS 118 HA HIS 118 121.269 6.327 -26.523 965 HB2 HIS 118 HB2 HIS 118 121.073 4.429 -24.177 966 HB3 HIS 118 HB1 HIS 118 121.050 3.932 -25.870 967 HD1 HIS 118 HD1 HIS 118 123.295 5.577 -23.311 968 HD2 HIS 118 HD2 HIS 118 123.569 3.894 -27.114 969 HE1 HIS 118 HE1 HIS 118 125.765 5.432 -23.852 970 H HIS 119 HN HIS 119 119.495 5.650 -27.668 971 HA HIS 119 HA HIS 119 117.251 5.752 -28.230 972 HB2 HIS 119 HB2 HIS 119 117.102 4.095 -25.698 973 HB3 HIS 119 HB1 HIS 119 115.894 4.138 -26.980 974 HD1 HIS 119 HD1 HIS 119 117.428 1.516 -26.214 975 HD2 HIS 119 HD2 HIS 119 118.511 4.064 -29.333 976 HE1 HIS 119 HE1 HIS 119 118.783 0.123 -27.838 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 68.426 3.443 -2.993 2 H2 ARG 1 HT2 ARG 1 69.931 3.921 -3.623 3 H3 ARG 1 HT3 ARG 1 69.747 2.378 -2.941 4 HA ARG 1 HA ARG 1 68.329 1.670 -4.694 5 HB2 ARG 1 HB2 ARG 1 67.262 3.973 -4.840 6 HB3 ARG 1 HB1 ARG 1 68.625 4.457 -5.843 7 HG2 ARG 1 HG2 ARG 1 68.080 2.755 -7.490 8 HG3 ARG 1 HG1 ARG 1 66.811 2.104 -6.452 9 HD2 ARG 1 HD2 ARG 1 66.852 4.930 -7.551 10 HD3 ARG 1 HD1 ARG 1 65.957 3.598 -8.275 11 HE ARG 1 HE ARG 1 65.125 3.665 -5.646 12 HH11 ARG 1 HH11 ARG 1 65.333 6.503 -5.393 13 HH12 ARG 1 HH12 ARG 1 63.922 7.139 -6.167 14 HH21 ARG 1 HH21 ARG 1 63.251 4.220 -7.924 15 HH22 ARG 1 HH22 ARG 1 62.739 5.845 -7.603 16 H MET 2 HN MET 2 71.332 2.839 -4.133 17 HA MET 2 HA MET 2 72.548 2.666 -6.725 18 HB2 MET 2 HB2 MET 2 73.746 2.514 -3.949 19 HB3 MET 2 HB1 MET 2 74.676 2.633 -5.441 20 HG2 MET 2 HG2 MET 2 73.512 4.768 -5.970 21 HG3 MET 2 HG1 MET 2 72.666 4.660 -4.426 22 HE1 MET 2 HE1 MET 2 73.576 6.994 -4.730 23 HE2 MET 2 HE2 MET 2 75.122 7.545 -4.095 24 HE3 MET 2 HE3 MET 2 73.885 6.954 -2.988 25 H ALA 3 HN ALA 3 70.892 0.371 -5.635 26 HA ALA 3 HA ALA 3 72.516 -1.837 -5.061 27 HB1 ALA 3 HB1 ALA 3 69.861 -1.818 -6.499 28 HB2 ALA 3 HB2 ALA 3 70.053 -1.718 -4.747 29 HB3 ALA 3 HB3 ALA 3 70.570 -3.168 -5.609 30 H HIS 4 HN HIS 4 71.445 -0.509 -8.180 31 HA HIS 4 HA HIS 4 72.442 -2.670 -9.756 32 HB2 HIS 4 HB2 HIS 4 72.267 -0.927 -11.623 33 HB3 HIS 4 HB1 HIS 4 70.781 -1.297 -10.748 34 HD1 HIS 4 HD1 HIS 4 69.978 1.148 -11.480 35 HD2 HIS 4 HD2 HIS 4 73.169 1.046 -8.796 36 HE1 HIS 4 HE1 HIS 4 70.136 3.460 -10.469 37 H GLU 5 HN GLU 5 74.515 -2.488 -8.203 38 HA GLU 5 HA GLU 5 76.486 -0.553 -8.866 39 HB2 GLU 5 HB2 GLU 5 76.644 -3.270 -7.561 40 HB3 GLU 5 HB1 GLU 5 78.047 -2.221 -7.759 41 HG2 GLU 5 HG2 GLU 5 76.937 -0.461 -6.457 42 HG3 GLU 5 HG1 GLU 5 75.494 -1.458 -6.312 43 H GLY 6 HN GLY 6 76.309 -4.024 -9.688 44 HA2 GLY 6 HA2 GLY 6 77.064 -3.607 -12.408 45 HA3 GLY 6 HA1 GLY 6 78.441 -4.150 -11.453 46 H ALA 7 HN ALA 7 78.725 -6.253 -11.288 47 HA ALA 7 HA ALA 7 77.066 -8.149 -12.518 48 HB1 ALA 7 HB1 ALA 7 79.041 -8.673 -10.296 49 HB2 ALA 7 HB2 ALA 7 79.507 -8.414 -11.978 50 HB3 ALA 7 HB3 ALA 7 78.510 -9.803 -11.542 51 H LEU 8 HN LEU 8 75.680 -9.706 -11.675 52 HA LEU 8 HA LEU 8 74.208 -8.893 -9.296 53 HB2 LEU 8 HB2 LEU 8 73.253 -9.699 -11.588 54 HB3 LEU 8 HB1 LEU 8 73.647 -11.310 -11.013 55 HG LEU 8 HG LEU 8 71.330 -10.855 -10.492 56 HD11 LEU 8 HD11 LEU 8 71.310 -11.408 -8.212 57 HD12 LEU 8 HD12 LEU 8 72.754 -10.466 -7.875 58 HD13 LEU 8 HD13 LEU 8 72.878 -11.981 -8.768 59 HD21 LEU 8 HD21 LEU 8 72.006 -8.557 -8.676 60 HD22 LEU 8 HD22 LEU 8 70.505 -8.919 -9.521 61 HD23 LEU 8 HD23 LEU 8 71.870 -8.245 -10.409 62 H THR 9 HN THR 9 74.633 -9.736 -7.325 63 HA THR 9 HA THR 9 76.288 -12.181 -7.126 64 HB THR 9 HB THR 9 76.554 -11.361 -4.720 65 HG1 THR 9 HG1 THR 9 75.027 -9.344 -5.898 66 HG21 THR 9 HG21 THR 9 77.493 -9.729 -7.088 67 HG22 THR 9 HG22 THR 9 78.347 -11.053 -6.295 68 HG23 THR 9 HG23 THR 9 78.132 -9.511 -5.459 69 H GLY 10 HN GLY 10 75.682 -13.902 -5.835 70 HA2 GLY 10 HA2 GLY 10 72.794 -14.176 -5.395 71 HA3 GLY 10 HA1 GLY 10 73.986 -15.475 -5.383 72 H VAL 11 HN VAL 11 75.110 -12.856 -3.640 73 HA VAL 11 HA VAL 11 74.138 -13.977 -1.071 74 HB VAL 11 HB VAL 11 76.401 -13.184 -0.190 75 HG11 VAL 11 HG11 VAL 11 76.033 -15.539 -0.422 76 HG12 VAL 11 HG12 VAL 11 77.570 -15.221 -1.223 77 HG13 VAL 11 HG13 VAL 11 76.108 -15.449 -2.181 78 HG21 VAL 11 HG21 VAL 11 77.034 -13.237 -3.156 79 HG22 VAL 11 HG22 VAL 11 78.183 -12.947 -1.849 80 HG23 VAL 11 HG23 VAL 11 76.915 -11.769 -2.188 81 H THR 12 HN THR 12 73.201 -12.610 0.263 82 HA THR 12 HA THR 12 73.237 -9.718 -0.375 83 HB THR 12 HB THR 12 71.012 -10.481 -0.385 84 HG1 THR 12 HG1 THR 12 71.828 -8.866 1.424 85 HG21 THR 12 HG21 THR 12 70.195 -11.880 1.649 86 HG22 THR 12 HG22 THR 12 71.906 -12.195 1.936 87 HG23 THR 12 HG23 THR 12 71.160 -12.696 0.417 88 H THR 13 HN THR 13 75.479 -10.209 0.771 89 HA THR 13 HA THR 13 75.165 -9.762 3.693 90 HB THR 13 HB THR 13 77.411 -10.628 3.938 91 HG1 THR 13 HG1 THR 13 77.385 -10.196 1.221 92 HG21 THR 13 HG21 THR 13 77.075 -12.931 3.139 93 HG22 THR 13 HG22 THR 13 75.811 -12.373 2.043 94 HG23 THR 13 HG23 THR 13 75.572 -12.278 3.788 95 H ASP 14 HN ASP 14 78.123 -9.024 3.526 96 HA ASP 14 HA ASP 14 79.291 -7.038 3.615 97 HB2 ASP 14 HB2 ASP 14 79.263 -7.529 1.151 98 HB3 ASP 14 HB1 ASP 14 77.860 -6.467 1.018 99 H GLN 15 HN GLN 15 76.503 -7.091 4.709 100 HA GLN 15 HA GLN 15 75.281 -4.591 4.170 101 HB2 GLN 15 HB2 GLN 15 75.049 -6.511 6.495 102 HB3 GLN 15 HB1 GLN 15 74.047 -5.065 6.321 103 HG2 GLN 15 HG2 GLN 15 73.176 -5.862 4.192 104 HG3 GLN 15 HG1 GLN 15 74.256 -7.255 4.231 105 HE21 GLN 15 HE21 GLN 15 71.114 -6.211 5.059 106 HE22 GLN 15 HE22 GLN 15 70.713 -7.473 6.117 107 H LYS 16 HN LYS 16 75.308 -4.521 7.418 108 HA LYS 16 HA LYS 16 77.651 -2.700 7.616 109 HB2 LYS 16 HB2 LYS 16 74.847 -2.384 8.713 110 HB3 LYS 16 HB1 LYS 16 76.219 -1.441 9.298 111 HG2 LYS 16 HG2 LYS 16 76.585 -0.491 7.104 112 HG3 LYS 16 HG1 LYS 16 75.377 -1.553 6.387 113 HD2 LYS 16 HD2 LYS 16 74.237 0.509 6.686 114 HD3 LYS 16 HD1 LYS 16 73.703 -0.486 8.036 115 HE2 LYS 16 HE2 LYS 16 75.189 0.631 9.559 116 HE3 LYS 16 HE1 LYS 16 76.025 1.451 8.242 117 HZ1 LYS 16 HZ1 LYS 16 74.547 3.010 9.168 118 HZ2 LYS 16 HZ2 LYS 16 73.259 1.903 9.206 119 HZ3 LYS 16 HZ3 LYS 16 73.820 2.507 7.723 120 H GLU 17 HN GLU 17 76.628 -5.597 8.447 121 HA GLU 17 HA GLU 17 76.722 -5.714 11.261 122 HB2 GLU 17 HB2 GLU 17 75.872 -7.525 9.784 123 HB3 GLU 17 HB1 GLU 17 77.525 -7.841 9.256 124 HG2 GLU 17 HG2 GLU 17 78.190 -8.402 11.528 125 HG3 GLU 17 HG1 GLU 17 76.591 -7.974 12.137 126 H LYS 18 HN LYS 18 78.412 -6.256 12.665 127 HA LYS 18 HA LYS 18 80.975 -5.188 11.935 128 HB2 LYS 18 HB2 LYS 18 79.928 -6.516 14.433 129 HB3 LYS 18 HB1 LYS 18 81.617 -6.040 14.273 130 HG2 LYS 18 HG2 LYS 18 79.456 -4.036 13.646 131 HG3 LYS 18 HG1 LYS 18 79.865 -4.361 15.327 132 HD2 LYS 18 HD2 LYS 18 82.112 -3.623 15.044 133 HD3 LYS 18 HD1 LYS 18 81.993 -3.660 13.286 134 HE2 LYS 18 HE2 LYS 18 80.392 -1.824 13.311 135 HE3 LYS 18 HE1 LYS 18 80.376 -1.822 15.074 136 HZ1 LYS 18 HZ1 LYS 18 82.278 -0.672 13.259 137 HZ2 LYS 18 HZ2 LYS 18 83.011 -1.618 14.464 138 HZ3 LYS 18 HZ3 LYS 18 81.995 -0.327 14.894 139 H GLN 19 HN GLN 19 82.880 -6.195 11.533 140 HA GLN 19 HA GLN 19 82.953 -9.133 11.474 141 HB2 GLN 19 HB2 GLN 19 82.413 -8.108 9.198 142 HB3 GLN 19 HB1 GLN 19 83.976 -7.302 9.276 143 HG2 GLN 19 HG2 GLN 19 84.097 -9.382 7.960 144 HG3 GLN 19 HG1 GLN 19 85.119 -9.472 9.384 145 HE21 GLN 19 HE21 GLN 19 84.987 -11.513 10.251 146 HE22 GLN 19 HE22 GLN 19 83.575 -12.449 10.368 147 H LYS 20 HN LYS 20 85.357 -9.808 11.145 148 HA LYS 20 HA LYS 20 86.911 -8.452 13.155 149 HB2 LYS 20 HB2 LYS 20 87.497 -10.814 11.374 150 HB3 LYS 20 HB1 LYS 20 88.588 -10.232 12.630 151 HG2 LYS 20 HG2 LYS 20 86.817 -10.577 14.322 152 HG3 LYS 20 HG1 LYS 20 85.741 -11.187 13.062 153 HD2 LYS 20 HD2 LYS 20 87.412 -12.963 12.545 154 HD3 LYS 20 HD1 LYS 20 88.396 -12.391 13.890 155 HE2 LYS 20 HE2 LYS 20 86.707 -12.967 15.490 156 HE3 LYS 20 HE1 LYS 20 85.517 -13.252 14.219 157 HZ1 LYS 20 HZ1 LYS 20 86.717 -15.137 13.464 158 HZ2 LYS 20 HZ2 LYS 20 86.555 -15.297 15.150 159 HZ3 LYS 20 HZ3 LYS 20 88.034 -14.795 14.482 160 HA PRO 21 HA PRO 21 88.811 -5.847 9.930 161 HB2 PRO 21 HB2 PRO 21 90.657 -4.741 11.885 162 HB3 PRO 21 HB1 PRO 21 89.294 -3.945 11.079 163 HG2 PRO 21 HG2 PRO 21 89.431 -4.724 13.780 164 HG3 PRO 21 HG1 PRO 21 88.000 -4.162 12.909 165 HD2 PRO 21 HD2 PRO 21 88.648 -6.888 13.789 166 HD3 PRO 21 HD1 PRO 21 87.111 -6.229 13.198 167 H ASP 22 HN ASP 22 90.844 -5.682 8.894 168 HA ASP 22 HA ASP 22 93.240 -6.859 9.663 169 HB2 ASP 22 HB2 ASP 22 93.101 -8.952 8.202 170 HB3 ASP 22 HB1 ASP 22 92.235 -9.023 9.729 171 H ILE 23 HN ILE 23 94.268 -5.309 8.490 172 HA ILE 23 HA ILE 23 93.463 -4.678 5.797 173 HB ILE 23 HB ILE 23 95.403 -3.153 5.808 174 HG12 ILE 23 HG12 ILE 23 95.840 -3.922 8.705 175 HG13 ILE 23 HG11 ILE 23 96.719 -4.750 7.426 176 HG21 ILE 23 HG21 ILE 23 94.554 -1.739 7.694 177 HG22 ILE 23 HG22 ILE 23 93.588 -3.114 8.231 178 HG23 ILE 23 HG23 ILE 23 93.274 -2.376 6.662 179 HD11 ILE 23 HD11 ILE 23 98.006 -2.825 8.286 180 HD12 ILE 23 HD12 ILE 23 96.687 -1.749 7.862 181 HD13 ILE 23 HD13 ILE 23 97.581 -2.583 6.595 182 H VAL 24 HN VAL 24 94.721 -4.859 3.924 183 HA VAL 24 HA VAL 24 96.678 -7.086 3.927 184 HB VAL 24 HB VAL 24 94.716 -7.764 2.713 185 HG11 VAL 24 HG11 VAL 24 94.979 -5.199 1.120 186 HG12 VAL 24 HG12 VAL 24 93.781 -5.484 2.381 187 HG13 VAL 24 HG13 VAL 24 93.755 -6.450 0.906 188 HG21 VAL 24 HG21 VAL 24 97.009 -8.159 1.680 189 HG22 VAL 24 HG22 VAL 24 96.675 -6.793 0.620 190 HG23 VAL 24 HG23 VAL 24 95.653 -8.228 0.555 191 H LEU 25 HN LEU 25 98.646 -6.695 3.049 192 HA LEU 25 HA LEU 25 99.144 -4.408 1.345 193 HB2 LEU 25 HB2 LEU 25 100.985 -3.602 2.996 194 HB3 LEU 25 HB1 LEU 25 99.328 -3.129 3.294 195 HG LEU 25 HG LEU 25 100.665 -3.977 5.301 196 HD11 LEU 25 HD11 LEU 25 98.747 -4.564 6.360 197 HD12 LEU 25 HD12 LEU 25 98.287 -5.751 5.140 198 HD13 LEU 25 HD13 LEU 25 97.992 -4.040 4.860 199 HD21 LEU 25 HD21 LEU 25 100.127 -6.708 4.089 200 HD22 LEU 25 HD22 LEU 25 100.944 -6.359 5.601 201 HD23 LEU 25 HD23 LEU 25 101.703 -5.914 4.079 202 H TYR 26 HN TYR 26 101.995 -4.356 1.819 203 HA TYR 26 HA TYR 26 102.687 -6.854 0.482 204 HB2 TYR 26 HB2 TYR 26 104.058 -4.233 0.934 205 HB3 TYR 26 HB1 TYR 26 105.069 -5.647 0.631 206 HD1 TYR 26 HD1 TYR 26 105.724 -5.805 -1.619 207 HD2 TYR 26 HD2 TYR 26 101.761 -4.424 -0.689 208 HE1 TYR 26 HE1 TYR 26 105.192 -5.687 -4.043 209 HE2 TYR 26 HE2 TYR 26 101.235 -4.305 -3.109 210 HH TYR 26 HH TYR 26 102.120 -5.502 -5.231 211 HA PRO 27 HA PRO 27 103.665 -8.466 4.621 212 HB2 PRO 27 HB2 PRO 27 104.598 -10.967 3.501 213 HB3 PRO 27 HB1 PRO 27 103.092 -10.651 4.373 214 HG2 PRO 27 HG2 PRO 27 103.418 -11.162 1.595 215 HG3 PRO 27 HG1 PRO 27 101.923 -10.777 2.457 216 HD2 PRO 27 HD2 PRO 27 103.447 -9.074 0.651 217 HD3 PRO 27 HD1 PRO 27 101.884 -8.768 1.419 218 H GLU 28 HN GLU 28 105.804 -8.309 1.850 219 HA GLU 28 HA GLU 28 108.129 -8.264 3.699 220 HB2 GLU 28 HB2 GLU 28 108.169 -9.372 0.880 221 HB3 GLU 28 HB1 GLU 28 109.460 -9.447 2.074 222 HG2 GLU 28 HG2 GLU 28 106.743 -10.732 2.465 223 HG3 GLU 28 HG1 GLU 28 108.161 -11.585 1.865 224 HA PRO 29 HA PRO 29 109.163 -4.457 1.632 225 HB2 PRO 29 HB2 PRO 29 112.031 -4.896 1.419 226 HB3 PRO 29 HB1 PRO 29 111.161 -3.942 2.628 227 HG2 PRO 29 HG2 PRO 29 112.491 -6.284 3.170 228 HG3 PRO 29 HG1 PRO 29 111.169 -5.628 4.153 229 HD2 PRO 29 HD2 PRO 29 111.094 -7.821 2.102 230 HD3 PRO 29 HD1 PRO 29 110.233 -7.695 3.650 231 H VAL 30 HN VAL 30 109.778 -3.482 -0.440 232 HA VAL 30 HA VAL 30 110.668 -5.378 -2.521 233 HB VAL 30 HB VAL 30 108.281 -5.406 -2.749 234 HG11 VAL 30 HG11 VAL 30 106.891 -3.501 -2.712 235 HG12 VAL 30 HG12 VAL 30 108.236 -2.397 -3.023 236 HG13 VAL 30 HG13 VAL 30 108.064 -3.167 -1.448 237 HG21 VAL 30 HG21 VAL 30 109.874 -4.980 -4.794 238 HG22 VAL 30 HG22 VAL 30 109.145 -3.376 -4.809 239 HG23 VAL 30 HG23 VAL 30 108.133 -4.805 -5.021 240 H ARG 31 HN ARG 31 111.912 -4.488 -4.123 241 HA ARG 31 HA ARG 31 112.304 -1.564 -4.142 242 HB2 ARG 31 HB2 ARG 31 114.746 -1.909 -4.172 243 HB3 ARG 31 HB1 ARG 31 114.023 -2.507 -2.678 244 HG2 ARG 31 HG2 ARG 31 114.014 -4.799 -3.605 245 HG3 ARG 31 HG1 ARG 31 114.759 -4.201 -5.088 246 HD2 ARG 31 HD2 ARG 31 116.704 -3.417 -3.804 247 HD3 ARG 31 HD1 ARG 31 115.964 -4.007 -2.318 248 HE ARG 31 HE ARG 31 116.408 -5.957 -4.475 249 HH11 ARG 31 HH11 ARG 31 118.110 -4.363 -1.998 250 HH12 ARG 31 HH12 ARG 31 118.754 -5.803 -1.282 251 HH21 ARG 31 HH21 ARG 31 116.954 -7.950 -3.311 252 HH22 ARG 31 HH22 ARG 31 118.114 -7.821 -2.032 253 H VAL 32 HN VAL 32 113.067 -0.705 -6.093 254 HA VAL 32 HA VAL 32 113.315 -2.586 -8.368 255 HB VAL 32 HB VAL 32 111.063 -1.149 -8.061 256 HG11 VAL 32 HG11 VAL 32 112.648 0.725 -9.823 257 HG12 VAL 32 HG12 VAL 32 112.495 0.994 -8.093 258 HG13 VAL 32 HG13 VAL 32 111.059 0.972 -9.106 259 HG21 VAL 32 HG21 VAL 32 112.573 -1.884 -10.564 260 HG22 VAL 32 HG22 VAL 32 111.007 -1.091 -10.682 261 HG23 VAL 32 HG23 VAL 32 111.153 -2.646 -9.862 262 H LEU 33 HN LEU 33 114.039 -0.925 -10.350 263 HA LEU 33 HA LEU 33 116.458 0.457 -9.354 264 HB2 LEU 33 HB2 LEU 33 116.107 -0.901 -12.039 265 HB3 LEU 33 HB1 LEU 33 117.578 -0.190 -11.386 266 HG LEU 33 HG LEU 33 117.747 -2.573 -11.145 267 HD11 LEU 33 HD11 LEU 33 116.985 -1.651 -8.384 268 HD12 LEU 33 HD12 LEU 33 118.403 -1.004 -9.208 269 HD13 LEU 33 HD13 LEU 33 118.293 -2.730 -8.867 270 HD21 LEU 33 HD21 LEU 33 116.060 -3.987 -10.578 271 HD22 LEU 33 HD22 LEU 33 115.000 -2.639 -10.969 272 HD23 LEU 33 HD23 LEU 33 115.454 -2.949 -9.296 273 H GLU 34 HN GLU 34 116.906 2.495 -10.173 274 HA GLU 34 HA GLU 34 114.864 4.121 -11.130 275 HB2 GLU 34 HB2 GLU 34 116.933 5.106 -10.262 276 HB3 GLU 34 HB1 GLU 34 117.847 4.429 -11.605 277 HG2 GLU 34 HG2 GLU 34 117.343 6.816 -11.981 278 HG3 GLU 34 HG1 GLU 34 116.594 5.802 -13.208 279 H GLY 35 HN GLY 35 113.903 4.394 -13.027 280 HA2 GLY 35 HA2 GLY 35 113.909 4.578 -15.423 281 HA3 GLY 35 HA1 GLY 35 115.190 3.369 -15.488 282 H GLU 36 HN GLU 36 113.227 2.319 -13.128 283 HA GLU 36 HA GLU 36 111.512 0.723 -14.957 284 HB2 GLU 36 HB2 GLU 36 113.332 -0.585 -13.796 285 HB3 GLU 36 HB1 GLU 36 112.594 -0.138 -12.261 286 HG2 GLU 36 HG2 GLU 36 111.772 -2.327 -12.873 287 HG3 GLU 36 HG1 GLU 36 110.446 -1.178 -13.062 288 H THR 37 HN THR 37 109.369 0.893 -14.614 289 HA THR 37 HA THR 37 108.390 2.628 -12.525 290 HB THR 37 HB THR 37 106.285 2.463 -13.596 291 HG1 THR 37 HG1 THR 37 105.702 0.761 -14.837 292 HG21 THR 37 HG21 THR 37 106.774 2.912 -15.913 293 HG22 THR 37 HG22 THR 37 108.294 2.024 -15.811 294 HG23 THR 37 HG23 THR 37 108.101 3.547 -14.942 295 H ALA 38 HN ALA 38 106.764 1.956 -10.949 296 HA ALA 38 HA ALA 38 107.038 -0.899 -10.169 297 HB1 ALA 38 HB1 ALA 38 106.708 1.454 -8.301 298 HB2 ALA 38 HB2 ALA 38 108.273 0.765 -8.738 299 HB3 ALA 38 HB3 ALA 38 107.091 -0.214 -7.874 300 H ARG 39 HN ARG 39 105.284 -1.869 -9.096 301 HA ARG 39 HA ARG 39 102.685 -0.466 -9.328 302 HB2 ARG 39 HB2 ARG 39 103.323 -3.286 -10.242 303 HB3 ARG 39 HB1 ARG 39 101.695 -2.618 -10.114 304 HG2 ARG 39 HG2 ARG 39 102.251 -0.865 -11.731 305 HG3 ARG 39 HG1 ARG 39 103.913 -1.456 -11.820 306 HD2 ARG 39 HD2 ARG 39 102.643 -2.338 -13.710 307 HD3 ARG 39 HD1 ARG 39 103.073 -3.647 -12.618 308 HE ARG 39 HE ARG 39 100.522 -2.652 -11.905 309 HH11 ARG 39 HH11 ARG 39 98.861 -4.215 -12.235 310 HH12 ARG 39 HH12 ARG 39 98.912 -5.197 -13.660 311 HH21 ARG 39 HH21 ARG 39 102.027 -4.071 -14.664 312 HH22 ARG 39 HH22 ARG 39 100.700 -5.124 -15.026 313 H PHE 40 HN PHE 40 102.080 -0.227 -7.287 314 HA PHE 40 HA PHE 40 102.176 -2.589 -5.479 315 HB2 PHE 40 HB2 PHE 40 102.343 0.309 -4.615 316 HB3 PHE 40 HB1 PHE 40 102.498 -1.116 -3.592 317 HD1 PHE 40 HD1 PHE 40 104.336 1.414 -5.127 318 HD2 PHE 40 HD2 PHE 40 104.427 -2.846 -4.549 319 HE1 PHE 40 HE1 PHE 40 106.784 1.427 -5.438 320 HE2 PHE 40 HE2 PHE 40 106.893 -2.825 -4.872 321 HZ PHE 40 HZ PHE 40 108.066 -0.687 -5.311 322 H ARG 41 HN ARG 41 100.377 -2.880 -4.169 323 HA ARG 41 HA ARG 41 98.029 -1.139 -4.602 324 HB2 ARG 41 HB2 ARG 41 96.627 -3.178 -4.774 325 HB3 ARG 41 HB1 ARG 41 97.777 -3.065 -6.108 326 HG2 ARG 41 HG2 ARG 41 99.302 -4.606 -4.915 327 HG3 ARG 41 HG1 ARG 41 98.141 -4.735 -3.596 328 HD2 ARG 41 HD2 ARG 41 96.454 -5.610 -5.165 329 HD3 ARG 41 HD1 ARG 41 97.624 -5.505 -6.478 330 HE ARG 41 HE ARG 41 98.733 -7.075 -4.415 331 HH11 ARG 41 HH11 ARG 41 98.248 -9.337 -4.270 332 HH12 ARG 41 HH12 ARG 41 97.303 -10.061 -5.530 333 HH21 ARG 41 HH21 ARG 41 96.585 -7.046 -7.088 334 HH22 ARG 41 HH22 ARG 41 96.349 -8.761 -7.119 335 H CYS 42 HN CYS 42 96.541 -1.150 -2.847 336 HA CYS 42 HA CYS 42 97.117 -2.800 -0.533 337 HB2 CYS 42 HB2 CYS 42 98.638 -0.751 -0.372 338 HB3 CYS 42 HB1 CYS 42 97.168 0.203 -0.176 339 HG CYS 42 HG CYS 42 98.318 -0.829 2.146 340 H ARG 43 HN ARG 43 95.278 -3.291 0.462 341 HA ARG 43 HA ARG 43 92.905 -1.548 0.098 342 HB2 ARG 43 HB2 ARG 43 93.036 -4.566 -0.215 343 HB3 ARG 43 HB1 ARG 43 91.541 -3.641 -0.107 344 HG2 ARG 43 HG2 ARG 43 92.185 -2.375 -2.129 345 HG3 ARG 43 HG1 ARG 43 93.674 -3.319 -2.239 346 HD2 ARG 43 HD2 ARG 43 92.324 -5.397 -2.397 347 HD3 ARG 43 HD1 ARG 43 90.853 -4.427 -2.352 348 HE ARG 43 HE ARG 43 92.677 -4.720 -4.605 349 HH11 ARG 43 HH11 ARG 43 92.279 -1.817 -4.468 350 HH12 ARG 43 HH12 ARG 43 90.796 -1.562 -5.328 351 HH21 ARG 43 HH21 ARG 43 89.796 -4.876 -5.106 352 HH22 ARG 43 HH22 ARG 43 89.394 -3.299 -5.697 353 H VAL 44 HN VAL 44 91.097 -2.492 1.807 354 HA VAL 44 HA VAL 44 92.518 -3.331 4.234 355 HB VAL 44 HB VAL 44 91.085 -1.812 5.518 356 HG11 VAL 44 HG11 VAL 44 92.649 -0.528 3.264 357 HG12 VAL 44 HG12 VAL 44 93.217 -0.876 4.894 358 HG13 VAL 44 HG13 VAL 44 92.009 0.380 4.630 359 HG21 VAL 44 HG21 VAL 44 90.027 -1.130 2.768 360 HG22 VAL 44 HG22 VAL 44 89.826 -0.045 4.146 361 HG23 VAL 44 HG23 VAL 44 89.120 -1.660 4.185 362 H THR 45 HN THR 45 90.693 -4.159 5.846 363 HA THR 45 HA THR 45 88.434 -5.328 4.364 364 HB THR 45 HB THR 45 89.956 -7.108 6.252 365 HG1 THR 45 HG1 THR 45 90.924 -6.080 3.956 366 HG21 THR 45 HG21 THR 45 87.733 -7.757 5.314 367 HG22 THR 45 HG22 THR 45 89.024 -8.854 4.828 368 HG23 THR 45 HG23 THR 45 88.418 -7.649 3.692 369 H GLY 46 HN GLY 46 86.632 -5.760 5.604 370 HA2 GLY 46 HA2 GLY 46 86.182 -6.069 8.221 371 HA3 GLY 46 HA1 GLY 46 86.503 -4.338 8.152 372 H TYR 47 HN TYR 47 85.010 -2.963 7.219 373 HA TYR 47 HA TYR 47 82.518 -4.159 6.190 374 HB2 TYR 47 HB2 TYR 47 81.584 -1.984 7.643 375 HB3 TYR 47 HB1 TYR 47 81.531 -3.660 8.191 376 HD1 TYR 47 HD1 TYR 47 83.626 -0.582 8.200 377 HD2 TYR 47 HD2 TYR 47 82.837 -4.387 10.026 378 HE1 TYR 47 HE1 TYR 47 85.196 -0.024 10.037 379 HE2 TYR 47 HE2 TYR 47 84.402 -3.831 11.863 380 HH TYR 47 HH TYR 47 86.637 -1.455 11.718 381 HA PRO 48 HA PRO 48 82.670 -1.120 3.055 382 HB2 PRO 48 HB2 PRO 48 79.960 -0.113 3.344 383 HB3 PRO 48 HB1 PRO 48 80.598 -1.217 2.123 384 HG2 PRO 48 HG2 PRO 48 78.907 -1.831 4.347 385 HG3 PRO 48 HG1 PRO 48 79.531 -2.933 3.115 386 HD2 PRO 48 HD2 PRO 48 80.311 -2.783 5.873 387 HD3 PRO 48 HD1 PRO 48 80.978 -3.832 4.607 388 H GLN 49 HN GLN 49 83.228 0.976 2.795 389 HA GLN 49 HA GLN 49 83.584 3.174 3.198 390 HB2 GLN 49 HB2 GLN 49 81.055 3.054 3.787 391 HB3 GLN 49 HB1 GLN 49 81.597 3.147 5.458 392 HG2 GLN 49 HG2 GLN 49 82.303 5.139 3.282 393 HG3 GLN 49 HG1 GLN 49 81.092 5.394 4.536 394 HE21 GLN 49 HE21 GLN 49 84.409 5.818 3.802 395 HE22 GLN 49 HE22 GLN 49 84.953 6.144 5.376 396 HA PRO 50 HA PRO 50 86.119 2.187 6.952 397 HB2 PRO 50 HB2 PRO 50 88.494 2.020 5.276 398 HB3 PRO 50 HB1 PRO 50 87.720 0.721 6.197 399 HG2 PRO 50 HG2 PRO 50 87.787 0.818 3.457 400 HG3 PRO 50 HG1 PRO 50 86.537 -0.029 4.385 401 HD2 PRO 50 HD2 PRO 50 86.417 2.716 3.132 402 HD3 PRO 50 HD1 PRO 50 85.196 1.419 3.123 403 H LYS 51 HN LYS 51 87.903 3.529 7.868 404 HA LYS 51 HA LYS 51 88.274 6.136 6.462 405 HB2 LYS 51 HB2 LYS 51 87.967 5.651 9.442 406 HB3 LYS 51 HB1 LYS 51 88.322 7.205 8.689 407 HG2 LYS 51 HG2 LYS 51 86.203 7.105 7.446 408 HG3 LYS 51 HG1 LYS 51 85.842 5.543 8.186 409 HD2 LYS 51 HD2 LYS 51 85.941 6.626 10.435 410 HD3 LYS 51 HD1 LYS 51 86.177 8.182 9.642 411 HE2 LYS 51 HE2 LYS 51 83.793 6.374 9.151 412 HE3 LYS 51 HE1 LYS 51 83.788 7.736 10.272 413 HZ1 LYS 51 HZ1 LYS 51 84.042 9.254 8.560 414 HZ2 LYS 51 HZ2 LYS 51 82.965 8.120 7.897 415 HZ3 LYS 51 HZ3 LYS 51 84.606 8.092 7.461 416 H VAL 52 HN VAL 52 90.362 5.292 5.615 417 HA VAL 52 HA VAL 52 92.412 5.037 7.751 418 HB VAL 52 HB VAL 52 93.572 3.462 6.341 419 HG11 VAL 52 HG11 VAL 52 92.119 1.626 6.604 420 HG12 VAL 52 HG12 VAL 52 90.684 2.593 6.272 421 HG13 VAL 52 HG13 VAL 52 91.538 2.779 7.806 422 HG21 VAL 52 HG21 VAL 52 93.090 4.289 4.137 423 HG22 VAL 52 HG22 VAL 52 91.357 4.038 4.363 424 HG23 VAL 52 HG23 VAL 52 92.439 2.651 4.234 425 H ASN 53 HN ASN 53 94.555 5.563 7.092 426 HA ASN 53 HA ASN 53 94.828 7.486 4.876 427 HB2 ASN 53 HB2 ASN 53 96.001 9.056 6.323 428 HB3 ASN 53 HB1 ASN 53 94.400 8.751 6.991 429 HD21 ASN 53 HD21 ASN 53 95.984 9.624 8.927 430 HD22 ASN 53 HD22 ASN 53 96.605 8.369 9.888 431 H TRP 54 HN TRP 54 97.214 7.839 4.378 432 HA TRP 54 HA TRP 54 98.971 5.735 5.451 433 HB2 TRP 54 HB2 TRP 54 99.485 5.239 2.860 434 HB3 TRP 54 HB1 TRP 54 98.244 4.360 3.751 435 HD1 TRP 54 HD1 TRP 54 95.930 4.395 2.778 436 HE1 TRP 54 HE1 TRP 54 94.674 5.825 1.047 437 HE3 TRP 54 HE3 TRP 54 99.474 7.945 1.828 438 HZ2 TRP 54 HZ2 TRP 54 95.093 8.183 -0.491 439 HZ3 TRP 54 HZ3 TRP 54 99.021 9.768 0.238 440 HH2 TRP 54 HH2 TRP 54 96.836 9.900 -0.937 441 H TYR 55 HN TYR 55 101.186 5.889 4.469 442 HA TYR 55 HA TYR 55 101.870 8.689 3.780 443 HB2 TYR 55 HB2 TYR 55 103.474 6.894 5.598 444 HB3 TYR 55 HB1 TYR 55 103.731 8.608 5.278 445 HD1 TYR 55 HD1 TYR 55 102.732 10.221 6.666 446 HD2 TYR 55 HD2 TYR 55 101.223 6.207 6.672 447 HE1 TYR 55 HE1 TYR 55 101.311 10.757 8.631 448 HE2 TYR 55 HE2 TYR 55 99.804 6.743 8.627 449 HH TYR 55 HH TYR 55 98.939 8.464 9.861 450 H LEU 56 HN LEU 56 102.821 8.694 1.803 451 HA LEU 56 HA LEU 56 104.216 6.313 0.834 452 HB2 LEU 56 HB2 LEU 56 103.548 8.995 -0.379 453 HB3 LEU 56 HB1 LEU 56 104.630 7.856 -1.175 454 HG LEU 56 HG LEU 56 102.829 6.120 -1.009 455 HD11 LEU 56 HD11 LEU 56 101.425 6.835 0.738 456 HD12 LEU 56 HD12 LEU 56 100.475 7.188 -0.701 457 HD13 LEU 56 HD13 LEU 56 101.334 8.485 0.126 458 HD21 LEU 56 HD21 LEU 56 103.025 7.082 -3.131 459 HD22 LEU 56 HD22 LEU 56 102.517 8.675 -2.573 460 HD23 LEU 56 HD23 LEU 56 101.330 7.391 -2.755 461 H ASN 57 HN ASN 57 106.505 6.124 0.704 462 HA ASN 57 HA ASN 57 108.642 6.537 1.350 463 HB2 ASN 57 HB2 ASN 57 108.149 8.109 -0.654 464 HB3 ASN 57 HB1 ASN 57 108.120 9.396 0.546 465 HD21 ASN 57 HD21 ASN 57 110.174 7.926 -1.604 466 HD22 ASN 57 HD22 ASN 57 111.651 8.197 -0.812 467 H GLY 58 HN GLY 58 106.204 7.528 3.161 468 HA2 GLY 58 HA2 GLY 58 106.383 7.917 5.505 469 HA3 GLY 58 HA1 GLY 58 107.956 8.670 5.243 470 H GLN 59 HN GLN 59 105.331 9.403 3.114 471 HA GLN 59 HA GLN 59 104.941 12.045 4.397 472 HB2 GLN 59 HB2 GLN 59 105.222 11.401 1.452 473 HB3 GLN 59 HB1 GLN 59 104.721 12.968 2.091 474 HG2 GLN 59 HG2 GLN 59 106.830 13.197 3.296 475 HG3 GLN 59 HG1 GLN 59 107.328 11.583 2.795 476 HE21 GLN 59 HE21 GLN 59 108.051 14.680 2.116 477 HE22 GLN 59 HE22 GLN 59 108.337 14.583 0.446 478 H LEU 60 HN LEU 60 102.895 12.350 5.006 479 HA LEU 60 HA LEU 60 100.736 10.632 4.213 480 HB2 LEU 60 HB2 LEU 60 100.972 11.704 6.474 481 HB3 LEU 60 HB1 LEU 60 100.680 13.262 5.721 482 HG LEU 60 HG LEU 60 98.472 12.345 4.894 483 HD11 LEU 60 HD11 LEU 60 98.117 10.126 5.055 484 HD12 LEU 60 HD12 LEU 60 98.003 10.305 6.802 485 HD13 LEU 60 HD13 LEU 60 99.544 9.897 6.060 486 HD21 LEU 60 HD21 LEU 60 97.368 12.630 7.087 487 HD22 LEU 60 HD22 LEU 60 98.652 13.820 6.859 488 HD23 LEU 60 HD23 LEU 60 98.922 12.418 7.895 489 H ILE 61 HN ILE 61 98.924 11.145 3.038 490 HA ILE 61 HA ILE 61 97.689 11.997 1.371 491 HB ILE 61 HB ILE 61 97.074 13.808 2.710 492 HG12 ILE 61 HG12 ILE 61 96.722 15.591 1.076 493 HG13 ILE 61 HG11 ILE 61 97.994 14.934 0.051 494 HG21 ILE 61 HG21 ILE 61 98.341 15.930 2.806 495 HG22 ILE 61 HG22 ILE 61 99.697 15.126 2.038 496 HG23 ILE 61 HG23 ILE 61 99.126 14.592 3.629 497 HD11 ILE 61 HD11 ILE 61 95.490 14.308 -0.438 498 HD12 ILE 61 HD12 ILE 61 95.697 13.172 0.896 499 HD13 ILE 61 HD13 ILE 61 96.721 13.052 -0.536 500 H ARG 62 HN ARG 62 98.011 11.478 -0.501 501 HA ARG 62 HA ARG 62 100.372 12.446 -2.033 502 HB2 ARG 62 HB2 ARG 62 100.357 9.984 -1.653 503 HB3 ARG 62 HB1 ARG 62 98.792 9.890 -2.456 504 HG2 ARG 62 HG2 ARG 62 100.528 9.323 -4.058 505 HG3 ARG 62 HG1 ARG 62 99.837 10.878 -4.510 506 HD2 ARG 62 HD2 ARG 62 102.194 10.986 -2.684 507 HD3 ARG 62 HD1 ARG 62 102.511 10.455 -4.332 508 HE ARG 62 HE ARG 62 101.058 12.644 -4.811 509 HH11 ARG 62 HH11 ARG 62 104.016 12.824 -5.080 510 HH12 ARG 62 HH12 ARG 62 104.432 14.101 -3.988 511 HH21 ARG 62 HH21 ARG 62 101.388 13.998 -2.315 512 HH22 ARG 62 HH22 ARG 62 102.933 14.775 -2.423 513 H LYS 63 HN LYS 63 100.025 13.196 -4.106 514 HA LYS 63 HA LYS 63 97.624 14.565 -4.576 515 HB2 LYS 63 HB2 LYS 63 99.703 13.822 -6.641 516 HB3 LYS 63 HB1 LYS 63 98.567 15.165 -6.718 517 HG2 LYS 63 HG2 LYS 63 100.613 14.908 -4.495 518 HG3 LYS 63 HG1 LYS 63 100.959 15.748 -6.002 519 HD2 LYS 63 HD2 LYS 63 99.206 17.360 -5.599 520 HD3 LYS 63 HD1 LYS 63 98.615 16.463 -4.211 521 HE2 LYS 63 HE2 LYS 63 100.568 16.939 -2.931 522 HE3 LYS 63 HE1 LYS 63 101.415 17.583 -4.338 523 HZ1 LYS 63 HZ1 LYS 63 99.717 18.932 -2.550 524 HZ2 LYS 63 HZ2 LYS 63 99.003 18.960 -4.094 525 HZ3 LYS 63 HZ3 LYS 63 100.576 19.566 -3.869 526 H SER 64 HN SER 64 96.056 14.367 -6.128 527 HA SER 64 HA SER 64 94.998 11.745 -6.429 528 HB2 SER 64 HB2 SER 64 94.002 14.348 -7.588 529 HB3 SER 64 HB1 SER 64 93.073 12.863 -7.391 530 HG SER 64 HG SER 64 93.000 13.166 -5.272 531 H LYS 65 HN LYS 65 93.691 12.655 -8.997 532 HA LYS 65 HA LYS 65 94.058 11.122 -10.900 533 HB2 LYS 65 HB2 LYS 65 94.558 14.057 -11.333 534 HB3 LYS 65 HB1 LYS 65 94.284 12.914 -12.648 535 HG2 LYS 65 HG2 LYS 65 92.128 12.255 -11.600 536 HG3 LYS 65 HG1 LYS 65 92.396 13.457 -10.335 537 HD2 LYS 65 HD2 LYS 65 92.473 15.236 -12.082 538 HD3 LYS 65 HD1 LYS 65 92.109 14.011 -13.305 539 HE2 LYS 65 HE2 LYS 65 89.993 13.478 -12.166 540 HE3 LYS 65 HE1 LYS 65 90.354 14.670 -10.919 541 HZ1 LYS 65 HZ1 LYS 65 90.372 16.389 -12.619 542 HZ2 LYS 65 HZ2 LYS 65 88.877 15.584 -12.581 543 HZ3 LYS 65 HZ3 LYS 65 90.000 15.242 -13.810 544 H ARG 66 HN ARG 66 96.982 13.153 -10.247 545 HA ARG 66 HA ARG 66 98.470 12.103 -12.414 546 HB2 ARG 66 HB2 ARG 66 99.192 14.084 -11.103 547 HB3 ARG 66 HB1 ARG 66 99.530 13.034 -9.727 548 HG2 ARG 66 HG2 ARG 66 101.216 11.821 -11.018 549 HG3 ARG 66 HG1 ARG 66 100.828 12.761 -12.458 550 HD2 ARG 66 HD2 ARG 66 101.491 14.837 -11.226 551 HD3 ARG 66 HD1 ARG 66 101.987 13.826 -9.868 552 HE ARG 66 HE ARG 66 103.800 13.008 -11.174 553 HH11 ARG 66 HH11 ARG 66 105.443 13.719 -12.596 554 HH12 ARG 66 HH12 ARG 66 105.019 14.695 -13.964 555 HH21 ARG 66 HH21 ARG 66 101.667 14.935 -13.081 556 HH22 ARG 66 HH22 ARG 66 102.877 15.397 -14.229 557 H PHE 67 HN PHE 67 98.006 10.987 -9.107 558 HA PHE 67 HA PHE 67 99.216 8.365 -9.831 559 HB2 PHE 67 HB2 PHE 67 99.187 9.818 -7.164 560 HB3 PHE 67 HB1 PHE 67 99.645 8.127 -7.361 561 HD1 PHE 67 HD1 PHE 67 101.542 7.563 -8.973 562 HD2 PHE 67 HD2 PHE 67 100.765 11.553 -7.583 563 HE1 PHE 67 HE1 PHE 67 103.842 8.234 -9.614 564 HE2 PHE 67 HE2 PHE 67 103.070 12.224 -8.227 565 HZ PHE 67 HZ PHE 67 104.604 10.562 -9.244 566 H ARG 68 HN ARG 68 97.916 6.542 -9.423 567 HA ARG 68 HA ARG 68 95.129 6.980 -9.128 568 HB2 ARG 68 HB2 ARG 68 96.787 4.455 -8.925 569 HB3 ARG 68 HB1 ARG 68 95.026 4.478 -8.944 570 HG2 ARG 68 HG2 ARG 68 95.012 5.522 -11.135 571 HG3 ARG 68 HG1 ARG 68 96.771 5.647 -11.122 572 HD2 ARG 68 HD2 ARG 68 96.197 3.706 -12.440 573 HD3 ARG 68 HD1 ARG 68 96.863 3.138 -10.910 574 HE ARG 68 HE ARG 68 94.054 3.362 -10.678 575 HH11 ARG 68 HH11 ARG 68 95.703 1.853 -13.179 576 HH12 ARG 68 HH12 ARG 68 95.132 0.255 -12.844 577 HH21 ARG 68 HH21 ARG 68 93.655 1.141 -9.827 578 HH22 ARG 68 HH22 ARG 68 93.956 -0.150 -10.945 579 H VAL 69 HN VAL 69 94.119 7.528 -7.321 580 HA VAL 69 HA VAL 69 94.656 6.064 -4.866 581 HB VAL 69 HB VAL 69 96.233 8.048 -4.929 582 HG11 VAL 69 HG11 VAL 69 93.728 9.645 -4.378 583 HG12 VAL 69 HG12 VAL 69 94.475 9.567 -5.969 584 HG13 VAL 69 HG13 VAL 69 95.367 10.251 -4.611 585 HG21 VAL 69 HG21 VAL 69 95.542 6.897 -2.854 586 HG22 VAL 69 HG22 VAL 69 94.160 7.986 -2.728 587 HG23 VAL 69 HG23 VAL 69 95.802 8.625 -2.605 588 H ARG 70 HN ARG 70 92.873 5.761 -3.722 589 HA ARG 70 HA ARG 70 90.521 7.497 -4.127 590 HB2 ARG 70 HB2 ARG 70 90.546 4.472 -4.288 591 HB3 ARG 70 HB1 ARG 70 89.089 5.463 -4.194 592 HG2 ARG 70 HG2 ARG 70 89.678 6.594 -6.279 593 HG3 ARG 70 HG1 ARG 70 91.194 5.692 -6.362 594 HD2 ARG 70 HD2 ARG 70 89.522 4.640 -7.805 595 HD3 ARG 70 HD1 ARG 70 89.910 3.573 -6.456 596 HE ARG 70 HE ARG 70 87.689 5.190 -5.757 597 HH11 ARG 70 HH11 ARG 70 88.652 2.120 -6.684 598 HH12 ARG 70 HH12 ARG 70 87.101 1.586 -7.239 599 HH21 ARG 70 HH21 ARG 70 85.615 4.701 -6.929 600 HH22 ARG 70 HH22 ARG 70 85.373 3.033 -7.335 601 H TYR 71 HN TYR 71 90.541 8.368 -2.136 602 HA TYR 71 HA TYR 71 91.232 6.914 0.207 603 HB2 TYR 71 HB2 TYR 71 91.334 9.444 -0.285 604 HB3 TYR 71 HB1 TYR 71 89.619 9.461 0.109 605 HD1 TYR 71 HD1 TYR 71 92.959 9.511 1.408 606 HD2 TYR 71 HD2 TYR 71 88.900 8.495 2.400 607 HE1 TYR 71 HE1 TYR 71 93.516 9.615 3.820 608 HE2 TYR 71 HE2 TYR 71 89.462 8.599 4.810 609 HH TYR 71 HH TYR 71 91.673 8.314 6.198 610 H ASP 72 HN ASP 72 89.892 5.066 0.211 611 HA ASP 72 HA ASP 72 87.520 5.257 1.715 612 HB2 ASP 72 HB2 ASP 72 85.913 4.393 0.044 613 HB3 ASP 72 HB1 ASP 72 86.491 6.004 -0.384 614 H GLY 73 HN GLY 73 90.102 3.847 1.474 615 HA2 GLY 73 HA2 GLY 73 90.405 1.681 2.551 616 HA3 GLY 73 HA1 GLY 73 89.116 1.045 1.539 617 H ILE 74 HN ILE 74 90.288 2.684 -0.762 618 HA ILE 74 HA ILE 74 92.397 0.736 -1.518 619 HB ILE 74 HB ILE 74 90.494 2.363 -3.212 620 HG12 ILE 74 HG12 ILE 74 90.768 -0.636 -2.895 621 HG13 ILE 74 HG11 ILE 74 89.624 0.331 -1.959 622 HG21 ILE 74 HG21 ILE 74 92.848 0.605 -3.896 623 HG22 ILE 74 HG22 ILE 74 92.476 2.223 -4.487 624 HG23 ILE 74 HG23 ILE 74 91.526 0.842 -5.039 625 HD11 ILE 74 HD11 ILE 74 88.585 1.131 -4.033 626 HD12 ILE 74 HD12 ILE 74 88.563 -0.632 -3.979 627 HD13 ILE 74 HD13 ILE 74 89.746 0.205 -4.982 628 H HIS 75 HN HIS 75 94.390 1.435 -1.705 629 HA HIS 75 HA HIS 75 94.919 4.192 -2.618 630 HB2 HIS 75 HB2 HIS 75 96.920 3.429 -0.656 631 HB3 HIS 75 HB1 HIS 75 95.844 4.818 -0.645 632 HD1 HIS 75 HD1 HIS 75 96.245 1.371 0.732 633 HD2 HIS 75 HD2 HIS 75 93.438 4.440 0.903 634 HE1 HIS 75 HE1 HIS 75 94.570 0.702 2.510 635 H TYR 76 HN TYR 76 95.850 3.797 -4.571 636 HA TYR 76 HA TYR 76 97.816 1.599 -4.813 637 HB2 TYR 76 HB2 TYR 76 96.099 3.140 -6.720 638 HB3 TYR 76 HB1 TYR 76 97.616 2.494 -7.337 639 HD1 TYR 76 HD1 TYR 76 95.084 1.202 -4.868 640 HD2 TYR 76 HD2 TYR 76 97.207 0.542 -8.546 641 HE1 TYR 76 HE1 TYR 76 94.010 -1.023 -5.098 642 HE2 TYR 76 HE2 TYR 76 96.134 -1.675 -8.770 643 HH TYR 76 HH TYR 76 95.060 -3.399 -6.959 644 H LEU 77 HN LEU 77 99.905 1.988 -4.746 645 HA LEU 77 HA LEU 77 100.904 4.746 -5.113 646 HB2 LEU 77 HB2 LEU 77 102.616 2.536 -4.017 647 HB3 LEU 77 HB1 LEU 77 102.650 4.260 -3.666 648 HG LEU 77 HG LEU 77 100.504 2.314 -2.745 649 HD11 LEU 77 HD11 LEU 77 102.783 3.716 -1.313 650 HD12 LEU 77 HD12 LEU 77 102.593 1.977 -1.535 651 HD13 LEU 77 HD13 LEU 77 101.479 2.862 -0.492 652 HD21 LEU 77 HD21 LEU 77 100.955 5.242 -2.138 653 HD22 LEU 77 HD22 LEU 77 99.720 4.232 -1.403 654 HD23 LEU 77 HD23 LEU 77 99.646 4.603 -3.125 655 H ASP 78 HN ASP 78 101.167 4.859 -7.375 656 HA ASP 78 HA ASP 78 102.817 2.727 -8.626 657 HB2 ASP 78 HB2 ASP 78 100.799 4.629 -9.799 658 HB3 ASP 78 HB1 ASP 78 101.864 3.621 -10.774 659 H ILE 79 HN ILE 79 104.604 3.153 -9.761 660 HA ILE 79 HA ILE 79 105.622 5.943 -9.789 661 HB ILE 79 HB ILE 79 107.176 3.354 -9.968 662 HG12 ILE 79 HG12 ILE 79 107.088 5.367 -7.704 663 HG13 ILE 79 HG11 ILE 79 106.215 3.838 -7.688 664 HG21 ILE 79 HG21 ILE 79 107.960 6.268 -9.987 665 HG22 ILE 79 HG22 ILE 79 108.345 5.026 -11.181 666 HG23 ILE 79 HG23 ILE 79 109.106 4.987 -9.601 667 HD11 ILE 79 HD11 ILE 79 108.766 2.996 -8.342 668 HD12 ILE 79 HD12 ILE 79 108.105 3.017 -6.707 669 HD13 ILE 79 HD13 ILE 79 109.093 4.361 -7.271 670 H VAL 80 HN VAL 80 106.905 6.499 -11.722 671 HA VAL 80 HA VAL 80 106.184 4.954 -14.146 672 HB VAL 80 HB VAL 80 105.777 7.111 -15.298 673 HG11 VAL 80 HG11 VAL 80 103.588 7.517 -14.374 674 HG12 VAL 80 HG12 VAL 80 104.083 6.923 -12.790 675 HG13 VAL 80 HG13 VAL 80 103.922 5.802 -14.141 676 HG21 VAL 80 HG21 VAL 80 106.131 8.231 -12.499 677 HG22 VAL 80 HG22 VAL 80 105.509 9.147 -13.869 678 HG23 VAL 80 HG23 VAL 80 107.166 8.549 -13.888 679 H ASP 81 HN ASP 81 107.639 5.718 -16.022 680 HA ASP 81 HA ASP 81 110.357 5.445 -15.281 681 HB2 ASP 81 HB2 ASP 81 108.992 6.317 -17.834 682 HB3 ASP 81 HB1 ASP 81 110.745 6.174 -17.706 683 H CYS 82 HN CYS 82 110.111 7.232 -13.582 684 HA CYS 82 HA CYS 82 111.799 9.307 -14.002 685 HB2 CYS 82 HB2 CYS 82 109.145 9.906 -15.170 686 HB3 CYS 82 HB1 CYS 82 109.785 11.174 -14.129 687 HG CYS 82 HG CYS 82 111.078 10.224 -16.788 688 H LYS 83 HN LYS 83 112.264 10.158 -12.089 689 HA LYS 83 HA LYS 83 112.149 10.773 -9.899 690 HB2 LYS 83 HB2 LYS 83 109.141 10.631 -10.168 691 HB3 LYS 83 HB1 LYS 83 110.073 11.538 -8.980 692 HG2 LYS 83 HG2 LYS 83 111.058 12.897 -10.807 693 HG3 LYS 83 HG1 LYS 83 110.067 12.020 -11.971 694 HD2 LYS 83 HD2 LYS 83 108.024 12.771 -10.783 695 HD3 LYS 83 HD1 LYS 83 109.028 13.685 -9.659 696 HE2 LYS 83 HE2 LYS 83 109.890 15.051 -11.509 697 HE3 LYS 83 HE1 LYS 83 108.931 14.119 -12.660 698 HZ1 LYS 83 HZ1 LYS 83 107.833 15.702 -10.400 699 HZ2 LYS 83 HZ2 LYS 83 106.926 14.838 -11.549 700 HZ3 LYS 83 HZ3 LYS 83 107.836 16.193 -12.025 701 H SER 84 HN SER 84 112.876 8.284 -10.005 702 HA SER 84 HA SER 84 111.204 6.883 -8.015 703 HB2 SER 84 HB2 SER 84 112.863 5.342 -9.974 704 HB3 SER 84 HB1 SER 84 111.370 4.880 -9.162 705 HG SER 84 HG SER 84 111.247 5.471 -11.480 706 H TYR 85 HN TYR 85 114.425 7.480 -9.335 707 HA TYR 85 HA TYR 85 116.063 6.001 -7.686 708 HB2 TYR 85 HB2 TYR 85 117.827 7.348 -8.419 709 HB3 TYR 85 HB1 TYR 85 116.639 7.449 -9.712 710 HD1 TYR 85 HD1 TYR 85 118.958 9.399 -8.329 711 HD2 TYR 85 HD2 TYR 85 114.675 9.407 -8.729 712 HE1 TYR 85 HE1 TYR 85 118.927 11.861 -8.061 713 HE2 TYR 85 HE2 TYR 85 114.654 11.864 -8.460 714 HH TYR 85 HH TYR 85 117.224 13.597 -7.259 715 H ASP 86 HN ASP 86 114.439 6.406 -5.649 716 HA ASP 86 HA ASP 86 116.048 7.932 -3.790 717 HB2 ASP 86 HB2 ASP 86 114.244 9.372 -3.027 718 HB3 ASP 86 HB1 ASP 86 114.519 9.633 -4.749 719 H THR 87 HN THR 87 116.321 6.464 -2.219 720 HA THR 87 HA THR 87 114.337 4.440 -1.721 721 HB THR 87 HB THR 87 115.895 3.607 -0.022 722 HG1 THR 87 HG1 THR 87 116.691 5.423 0.864 723 HG21 THR 87 HG21 THR 87 117.599 4.493 -2.350 724 HG22 THR 87 HG22 THR 87 116.318 3.301 -2.570 725 HG23 THR 87 HG23 THR 87 117.653 2.973 -1.463 726 H GLY 88 HN GLY 88 112.680 4.498 -0.201 727 HA2 GLY 88 HA2 GLY 88 112.973 6.318 2.093 728 HA3 GLY 88 HA1 GLY 88 111.610 6.572 1.008 729 H GLU 89 HN GLU 89 110.077 6.058 2.663 730 HA GLU 89 HA GLU 89 109.793 3.150 3.053 731 HB2 GLU 89 HB2 GLU 89 109.452 3.417 5.456 732 HB3 GLU 89 HB1 GLU 89 111.065 3.962 4.986 733 HG2 GLU 89 HG2 GLU 89 110.185 6.301 4.872 734 HG3 GLU 89 HG1 GLU 89 108.642 5.717 5.495 735 H VAL 90 HN VAL 90 107.743 2.410 3.278 736 HA VAL 90 HA VAL 90 105.556 4.403 3.181 737 HB VAL 90 HB VAL 90 105.827 1.700 1.843 738 HG11 VAL 90 HG11 VAL 90 103.532 2.297 0.911 739 HG12 VAL 90 HG12 VAL 90 103.439 3.524 2.177 740 HG13 VAL 90 HG13 VAL 90 103.567 1.816 2.608 741 HG21 VAL 90 HG21 VAL 90 105.718 4.555 0.888 742 HG22 VAL 90 HG22 VAL 90 105.272 3.242 -0.184 743 HG23 VAL 90 HG23 VAL 90 106.901 3.318 0.490 744 H LYS 91 HN LYS 91 103.932 4.140 4.597 745 HA LYS 91 HA LYS 91 103.795 1.720 6.272 746 HB2 LYS 91 HB2 LYS 91 105.170 3.365 7.488 747 HB3 LYS 91 HB1 LYS 91 103.915 4.583 7.273 748 HG2 LYS 91 HG2 LYS 91 102.349 3.223 8.589 749 HG3 LYS 91 HG1 LYS 91 103.576 1.977 8.782 750 HD2 LYS 91 HD2 LYS 91 105.037 3.600 9.932 751 HD3 LYS 91 HD1 LYS 91 103.793 4.837 9.754 752 HE2 LYS 91 HE2 LYS 91 102.227 3.414 11.057 753 HE3 LYS 91 HE1 LYS 91 103.519 2.238 11.288 754 HZ1 LYS 91 HZ1 LYS 91 103.188 4.893 12.463 755 HZ2 LYS 91 HZ2 LYS 91 104.772 4.376 12.130 756 HZ3 LYS 91 HZ3 LYS 91 103.776 3.464 13.165 757 H VAL 92 HN VAL 92 101.754 1.044 6.382 758 HA VAL 92 HA VAL 92 99.592 2.902 5.588 759 HB VAL 92 HB VAL 92 99.699 -0.115 5.660 760 HG11 VAL 92 HG11 VAL 92 97.608 1.851 4.686 761 HG12 VAL 92 HG12 VAL 92 97.427 0.661 5.974 762 HG13 VAL 92 HG13 VAL 92 97.588 0.131 4.301 763 HG21 VAL 92 HG21 VAL 92 99.841 1.860 3.367 764 HG22 VAL 92 HG22 VAL 92 99.746 0.107 3.186 765 HG23 VAL 92 HG23 VAL 92 101.161 0.843 3.939 766 H THR 93 HN THR 93 98.434 3.701 7.192 767 HA THR 93 HA THR 93 97.978 2.071 9.639 768 HB THR 93 HB THR 93 97.714 4.220 10.821 769 HG1 THR 93 HG1 THR 93 97.494 5.957 9.690 770 HG21 THR 93 HG21 THR 93 100.275 3.996 9.234 771 HG22 THR 93 HG22 THR 93 99.912 3.111 10.712 772 HG23 THR 93 HG23 THR 93 100.089 4.865 10.755 773 H ALA 94 HN ALA 94 95.910 1.515 10.014 774 HA ALA 94 HA ALA 94 93.791 2.936 8.520 775 HB1 ALA 94 HB1 ALA 94 94.031 0.651 7.761 776 HB2 ALA 94 HB2 ALA 94 92.542 0.785 8.698 777 HB3 ALA 94 HB3 ALA 94 93.975 0.061 9.421 778 H GLU 95 HN GLU 95 91.777 3.205 9.522 779 HA GLU 95 HA GLU 95 91.714 2.940 12.459 780 HB2 GLU 95 HB2 GLU 95 92.436 5.225 11.933 781 HB3 GLU 95 HB1 GLU 95 91.025 5.444 10.910 782 HG2 GLU 95 HG2 GLU 95 89.542 5.088 12.840 783 HG3 GLU 95 HG1 GLU 95 90.947 4.836 13.876 784 H ASN 96 HN ASN 96 89.622 2.751 13.333 785 HA ASN 96 HA ASN 96 87.331 2.728 11.589 786 HB2 ASN 96 HB2 ASN 96 87.968 0.156 13.019 787 HB3 ASN 96 HB1 ASN 96 86.842 0.433 11.696 788 HD21 ASN 96 HD21 ASN 96 87.684 0.499 9.517 789 HD22 ASN 96 HD22 ASN 96 89.286 0.063 9.169 790 HA PRO 97 HA PRO 97 85.499 3.950 15.386 791 HB2 PRO 97 HB2 PRO 97 83.022 2.473 15.187 792 HB3 PRO 97 HB1 PRO 97 83.306 4.180 14.833 793 HG2 PRO 97 HG2 PRO 97 82.853 2.047 12.977 794 HG3 PRO 97 HG1 PRO 97 83.112 3.763 12.632 795 HD2 PRO 97 HD2 PRO 97 84.938 1.574 12.185 796 HD3 PRO 97 HD1 PRO 97 85.183 3.294 11.828 797 H GLU 98 HN GLU 98 85.536 0.495 14.669 798 HA GLU 98 HA GLU 98 85.593 -0.089 17.588 799 HB2 GLU 98 HB2 GLU 98 83.688 -0.987 16.046 800 HB3 GLU 98 HB1 GLU 98 84.904 -2.130 15.490 801 HG2 GLU 98 HG2 GLU 98 83.756 -3.206 17.289 802 HG3 GLU 98 HG1 GLU 98 85.307 -2.703 17.942 803 H GLY 99 HN GLY 99 87.748 0.168 15.052 804 HA2 GLY 99 HA2 GLY 99 89.610 -1.625 16.395 805 HA3 GLY 99 HA1 GLY 99 89.198 -2.067 14.748 806 H VAL 100 HN VAL 100 91.745 -1.343 15.825 807 HA VAL 100 HA VAL 100 92.456 0.809 13.950 808 HB VAL 100 HB VAL 100 93.394 0.700 16.835 809 HG11 VAL 100 HG11 VAL 100 94.538 2.841 16.190 810 HG12 VAL 100 HG12 VAL 100 94.095 2.519 14.516 811 HG13 VAL 100 HG13 VAL 100 95.184 1.424 15.363 812 HG21 VAL 100 HG21 VAL 100 92.280 2.950 16.942 813 HG22 VAL 100 HG22 VAL 100 91.142 1.629 16.680 814 HG23 VAL 100 HG23 VAL 100 91.623 2.658 15.331 815 H ILE 101 HN ILE 101 94.381 0.393 12.865 816 HA ILE 101 HA ILE 101 96.091 -1.789 13.864 817 HB ILE 101 HB ILE 101 95.260 -1.780 10.968 818 HG12 ILE 101 HG12 ILE 101 93.863 -3.178 13.278 819 HG13 ILE 101 HG11 ILE 101 93.175 -1.909 12.272 820 HG21 ILE 101 HG21 ILE 101 95.907 -4.164 11.164 821 HG22 ILE 101 HG22 ILE 101 96.248 -3.930 12.878 822 HG23 ILE 101 HG23 ILE 101 97.225 -3.110 11.666 823 HD11 ILE 101 HD11 ILE 101 92.495 -3.426 10.758 824 HD12 ILE 101 HD12 ILE 101 93.094 -4.704 11.808 825 HD13 ILE 101 HD13 ILE 101 94.137 -4.038 10.553 826 H GLU 102 HN GLU 102 98.196 -1.868 12.942 827 HA GLU 102 HA GLU 102 99.009 0.412 11.272 828 HB2 GLU 102 HB2 GLU 102 99.338 1.254 13.524 829 HB3 GLU 102 HB1 GLU 102 100.190 -0.218 13.992 830 HG2 GLU 102 HG2 GLU 102 101.193 1.400 11.652 831 HG3 GLU 102 HG1 GLU 102 101.572 1.918 13.290 832 H HIS 103 HN HIS 103 100.382 -0.214 9.751 833 HA HIS 103 HA HIS 103 102.072 -2.620 10.141 834 HB2 HIS 103 HB2 HIS 103 100.166 -1.965 7.908 835 HB3 HIS 103 HB1 HIS 103 101.649 -2.826 7.512 836 HD1 HIS 103 HD1 HIS 103 100.946 -5.196 7.197 837 HD2 HIS 103 HD2 HIS 103 99.224 -3.532 10.602 838 HE1 HIS 103 HE1 HIS 103 99.625 -7.049 8.310 839 H LYS 104 HN LYS 104 104.176 -2.201 9.721 840 HA LYS 104 HA LYS 104 104.852 0.200 8.103 841 HB2 LYS 104 HB2 LYS 104 106.846 0.456 9.419 842 HB3 LYS 104 HB1 LYS 104 105.495 0.293 10.539 843 HG2 LYS 104 HG2 LYS 104 106.029 -2.165 10.713 844 HG3 LYS 104 HG1 LYS 104 107.469 -1.868 9.744 845 HD2 LYS 104 HD2 LYS 104 108.271 -0.246 11.432 846 HD3 LYS 104 HD1 LYS 104 106.856 -0.599 12.425 847 HE2 LYS 104 HE2 LYS 104 108.910 -2.657 11.550 848 HE3 LYS 104 HE1 LYS 104 108.867 -1.892 13.138 849 HZ1 LYS 104 HZ1 LYS 104 107.564 -4.169 12.430 850 HZ2 LYS 104 HZ2 LYS 104 106.338 -2.993 12.374 851 HZ3 LYS 104 HZ3 LYS 104 107.232 -3.225 13.800 852 H VAL 105 HN VAL 105 106.035 -0.046 6.347 853 HA VAL 105 HA VAL 105 107.522 -2.568 5.922 854 HB VAL 105 HB VAL 105 106.759 -2.639 3.587 855 HG11 VAL 105 HG11 VAL 105 104.292 -2.454 5.319 856 HG12 VAL 105 HG12 VAL 105 105.477 -3.743 5.531 857 HG13 VAL 105 HG13 VAL 105 104.628 -3.572 3.997 858 HG21 VAL 105 HG21 VAL 105 105.004 -1.203 2.761 859 HG22 VAL 105 HG22 VAL 105 106.264 -0.155 3.409 860 HG23 VAL 105 HG23 VAL 105 104.796 -0.456 4.340 861 H LYS 106 HN LYS 106 109.202 -2.360 4.293 862 HA LYS 106 HA LYS 106 110.204 0.425 4.059 863 HB2 LYS 106 HB2 LYS 106 111.674 -2.186 4.422 864 HB3 LYS 106 HB1 LYS 106 112.472 -0.696 3.920 865 HG2 LYS 106 HG2 LYS 106 111.619 0.433 5.959 866 HG3 LYS 106 HG1 LYS 106 110.878 -1.088 6.470 867 HD2 LYS 106 HD2 LYS 106 113.044 -2.175 6.583 868 HD3 LYS 106 HD1 LYS 106 113.835 -0.753 5.903 869 HE2 LYS 106 HE2 LYS 106 114.210 -0.577 8.233 870 HE3 LYS 106 HE1 LYS 106 112.877 0.533 7.918 871 HZ1 LYS 106 HZ1 LYS 106 111.444 -1.553 8.417 872 HZ2 LYS 106 HZ2 LYS 106 112.097 -0.650 9.702 873 HZ3 LYS 106 HZ3 LYS 106 112.835 -2.103 9.218 874 H LEU 107 HN LEU 107 110.254 1.211 2.116 875 HA LEU 107 HA LEU 107 110.519 -0.605 -0.224 876 HB2 LEU 107 HB2 LEU 107 108.766 1.811 0.228 877 HB3 LEU 107 HB1 LEU 107 109.237 1.327 -1.399 878 HG LEU 107 HG LEU 107 108.321 -0.938 -0.958 879 HD11 LEU 107 HD11 LEU 107 107.965 0.200 1.756 880 HD12 LEU 107 HD12 LEU 107 108.118 -1.479 1.245 881 HD13 LEU 107 HD13 LEU 107 106.561 -0.669 1.142 882 HD21 LEU 107 HD21 LEU 107 106.233 1.158 -0.391 883 HD22 LEU 107 HD22 LEU 107 106.049 -0.324 -1.323 884 HD23 LEU 107 HD23 LEU 107 107.003 1.014 -1.968 885 H GLU 108 HN GLU 108 112.340 -0.220 -1.373 886 HA GLU 108 HA GLU 108 113.381 2.525 -1.399 887 HB2 GLU 108 HB2 GLU 108 115.685 1.601 -1.149 888 HB3 GLU 108 HB1 GLU 108 114.689 1.405 0.291 889 HG2 GLU 108 HG2 GLU 108 114.176 -0.918 -0.416 890 HG3 GLU 108 HG1 GLU 108 115.231 -0.704 -1.816 891 H ILE 109 HN ILE 109 114.102 3.230 -3.332 892 HA ILE 109 HA ILE 109 114.291 1.201 -5.497 893 HB ILE 109 HB ILE 109 112.496 2.374 -6.301 894 HG12 ILE 109 HG12 ILE 109 113.083 4.197 -7.793 895 HG13 ILE 109 HG11 ILE 109 114.599 4.450 -6.957 896 HG21 ILE 109 HG21 ILE 109 111.913 4.644 -5.671 897 HG22 ILE 109 HG22 ILE 109 113.464 4.831 -4.871 898 HG23 ILE 109 HG23 ILE 109 112.275 3.702 -4.232 899 HD11 ILE 109 HD11 ILE 109 114.741 1.794 -7.709 900 HD12 ILE 109 HD12 ILE 109 115.484 3.135 -8.555 901 HD13 ILE 109 HD13 ILE 109 113.911 2.545 -9.062 902 H GLN 110 HN GLN 110 116.238 0.815 -5.991 903 HA GLN 110 HA GLN 110 118.449 2.564 -5.396 904 HB2 GLN 110 HB2 GLN 110 118.367 -0.049 -6.930 905 HB3 GLN 110 HB1 GLN 110 119.809 0.740 -6.291 906 HG2 GLN 110 HG2 GLN 110 117.475 -0.114 -4.581 907 HG3 GLN 110 HG1 GLN 110 118.922 -1.088 -4.825 908 HE21 GLN 110 HE21 GLN 110 117.755 0.559 -2.422 909 HE22 GLN 110 HE22 GLN 110 119.112 1.411 -1.868 910 H GLN 111 HN GLN 111 119.642 1.224 -8.010 911 HA GLN 111 HA GLN 111 118.606 3.041 -10.028 912 HB2 GLN 111 HB2 GLN 111 120.980 3.812 -10.541 913 HB3 GLN 111 HB1 GLN 111 120.233 4.504 -9.102 914 HG2 GLN 111 HG2 GLN 111 121.380 2.778 -7.711 915 HG3 GLN 111 HG1 GLN 111 122.177 2.175 -9.160 916 HE21 GLN 111 HE21 GLN 111 124.115 2.904 -7.587 917 HE22 GLN 111 HE22 GLN 111 124.676 4.487 -7.832 918 H LEU 112 HN LEU 112 119.329 2.547 -12.178 919 HA LEU 112 HA LEU 112 119.451 -0.175 -12.772 920 HB2 LEU 112 HB2 LEU 112 118.828 1.534 -14.418 921 HB3 LEU 112 HB1 LEU 112 120.468 2.175 -14.392 922 HG LEU 112 HG LEU 112 121.338 0.079 -15.297 923 HD11 LEU 112 HD11 LEU 112 119.409 -1.536 -16.168 924 HD12 LEU 112 HD12 LEU 112 118.514 -0.844 -14.815 925 HD13 LEU 112 HD13 LEU 112 120.034 -1.690 -14.528 926 HD21 LEU 112 HD21 LEU 112 120.449 1.882 -16.791 927 HD22 LEU 112 HD22 LEU 112 118.917 1.016 -16.863 928 HD23 LEU 112 HD23 LEU 112 120.374 0.282 -17.526 929 H GLU 113 HN GLU 113 121.011 -1.633 -12.570 930 HA GLU 113 HA GLU 113 123.538 -1.053 -11.470 931 HB2 GLU 113 HB2 GLU 113 122.551 -3.504 -12.955 932 HB3 GLU 113 HB1 GLU 113 124.080 -3.425 -12.081 933 HG2 GLU 113 HG2 GLU 113 121.358 -2.912 -10.847 934 HG3 GLU 113 HG1 GLU 113 122.244 -4.431 -10.721 935 H HIS 114 HN HIS 114 125.575 -0.918 -12.327 936 HA HIS 114 HA HIS 114 125.744 -0.234 -15.188 937 HB2 HIS 114 HB2 HIS 114 127.565 0.244 -12.824 938 HB3 HIS 114 HB1 HIS 114 128.101 0.512 -14.481 939 HD1 HIS 114 HD1 HIS 114 126.704 2.303 -11.769 940 HD2 HIS 114 HD2 HIS 114 125.986 2.302 -15.871 941 HE1 HIS 114 HE1 HIS 114 125.454 4.444 -12.274 942 H HIS 115 HN HIS 115 126.996 -1.341 -16.609 943 HA HIS 115 HA HIS 115 127.443 -4.077 -16.211 944 HB2 HIS 115 HB2 HIS 115 128.749 -2.261 -18.245 945 HB3 HIS 115 HB1 HIS 115 128.609 -4.014 -18.349 946 HD1 HIS 115 HD1 HIS 115 127.289 -2.535 -20.602 947 HD2 HIS 115 HD2 HIS 115 125.303 -3.313 -17.018 948 HE1 HIS 115 HE1 HIS 115 124.814 -2.393 -21.110 949 H HIS 116 HN HIS 116 129.169 -5.297 -15.669 950 HA HIS 116 HA HIS 116 131.786 -4.057 -15.218 951 HB2 HIS 116 HB2 HIS 116 131.915 -4.869 -12.913 952 HB3 HIS 116 HB1 HIS 116 130.571 -3.741 -13.100 953 HD1 HIS 116 HD1 HIS 116 128.145 -4.902 -13.457 954 HD2 HIS 116 HD2 HIS 116 131.155 -7.385 -11.989 955 HE1 HIS 116 HE1 HIS 116 126.986 -6.935 -12.485 956 H HIS 117 HN HIS 117 129.830 -7.036 -14.919 957 HA HIS 117 HA HIS 117 131.878 -8.531 -16.356 958 HB2 HIS 117 HB2 HIS 117 132.646 -8.619 -13.997 959 HB3 HIS 117 HB1 HIS 117 131.100 -9.318 -13.533 960 HD1 HIS 117 HD1 HIS 117 130.634 -11.767 -14.214 961 HD2 HIS 117 HD2 HIS 117 134.374 -10.388 -15.431 962 HE1 HIS 117 HE1 HIS 117 131.943 -13.804 -14.949 963 H HIS 118 HN HIS 118 129.029 -9.027 -14.260 964 HA HIS 118 HA HIS 118 127.981 -11.080 -16.048 965 HB2 HIS 118 HB2 HIS 118 127.805 -11.414 -13.635 966 HB3 HIS 118 HB1 HIS 118 126.938 -9.891 -13.467 967 HD1 HIS 118 HD1 HIS 118 126.502 -13.205 -15.347 968 HD2 HIS 118 HD2 HIS 118 124.214 -10.197 -13.586 969 HE1 HIS 118 HE1 HIS 118 124.084 -13.945 -15.523 970 H HIS 119 HN HIS 119 126.614 -10.679 -17.654 971 HA HIS 119 HA HIS 119 124.731 -8.430 -17.499 972 HB2 HIS 119 HB2 HIS 119 126.785 -7.554 -18.600 973 HB3 HIS 119 HB1 HIS 119 126.633 -8.811 -19.826 974 HD1 HIS 119 HD1 HIS 119 124.797 -8.564 -21.583 975 HD2 HIS 119 HD2 HIS 119 124.761 -5.517 -18.740 976 HE1 HIS 119 HE1 HIS 119 123.180 -6.810 -22.433 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 64.511 -34.869 -11.877 2 H2 ARG 1 HT2 ARG 1 64.954 -34.827 -13.517 3 H3 ARG 1 HT3 ARG 1 63.442 -35.446 -13.058 4 HA ARG 1 HA ARG 1 62.933 -33.336 -13.846 5 HB2 ARG 1 HB2 ARG 1 63.349 -33.195 -10.843 6 HB3 ARG 1 HB1 ARG 1 62.396 -32.034 -11.765 7 HG2 ARG 1 HG2 ARG 1 60.920 -33.859 -12.539 8 HG3 ARG 1 HG1 ARG 1 61.869 -35.017 -11.608 9 HD2 ARG 1 HD2 ARG 1 61.305 -33.817 -9.528 10 HD3 ARG 1 HD1 ARG 1 60.361 -32.652 -10.452 11 HE ARG 1 HE ARG 1 59.367 -35.190 -11.071 12 HH11 ARG 1 HH11 ARG 1 57.258 -33.572 -10.277 13 HH12 ARG 1 HH12 ARG 1 56.913 -33.967 -8.626 14 HH21 ARG 1 HH21 ARG 1 59.967 -35.509 -8.076 15 HH22 ARG 1 HH22 ARG 1 58.450 -35.059 -7.380 16 H MET 2 HN MET 2 63.426 -31.012 -13.927 17 HA MET 2 HA MET 2 66.284 -30.569 -14.146 18 HB2 MET 2 HB2 MET 2 63.877 -28.843 -14.749 19 HB3 MET 2 HB1 MET 2 65.542 -28.303 -14.978 20 HG2 MET 2 HG2 MET 2 65.948 -30.222 -16.487 21 HG3 MET 2 HG1 MET 2 64.274 -30.731 -16.277 22 HE1 MET 2 HE1 MET 2 65.261 -30.607 -18.875 23 HE2 MET 2 HE2 MET 2 64.415 -29.451 -19.899 24 HE3 MET 2 HE3 MET 2 63.492 -30.549 -18.881 25 H ALA 3 HN ALA 3 67.528 -29.205 -12.928 26 HA ALA 3 HA ALA 3 66.310 -27.625 -10.785 27 HB1 ALA 3 HB1 ALA 3 67.588 -28.635 -9.024 28 HB2 ALA 3 HB2 ALA 3 68.458 -29.661 -10.162 29 HB3 ALA 3 HB3 ALA 3 66.740 -29.934 -9.862 30 H HIS 4 HN HIS 4 67.912 -26.213 -9.728 31 HA HIS 4 HA HIS 4 69.467 -24.821 -11.584 32 HB2 HIS 4 HB2 HIS 4 69.667 -24.879 -8.564 33 HB3 HIS 4 HB1 HIS 4 70.438 -23.678 -9.601 34 HD1 HIS 4 HD1 HIS 4 67.171 -24.629 -8.123 35 HD2 HIS 4 HD2 HIS 4 68.556 -21.966 -11.016 36 HE1 HIS 4 HE1 HIS 4 65.265 -23.028 -8.596 37 H GLU 5 HN GLU 5 71.612 -24.796 -12.099 38 HA GLU 5 HA GLU 5 73.036 -27.238 -11.955 39 HB2 GLU 5 HB2 GLU 5 73.885 -24.446 -12.754 40 HB3 GLU 5 HB1 GLU 5 74.946 -25.847 -12.877 41 HG2 GLU 5 HG2 GLU 5 74.001 -25.742 -15.024 42 HG3 GLU 5 HG1 GLU 5 72.976 -26.927 -14.223 43 H GLY 6 HN GLY 6 73.369 -24.191 -10.145 44 HA2 GLY 6 HA2 GLY 6 74.521 -25.546 -7.901 45 HA3 GLY 6 HA1 GLY 6 75.742 -24.654 -8.805 46 H ALA 7 HN ALA 7 73.520 -22.686 -9.566 47 HA ALA 7 HA ALA 7 74.077 -20.735 -7.603 48 HB1 ALA 7 HB1 ALA 7 72.147 -19.502 -8.678 49 HB2 ALA 7 HB2 ALA 7 71.903 -20.923 -9.695 50 HB3 ALA 7 HB3 ALA 7 73.413 -20.018 -9.792 51 H LEU 8 HN LEU 8 72.993 -20.062 -5.798 52 HA LEU 8 HA LEU 8 70.877 -21.845 -4.785 53 HB2 LEU 8 HB2 LEU 8 72.524 -19.731 -3.371 54 HB3 LEU 8 HB1 LEU 8 71.346 -20.793 -2.603 55 HG LEU 8 HG LEU 8 73.838 -21.718 -4.073 56 HD11 LEU 8 HD11 LEU 8 74.394 -20.611 -1.966 57 HD12 LEU 8 HD12 LEU 8 74.608 -22.351 -1.790 58 HD13 LEU 8 HD13 LEU 8 73.180 -21.567 -1.114 59 HD21 LEU 8 HD21 LEU 8 71.527 -23.142 -2.755 60 HD22 LEU 8 HD22 LEU 8 73.126 -23.883 -2.722 61 HD23 LEU 8 HD23 LEU 8 72.358 -23.524 -4.265 62 H THR 9 HN THR 9 68.827 -21.227 -4.597 63 HA THR 9 HA THR 9 68.013 -18.635 -5.594 64 HB THR 9 HB THR 9 66.474 -21.009 -4.516 65 HG1 THR 9 HG1 THR 9 65.954 -21.255 -6.672 66 HG21 THR 9 HG21 THR 9 65.554 -18.277 -5.391 67 HG22 THR 9 HG22 THR 9 65.018 -19.240 -4.015 68 HG23 THR 9 HG23 THR 9 64.524 -19.687 -5.646 69 H GLY 10 HN GLY 10 67.557 -16.867 -4.403 70 HA2 GLY 10 HA2 GLY 10 66.259 -16.523 -2.078 71 HA3 GLY 10 HA1 GLY 10 67.856 -17.004 -1.507 72 H VAL 11 HN VAL 11 68.075 -14.919 -0.524 73 HA VAL 11 HA VAL 11 67.977 -12.508 -2.055 74 HB VAL 11 HB VAL 11 69.197 -11.539 -0.065 75 HG11 VAL 11 HG11 VAL 11 67.276 -12.028 1.524 76 HG12 VAL 11 HG12 VAL 11 66.682 -13.183 0.332 77 HG13 VAL 11 HG13 VAL 11 66.789 -11.470 -0.077 78 HG21 VAL 11 HG21 VAL 11 70.366 -13.721 0.476 79 HG22 VAL 11 HG22 VAL 11 68.819 -14.323 1.075 80 HG23 VAL 11 HG23 VAL 11 69.590 -12.945 1.858 81 H THR 12 HN THR 12 69.925 -11.091 -2.351 82 HA THR 12 HA THR 12 71.868 -12.474 -3.889 83 HB THR 12 HB THR 12 72.956 -10.239 -4.061 84 HG1 THR 12 HG1 THR 12 71.243 -9.806 -1.939 85 HG21 THR 12 HG21 THR 12 71.116 -10.900 -5.560 86 HG22 THR 12 HG22 THR 12 71.056 -9.174 -5.209 87 HG23 THR 12 HG23 THR 12 69.944 -10.278 -4.398 88 H THR 13 HN THR 13 72.496 -14.001 -2.197 89 HA THR 13 HA THR 13 73.682 -14.583 -0.216 90 HB THR 13 HB THR 13 74.968 -15.473 -1.928 91 HG1 THR 13 HG1 THR 13 77.154 -14.802 -1.467 92 HG21 THR 13 HG21 THR 13 75.579 -12.613 -2.694 93 HG22 THR 13 HG22 THR 13 74.639 -13.795 -3.601 94 HG23 THR 13 HG23 THR 13 76.382 -14.008 -3.422 95 H ASP 14 HN ASP 14 76.400 -12.690 -0.960 96 HA ASP 14 HA ASP 14 77.550 -11.092 0.233 97 HB2 ASP 14 HB2 ASP 14 75.799 -9.636 -0.650 98 HB3 ASP 14 HB1 ASP 14 74.751 -10.045 0.705 99 H GLN 15 HN GLN 15 78.574 -11.588 2.035 100 HA GLN 15 HA GLN 15 77.317 -12.886 4.269 101 HB2 GLN 15 HB2 GLN 15 79.612 -13.419 3.630 102 HB3 GLN 15 HB1 GLN 15 80.099 -11.748 3.892 103 HG2 GLN 15 HG2 GLN 15 79.568 -11.942 6.282 104 HG3 GLN 15 HG1 GLN 15 79.006 -13.595 6.037 105 HE21 GLN 15 HE21 GLN 15 80.572 -15.131 6.527 106 HE22 GLN 15 HE22 GLN 15 82.249 -14.880 6.424 107 H LYS 16 HN LYS 16 76.745 -12.055 6.239 108 HA LYS 16 HA LYS 16 77.047 -9.123 6.638 109 HB2 LYS 16 HB2 LYS 16 74.756 -10.959 7.370 110 HB3 LYS 16 HB1 LYS 16 74.932 -9.320 7.994 111 HG2 LYS 16 HG2 LYS 16 74.897 -8.412 5.724 112 HG3 LYS 16 HG1 LYS 16 74.809 -10.041 5.051 113 HD2 LYS 16 HD2 LYS 16 72.647 -10.408 6.119 114 HD3 LYS 16 HD1 LYS 16 72.742 -8.836 6.914 115 HE2 LYS 16 HE2 LYS 16 72.817 -9.171 3.908 116 HE3 LYS 16 HE1 LYS 16 71.328 -8.882 4.806 117 HZ1 LYS 16 HZ1 LYS 16 73.519 -7.081 4.218 118 HZ2 LYS 16 HZ2 LYS 16 72.909 -6.982 5.801 119 HZ3 LYS 16 HZ3 LYS 16 71.876 -6.745 4.475 120 H GLU 17 HN GLU 17 78.354 -11.895 7.598 121 HA GLU 17 HA GLU 17 78.104 -11.833 10.433 122 HB2 GLU 17 HB2 GLU 17 79.116 -13.641 8.696 123 HB3 GLU 17 HB1 GLU 17 80.625 -12.879 9.195 124 HG2 GLU 17 HG2 GLU 17 78.550 -14.126 11.029 125 HG3 GLU 17 HG1 GLU 17 80.140 -14.787 10.651 126 H LYS 18 HN LYS 18 79.011 -10.469 11.859 127 HA LYS 18 HA LYS 18 80.426 -8.186 11.052 128 HB2 LYS 18 HB2 LYS 18 79.125 -8.364 13.156 129 HB3 LYS 18 HB1 LYS 18 80.383 -9.410 13.814 130 HG2 LYS 18 HG2 LYS 18 82.035 -7.658 13.625 131 HG3 LYS 18 HG1 LYS 18 80.904 -6.619 12.759 132 HD2 LYS 18 HD2 LYS 18 79.447 -6.561 14.755 133 HD3 LYS 18 HD1 LYS 18 80.600 -7.573 15.621 134 HE2 LYS 18 HE2 LYS 18 81.331 -4.908 14.382 135 HE3 LYS 18 HE1 LYS 18 80.838 -5.089 16.064 136 HZ1 LYS 18 HZ1 LYS 18 82.660 -6.866 16.147 137 HZ2 LYS 18 HZ2 LYS 18 83.138 -5.233 16.142 138 HZ3 LYS 18 HZ3 LYS 18 83.239 -6.155 14.718 139 H GLN 19 HN GLN 19 82.386 -7.985 10.342 140 HA GLN 19 HA GLN 19 84.501 -9.868 11.241 141 HB2 GLN 19 HB2 GLN 19 83.868 -9.941 8.823 142 HB3 GLN 19 HB1 GLN 19 84.358 -8.254 8.683 143 HG2 GLN 19 HG2 GLN 19 86.192 -9.678 7.953 144 HG3 GLN 19 HG1 GLN 19 86.643 -8.902 9.470 145 HE21 GLN 19 HE21 GLN 19 84.478 -11.731 8.994 146 HE22 GLN 19 HE22 GLN 19 85.430 -12.801 9.904 147 H LYS 20 HN LYS 20 86.435 -9.086 11.963 148 HA LYS 20 HA LYS 20 86.494 -6.312 12.810 149 HB2 LYS 20 HB2 LYS 20 88.803 -7.169 13.762 150 HB3 LYS 20 HB1 LYS 20 87.294 -7.678 14.515 151 HG2 LYS 20 HG2 LYS 20 88.273 -9.383 12.253 152 HG3 LYS 20 HG1 LYS 20 89.226 -9.434 13.733 153 HD2 LYS 20 HD2 LYS 20 87.132 -9.942 15.014 154 HD3 LYS 20 HD1 LYS 20 86.257 -10.018 13.488 155 HE2 LYS 20 HE2 LYS 20 87.589 -11.875 12.729 156 HE3 LYS 20 HE1 LYS 20 88.694 -11.709 14.094 157 HZ1 LYS 20 HZ1 LYS 20 86.106 -11.935 15.107 158 HZ2 LYS 20 HZ2 LYS 20 87.389 -13.041 15.255 159 HZ3 LYS 20 HZ3 LYS 20 86.302 -13.167 13.958 160 HA PRO 21 HA PRO 21 88.930 -4.579 9.586 161 HB2 PRO 21 HB2 PRO 21 90.955 -3.383 11.277 162 HB3 PRO 21 HB1 PRO 21 89.587 -2.594 10.483 163 HG2 PRO 21 HG2 PRO 21 89.901 -3.349 13.268 164 HG3 PRO 21 HG1 PRO 21 88.652 -2.342 12.519 165 HD2 PRO 21 HD2 PRO 21 88.265 -4.926 13.542 166 HD3 PRO 21 HD1 PRO 21 87.160 -4.080 12.445 167 H ASP 22 HN ASP 22 90.975 -4.723 8.480 168 HA ASP 22 HA ASP 22 93.242 -6.068 9.466 169 HB2 ASP 22 HB2 ASP 22 91.539 -7.994 9.334 170 HB3 ASP 22 HB1 ASP 22 91.676 -7.832 7.586 171 H ILE 23 HN ILE 23 94.495 -4.629 8.370 172 HA ILE 23 HA ILE 23 93.941 -3.945 5.636 173 HB ILE 23 HB ILE 23 96.011 -2.615 5.752 174 HG12 ILE 23 HG12 ILE 23 96.193 -3.397 8.666 175 HG13 ILE 23 HG11 ILE 23 97.085 -4.285 7.440 176 HG21 ILE 23 HG21 ILE 23 95.205 -1.063 7.520 177 HG22 ILE 23 HG22 ILE 23 94.099 -2.315 8.090 178 HG23 ILE 23 HG23 ILE 23 93.897 -1.625 6.478 179 HD11 ILE 23 HD11 ILE 23 98.249 -2.296 6.730 180 HD12 ILE 23 HD12 ILE 23 98.391 -2.403 8.487 181 HD13 ILE 23 HD13 ILE 23 97.241 -1.281 7.762 182 H VAL 24 HN VAL 24 95.057 -4.367 3.813 183 HA VAL 24 HA VAL 24 96.954 -6.645 3.896 184 HB VAL 24 HB VAL 24 94.887 -7.161 2.659 185 HG11 VAL 24 HG11 VAL 24 94.262 -5.888 0.690 186 HG12 VAL 24 HG12 VAL 24 95.658 -4.832 0.881 187 HG13 VAL 24 HG13 VAL 24 94.352 -4.791 2.067 188 HG21 VAL 24 HG21 VAL 24 97.194 -6.649 0.757 189 HG22 VAL 24 HG22 VAL 24 95.947 -7.886 0.601 190 HG23 VAL 24 HG23 VAL 24 97.141 -7.995 1.896 191 H LEU 25 HN LEU 25 98.952 -6.325 3.034 192 HA LEU 25 HA LEU 25 99.489 -4.042 1.332 193 HB2 LEU 25 HB2 LEU 25 101.298 -3.221 2.971 194 HB3 LEU 25 HB1 LEU 25 99.633 -2.820 3.336 195 HG LEU 25 HG LEU 25 100.989 -3.610 5.306 196 HD11 LEU 25 HD11 LEU 25 98.813 -5.644 4.993 197 HD12 LEU 25 HD12 LEU 25 98.371 -3.936 4.922 198 HD13 LEU 25 HD13 LEU 25 99.181 -4.575 6.333 199 HD21 LEU 25 HD21 LEU 25 101.625 -5.893 5.541 200 HD22 LEU 25 HD22 LEU 25 102.221 -5.385 3.966 201 HD23 LEU 25 HD23 LEU 25 100.758 -6.365 4.083 202 H TYR 26 HN TYR 26 102.338 -4.048 1.914 203 HA TYR 26 HA TYR 26 103.071 -6.695 0.783 204 HB2 TYR 26 HB2 TYR 26 103.999 -3.892 0.257 205 HB3 TYR 26 HB1 TYR 26 105.177 -5.195 0.080 206 HD1 TYR 26 HD1 TYR 26 101.544 -4.628 -0.771 207 HD2 TYR 26 HD2 TYR 26 105.390 -6.029 -2.091 208 HE1 TYR 26 HE1 TYR 26 100.587 -5.178 -2.989 209 HE2 TYR 26 HE2 TYR 26 104.426 -6.577 -4.310 210 HH TYR 26 HH TYR 26 101.474 -5.435 -5.363 211 HA PRO 27 HA PRO 27 105.146 -6.556 4.894 212 HB2 PRO 27 HB2 PRO 27 105.263 -9.452 4.882 213 HB3 PRO 27 HB1 PRO 27 104.280 -8.407 5.917 214 HG2 PRO 27 HG2 PRO 27 103.350 -10.073 3.845 215 HG3 PRO 27 HG1 PRO 27 102.423 -8.840 4.711 216 HD2 PRO 27 HD2 PRO 27 103.526 -8.745 1.972 217 HD3 PRO 27 HD1 PRO 27 102.270 -7.739 2.715 218 H GLU 28 HN GLU 28 105.845 -8.114 1.897 219 HA GLU 28 HA GLU 28 108.595 -8.763 2.541 220 HB2 GLU 28 HB2 GLU 28 106.975 -8.914 -0.001 221 HB3 GLU 28 HB1 GLU 28 108.680 -9.357 0.087 222 HG2 GLU 28 HG2 GLU 28 106.630 -10.546 1.962 223 HG3 GLU 28 HG1 GLU 28 106.965 -11.254 0.384 224 HA PRO 29 HA PRO 29 109.703 -4.502 1.419 225 HB2 PRO 29 HB2 PRO 29 112.523 -5.208 1.346 226 HB3 PRO 29 HB1 PRO 29 111.669 -4.229 2.547 227 HG2 PRO 29 HG2 PRO 29 112.667 -6.877 2.854 228 HG3 PRO 29 HG1 PRO 29 111.748 -5.922 4.025 229 HD2 PRO 29 HD2 PRO 29 110.846 -8.213 2.501 230 HD3 PRO 29 HD1 PRO 29 109.952 -7.288 3.725 231 H VAL 30 HN VAL 30 110.268 -3.516 -0.551 232 HA VAL 30 HA VAL 30 111.269 -5.282 -2.704 233 HB VAL 30 HB VAL 30 108.793 -3.548 -2.854 234 HG11 VAL 30 HG11 VAL 30 109.960 -3.155 -4.904 235 HG12 VAL 30 HG12 VAL 30 108.804 -4.434 -5.275 236 HG13 VAL 30 HG13 VAL 30 110.498 -4.831 -5.003 237 HG21 VAL 30 HG21 VAL 30 109.314 -6.505 -3.321 238 HG22 VAL 30 HG22 VAL 30 107.759 -5.705 -3.529 239 HG23 VAL 30 HG23 VAL 30 108.486 -5.816 -1.926 240 H ARG 31 HN ARG 31 112.670 -4.360 -4.068 241 HA ARG 31 HA ARG 31 113.170 -1.442 -3.849 242 HB2 ARG 31 HB2 ARG 31 115.599 -2.017 -4.090 243 HB3 ARG 31 HB1 ARG 31 114.883 -2.608 -2.588 244 HG2 ARG 31 HG2 ARG 31 114.507 -4.829 -3.715 245 HG3 ARG 31 HG1 ARG 31 115.412 -4.222 -5.103 246 HD2 ARG 31 HD2 ARG 31 116.506 -4.315 -2.283 247 HD3 ARG 31 HD1 ARG 31 116.789 -5.573 -3.484 248 HE ARG 31 HE ARG 31 117.545 -3.169 -4.666 249 HH11 ARG 31 HH11 ARG 31 118.426 -2.633 -1.790 250 HH12 ARG 31 HH12 ARG 31 120.065 -3.205 -1.821 251 HH21 ARG 31 HH21 ARG 31 119.666 -4.981 -4.772 252 HH22 ARG 31 HH22 ARG 31 120.764 -4.532 -3.510 253 H VAL 32 HN VAL 32 113.495 -0.382 -5.769 254 HA VAL 32 HA VAL 32 113.780 -2.000 -8.237 255 HB VAL 32 HB VAL 32 111.374 -1.156 -7.726 256 HG11 VAL 32 HG11 VAL 32 112.400 1.442 -8.888 257 HG12 VAL 32 HG12 VAL 32 112.316 1.197 -7.146 258 HG13 VAL 32 HG13 VAL 32 110.848 1.113 -8.117 259 HG21 VAL 32 HG21 VAL 32 111.710 -2.024 -9.876 260 HG22 VAL 32 HG22 VAL 32 112.911 -0.803 -10.293 261 HG23 VAL 32 HG23 VAL 32 111.202 -0.372 -10.231 262 H LEU 33 HN LEU 33 114.708 -0.873 -10.022 263 HA LEU 33 HA LEU 33 116.673 1.132 -9.208 264 HB2 LEU 33 HB2 LEU 33 116.279 -0.191 -11.904 265 HB3 LEU 33 HB1 LEU 33 117.710 0.673 -11.336 266 HG LEU 33 HG LEU 33 116.605 -1.876 -10.125 267 HD11 LEU 33 HD11 LEU 33 119.070 -1.358 -11.812 268 HD12 LEU 33 HD12 LEU 33 117.642 -2.274 -12.300 269 HD13 LEU 33 HD13 LEU 33 118.688 -2.888 -11.021 270 HD21 LEU 33 HD21 LEU 33 118.826 0.009 -9.357 271 HD22 LEU 33 HD22 LEU 33 118.998 -1.713 -9.014 272 HD23 LEU 33 HD23 LEU 33 117.648 -0.812 -8.334 273 H GLU 34 HN GLU 34 116.494 3.273 -9.685 274 HA GLU 34 HA GLU 34 114.130 4.426 -10.438 275 HB2 GLU 34 HB2 GLU 34 115.200 6.464 -10.470 276 HB3 GLU 34 HB1 GLU 34 116.357 5.508 -9.546 277 HG2 GLU 34 HG2 GLU 34 117.492 5.047 -11.824 278 HG3 GLU 34 HG1 GLU 34 116.508 6.369 -12.439 279 H GLY 35 HN GLY 35 113.165 5.151 -12.250 280 HA2 GLY 35 HA2 GLY 35 112.984 5.589 -14.591 281 HA3 GLY 35 HA1 GLY 35 114.387 4.557 -14.875 282 H GLU 36 HN GLU 36 112.519 3.104 -12.599 283 HA GLU 36 HA GLU 36 111.058 1.441 -14.574 284 HB2 GLU 36 HB2 GLU 36 112.403 0.685 -11.981 285 HB3 GLU 36 HB1 GLU 36 111.253 -0.364 -12.808 286 HG2 GLU 36 HG2 GLU 36 113.723 0.765 -14.138 287 HG3 GLU 36 HG1 GLU 36 113.674 -0.819 -13.367 288 H THR 37 HN THR 37 108.987 0.842 -14.085 289 HA THR 37 HA THR 37 107.592 2.552 -12.177 290 HB THR 37 HB THR 37 105.615 1.956 -13.288 291 HG1 THR 37 HG1 THR 37 106.998 -0.284 -14.338 292 HG21 THR 37 HG21 THR 37 107.280 3.164 -14.736 293 HG22 THR 37 HG22 THR 37 106.104 2.216 -15.645 294 HG23 THR 37 HG23 THR 37 107.744 1.603 -15.416 295 H ALA 38 HN ALA 38 106.569 1.860 -10.339 296 HA ALA 38 HA ALA 38 107.102 -0.937 -9.496 297 HB1 ALA 38 HB1 ALA 38 107.412 -0.158 -7.320 298 HB2 ALA 38 HB2 ALA 38 106.472 1.311 -7.595 299 HB3 ALA 38 HB3 ALA 38 108.096 1.163 -8.266 300 H ARG 39 HN ARG 39 105.415 -2.124 -8.542 301 HA ARG 39 HA ARG 39 102.727 -0.869 -8.631 302 HB2 ARG 39 HB2 ARG 39 103.556 -3.574 -9.694 303 HB3 ARG 39 HB1 ARG 39 101.886 -3.039 -9.513 304 HG2 ARG 39 HG2 ARG 39 102.242 -1.201 -11.050 305 HG3 ARG 39 HG1 ARG 39 103.969 -1.556 -11.142 306 HD2 ARG 39 HD2 ARG 39 102.883 -2.479 -13.109 307 HD3 ARG 39 HD1 ARG 39 103.402 -3.807 -12.077 308 HE ARG 39 HE ARG 39 100.705 -3.036 -11.508 309 HH11 ARG 39 HH11 ARG 39 101.408 -3.554 -14.598 310 HH12 ARG 39 HH12 ARG 39 100.754 -5.152 -14.754 311 HH21 ARG 39 HH21 ARG 39 100.423 -5.640 -11.335 312 HH22 ARG 39 HH22 ARG 39 100.201 -6.332 -12.909 313 H PHE 40 HN PHE 40 102.024 -0.812 -6.637 314 HA PHE 40 HA PHE 40 102.120 -3.265 -4.989 315 HB2 PHE 40 HB2 PHE 40 102.478 -0.492 -3.834 316 HB3 PHE 40 HB1 PHE 40 102.590 -2.024 -2.994 317 HD1 PHE 40 HD1 PHE 40 104.411 0.528 -4.680 318 HD2 PHE 40 HD2 PHE 40 104.395 -3.674 -3.850 319 HE1 PHE 40 HE1 PHE 40 106.844 0.428 -5.143 320 HE2 PHE 40 HE2 PHE 40 106.813 -3.778 -4.318 321 HZ PHE 40 HZ PHE 40 108.050 -1.733 -4.964 322 H ARG 41 HN ARG 41 100.341 -3.364 -3.458 323 HA ARG 41 HA ARG 41 98.043 -1.630 -4.210 324 HB2 ARG 41 HB2 ARG 41 97.829 -3.968 -5.058 325 HB3 ARG 41 HB1 ARG 41 97.947 -4.546 -3.397 326 HG2 ARG 41 HG2 ARG 41 95.947 -3.163 -2.809 327 HG3 ARG 41 HG1 ARG 41 95.808 -2.697 -4.503 328 HD2 ARG 41 HD2 ARG 41 95.763 -5.562 -3.528 329 HD3 ARG 41 HD1 ARG 41 94.317 -4.610 -3.836 330 HE ARG 41 HE ARG 41 96.117 -5.739 -5.829 331 HH11 ARG 41 HH11 ARG 41 96.063 -3.847 -7.585 332 HH12 ARG 41 HH12 ARG 41 94.447 -3.531 -8.125 333 HH21 ARG 41 HH21 ARG 41 92.952 -5.157 -5.452 334 HH22 ARG 41 HH22 ARG 41 92.687 -4.274 -6.919 335 H CYS 42 HN CYS 42 96.672 -0.981 -2.575 336 HA CYS 42 HA CYS 42 97.312 -1.783 0.192 337 HB2 CYS 42 HB2 CYS 42 98.629 0.266 -0.173 338 HB3 CYS 42 HB1 CYS 42 97.183 1.101 -0.743 339 HG CYS 42 HG CYS 42 97.915 0.979 2.088 340 H ARG 43 HN ARG 43 95.391 -2.699 0.645 341 HA ARG 43 HA ARG 43 92.951 -1.037 0.277 342 HB2 ARG 43 HB2 ARG 43 93.220 -2.991 -1.377 343 HB3 ARG 43 HB1 ARG 43 93.002 -4.050 0.012 344 HG2 ARG 43 HG2 ARG 43 90.806 -3.112 0.451 345 HG3 ARG 43 HG1 ARG 43 91.027 -1.898 -0.812 346 HD2 ARG 43 HD2 ARG 43 91.293 -3.815 -2.447 347 HD3 ARG 43 HD1 ARG 43 90.803 -4.900 -1.151 348 HE ARG 43 HE ARG 43 88.919 -2.781 -1.471 349 HH11 ARG 43 HH11 ARG 43 90.029 -5.789 -2.779 350 HH12 ARG 43 HH12 ARG 43 88.521 -6.171 -3.540 351 HH21 ARG 43 HH21 ARG 43 86.956 -3.255 -2.502 352 HH22 ARG 43 HH22 ARG 43 86.780 -4.737 -3.381 353 H VAL 44 HN VAL 44 91.097 -2.094 1.852 354 HA VAL 44 HA VAL 44 92.371 -3.072 4.283 355 HB VAL 44 HB VAL 44 92.163 -0.707 4.681 356 HG11 VAL 44 HG11 VAL 44 89.297 -0.895 3.729 357 HG12 VAL 44 HG12 VAL 44 90.629 -0.279 2.751 358 HG13 VAL 44 HG13 VAL 44 90.162 0.559 4.225 359 HG21 VAL 44 HG21 VAL 44 89.617 -1.849 5.837 360 HG22 VAL 44 HG22 VAL 44 90.708 -0.664 6.550 361 HG23 VAL 44 HG23 VAL 44 91.209 -2.348 6.411 362 H THR 45 HN THR 45 90.372 -3.841 5.785 363 HA THR 45 HA THR 45 87.999 -4.501 4.325 364 HB THR 45 HB THR 45 89.824 -6.179 3.533 365 HG1 THR 45 HG1 THR 45 88.212 -7.691 3.330 366 HG21 THR 45 HG21 THR 45 90.422 -7.945 4.933 367 HG22 THR 45 HG22 THR 45 89.012 -7.730 5.968 368 HG23 THR 45 HG23 THR 45 90.366 -6.618 6.089 369 H GLY 46 HN GLY 46 86.735 -6.249 5.663 370 HA2 GLY 46 HA2 GLY 46 86.075 -7.084 7.757 371 HA3 GLY 46 HA1 GLY 46 87.215 -6.004 8.546 372 H TYR 47 HN TYR 47 86.277 -3.726 6.879 373 HA TYR 47 HA TYR 47 83.562 -3.287 7.928 374 HB2 TYR 47 HB2 TYR 47 85.818 -2.298 9.204 375 HB3 TYR 47 HB1 TYR 47 85.323 -0.932 8.216 376 HD1 TYR 47 HD1 TYR 47 83.687 0.517 9.073 377 HD2 TYR 47 HD2 TYR 47 83.850 -3.539 10.484 378 HE1 TYR 47 HE1 TYR 47 81.887 1.013 10.702 379 HE2 TYR 47 HE2 TYR 47 82.050 -3.039 12.119 380 HH TYR 47 HH TYR 47 81.256 -0.348 13.215 381 HA PRO 48 HA PRO 48 83.546 -1.776 3.635 382 HB2 PRO 48 HB2 PRO 48 80.796 -0.879 3.895 383 HB3 PRO 48 HB1 PRO 48 81.420 -2.262 2.985 384 HG2 PRO 48 HG2 PRO 48 79.920 -2.323 5.389 385 HG3 PRO 48 HG1 PRO 48 80.673 -3.691 4.558 386 HD2 PRO 48 HD2 PRO 48 81.508 -2.398 7.042 387 HD3 PRO 48 HD1 PRO 48 82.118 -3.890 6.302 388 H GLN 49 HN GLN 49 84.568 0.107 3.240 389 HA GLN 49 HA GLN 49 85.007 2.324 3.056 390 HB2 GLN 49 HB2 GLN 49 82.491 2.353 2.582 391 HB3 GLN 49 HB1 GLN 49 82.301 2.903 4.244 392 HG2 GLN 49 HG2 GLN 49 83.834 4.800 3.777 393 HG3 GLN 49 HG1 GLN 49 83.962 4.266 2.102 394 HE21 GLN 49 HE21 GLN 49 82.860 6.852 2.926 395 HE22 GLN 49 HE22 GLN 49 81.231 6.868 2.448 396 HA PRO 50 HA PRO 50 85.795 2.896 7.593 397 HB2 PRO 50 HB2 PRO 50 88.582 2.160 7.248 398 HB3 PRO 50 HB1 PRO 50 87.334 1.279 8.147 399 HG2 PRO 50 HG2 PRO 50 88.521 0.361 5.838 400 HG3 PRO 50 HG1 PRO 50 86.940 -0.160 6.428 401 HD2 PRO 50 HD2 PRO 50 87.572 1.873 4.295 402 HD3 PRO 50 HD1 PRO 50 86.299 0.628 4.323 403 H LYS 51 HN LYS 51 88.258 4.023 8.250 404 HA LYS 51 HA LYS 51 88.681 6.198 6.284 405 HB2 LYS 51 HB2 LYS 51 88.327 6.430 9.283 406 HB3 LYS 51 HB1 LYS 51 88.918 7.729 8.243 407 HG2 LYS 51 HG2 LYS 51 86.839 7.717 6.967 408 HG3 LYS 51 HG1 LYS 51 86.261 6.316 7.864 409 HD2 LYS 51 HD2 LYS 51 85.194 8.183 8.880 410 HD3 LYS 51 HD1 LYS 51 86.502 7.743 9.974 411 HE2 LYS 51 HE2 LYS 51 87.885 9.533 9.170 412 HE3 LYS 51 HE1 LYS 51 86.786 9.864 7.833 413 HZ1 LYS 51 HZ1 LYS 51 85.457 11.063 9.132 414 HZ2 LYS 51 HZ2 LYS 51 86.749 11.104 10.237 415 HZ3 LYS 51 HZ3 LYS 51 85.517 9.946 10.408 416 H VAL 52 HN VAL 52 90.643 5.066 5.584 417 HA VAL 52 HA VAL 52 92.718 4.775 7.652 418 HB VAL 52 HB VAL 52 93.689 3.138 6.232 419 HG11 VAL 52 HG11 VAL 52 90.697 2.848 5.833 420 HG12 VAL 52 HG12 VAL 52 91.520 2.490 7.353 421 HG13 VAL 52 HG13 VAL 52 91.887 1.548 5.907 422 HG21 VAL 52 HG21 VAL 52 93.678 4.163 4.085 423 HG22 VAL 52 HG22 VAL 52 91.924 4.341 4.089 424 HG23 VAL 52 HG23 VAL 52 92.647 2.743 3.905 425 H ASN 53 HN ASN 53 94.927 5.151 6.901 426 HA ASN 53 HA ASN 53 95.282 7.243 4.860 427 HB2 ASN 53 HB2 ASN 53 96.834 8.384 6.564 428 HB3 ASN 53 HB1 ASN 53 95.101 8.589 6.814 429 HD21 ASN 53 HD21 ASN 53 94.215 6.468 8.160 430 HD22 ASN 53 HD22 ASN 53 95.113 6.157 9.566 431 H TRP 54 HN TRP 54 97.605 7.399 4.177 432 HA TRP 54 HA TRP 54 99.307 5.214 5.179 433 HB2 TRP 54 HB2 TRP 54 99.737 4.743 2.569 434 HB3 TRP 54 HB1 TRP 54 98.508 3.884 3.489 435 HD1 TRP 54 HD1 TRP 54 96.208 3.879 2.447 436 HE1 TRP 54 HE1 TRP 54 94.939 5.338 0.730 437 HE3 TRP 54 HE3 TRP 54 99.664 7.553 1.650 438 HZ2 TRP 54 HZ2 TRP 54 95.317 7.734 -0.733 439 HZ3 TRP 54 HZ3 TRP 54 99.180 9.398 0.106 440 HH2 TRP 54 HH2 TRP 54 97.009 9.499 -1.098 441 H TYR 55 HN TYR 55 101.525 5.300 4.147 442 HA TYR 55 HA TYR 55 102.265 8.062 3.398 443 HB2 TYR 55 HB2 TYR 55 103.791 6.439 5.429 444 HB3 TYR 55 HB1 TYR 55 104.008 8.137 5.019 445 HD1 TYR 55 HD1 TYR 55 102.890 9.784 6.266 446 HD2 TYR 55 HD2 TYR 55 101.439 5.749 6.356 447 HE1 TYR 55 HE1 TYR 55 101.268 10.402 8.042 448 HE2 TYR 55 HE2 TYR 55 99.812 6.369 8.120 449 HH TYR 55 HH TYR 55 100.006 8.853 10.002 450 H LEU 56 HN LEU 56 103.382 8.002 1.533 451 HA LEU 56 HA LEU 56 104.783 5.571 0.698 452 HB2 LEU 56 HB2 LEU 56 104.246 8.245 -0.612 453 HB3 LEU 56 HB1 LEU 56 105.359 7.073 -1.317 454 HG LEU 56 HG LEU 56 103.591 5.392 -1.399 455 HD11 LEU 56 HD11 LEU 56 102.220 5.852 0.473 456 HD12 LEU 56 HD12 LEU 56 101.204 6.294 -0.899 457 HD13 LEU 56 HD13 LEU 56 102.027 7.549 0.030 458 HD21 LEU 56 HD21 LEU 56 102.971 8.107 -2.588 459 HD22 LEU 56 HD22 LEU 56 101.991 6.690 -2.956 460 HD23 LEU 56 HD23 LEU 56 103.703 6.713 -3.382 461 H ASN 57 HN ASN 57 107.086 5.347 0.773 462 HA ASN 57 HA ASN 57 109.153 5.799 1.634 463 HB2 ASN 57 HB2 ASN 57 108.458 8.322 0.130 464 HB3 ASN 57 HB1 ASN 57 110.058 8.016 0.798 465 HD21 ASN 57 HD21 ASN 57 109.769 8.283 -1.993 466 HD22 ASN 57 HD22 ASN 57 110.014 6.775 -2.728 467 H GLY 58 HN GLY 58 106.588 6.931 3.132 468 HA2 GLY 58 HA2 GLY 58 106.565 7.564 5.423 469 HA3 GLY 58 HA1 GLY 58 108.140 8.324 5.213 470 H GLN 59 HN GLN 59 105.597 8.817 2.865 471 HA GLN 59 HA GLN 59 105.154 11.580 3.864 472 HB2 GLN 59 HB2 GLN 59 106.631 11.525 1.877 473 HB3 GLN 59 HB1 GLN 59 105.363 10.689 0.979 474 HG2 GLN 59 HG2 GLN 59 103.852 12.589 1.291 475 HG3 GLN 59 HG1 GLN 59 105.065 13.417 2.265 476 HE21 GLN 59 HE21 GLN 59 105.745 15.131 0.938 477 HE22 GLN 59 HE22 GLN 59 106.291 14.942 -0.658 478 H LEU 60 HN LEU 60 103.098 11.939 4.381 479 HA LEU 60 HA LEU 60 100.958 10.152 3.684 480 HB2 LEU 60 HB2 LEU 60 101.124 11.233 5.881 481 HB3 LEU 60 HB1 LEU 60 101.028 12.809 5.135 482 HG LEU 60 HG LEU 60 98.741 12.284 4.334 483 HD11 LEU 60 HD11 LEU 60 98.685 9.925 4.091 484 HD12 LEU 60 HD12 LEU 60 97.667 10.237 5.484 485 HD13 LEU 60 HD13 LEU 60 99.317 9.658 5.712 486 HD21 LEU 60 HD21 LEU 60 97.679 12.592 6.439 487 HD22 LEU 60 HD22 LEU 60 99.291 13.275 6.649 488 HD23 LEU 60 HD23 LEU 60 98.921 11.674 7.290 489 H ILE 61 HN ILE 61 99.103 10.642 2.548 490 HA ILE 61 HA ILE 61 97.814 11.419 0.884 491 HB ILE 61 HB ILE 61 97.272 13.291 2.192 492 HG12 ILE 61 HG12 ILE 61 96.846 15.012 0.502 493 HG13 ILE 61 HG11 ILE 61 98.044 14.287 -0.564 494 HG21 ILE 61 HG21 ILE 61 99.362 14.129 2.948 495 HG22 ILE 61 HG22 ILE 61 98.563 15.423 2.066 496 HG23 ILE 61 HG23 ILE 61 99.866 14.526 1.299 497 HD11 ILE 61 HD11 ILE 61 95.554 13.678 -0.952 498 HD12 ILE 61 HD12 ILE 61 95.718 12.669 0.488 499 HD13 ILE 61 HD13 ILE 61 96.724 12.362 -0.928 500 H ARG 62 HN ARG 62 98.091 10.834 -0.983 501 HA ARG 62 HA ARG 62 100.430 11.658 -2.607 502 HB2 ARG 62 HB2 ARG 62 100.205 9.207 -2.331 503 HB3 ARG 62 HB1 ARG 62 98.559 9.285 -2.950 504 HG2 ARG 62 HG2 ARG 62 100.081 8.590 -4.736 505 HG3 ARG 62 HG1 ARG 62 99.431 10.183 -5.103 506 HD2 ARG 62 HD2 ARG 62 101.467 11.248 -4.707 507 HD3 ARG 62 HD1 ARG 62 102.028 9.996 -3.603 508 HE ARG 62 HE ARG 62 101.877 8.683 -5.980 509 HH11 ARG 62 HH11 ARG 62 104.449 8.462 -5.820 510 HH12 ARG 62 HH12 ARG 62 105.243 9.789 -6.598 511 HH21 ARG 62 HH21 ARG 62 102.413 11.796 -6.649 512 HH22 ARG 62 HH22 ARG 62 104.093 11.677 -7.063 513 H LYS 63 HN LYS 63 99.957 12.373 -4.785 514 HA LYS 63 HA LYS 63 97.748 14.076 -4.887 515 HB2 LYS 63 HB2 LYS 63 99.988 14.035 -6.296 516 HB3 LYS 63 HB1 LYS 63 98.989 13.159 -7.456 517 HG2 LYS 63 HG2 LYS 63 98.746 15.456 -8.043 518 HG3 LYS 63 HG1 LYS 63 97.272 15.035 -7.182 519 HD2 LYS 63 HD2 LYS 63 99.098 15.884 -5.155 520 HD3 LYS 63 HD1 LYS 63 99.304 17.024 -6.472 521 HE2 LYS 63 HE2 LYS 63 97.545 17.690 -4.805 522 HE3 LYS 63 HE1 LYS 63 96.951 17.580 -6.459 523 HZ1 LYS 63 HZ1 LYS 63 96.051 15.410 -5.976 524 HZ2 LYS 63 HZ2 LYS 63 95.466 16.528 -4.842 525 HZ3 LYS 63 HZ3 LYS 63 96.699 15.445 -4.408 526 H SER 64 HN SER 64 95.870 14.100 -5.990 527 HA SER 64 HA SER 64 94.443 11.638 -6.094 528 HB2 SER 64 HB2 SER 64 93.469 14.283 -7.146 529 HB3 SER 64 HB1 SER 64 92.526 12.965 -6.458 530 HG SER 64 HG SER 64 94.417 13.741 -4.723 531 H LYS 65 HN LYS 65 92.816 12.889 -8.343 532 HA LYS 65 HA LYS 65 92.775 11.289 -10.339 533 HB2 LYS 65 HB2 LYS 65 93.059 14.265 -10.712 534 HB3 LYS 65 HB1 LYS 65 92.462 13.158 -11.951 535 HG2 LYS 65 HG2 LYS 65 90.680 12.402 -10.403 536 HG3 LYS 65 HG1 LYS 65 91.261 13.539 -9.192 537 HD2 LYS 65 HD2 LYS 65 90.811 15.414 -10.747 538 HD3 LYS 65 HD1 LYS 65 90.196 14.265 -11.937 539 HE2 LYS 65 HE2 LYS 65 88.472 13.527 -10.317 540 HE3 LYS 65 HE1 LYS 65 89.071 14.714 -9.157 541 HZ1 LYS 65 HZ1 LYS 65 87.418 15.901 -10.141 542 HZ2 LYS 65 HZ2 LYS 65 87.583 15.127 -11.644 543 HZ3 LYS 65 HZ3 LYS 65 88.699 16.320 -11.170 544 H ARG 66 HN ARG 66 95.725 13.212 -9.883 545 HA ARG 66 HA ARG 66 96.854 12.711 -12.428 546 HB2 ARG 66 HB2 ARG 66 97.790 14.338 -10.805 547 HB3 ARG 66 HB1 ARG 66 98.285 13.002 -9.767 548 HG2 ARG 66 HG2 ARG 66 99.702 12.122 -11.617 549 HG3 ARG 66 HG1 ARG 66 99.236 13.505 -12.605 550 HD2 ARG 66 HD2 ARG 66 100.583 13.729 -9.902 551 HD3 ARG 66 HD1 ARG 66 101.439 13.800 -11.438 552 HE ARG 66 HE ARG 66 99.411 15.695 -11.589 553 HH11 ARG 66 HH11 ARG 66 102.240 15.019 -9.714 554 HH12 ARG 66 HH12 ARG 66 102.521 16.677 -9.290 555 HH21 ARG 66 HH21 ARG 66 99.748 17.859 -11.006 556 HH22 ARG 66 HH22 ARG 66 101.107 18.284 -10.021 557 H PHE 67 HN PHE 67 96.852 10.873 -9.414 558 HA PHE 67 HA PHE 67 97.846 8.486 -10.881 559 HB2 PHE 67 HB2 PHE 67 98.343 9.231 -7.984 560 HB3 PHE 67 HB1 PHE 67 98.849 7.730 -8.756 561 HD1 PHE 67 HD1 PHE 67 99.855 11.020 -7.939 562 HD2 PHE 67 HD2 PHE 67 100.226 8.033 -11.005 563 HE1 PHE 67 HE1 PHE 67 101.919 12.122 -8.759 564 HE2 PHE 67 HE2 PHE 67 102.287 9.135 -11.828 565 HZ PHE 67 HZ PHE 67 103.136 11.176 -10.704 566 H ARG 68 HN ARG 68 96.931 6.419 -10.134 567 HA ARG 68 HA ARG 68 94.157 6.616 -9.590 568 HB2 ARG 68 HB2 ARG 68 96.060 4.265 -9.546 569 HB3 ARG 68 HB1 ARG 68 94.305 4.125 -9.411 570 HG2 ARG 68 HG2 ARG 68 94.049 5.265 -11.578 571 HG3 ARG 68 HG1 ARG 68 95.803 5.393 -11.716 572 HD2 ARG 68 HD2 ARG 68 95.956 2.908 -11.612 573 HD3 ARG 68 HD1 ARG 68 94.194 2.828 -11.589 574 HE ARG 68 HE ARG 68 95.870 3.437 -13.882 575 HH11 ARG 68 HH11 ARG 68 94.339 5.457 -14.740 576 HH12 ARG 68 HH12 ARG 68 92.796 4.834 -15.230 577 HH21 ARG 68 HH21 ARG 68 93.168 1.837 -13.527 578 HH22 ARG 68 HH22 ARG 68 92.136 2.786 -14.543 579 H VAL 69 HN VAL 69 93.520 7.391 -7.678 580 HA VAL 69 HA VAL 69 94.027 5.798 -5.322 581 HB VAL 69 HB VAL 69 95.928 7.450 -5.398 582 HG11 VAL 69 HG11 VAL 69 94.362 9.296 -6.311 583 HG12 VAL 69 HG12 VAL 69 95.530 9.765 -5.077 584 HG13 VAL 69 HG13 VAL 69 93.844 9.498 -4.637 585 HG21 VAL 69 HG21 VAL 69 95.183 6.413 -3.301 586 HG22 VAL 69 HG22 VAL 69 93.955 7.664 -3.110 587 HG23 VAL 69 HG23 VAL 69 95.666 8.087 -3.020 588 H ARG 70 HN ARG 70 92.186 5.664 -4.203 589 HA ARG 70 HA ARG 70 90.295 7.941 -4.291 590 HB2 ARG 70 HB2 ARG 70 89.614 6.240 -5.989 591 HB3 ARG 70 HB1 ARG 70 89.511 5.046 -4.712 592 HG2 ARG 70 HG2 ARG 70 87.287 5.783 -4.933 593 HG3 ARG 70 HG1 ARG 70 87.877 6.708 -3.557 594 HD2 ARG 70 HD2 ARG 70 88.214 8.663 -4.922 595 HD3 ARG 70 HD1 ARG 70 87.924 7.752 -6.401 596 HE ARG 70 HE ARG 70 85.638 7.506 -4.807 597 HH11 ARG 70 HH11 ARG 70 85.648 8.567 -7.631 598 HH12 ARG 70 HH12 ARG 70 85.093 10.191 -7.416 599 HH21 ARG 70 HH21 ARG 70 85.681 10.216 -3.998 600 HH22 ARG 70 HH22 ARG 70 85.100 11.123 -5.355 601 H TYR 71 HN TYR 71 89.916 8.549 -2.263 602 HA TYR 71 HA TYR 71 90.646 6.809 -0.083 603 HB2 TYR 71 HB2 TYR 71 89.134 9.417 0.160 604 HB3 TYR 71 HB1 TYR 71 90.251 8.688 1.316 605 HD1 TYR 71 HD1 TYR 71 89.957 10.520 -1.875 606 HD2 TYR 71 HD2 TYR 71 92.681 8.834 0.988 607 HE1 TYR 71 HE1 TYR 71 91.835 11.738 -2.940 608 HE2 TYR 71 HE2 TYR 71 94.554 10.049 -0.078 609 HH TYR 71 HH TYR 71 94.828 11.030 -2.742 610 H ASP 72 HN ASP 72 89.333 5.068 -0.233 611 HA ASP 72 HA ASP 72 86.813 5.256 1.120 612 HB2 ASP 72 HB2 ASP 72 86.261 5.747 -1.327 613 HB3 ASP 72 HB1 ASP 72 86.814 4.113 -1.683 614 H GLY 73 HN GLY 73 89.538 4.119 1.224 615 HA2 GLY 73 HA2 GLY 73 90.134 2.157 2.448 616 HA3 GLY 73 HA1 GLY 73 88.824 1.289 1.651 617 H ILE 74 HN ILE 74 89.820 2.862 -0.892 618 HA ILE 74 HA ILE 74 91.888 0.856 -1.610 619 HB ILE 74 HB ILE 74 91.073 1.462 -3.991 620 HG12 ILE 74 HG12 ILE 74 88.642 2.361 -2.425 621 HG13 ILE 74 HG11 ILE 74 89.817 3.491 -3.078 622 HG21 ILE 74 HG21 ILE 74 90.562 -0.660 -2.776 623 HG22 ILE 74 HG22 ILE 74 89.210 -0.130 -3.775 624 HG23 ILE 74 HG23 ILE 74 89.175 0.134 -2.031 625 HD11 ILE 74 HD11 ILE 74 88.308 1.430 -4.694 626 HD12 ILE 74 HD12 ILE 74 89.452 2.605 -5.337 627 HD13 ILE 74 HD13 ILE 74 87.926 3.150 -4.640 628 H HIS 75 HN HIS 75 93.836 1.495 -1.998 629 HA HIS 75 HA HIS 75 94.359 4.141 -3.168 630 HB2 HIS 75 HB2 HIS 75 96.414 3.472 -1.201 631 HB3 HIS 75 HB1 HIS 75 95.433 4.932 -1.318 632 HD1 HIS 75 HD1 HIS 75 95.637 1.632 0.403 633 HD2 HIS 75 HD2 HIS 75 92.993 4.844 0.226 634 HE1 HIS 75 HE1 HIS 75 93.980 1.296 2.287 635 H TYR 76 HN TYR 76 95.132 3.484 -5.101 636 HA TYR 76 HA TYR 76 96.872 1.140 -5.296 637 HB2 TYR 76 HB2 TYR 76 95.455 2.941 -7.227 638 HB3 TYR 76 HB1 TYR 76 96.862 2.057 -7.806 639 HD1 TYR 76 HD1 TYR 76 95.617 0.669 -9.335 640 HD2 TYR 76 HD2 TYR 76 94.628 0.682 -5.140 641 HE1 TYR 76 HE1 TYR 76 94.230 -1.357 -9.649 642 HE2 TYR 76 HE2 TYR 76 93.239 -1.339 -5.476 643 HH TYR 76 HH TYR 76 92.226 -2.642 -7.053 644 H LEU 77 HN LEU 77 98.958 1.192 -5.220 645 HA LEU 77 HA LEU 77 100.422 3.718 -5.147 646 HB2 LEU 77 HB2 LEU 77 100.890 0.904 -4.270 647 HB3 LEU 77 HB1 LEU 77 102.257 2.005 -4.417 648 HG LEU 77 HG LEU 77 101.262 1.889 -2.112 649 HD11 LEU 77 HD11 LEU 77 101.650 4.117 -1.683 650 HD12 LEU 77 HD12 LEU 77 100.697 4.676 -3.056 651 HD13 LEU 77 HD13 LEU 77 102.323 4.040 -3.309 652 HD21 LEU 77 HD21 LEU 77 99.067 2.687 -1.674 653 HD22 LEU 77 HD22 LEU 77 98.895 1.619 -3.063 654 HD23 LEU 77 HD23 LEU 77 98.907 3.369 -3.290 655 H ASP 78 HN ASP 78 100.262 4.033 -7.557 656 HA ASP 78 HA ASP 78 102.141 2.239 -9.021 657 HB2 ASP 78 HB2 ASP 78 99.732 2.199 -9.779 658 HB3 ASP 78 HB1 ASP 78 99.942 3.874 -10.274 659 H ILE 79 HN ILE 79 104.049 3.267 -9.037 660 HA ILE 79 HA ILE 79 104.110 6.156 -9.733 661 HB ILE 79 HB ILE 79 106.572 5.879 -8.942 662 HG12 ILE 79 HG12 ILE 79 105.467 3.634 -7.258 663 HG13 ILE 79 HG11 ILE 79 106.102 3.257 -8.855 664 HG21 ILE 79 HG21 ILE 79 105.912 6.297 -6.614 665 HG22 ILE 79 HG22 ILE 79 104.298 5.669 -6.947 666 HG23 ILE 79 HG23 ILE 79 104.845 7.154 -7.726 667 HD11 ILE 79 HD11 ILE 79 108.256 4.103 -8.322 668 HD12 ILE 79 HD12 ILE 79 107.772 3.133 -6.928 669 HD13 ILE 79 HD13 ILE 79 107.665 4.891 -6.857 670 H VAL 80 HN VAL 80 104.467 6.486 -11.829 671 HA VAL 80 HA VAL 80 105.741 4.466 -13.472 672 HB VAL 80 HB VAL 80 105.097 7.222 -14.488 673 HG11 VAL 80 HG11 VAL 80 104.639 6.093 -16.506 674 HG12 VAL 80 HG12 VAL 80 104.347 4.557 -15.696 675 HG13 VAL 80 HG13 VAL 80 105.990 5.174 -15.847 676 HG21 VAL 80 HG21 VAL 80 103.104 5.151 -13.543 677 HG22 VAL 80 HG22 VAL 80 102.693 6.350 -14.766 678 HG23 VAL 80 HG23 VAL 80 103.159 6.868 -13.147 679 H ASP 81 HN ASP 81 106.938 6.557 -15.234 680 HA ASP 81 HA ASP 81 109.533 6.651 -13.924 681 HB2 ASP 81 HB2 ASP 81 110.273 7.584 -16.117 682 HB3 ASP 81 HB1 ASP 81 109.474 6.018 -16.259 683 H CYS 82 HN CYS 82 108.117 8.172 -12.339 684 HA CYS 82 HA CYS 82 108.395 10.979 -13.246 685 HB2 CYS 82 HB2 CYS 82 106.837 9.753 -10.959 686 HB3 CYS 82 HB1 CYS 82 106.998 11.490 -11.230 687 HG CYS 82 HG CYS 82 105.821 9.762 -13.536 688 H LYS 83 HN LYS 83 108.378 9.671 -10.011 689 HA LYS 83 HA LYS 83 111.204 10.430 -9.599 690 HB2 LYS 83 HB2 LYS 83 110.553 11.368 -7.383 691 HB3 LYS 83 HB1 LYS 83 109.856 12.270 -8.728 692 HG2 LYS 83 HG2 LYS 83 107.749 10.913 -8.456 693 HG3 LYS 83 HG1 LYS 83 108.448 10.215 -6.999 694 HD2 LYS 83 HD2 LYS 83 108.658 12.437 -5.991 695 HD3 LYS 83 HD1 LYS 83 108.020 13.177 -7.458 696 HE2 LYS 83 HE2 LYS 83 106.117 13.047 -6.086 697 HE3 LYS 83 HE1 LYS 83 105.969 11.595 -7.075 698 HZ1 LYS 83 HZ1 LYS 83 107.321 10.518 -5.186 699 HZ2 LYS 83 HZ2 LYS 83 105.662 10.799 -4.956 700 HZ3 LYS 83 HZ3 LYS 83 106.807 11.848 -4.265 701 H SER 84 HN SER 84 112.300 8.698 -8.828 702 HA SER 84 HA SER 84 110.928 6.841 -7.029 703 HB2 SER 84 HB2 SER 84 112.607 5.614 -9.160 704 HB3 SER 84 HB1 SER 84 111.130 5.016 -8.411 705 HG SER 84 HG SER 84 110.542 5.632 -10.425 706 H TYR 85 HN TYR 85 113.930 7.891 -8.561 707 HA TYR 85 HA TYR 85 115.823 6.427 -7.194 708 HB2 TYR 85 HB2 TYR 85 117.417 7.948 -7.979 709 HB3 TYR 85 HB1 TYR 85 116.114 8.034 -9.145 710 HD1 TYR 85 HD1 TYR 85 118.363 10.028 -7.528 711 HD2 TYR 85 HD2 TYR 85 114.125 9.775 -8.185 712 HE1 TYR 85 HE1 TYR 85 118.158 12.462 -7.136 713 HE2 TYR 85 HE2 TYR 85 113.921 12.218 -7.801 714 HH TYR 85 HH TYR 85 116.772 14.176 -6.925 715 H ASP 86 HN ASP 86 114.394 6.598 -5.005 716 HA ASP 86 HA ASP 86 116.109 8.034 -3.180 717 HB2 ASP 86 HB2 ASP 86 113.199 8.787 -3.498 718 HB3 ASP 86 HB1 ASP 86 114.157 9.186 -2.077 719 H THR 87 HN THR 87 116.505 6.560 -1.671 720 HA THR 87 HA THR 87 114.671 4.387 -1.203 721 HB THR 87 HB THR 87 116.399 3.529 0.261 722 HG1 THR 87 HG1 THR 87 118.331 5.137 0.245 723 HG21 THR 87 HG21 THR 87 118.265 3.463 -1.310 724 HG22 THR 87 HG22 THR 87 117.651 4.898 -2.130 725 HG23 THR 87 HG23 THR 87 116.744 3.388 -2.199 726 H GLY 88 HN GLY 88 112.998 4.467 0.142 727 HA2 GLY 88 HA2 GLY 88 113.230 6.011 2.655 728 HA3 GLY 88 HA1 GLY 88 111.846 6.272 1.595 729 H GLU 89 HN GLU 89 110.342 5.510 3.121 730 HA GLU 89 HA GLU 89 110.201 2.579 3.265 731 HB2 GLU 89 HB2 GLU 89 109.767 2.610 5.686 732 HB3 GLU 89 HB1 GLU 89 111.380 3.223 5.317 733 HG2 GLU 89 HG2 GLU 89 110.492 5.544 5.430 734 HG3 GLU 89 HG1 GLU 89 108.921 4.897 5.891 735 H VAL 90 HN VAL 90 108.112 1.756 3.540 736 HA VAL 90 HA VAL 90 105.933 3.745 3.274 737 HB VAL 90 HB VAL 90 106.241 0.954 2.137 738 HG11 VAL 90 HG11 VAL 90 103.995 1.546 1.049 739 HG12 VAL 90 HG12 VAL 90 103.861 2.813 2.270 740 HG13 VAL 90 HG13 VAL 90 103.952 1.121 2.760 741 HG21 VAL 90 HG21 VAL 90 106.177 3.740 0.968 742 HG22 VAL 90 HG22 VAL 90 105.832 2.319 -0.014 743 HG23 VAL 90 HG23 VAL 90 107.406 2.496 0.759 744 H LYS 91 HN LYS 91 104.302 3.644 4.683 745 HA LYS 91 HA LYS 91 104.013 1.292 6.462 746 HB2 LYS 91 HB2 LYS 91 105.285 3.259 7.518 747 HB3 LYS 91 HB1 LYS 91 103.763 4.142 7.430 748 HG2 LYS 91 HG2 LYS 91 102.653 2.472 8.816 749 HG3 LYS 91 HG1 LYS 91 104.087 1.452 8.789 750 HD2 LYS 91 HD2 LYS 91 104.284 2.514 10.863 751 HD3 LYS 91 HD1 LYS 91 105.294 3.523 9.834 752 HE2 LYS 91 HE2 LYS 91 103.887 4.983 11.152 753 HE3 LYS 91 HE1 LYS 91 103.296 5.036 9.495 754 HZ1 LYS 91 HZ1 LYS 91 102.184 3.125 11.449 755 HZ2 LYS 91 HZ2 LYS 91 101.490 3.698 10.009 756 HZ3 LYS 91 HZ3 LYS 91 101.609 4.718 11.365 757 H VAL 92 HN VAL 92 101.924 0.594 6.547 758 HA VAL 92 HA VAL 92 99.789 2.477 5.690 759 HB VAL 92 HB VAL 92 100.071 -0.506 5.252 760 HG11 VAL 92 HG11 VAL 92 97.879 -0.216 4.008 761 HG12 VAL 92 HG12 VAL 92 97.740 1.371 4.762 762 HG13 VAL 92 HG13 VAL 92 97.746 -0.083 5.760 763 HG21 VAL 92 HG21 VAL 92 101.284 1.198 3.747 764 HG22 VAL 92 HG22 VAL 92 99.677 1.686 3.205 765 HG23 VAL 92 HG23 VAL 92 100.232 0.033 2.941 766 H THR 93 HN THR 93 98.120 2.748 7.025 767 HA THR 93 HA THR 93 97.600 0.818 9.185 768 HB THR 93 HB THR 93 99.035 2.363 10.318 769 HG1 THR 93 HG1 THR 93 97.661 2.952 11.864 770 HG21 THR 93 HG21 THR 93 97.321 4.587 9.183 771 HG22 THR 93 HG22 THR 93 98.925 4.153 8.590 772 HG23 THR 93 HG23 THR 93 98.730 4.778 10.226 773 H ALA 94 HN ALA 94 95.481 0.918 10.013 774 HA ALA 94 HA ALA 94 93.591 2.587 8.447 775 HB1 ALA 94 HB1 ALA 94 93.359 -0.304 9.297 776 HB2 ALA 94 HB2 ALA 94 93.345 0.338 7.654 777 HB3 ALA 94 HB3 ALA 94 91.988 0.652 8.735 778 H GLU 95 HN GLU 95 91.817 3.400 9.508 779 HA GLU 95 HA GLU 95 91.656 2.925 12.422 780 HB2 GLU 95 HB2 GLU 95 92.945 4.995 12.079 781 HB3 GLU 95 HB1 GLU 95 91.642 5.646 11.089 782 HG2 GLU 95 HG2 GLU 95 90.102 5.541 13.002 783 HG3 GLU 95 HG1 GLU 95 91.361 4.815 13.995 784 H ASN 96 HN ASN 96 89.798 1.677 12.098 785 HA ASN 96 HA ASN 96 87.487 2.962 10.856 786 HB2 ASN 96 HB2 ASN 96 87.150 0.301 12.143 787 HB3 ASN 96 HB1 ASN 96 86.668 0.839 10.537 788 HD21 ASN 96 HD21 ASN 96 89.541 -0.192 12.423 789 HD22 ASN 96 HD22 ASN 96 90.388 -0.799 11.083 790 HA PRO 97 HA PRO 97 85.722 4.085 14.692 791 HB2 PRO 97 HB2 PRO 97 83.182 2.690 14.584 792 HB3 PRO 97 HB1 PRO 97 83.515 4.388 14.219 793 HG2 PRO 97 HG2 PRO 97 82.820 2.399 12.367 794 HG3 PRO 97 HG1 PRO 97 83.469 4.004 11.990 795 HD2 PRO 97 HD2 PRO 97 84.841 1.376 11.927 796 HD3 PRO 97 HD1 PRO 97 85.254 2.888 11.093 797 H GLU 98 HN GLU 98 85.915 0.653 14.117 798 HA GLU 98 HA GLU 98 85.651 0.118 17.026 799 HB2 GLU 98 HB2 GLU 98 85.183 -1.667 14.643 800 HB3 GLU 98 HB1 GLU 98 85.165 -2.218 16.319 801 HG2 GLU 98 HG2 GLU 98 83.368 -0.600 16.829 802 HG3 GLU 98 HG1 GLU 98 83.374 -0.075 15.146 803 H GLY 99 HN GLY 99 88.186 0.481 14.847 804 HA2 GLY 99 HA2 GLY 99 89.939 -0.924 16.599 805 HA3 GLY 99 HA1 GLY 99 89.681 -1.827 15.112 806 H VAL 100 HN VAL 100 92.136 -1.174 15.633 807 HA VAL 100 HA VAL 100 92.838 0.781 13.566 808 HB VAL 100 HB VAL 100 94.673 1.650 15.093 809 HG11 VAL 100 HG11 VAL 100 92.717 3.014 14.594 810 HG12 VAL 100 HG12 VAL 100 93.130 3.202 16.297 811 HG13 VAL 100 HG13 VAL 100 91.775 2.174 15.825 812 HG21 VAL 100 HG21 VAL 100 94.291 1.398 17.516 813 HG22 VAL 100 HG22 VAL 100 94.532 -0.177 16.757 814 HG23 VAL 100 HG23 VAL 100 92.908 0.352 17.194 815 H ILE 101 HN ILE 101 94.822 0.311 12.561 816 HA ILE 101 HA ILE 101 96.370 -1.985 13.531 817 HB ILE 101 HB ILE 101 95.533 -1.884 10.629 818 HG12 ILE 101 HG12 ILE 101 94.143 -3.455 12.831 819 HG13 ILE 101 HG11 ILE 101 93.468 -2.029 12.048 820 HG21 ILE 101 HG21 ILE 101 96.592 -4.044 12.482 821 HG22 ILE 101 HG22 ILE 101 97.467 -3.252 11.171 822 HG23 ILE 101 HG23 ILE 101 96.110 -4.314 10.808 823 HD11 ILE 101 HD11 ILE 101 92.966 -3.142 10.119 824 HD12 ILE 101 HD12 ILE 101 92.962 -4.540 11.194 825 HD13 ILE 101 HD13 ILE 101 94.381 -4.191 10.210 826 H GLU 102 HN GLU 102 98.483 -2.126 12.603 827 HA GLU 102 HA GLU 102 99.394 0.038 10.862 828 HB2 GLU 102 HB2 GLU 102 99.520 0.977 13.175 829 HB3 GLU 102 HB1 GLU 102 100.593 -0.352 13.619 830 HG2 GLU 102 HG2 GLU 102 102.210 0.353 11.918 831 HG3 GLU 102 HG1 GLU 102 101.132 1.652 11.409 832 H HIS 103 HN HIS 103 101.075 -0.609 9.601 833 HA HIS 103 HA HIS 103 102.592 -3.040 10.344 834 HB2 HIS 103 HB2 HIS 103 100.914 -2.576 7.898 835 HB3 HIS 103 HB1 HIS 103 102.401 -3.503 7.722 836 HD1 HIS 103 HD1 HIS 103 99.020 -4.155 8.105 837 HD2 HIS 103 HD2 HIS 103 102.369 -5.531 10.166 838 HE1 HIS 103 HE1 HIS 103 98.368 -6.376 9.118 839 H LYS 104 HN LYS 104 104.722 -2.844 10.014 840 HA LYS 104 HA LYS 104 105.738 -0.421 8.685 841 HB2 LYS 104 HB2 LYS 104 106.572 -1.047 10.958 842 HB3 LYS 104 HB1 LYS 104 107.239 -2.524 10.262 843 HG2 LYS 104 HG2 LYS 104 108.651 -1.224 8.755 844 HG3 LYS 104 HG1 LYS 104 107.930 0.274 9.332 845 HD2 LYS 104 HD2 LYS 104 110.005 0.047 10.507 846 HD3 LYS 104 HD1 LYS 104 108.740 -0.360 11.660 847 HE2 LYS 104 HE2 LYS 104 109.196 -2.677 11.518 848 HE3 LYS 104 HE1 LYS 104 110.102 -2.497 10.015 849 HZ1 LYS 104 HZ1 LYS 104 111.840 -1.379 11.167 850 HZ2 LYS 104 HZ2 LYS 104 111.506 -2.812 12.013 851 HZ3 LYS 104 HZ3 LYS 104 110.946 -1.322 12.606 852 H VAL 105 HN VAL 105 106.790 -0.442 6.815 853 HA VAL 105 HA VAL 105 107.834 -2.942 5.688 854 HB VAL 105 HB VAL 105 105.871 -1.169 4.206 855 HG11 VAL 105 HG11 VAL 105 106.034 -2.888 2.463 856 HG12 VAL 105 HG12 VAL 105 107.193 -3.791 3.442 857 HG13 VAL 105 HG13 VAL 105 107.625 -2.209 2.796 858 HG21 VAL 105 HG21 VAL 105 104.658 -2.467 5.826 859 HG22 VAL 105 HG22 VAL 105 105.614 -3.907 5.473 860 HG23 VAL 105 HG23 VAL 105 104.476 -3.290 4.277 861 H LYS 106 HN LYS 106 109.568 -2.601 4.273 862 HA LYS 106 HA LYS 106 110.448 0.225 3.983 863 HB2 LYS 106 HB2 LYS 106 112.063 -2.272 4.487 864 HB3 LYS 106 HB1 LYS 106 112.772 -0.736 3.994 865 HG2 LYS 106 HG2 LYS 106 111.745 0.361 5.960 866 HG3 LYS 106 HG1 LYS 106 111.089 -1.195 6.468 867 HD2 LYS 106 HD2 LYS 106 113.345 -2.114 6.677 868 HD3 LYS 106 HD1 LYS 106 114.037 -0.600 6.088 869 HE2 LYS 106 HE2 LYS 106 114.163 -0.613 8.518 870 HE3 LYS 106 HE1 LYS 106 112.961 0.578 8.017 871 HZ1 LYS 106 HZ1 LYS 106 111.559 -0.490 9.341 872 HZ2 LYS 106 HZ2 LYS 106 112.618 -1.798 9.555 873 HZ3 LYS 106 HZ3 LYS 106 111.568 -1.762 8.218 874 H LEU 107 HN LEU 107 110.752 0.963 2.032 875 HA LEU 107 HA LEU 107 111.263 -0.917 -0.215 876 HB2 LEU 107 HB2 LEU 107 109.377 1.431 -0.038 877 HB3 LEU 107 HB1 LEU 107 110.091 0.989 -1.590 878 HG LEU 107 HG LEU 107 109.214 -1.317 -1.321 879 HD11 LEU 107 HD11 LEU 107 108.854 -1.899 0.850 880 HD12 LEU 107 HD12 LEU 107 107.247 -1.242 0.579 881 HD13 LEU 107 HD13 LEU 107 108.480 -0.255 1.359 882 HD21 LEU 107 HD21 LEU 107 106.691 -0.562 -1.376 883 HD22 LEU 107 HD22 LEU 107 107.790 0.009 -2.633 884 HD23 LEU 107 HD23 LEU 107 107.364 1.067 -1.288 885 H GLU 108 HN GLU 108 113.240 -0.550 -1.036 886 HA GLU 108 HA GLU 108 114.421 2.153 -0.719 887 HB2 GLU 108 HB2 GLU 108 116.057 -0.314 -1.250 888 HB3 GLU 108 HB1 GLU 108 116.519 1.178 -0.431 889 HG2 GLU 108 HG2 GLU 108 114.613 -0.922 0.650 890 HG3 GLU 108 HG1 GLU 108 116.269 -0.660 1.184 891 H ILE 109 HN ILE 109 114.505 3.294 -2.586 892 HA ILE 109 HA ILE 109 114.540 1.792 -5.135 893 HB ILE 109 HB ILE 109 113.949 4.707 -4.625 894 HG12 ILE 109 HG12 ILE 109 112.005 2.456 -5.217 895 HG13 ILE 109 HG11 ILE 109 112.304 3.083 -3.597 896 HG21 ILE 109 HG21 ILE 109 112.850 4.319 -6.984 897 HG22 ILE 109 HG22 ILE 109 113.892 2.910 -7.057 898 HG23 ILE 109 HG23 ILE 109 114.596 4.508 -6.892 899 HD11 ILE 109 HD11 ILE 109 111.622 5.334 -4.333 900 HD12 ILE 109 HD12 ILE 109 110.329 4.167 -4.613 901 HD13 ILE 109 HD13 ILE 109 111.330 4.717 -5.960 902 H GLN 110 HN GLN 110 116.476 1.495 -5.915 903 HA GLN 110 HA GLN 110 118.701 3.288 -5.290 904 HB2 GLN 110 HB2 GLN 110 118.589 0.698 -6.845 905 HB3 GLN 110 HB1 GLN 110 120.064 1.618 -6.549 906 HG2 GLN 110 HG2 GLN 110 119.694 1.431 -4.117 907 HG3 GLN 110 HG1 GLN 110 118.243 0.473 -4.421 908 HE21 GLN 110 HE21 GLN 110 119.854 -1.017 -2.994 909 HE22 GLN 110 HE22 GLN 110 120.806 -2.083 -3.913 910 H GLN 111 HN GLN 111 119.676 2.213 -8.153 911 HA GLN 111 HA GLN 111 118.267 4.087 -9.870 912 HB2 GLN 111 HB2 GLN 111 120.244 5.379 -10.448 913 HB3 GLN 111 HB1 GLN 111 119.959 5.484 -8.713 914 HG2 GLN 111 HG2 GLN 111 121.658 3.737 -8.321 915 HG3 GLN 111 HG1 GLN 111 121.945 3.620 -10.054 916 HE21 GLN 111 HE21 GLN 111 123.837 4.524 -7.872 917 HE22 GLN 111 HE22 GLN 111 124.329 6.079 -8.343 918 H LEU 112 HN LEU 112 118.730 3.826 -12.091 919 HA LEU 112 HA LEU 112 119.839 1.179 -12.771 920 HB2 LEU 112 HB2 LEU 112 117.510 1.625 -13.449 921 HB3 LEU 112 HB1 LEU 112 118.038 3.047 -14.342 922 HG LEU 112 HG LEU 112 119.401 1.622 -15.825 923 HD11 LEU 112 HD11 LEU 112 118.836 -0.934 -15.613 924 HD12 LEU 112 HD12 LEU 112 118.447 -0.533 -13.940 925 HD13 LEU 112 HD13 LEU 112 120.072 -0.247 -14.563 926 HD21 LEU 112 HD21 LEU 112 117.061 2.096 -16.419 927 HD22 LEU 112 HD22 LEU 112 116.534 0.682 -15.507 928 HD23 LEU 112 HD23 LEU 112 117.517 0.480 -16.957 929 H GLU 113 HN GLU 113 120.388 4.568 -13.075 930 HA GLU 113 HA GLU 113 122.226 4.270 -15.347 931 HB2 GLU 113 HB2 GLU 113 121.250 6.689 -13.817 932 HB3 GLU 113 HB1 GLU 113 122.384 6.755 -15.166 933 HG2 GLU 113 HG2 GLU 113 120.724 5.682 -16.632 934 HG3 GLU 113 HG1 GLU 113 119.591 5.585 -15.284 935 H HIS 114 HN HIS 114 124.299 3.881 -15.043 936 HA HIS 114 HA HIS 114 125.663 4.910 -12.619 937 HB2 HIS 114 HB2 HIS 114 127.062 2.767 -12.780 938 HB3 HIS 114 HB1 HIS 114 125.417 2.589 -12.164 939 HD1 HIS 114 HD1 HIS 114 126.964 2.632 -15.667 940 HD2 HIS 114 HD2 HIS 114 124.199 0.470 -13.416 941 HE1 HIS 114 HE1 HIS 114 126.072 0.810 -17.186 942 H HIS 115 HN HIS 115 125.358 5.418 -15.703 943 HA HIS 115 HA HIS 115 127.971 5.079 -16.797 944 HB2 HIS 115 HB2 HIS 115 125.727 6.941 -17.616 945 HB3 HIS 115 HB1 HIS 115 127.150 6.557 -18.587 946 HD1 HIS 115 HD1 HIS 115 124.067 4.930 -17.114 947 HD2 HIS 115 HD2 HIS 115 127.021 4.090 -19.930 948 HE1 HIS 115 HE1 HIS 115 123.355 2.802 -18.286 949 H HIS 116 HN HIS 116 126.493 7.429 -14.743 950 HA HIS 116 HA HIS 116 128.508 9.478 -15.253 951 HB2 HIS 116 HB2 HIS 116 126.216 9.324 -13.281 952 HB3 HIS 116 HB1 HIS 116 127.256 10.729 -13.504 953 HD1 HIS 116 HD1 HIS 116 127.140 11.917 -15.878 954 HD2 HIS 116 HD2 HIS 116 124.219 9.012 -15.230 955 HE1 HIS 116 HE1 HIS 116 125.387 12.245 -17.676 956 H HIS 117 HN HIS 117 130.467 8.692 -14.541 957 HA HIS 117 HA HIS 117 130.682 7.622 -11.808 958 HB2 HIS 117 HB2 HIS 117 132.592 7.772 -14.144 959 HB3 HIS 117 HB1 HIS 117 133.101 7.270 -12.532 960 HD1 HIS 117 HD1 HIS 117 130.777 6.258 -15.342 961 HD2 HIS 117 HD2 HIS 117 132.308 4.673 -11.805 962 HE1 HIS 117 HE1 HIS 117 130.081 3.822 -15.286 963 H HIS 118 HN HIS 118 132.451 10.014 -13.796 964 HA HIS 118 HA HIS 118 133.682 11.259 -11.564 965 HB2 HIS 118 HB2 HIS 118 134.554 11.426 -13.883 966 HB3 HIS 118 HB1 HIS 118 133.160 12.422 -14.311 967 HD1 HIS 118 HD1 HIS 118 136.241 12.441 -12.124 968 HD2 HIS 118 HD2 HIS 118 133.309 15.098 -13.439 969 HE1 HIS 118 HE1 HIS 118 136.988 14.749 -11.400 970 H HIS 119 HN HIS 119 130.838 12.099 -13.520 971 HA HIS 119 HA HIS 119 129.578 13.401 -11.287 972 HB2 HIS 119 HB2 HIS 119 131.232 15.121 -12.229 973 HB3 HIS 119 HB1 HIS 119 130.200 15.166 -13.655 974 HD1 HIS 119 HD1 HIS 119 127.931 16.343 -13.454 975 HD2 HIS 119 HD2 HIS 119 129.983 16.129 -9.830 976 HE1 HIS 119 HE1 HIS 119 126.685 17.840 -11.836 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 76.304 -29.157 1.773 2 H2 ARG 1 HT2 ARG 1 75.839 -27.514 1.612 3 H3 ARG 1 HT3 ARG 1 74.667 -28.687 2.002 4 HA ARG 1 HA ARG 1 76.869 -27.628 3.689 5 HB2 ARG 1 HB2 ARG 1 74.583 -26.520 3.618 6 HB3 ARG 1 HB1 ARG 1 73.924 -28.022 4.290 7 HG2 ARG 1 HG2 ARG 1 75.542 -27.826 6.175 8 HG3 ARG 1 HG1 ARG 1 76.038 -26.242 5.527 9 HD2 ARG 1 HD2 ARG 1 73.232 -26.981 6.390 10 HD3 ARG 1 HD1 ARG 1 74.348 -25.970 7.294 11 HE ARG 1 HE ARG 1 72.805 -25.171 4.979 12 HH11 ARG 1 HH11 ARG 1 74.366 -24.073 7.667 13 HH12 ARG 1 HH12 ARG 1 75.036 -22.617 6.950 14 HH21 ARG 1 HH21 ARG 1 74.184 -23.543 3.716 15 HH22 ARG 1 HH22 ARG 1 74.934 -22.349 4.715 16 H MET 2 HN MET 2 74.237 -30.095 3.703 17 HA MET 2 HA MET 2 75.278 -31.583 5.856 18 HB2 MET 2 HB2 MET 2 73.825 -33.454 4.708 19 HB3 MET 2 HB1 MET 2 73.022 -32.074 5.456 20 HG2 MET 2 HG2 MET 2 73.824 -31.811 2.562 21 HG3 MET 2 HG1 MET 2 72.465 -32.848 2.939 22 HE1 MET 2 HE1 MET 2 69.667 -30.803 4.117 23 HE2 MET 2 HE2 MET 2 70.557 -32.319 4.373 24 HE3 MET 2 HE3 MET 2 70.097 -31.842 2.748 25 H ALA 3 HN ALA 3 75.632 -31.813 2.344 26 HA ALA 3 HA ALA 3 77.200 -34.190 2.382 27 HB1 ALA 3 HB1 ALA 3 75.917 -33.386 0.403 28 HB2 ALA 3 HB2 ALA 3 77.609 -33.737 0.044 29 HB3 ALA 3 HB3 ALA 3 77.087 -32.067 0.238 30 H HIS 4 HN HIS 4 79.409 -34.479 2.064 31 HA HIS 4 HA HIS 4 81.094 -32.233 3.024 32 HB2 HIS 4 HB2 HIS 4 82.770 -34.035 3.387 33 HB3 HIS 4 HB1 HIS 4 81.320 -34.232 4.367 34 HD1 HIS 4 HD1 HIS 4 79.795 -36.222 3.819 35 HD2 HIS 4 HD2 HIS 4 83.110 -35.954 1.313 36 HE1 HIS 4 HE1 HIS 4 79.936 -38.408 2.578 37 H GLU 5 HN GLU 5 80.135 -33.398 0.109 38 HA GLU 5 HA GLU 5 82.611 -33.747 -1.255 39 HB2 GLU 5 HB2 GLU 5 80.424 -34.535 -2.134 40 HB3 GLU 5 HB1 GLU 5 79.938 -32.853 -2.406 41 HG2 GLU 5 HG2 GLU 5 81.888 -32.518 -3.897 42 HG3 GLU 5 HG1 GLU 5 82.340 -34.224 -3.681 43 H GLY 6 HN GLY 6 80.557 -30.909 -0.703 44 HA2 GLY 6 HA2 GLY 6 82.039 -29.181 -2.437 45 HA3 GLY 6 HA1 GLY 6 80.956 -28.674 -1.136 46 H ALA 7 HN ALA 7 83.942 -28.224 -2.186 47 HA ALA 7 HA ALA 7 85.553 -28.671 0.119 48 HB1 ALA 7 HB1 ALA 7 87.249 -27.409 -1.012 49 HB2 ALA 7 HB2 ALA 7 86.039 -26.666 -2.072 50 HB3 ALA 7 HB3 ALA 7 86.418 -28.383 -2.234 51 H LEU 8 HN LEU 8 86.223 -27.240 1.742 52 HA LEU 8 HA LEU 8 84.323 -25.158 2.359 53 HB2 LEU 8 HB2 LEU 8 86.783 -26.174 3.776 54 HB3 LEU 8 HB1 LEU 8 85.675 -24.971 4.425 55 HG LEU 8 HG LEU 8 84.849 -27.759 3.600 56 HD11 LEU 8 HD11 LEU 8 85.680 -26.564 6.229 57 HD12 LEU 8 HD12 LEU 8 86.195 -28.063 5.473 58 HD13 LEU 8 HD13 LEU 8 84.584 -27.947 6.162 59 HD21 LEU 8 HD21 LEU 8 82.874 -26.965 5.193 60 HD22 LEU 8 HD22 LEU 8 82.868 -26.506 3.496 61 HD23 LEU 8 HD23 LEU 8 83.433 -25.348 4.717 62 H THR 9 HN THR 9 84.597 -23.005 2.029 63 HA THR 9 HA THR 9 86.967 -22.096 0.597 64 HB THR 9 HB THR 9 85.745 -20.016 0.283 65 HG1 THR 9 HG1 THR 9 84.067 -21.135 2.271 66 HG21 THR 9 HG21 THR 9 85.084 -22.054 -1.047 67 HG22 THR 9 HG22 THR 9 83.838 -20.822 -0.885 68 HG23 THR 9 HG23 THR 9 83.765 -22.284 0.097 69 H GLY 10 HN GLY 10 88.123 -20.192 1.175 70 HA2 GLY 10 HA2 GLY 10 88.874 -20.254 3.992 71 HA3 GLY 10 HA1 GLY 10 89.715 -19.413 2.717 72 H VAL 11 HN VAL 11 89.021 -18.391 5.310 73 HA VAL 11 HA VAL 11 87.894 -16.640 6.380 74 HB VAL 11 HB VAL 11 88.257 -15.273 3.690 75 HG11 VAL 11 HG11 VAL 11 88.475 -13.308 5.072 76 HG12 VAL 11 HG12 VAL 11 88.592 -14.263 6.546 77 HG13 VAL 11 HG13 VAL 11 87.063 -14.155 5.683 78 HG21 VAL 11 HG21 VAL 11 90.317 -16.436 4.165 79 HG22 VAL 11 HG22 VAL 11 90.267 -15.924 5.874 80 HG23 VAL 11 HG23 VAL 11 90.550 -14.726 4.602 81 H THR 12 HN THR 12 85.865 -17.486 6.683 82 HA THR 12 HA THR 12 83.743 -18.037 5.244 83 HB THR 12 HB THR 12 83.535 -15.989 7.461 84 HG1 THR 12 HG1 THR 12 84.791 -17.997 7.825 85 HG21 THR 12 HG21 THR 12 81.432 -16.344 6.298 86 HG22 THR 12 HG22 THR 12 81.361 -17.201 7.830 87 HG23 THR 12 HG23 THR 12 81.659 -18.103 6.340 88 H THR 13 HN THR 13 84.115 -14.607 6.113 89 HA THR 13 HA THR 13 83.370 -12.718 5.078 90 HB THR 13 HB THR 13 84.186 -14.175 2.565 91 HG1 THR 13 HG1 THR 13 86.012 -14.303 3.588 92 HG21 THR 13 HG21 THR 13 83.269 -12.128 1.902 93 HG22 THR 13 HG22 THR 13 84.972 -11.736 2.073 94 HG23 THR 13 HG23 THR 13 83.824 -11.294 3.352 95 H ASP 14 HN ASP 14 81.123 -13.414 5.656 96 HA ASP 14 HA ASP 14 79.323 -14.788 4.127 97 HB2 ASP 14 HB2 ASP 14 78.939 -12.181 5.630 98 HB3 ASP 14 HB1 ASP 14 77.609 -13.115 4.934 99 H GLN 15 HN GLN 15 78.989 -11.299 3.963 100 HA GLN 15 HA GLN 15 79.312 -11.268 1.039 101 HB2 GLN 15 HB2 GLN 15 76.825 -10.396 2.503 102 HB3 GLN 15 HB1 GLN 15 77.198 -9.986 0.814 103 HG2 GLN 15 HG2 GLN 15 77.233 -12.401 0.260 104 HG3 GLN 15 HG1 GLN 15 76.936 -12.797 1.950 105 HE21 GLN 15 HE21 GLN 15 75.442 -12.331 -0.998 106 HE22 GLN 15 HE22 GLN 15 73.868 -12.041 -0.447 107 H LYS 16 HN LYS 16 77.614 -8.817 2.804 108 HA LYS 16 HA LYS 16 80.008 -7.056 2.723 109 HB2 LYS 16 HB2 LYS 16 77.101 -6.405 2.121 110 HB3 LYS 16 HB1 LYS 16 78.368 -5.184 2.325 111 HG2 LYS 16 HG2 LYS 16 79.633 -6.093 0.469 112 HG3 LYS 16 HG1 LYS 16 78.529 -7.424 0.304 113 HD2 LYS 16 HD2 LYS 16 76.704 -5.867 -0.264 114 HD3 LYS 16 HD1 LYS 16 77.847 -4.522 -0.096 115 HE2 LYS 16 HE2 LYS 16 79.230 -5.347 -1.895 116 HE3 LYS 16 HE1 LYS 16 78.264 -6.826 -2.015 117 HZ1 LYS 16 HZ1 LYS 16 77.506 -5.326 -3.674 118 HZ2 LYS 16 HZ2 LYS 16 77.346 -4.063 -2.582 119 HZ3 LYS 16 HZ3 LYS 16 76.306 -5.411 -2.481 120 H GLU 17 HN GLU 17 78.418 -8.734 4.812 121 HA GLU 17 HA GLU 17 77.374 -6.880 6.689 122 HB2 GLU 17 HB2 GLU 17 78.287 -9.730 6.899 123 HB3 GLU 17 HB1 GLU 17 77.481 -8.854 8.200 124 HG2 GLU 17 HG2 GLU 17 75.515 -8.525 6.793 125 HG3 GLU 17 HG1 GLU 17 76.312 -9.280 5.417 126 H LYS 18 HN LYS 18 78.278 -6.802 8.988 127 HA LYS 18 HA LYS 18 80.874 -5.671 8.934 128 HB2 LYS 18 HB2 LYS 18 80.728 -5.527 11.320 129 HB3 LYS 18 HB1 LYS 18 79.116 -5.206 10.680 130 HG2 LYS 18 HG2 LYS 18 78.444 -6.772 12.203 131 HG3 LYS 18 HG1 LYS 18 79.008 -7.926 11.019 132 HD2 LYS 18 HD2 LYS 18 81.326 -7.656 12.209 133 HD3 LYS 18 HD1 LYS 18 80.395 -7.010 13.524 134 HE2 LYS 18 HE2 LYS 18 79.853 -9.705 12.239 135 HE3 LYS 18 HE1 LYS 18 80.741 -9.506 13.741 136 HZ1 LYS 18 HZ1 LYS 18 78.455 -9.954 14.235 137 HZ2 LYS 18 HZ2 LYS 18 77.918 -8.707 13.228 138 HZ3 LYS 18 HZ3 LYS 18 78.775 -8.361 14.654 139 H GLN 19 HN GLN 19 82.862 -6.531 9.160 140 HA GLN 19 HA GLN 19 83.128 -9.334 9.996 141 HB2 GLN 19 HB2 GLN 19 83.025 -9.417 7.580 142 HB3 GLN 19 HB1 GLN 19 84.146 -8.076 7.431 143 HG2 GLN 19 HG2 GLN 19 85.963 -9.379 8.227 144 HG3 GLN 19 HG1 GLN 19 84.901 -10.662 8.811 145 HE21 GLN 19 HE21 GLN 19 85.075 -12.480 7.440 146 HE22 GLN 19 HE22 GLN 19 85.275 -12.355 5.757 147 H LYS 20 HN LYS 20 85.629 -9.774 10.160 148 HA LYS 20 HA LYS 20 86.616 -7.747 11.969 149 HB2 LYS 20 HB2 LYS 20 88.047 -10.242 11.022 150 HB3 LYS 20 HB1 LYS 20 88.394 -9.282 12.442 151 HG2 LYS 20 HG2 LYS 20 86.050 -9.752 13.296 152 HG3 LYS 20 HG1 LYS 20 85.887 -10.899 11.937 153 HD2 LYS 20 HD2 LYS 20 87.839 -12.149 12.769 154 HD3 LYS 20 HD1 LYS 20 88.009 -11.017 14.094 155 HE2 LYS 20 HE2 LYS 20 85.675 -12.818 13.574 156 HE3 LYS 20 HE1 LYS 20 86.812 -12.938 14.922 157 HZ1 LYS 20 HZ1 LYS 20 86.020 -10.477 15.270 158 HZ2 LYS 20 HZ2 LYS 20 85.133 -11.774 15.905 159 HZ3 LYS 20 HZ3 LYS 20 84.646 -11.020 14.458 160 HA PRO 21 HA PRO 21 89.075 -5.366 9.162 161 HB2 PRO 21 HB2 PRO 21 91.428 -5.301 10.844 162 HB3 PRO 21 HB1 PRO 21 90.255 -4.029 10.562 163 HG2 PRO 21 HG2 PRO 21 90.573 -5.782 12.847 164 HG3 PRO 21 HG1 PRO 21 89.547 -4.343 12.672 165 HD2 PRO 21 HD2 PRO 21 88.622 -6.990 12.803 166 HD3 PRO 21 HD1 PRO 21 87.669 -5.593 12.208 167 H ASP 22 HN ASP 22 90.325 -5.827 7.500 168 HA ASP 22 HA ASP 22 92.320 -7.985 7.626 169 HB2 ASP 22 HB2 ASP 22 90.267 -8.840 6.487 170 HB3 ASP 22 HB1 ASP 22 90.381 -7.506 5.356 171 H ILE 23 HN ILE 23 94.248 -7.268 6.808 172 HA ILE 23 HA ILE 23 94.260 -4.783 5.209 173 HB ILE 23 HB ILE 23 94.997 -4.162 7.353 174 HG12 ILE 23 HG12 ILE 23 97.543 -4.859 5.878 175 HG13 ILE 23 HG11 ILE 23 96.481 -3.523 5.456 176 HG21 ILE 23 HG21 ILE 23 96.544 -6.759 7.350 177 HG22 ILE 23 HG22 ILE 23 95.258 -6.250 8.431 178 HG23 ILE 23 HG23 ILE 23 96.816 -5.470 8.516 179 HD11 ILE 23 HD11 ILE 23 97.521 -3.744 8.246 180 HD12 ILE 23 HD12 ILE 23 97.032 -2.313 7.370 181 HD13 ILE 23 HD13 ILE 23 98.563 -3.107 6.985 182 H VAL 24 HN VAL 24 95.021 -5.194 3.188 183 HA VAL 24 HA VAL 24 97.040 -7.356 2.888 184 HB VAL 24 HB VAL 24 96.279 -7.496 0.523 185 HG11 VAL 24 HG11 VAL 24 95.304 -8.985 2.202 186 HG12 VAL 24 HG12 VAL 24 94.018 -8.467 1.094 187 HG13 VAL 24 HG13 VAL 24 94.145 -7.728 2.706 188 HG21 VAL 24 HG21 VAL 24 95.416 -5.319 0.037 189 HG22 VAL 24 HG22 VAL 24 94.399 -5.321 1.488 190 HG23 VAL 24 HG23 VAL 24 93.979 -6.342 0.106 191 H LEU 25 HN LEU 25 99.026 -6.759 2.295 192 HA LEU 25 HA LEU 25 99.608 -4.511 0.573 193 HB2 LEU 25 HB2 LEU 25 100.244 -4.405 3.554 194 HB3 LEU 25 HB1 LEU 25 101.240 -3.567 2.364 195 HG LEU 25 HG LEU 25 98.758 -2.709 1.610 196 HD11 LEU 25 HD11 LEU 25 97.985 -3.996 3.789 197 HD12 LEU 25 HD12 LEU 25 97.259 -2.461 3.301 198 HD13 LEU 25 HD13 LEU 25 98.500 -2.512 4.558 199 HD21 LEU 25 HD21 LEU 25 100.740 -1.553 3.564 200 HD22 LEU 25 HD22 LEU 25 99.291 -0.679 3.105 201 HD23 LEU 25 HD23 LEU 25 100.460 -1.099 1.873 202 H TYR 26 HN TYR 26 102.347 -4.340 1.555 203 HA TYR 26 HA TYR 26 103.389 -6.974 0.652 204 HB2 TYR 26 HB2 TYR 26 104.313 -4.112 0.244 205 HB3 TYR 26 HB1 TYR 26 105.430 -5.476 0.074 206 HD1 TYR 26 HD1 TYR 26 102.275 -3.985 -1.305 207 HD2 TYR 26 HD2 TYR 26 105.322 -6.996 -1.760 208 HE1 TYR 26 HE1 TYR 26 101.482 -4.495 -3.602 209 HE2 TYR 26 HE2 TYR 26 104.490 -7.497 -4.021 210 HH TYR 26 HH TYR 26 101.795 -6.979 -5.148 211 HA PRO 27 HA PRO 27 104.835 -6.491 5.021 212 HB2 PRO 27 HB2 PRO 27 105.161 -9.362 5.146 213 HB3 PRO 27 HB1 PRO 27 103.997 -8.350 6.006 214 HG2 PRO 27 HG2 PRO 27 103.466 -10.169 3.893 215 HG3 PRO 27 HG1 PRO 27 102.337 -8.986 4.586 216 HD2 PRO 27 HD2 PRO 27 103.788 -8.906 2.018 217 HD3 PRO 27 HD1 PRO 27 102.399 -7.956 2.540 218 H GLU 28 HN GLU 28 106.181 -7.943 2.218 219 HA GLU 28 HA GLU 28 108.853 -8.253 3.373 220 HB2 GLU 28 HB2 GLU 28 107.736 -8.880 0.651 221 HB3 GLU 28 HB1 GLU 28 109.393 -9.224 1.157 222 HG2 GLU 28 HG2 GLU 28 108.377 -10.555 3.094 223 HG3 GLU 28 HG1 GLU 28 106.813 -10.334 2.307 224 HA PRO 29 HA PRO 29 109.971 -4.168 1.878 225 HB2 PRO 29 HB2 PRO 29 112.788 -4.837 1.652 226 HB3 PRO 29 HB1 PRO 29 111.973 -3.872 2.894 227 HG2 PRO 29 HG2 PRO 29 113.042 -6.508 3.108 228 HG3 PRO 29 HG1 PRO 29 112.235 -5.553 4.356 229 HD2 PRO 29 HD2 PRO 29 111.175 -7.876 2.984 230 HD3 PRO 29 HD1 PRO 29 110.398 -6.864 4.231 231 H VAL 30 HN VAL 30 110.363 -3.184 -0.122 232 HA VAL 30 HA VAL 30 111.204 -4.940 -2.368 233 HB VAL 30 HB VAL 30 108.833 -3.069 -2.283 234 HG11 VAL 30 HG11 VAL 30 110.308 -4.276 -4.619 235 HG12 VAL 30 HG12 VAL 30 109.742 -2.612 -4.443 236 HG13 VAL 30 HG13 VAL 30 108.585 -3.907 -4.749 237 HG21 VAL 30 HG21 VAL 30 109.181 -6.032 -2.805 238 HG22 VAL 30 HG22 VAL 30 107.665 -5.153 -3.069 239 HG23 VAL 30 HG23 VAL 30 108.353 -5.286 -1.447 240 H ARG 31 HN ARG 31 112.668 -4.083 -3.682 241 HA ARG 31 HA ARG 31 113.131 -1.192 -3.700 242 HB2 ARG 31 HB2 ARG 31 115.578 -1.567 -3.485 243 HB3 ARG 31 HB1 ARG 31 114.696 -2.144 -2.056 244 HG2 ARG 31 HG2 ARG 31 114.768 -4.449 -2.920 245 HG3 ARG 31 HG1 ARG 31 115.595 -3.878 -4.380 246 HD2 ARG 31 HD2 ARG 31 117.430 -2.973 -2.929 247 HD3 ARG 31 HD1 ARG 31 116.638 -3.682 -1.531 248 HE ARG 31 HE ARG 31 117.093 -5.587 -3.611 249 HH11 ARG 31 HH11 ARG 31 118.780 -7.117 -3.228 250 HH12 ARG 31 HH12 ARG 31 119.860 -6.890 -1.890 251 HH21 ARG 31 HH21 ARG 31 118.436 -3.903 -0.876 252 HH22 ARG 31 HH22 ARG 31 119.627 -5.122 -0.549 253 H VAL 32 HN VAL 32 113.751 -0.428 -5.736 254 HA VAL 32 HA VAL 32 114.296 -2.451 -7.861 255 HB VAL 32 HB VAL 32 111.833 -1.541 -7.706 256 HG11 VAL 32 HG11 VAL 32 111.382 0.599 -8.672 257 HG12 VAL 32 HG12 VAL 32 113.032 0.794 -9.234 258 HG13 VAL 32 HG13 VAL 32 112.671 0.885 -7.521 259 HG21 VAL 32 HG21 VAL 32 112.433 -2.847 -9.579 260 HG22 VAL 32 HG22 VAL 32 113.565 -1.658 -10.187 261 HG23 VAL 32 HG23 VAL 32 111.846 -1.366 -10.292 262 H LEU 33 HN LEU 33 115.318 -1.531 -9.777 263 HA LEU 33 HA LEU 33 117.128 0.656 -9.040 264 HB2 LEU 33 HB2 LEU 33 117.161 -1.530 -11.139 265 HB3 LEU 33 HB1 LEU 33 118.264 -0.168 -11.243 266 HG LEU 33 HG LEU 33 119.095 -0.648 -8.988 267 HD11 LEU 33 HD11 LEU 33 118.442 -3.051 -8.117 268 HD12 LEU 33 HD12 LEU 33 117.009 -2.868 -9.158 269 HD13 LEU 33 HD13 LEU 33 117.316 -1.719 -7.846 270 HD21 LEU 33 HD21 LEU 33 120.200 -1.605 -10.944 271 HD22 LEU 33 HD22 LEU 33 119.175 -3.022 -10.882 272 HD23 LEU 33 HD23 LEU 33 120.324 -2.695 -9.577 273 H GLU 34 HN GLU 34 117.003 2.615 -9.967 274 HA GLU 34 HA GLU 34 114.903 3.745 -11.224 275 HB2 GLU 34 HB2 GLU 34 116.963 4.973 -10.521 276 HB3 GLU 34 HB1 GLU 34 117.735 4.403 -12.011 277 HG2 GLU 34 HG2 GLU 34 115.942 5.503 -13.339 278 HG3 GLU 34 HG1 GLU 34 115.182 6.039 -11.837 279 H GLY 35 HN GLY 35 113.848 3.588 -13.108 280 HA2 GLY 35 HA2 GLY 35 113.977 3.575 -15.570 281 HA3 GLY 35 HA1 GLY 35 115.326 2.439 -15.451 282 H GLU 36 HN GLU 36 113.073 1.731 -13.073 283 HA GLU 36 HA GLU 36 111.676 -0.255 -14.813 284 HB2 GLU 36 HB2 GLU 36 113.003 -0.550 -12.118 285 HB3 GLU 36 HB1 GLU 36 111.775 -1.683 -12.677 286 HG2 GLU 36 HG2 GLU 36 114.223 -1.002 -14.292 287 HG3 GLU 36 HG1 GLU 36 114.159 -2.375 -13.187 288 H THR 37 HN THR 37 109.577 -0.564 -14.503 289 HA THR 37 HA THR 37 108.196 1.386 -12.794 290 HB THR 37 HB THR 37 106.235 0.811 -14.049 291 HG1 THR 37 HG1 THR 37 106.977 -0.938 -15.805 292 HG21 THR 37 HG21 THR 37 106.926 1.457 -16.266 293 HG22 THR 37 HG22 THR 37 108.523 0.700 -16.038 294 HG23 THR 37 HG23 THR 37 108.105 2.177 -15.162 295 H ALA 38 HN ALA 38 107.011 0.876 -11.022 296 HA ALA 38 HA ALA 38 107.027 -1.967 -10.127 297 HB1 ALA 38 HB1 ALA 38 107.003 0.382 -8.213 298 HB2 ALA 38 HB2 ALA 38 108.519 -0.222 -8.879 299 HB3 ALA 38 HB3 ALA 38 107.473 -1.278 -7.924 300 H ARG 39 HN ARG 39 105.340 -2.471 -8.543 301 HA ARG 39 HA ARG 39 102.887 -0.847 -8.768 302 HB2 ARG 39 HB2 ARG 39 103.014 -3.846 -9.236 303 HB3 ARG 39 HB1 ARG 39 101.543 -2.872 -9.139 304 HG2 ARG 39 HG2 ARG 39 102.275 -1.541 -11.079 305 HG3 ARG 39 HG1 ARG 39 103.786 -2.422 -11.140 306 HD2 ARG 39 HD2 ARG 39 102.319 -3.373 -12.781 307 HD3 ARG 39 HD1 ARG 39 102.487 -4.531 -11.475 308 HE ARG 39 HE ARG 39 100.218 -2.883 -11.045 309 HH11 ARG 39 HH11 ARG 39 101.368 -5.883 -12.227 310 HH12 ARG 39 HH12 ARG 39 99.824 -6.395 -12.845 311 HH21 ARG 39 HH21 ARG 39 98.224 -3.395 -12.207 312 HH22 ARG 39 HH22 ARG 39 98.071 -5.009 -12.830 313 H PHE 40 HN PHE 40 101.804 -0.640 -6.892 314 HA PHE 40 HA PHE 40 102.210 -2.601 -4.722 315 HB2 PHE 40 HB2 PHE 40 102.375 0.416 -4.384 316 HB3 PHE 40 HB1 PHE 40 102.388 -0.766 -3.072 317 HD1 PHE 40 HD1 PHE 40 104.428 1.141 -5.312 318 HD2 PHE 40 HD2 PHE 40 104.254 -2.629 -3.241 319 HE1 PHE 40 HE1 PHE 40 106.888 0.909 -5.512 320 HE2 PHE 40 HE2 PHE 40 106.711 -2.872 -3.437 321 HZ PHE 40 HZ PHE 40 108.015 -1.108 -4.590 322 H ARG 41 HN ARG 41 100.344 -2.909 -3.457 323 HA ARG 41 HA ARG 41 98.003 -1.191 -4.100 324 HB2 ARG 41 HB2 ARG 41 96.595 -3.198 -4.192 325 HB3 ARG 41 HB1 ARG 41 97.849 -3.289 -5.420 326 HG2 ARG 41 HG2 ARG 41 99.197 -4.747 -3.979 327 HG3 ARG 41 HG1 ARG 41 97.977 -4.649 -2.707 328 HD2 ARG 41 HD2 ARG 41 96.304 -5.657 -4.268 329 HD3 ARG 41 HD1 ARG 41 97.573 -5.849 -5.497 330 HE ARG 41 HE ARG 41 98.464 -7.058 -3.149 331 HH11 ARG 41 HH11 ARG 41 98.776 -9.027 -4.939 332 HH12 ARG 41 HH12 ARG 41 97.352 -9.995 -4.935 333 HH21 ARG 41 HH21 ARG 41 95.394 -7.613 -3.413 334 HH22 ARG 41 HH22 ARG 41 95.426 -9.212 -4.076 335 H CYS 42 HN CYS 42 96.534 -0.916 -2.460 336 HA CYS 42 HA CYS 42 97.015 -2.298 0.119 337 HB2 CYS 42 HB2 CYS 42 98.448 -0.336 0.268 338 HB3 CYS 42 HB1 CYS 42 97.135 0.702 -0.218 339 HG CYS 42 HG CYS 42 95.877 -0.264 2.006 340 H ARG 43 HN ARG 43 95.159 -2.953 0.839 341 HA ARG 43 HA ARG 43 92.746 -1.266 0.497 342 HB2 ARG 43 HB2 ARG 43 92.976 -4.230 -0.001 343 HB3 ARG 43 HB1 ARG 43 91.451 -3.404 0.216 344 HG2 ARG 43 HG2 ARG 43 91.901 -1.978 -1.717 345 HG3 ARG 43 HG1 ARG 43 93.520 -2.705 -1.883 346 HD2 ARG 43 HD2 ARG 43 92.011 -3.793 -3.452 347 HD3 ARG 43 HD1 ARG 43 92.452 -4.920 -2.179 348 HE ARG 43 HE ARG 43 89.924 -3.440 -1.857 349 HH11 ARG 43 HH11 ARG 43 90.650 -5.916 -0.298 350 HH12 ARG 43 HH12 ARG 43 89.681 -7.123 -1.079 351 HH21 ARG 43 HH21 ARG 43 89.081 -5.235 -3.899 352 HH22 ARG 43 HH22 ARG 43 88.886 -6.775 -3.108 353 H VAL 44 HN VAL 44 90.945 -2.155 2.025 354 HA VAL 44 HA VAL 44 91.882 -3.452 4.392 355 HB VAL 44 HB VAL 44 91.106 -0.505 4.453 356 HG11 VAL 44 HG11 VAL 44 90.021 -1.540 6.323 357 HG12 VAL 44 HG12 VAL 44 91.514 -0.858 6.958 358 HG13 VAL 44 HG13 VAL 44 91.409 -2.562 6.646 359 HG21 VAL 44 HG21 VAL 44 93.459 -0.692 3.984 360 HG22 VAL 44 HG22 VAL 44 93.642 -2.020 5.177 361 HG23 VAL 44 HG23 VAL 44 93.314 -0.359 5.722 362 H THR 45 HN THR 45 90.132 -4.912 4.221 363 HA THR 45 HA THR 45 87.427 -3.678 4.221 364 HB THR 45 HB THR 45 88.246 -6.313 2.984 365 HG1 THR 45 HG1 THR 45 88.622 -3.893 2.076 366 HG21 THR 45 HG21 THR 45 85.933 -6.340 3.732 367 HG22 THR 45 HG22 THR 45 85.936 -6.129 1.978 368 HG23 THR 45 HG23 THR 45 85.635 -4.746 3.024 369 H GLY 46 HN GLY 46 86.175 -4.142 5.821 370 HA2 GLY 46 HA2 GLY 46 85.887 -6.633 7.069 371 HA3 GLY 46 HA1 GLY 46 87.040 -5.712 8.015 372 H TYR 47 HN TYR 47 85.774 -3.149 7.231 373 HA TYR 47 HA TYR 47 83.220 -3.289 8.669 374 HB2 TYR 47 HB2 TYR 47 85.226 -2.619 10.182 375 HB3 TYR 47 HB1 TYR 47 85.254 -1.129 9.267 376 HD1 TYR 47 HD1 TYR 47 83.359 -3.167 11.654 377 HD2 TYR 47 HD2 TYR 47 83.421 0.504 9.407 378 HE1 TYR 47 HE1 TYR 47 81.500 -2.285 13.030 379 HE2 TYR 47 HE2 TYR 47 81.593 1.392 10.809 380 HH TYR 47 HH TYR 47 80.789 0.597 13.519 381 HA PRO 48 HA PRO 48 82.033 -0.869 5.151 382 HB2 PRO 48 HB2 PRO 48 80.166 0.822 6.603 383 HB3 PRO 48 HB1 PRO 48 79.815 -0.534 5.522 384 HG2 PRO 48 HG2 PRO 48 79.741 -0.459 8.411 385 HG3 PRO 48 HG1 PRO 48 79.182 -1.728 7.298 386 HD2 PRO 48 HD2 PRO 48 81.444 -1.856 9.015 387 HD3 PRO 48 HD1 PRO 48 81.070 -2.980 7.690 388 H GLN 49 HN GLN 49 82.645 1.030 4.198 389 HA GLN 49 HA GLN 49 84.083 2.853 3.972 390 HB2 GLN 49 HB2 GLN 49 82.136 3.800 6.069 391 HB3 GLN 49 HB1 GLN 49 83.194 4.845 5.106 392 HG2 GLN 49 HG2 GLN 49 81.130 4.858 3.935 393 HG3 GLN 49 HG1 GLN 49 82.152 3.740 3.039 394 HE21 GLN 49 HE21 GLN 49 80.909 1.925 2.447 395 HE22 GLN 49 HE22 GLN 49 79.748 1.187 3.403 396 HA PRO 50 HA PRO 50 86.575 2.219 7.861 397 HB2 PRO 50 HB2 PRO 50 88.781 1.341 6.217 398 HB3 PRO 50 HB1 PRO 50 87.857 0.408 7.405 399 HG2 PRO 50 HG2 PRO 50 87.827 -0.007 4.654 400 HG3 PRO 50 HG1 PRO 50 86.569 -0.566 5.770 401 HD2 PRO 50 HD2 PRO 50 86.544 1.812 3.967 402 HD3 PRO 50 HD1 PRO 50 85.205 0.765 4.477 403 H LYS 51 HN LYS 51 88.352 3.545 8.574 404 HA LYS 51 HA LYS 51 88.941 5.830 6.786 405 HB2 LYS 51 HB2 LYS 51 89.345 5.491 9.791 406 HB3 LYS 51 HB1 LYS 51 89.681 6.953 8.882 407 HG2 LYS 51 HG2 LYS 51 87.323 7.044 8.152 408 HG3 LYS 51 HG1 LYS 51 86.981 5.604 9.118 409 HD2 LYS 51 HD2 LYS 51 87.574 6.792 11.173 410 HD3 LYS 51 HD1 LYS 51 88.056 8.219 10.250 411 HE2 LYS 51 HE2 LYS 51 85.881 8.756 10.925 412 HE3 LYS 51 HE1 LYS 51 85.635 8.122 9.306 413 HZ1 LYS 51 HZ1 LYS 51 85.539 6.308 11.622 414 HZ2 LYS 51 HZ2 LYS 51 84.799 6.130 10.106 415 HZ3 LYS 51 HZ3 LYS 51 84.182 7.250 11.232 416 H VAL 52 HN VAL 52 91.025 6.229 6.065 417 HA VAL 52 HA VAL 52 93.240 4.762 7.295 418 HB VAL 52 HB VAL 52 93.946 3.573 5.437 419 HG11 VAL 52 HG11 VAL 52 91.933 2.586 6.410 420 HG12 VAL 52 HG12 VAL 52 92.018 2.239 4.686 421 HG13 VAL 52 HG13 VAL 52 90.910 3.483 5.284 422 HG21 VAL 52 HG21 VAL 52 92.169 5.389 3.811 423 HG22 VAL 52 HG22 VAL 52 92.866 3.899 3.157 424 HG23 VAL 52 HG23 VAL 52 93.919 5.177 3.713 425 H ASN 53 HN ASN 53 95.342 5.337 6.337 426 HA ASN 53 HA ASN 53 95.453 7.918 4.954 427 HB2 ASN 53 HB2 ASN 53 96.598 7.408 7.711 428 HB3 ASN 53 HB1 ASN 53 97.169 8.716 6.664 429 HD21 ASN 53 HD21 ASN 53 95.893 9.109 9.242 430 HD22 ASN 53 HD22 ASN 53 94.433 9.935 8.987 431 H TRP 54 HN TRP 54 97.205 8.047 3.558 432 HA TRP 54 HA TRP 54 99.123 5.743 3.758 433 HB2 TRP 54 HB2 TRP 54 99.279 7.262 1.231 434 HB3 TRP 54 HB1 TRP 54 99.142 5.538 1.494 435 HD1 TRP 54 HD1 TRP 54 96.481 4.725 2.115 436 HE1 TRP 54 HE1 TRP 54 94.363 5.503 0.943 437 HE3 TRP 54 HE3 TRP 54 98.174 9.087 0.090 438 HZ2 TRP 54 HZ2 TRP 54 93.450 7.702 -0.652 439 HZ3 TRP 54 HZ3 TRP 54 96.653 10.490 -1.259 440 HH2 TRP 54 HH2 TRP 54 94.304 9.830 -1.631 441 H TYR 55 HN TYR 55 101.181 6.014 3.912 442 HA TYR 55 HA TYR 55 102.279 8.789 3.957 443 HB2 TYR 55 HB2 TYR 55 103.081 6.398 5.630 444 HB3 TYR 55 HB1 TYR 55 103.821 7.994 5.683 445 HD1 TYR 55 HD1 TYR 55 102.792 9.890 6.780 446 HD2 TYR 55 HD2 TYR 55 100.746 6.129 6.476 447 HE1 TYR 55 HE1 TYR 55 101.106 10.623 8.467 448 HE2 TYR 55 HE2 TYR 55 99.045 6.895 8.110 449 HH TYR 55 HH TYR 55 98.747 10.139 9.027 450 H LEU 56 HN LEU 56 103.209 8.779 1.924 451 HA LEU 56 HA LEU 56 104.810 6.488 1.065 452 HB2 LEU 56 HB2 LEU 56 103.904 9.041 -0.312 453 HB3 LEU 56 HB1 LEU 56 105.070 7.964 -1.043 454 HG LEU 56 HG LEU 56 103.273 6.124 -0.563 455 HD11 LEU 56 HD11 LEU 56 101.639 8.655 -0.454 456 HD12 LEU 56 HD12 LEU 56 101.712 7.382 0.752 457 HD13 LEU 56 HD13 LEU 56 100.939 7.097 -0.802 458 HD21 LEU 56 HD21 LEU 56 103.838 6.495 -2.769 459 HD22 LEU 56 HD22 LEU 56 103.282 8.173 -2.754 460 HD23 LEU 56 HD23 LEU 56 102.109 6.849 -2.758 461 H ASN 57 HN ASN 57 107.080 6.491 0.934 462 HA ASN 57 HA ASN 57 109.172 7.132 1.490 463 HB2 ASN 57 HB2 ASN 57 108.080 9.779 0.506 464 HB3 ASN 57 HB1 ASN 57 109.792 9.459 0.812 465 HD21 ASN 57 HD21 ASN 57 109.672 6.684 -0.187 466 HD22 ASN 57 HD22 ASN 57 109.464 6.772 -1.865 467 H GLY 58 HN GLY 58 106.642 7.908 3.332 468 HA2 GLY 58 HA2 GLY 58 106.768 8.287 5.666 469 HA3 GLY 58 HA1 GLY 58 108.280 9.143 5.422 470 H GLN 59 HN GLN 59 105.675 9.815 3.270 471 HA GLN 59 HA GLN 59 105.056 12.344 4.690 472 HB2 GLN 59 HB2 GLN 59 105.463 11.923 1.723 473 HB3 GLN 59 HB1 GLN 59 104.794 13.379 2.451 474 HG2 GLN 59 HG2 GLN 59 106.849 13.749 3.717 475 HG3 GLN 59 HG1 GLN 59 107.528 12.238 3.113 476 HE21 GLN 59 HE21 GLN 59 109.003 14.422 2.629 477 HE22 GLN 59 HE22 GLN 59 108.850 14.961 1.016 478 H LEU 60 HN LEU 60 102.912 12.691 5.066 479 HA LEU 60 HA LEU 60 100.996 10.768 4.303 480 HB2 LEU 60 HB2 LEU 60 100.923 11.760 6.480 481 HB3 LEU 60 HB1 LEU 60 100.888 13.391 5.798 482 HG LEU 60 HG LEU 60 98.646 12.830 4.765 483 HD11 LEU 60 HD11 LEU 60 97.467 10.845 5.866 484 HD12 LEU 60 HD12 LEU 60 99.076 10.307 6.371 485 HD13 LEU 60 HD13 LEU 60 98.697 10.430 4.673 486 HD21 LEU 60 HD21 LEU 60 98.740 12.472 7.775 487 HD22 LEU 60 HD22 LEU 60 97.411 13.122 6.822 488 HD23 LEU 60 HD23 LEU 60 98.920 14.032 6.960 489 H ILE 61 HN ILE 61 99.038 11.169 3.137 490 HA ILE 61 HA ILE 61 97.796 11.808 1.411 491 HB ILE 61 HB ILE 61 97.140 13.703 2.668 492 HG12 ILE 61 HG12 ILE 61 96.627 15.344 0.936 493 HG13 ILE 61 HG11 ILE 61 97.928 14.724 -0.066 494 HG21 ILE 61 HG21 ILE 61 98.319 15.885 2.522 495 HG22 ILE 61 HG22 ILE 61 99.667 15.059 1.763 496 HG23 ILE 61 HG23 ILE 61 99.209 14.674 3.434 497 HD11 ILE 61 HD11 ILE 61 96.798 12.705 -0.522 498 HD12 ILE 61 HD12 ILE 61 95.496 13.908 -0.546 499 HD13 ILE 61 HD13 ILE 61 95.712 12.898 0.860 500 H ARG 62 HN ARG 62 98.090 11.271 -0.505 501 HA ARG 62 HA ARG 62 100.452 12.249 -2.009 502 HB2 ARG 62 HB2 ARG 62 99.705 9.642 -1.541 503 HB3 ARG 62 HB1 ARG 62 98.952 9.950 -3.124 504 HG2 ARG 62 HG2 ARG 62 101.879 10.460 -2.448 505 HG3 ARG 62 HG1 ARG 62 101.277 9.042 -3.284 506 HD2 ARG 62 HD2 ARG 62 100.314 10.569 -5.059 507 HD3 ARG 62 HD1 ARG 62 101.113 11.918 -4.249 508 HE ARG 62 HE ARG 62 102.425 9.742 -5.723 509 HH11 ARG 62 HH11 ARG 62 102.457 12.988 -5.652 510 HH12 ARG 62 HH12 ARG 62 104.144 13.203 -5.363 511 HH21 ARG 62 HH21 ARG 62 104.731 9.899 -4.570 512 HH22 ARG 62 HH22 ARG 62 105.421 11.472 -4.750 513 H LYS 63 HN LYS 63 100.047 13.290 -3.928 514 HA LYS 63 HA LYS 63 97.757 14.732 -4.240 515 HB2 LYS 63 HB2 LYS 63 99.613 13.866 -6.470 516 HB3 LYS 63 HB1 LYS 63 98.473 15.227 -6.509 517 HG2 LYS 63 HG2 LYS 63 100.549 15.049 -4.332 518 HG3 LYS 63 HG1 LYS 63 100.976 15.712 -5.911 519 HD2 LYS 63 HD2 LYS 63 99.483 17.541 -5.713 520 HD3 LYS 63 HD1 LYS 63 98.551 16.787 -4.424 521 HE2 LYS 63 HE2 LYS 63 100.344 17.038 -2.833 522 HE3 LYS 63 HE1 LYS 63 101.445 17.569 -4.119 523 HZ1 LYS 63 HZ1 LYS 63 99.725 19.122 -2.540 524 HZ2 LYS 63 HZ2 LYS 63 99.178 19.213 -4.153 525 HZ3 LYS 63 HZ3 LYS 63 100.784 19.626 -3.769 526 H SER 64 HN SER 64 96.010 14.706 -5.688 527 HA SER 64 HA SER 64 94.765 12.137 -5.882 528 HB2 SER 64 HB2 SER 64 93.859 14.783 -7.042 529 HB3 SER 64 HB1 SER 64 92.862 13.328 -6.810 530 HG SER 64 HG SER 64 93.661 13.566 -4.511 531 H LYS 65 HN LYS 65 93.458 13.187 -8.451 532 HA LYS 65 HA LYS 65 93.732 11.558 -10.344 533 HB2 LYS 65 HB2 LYS 65 94.266 14.504 -10.740 534 HB3 LYS 65 HB1 LYS 65 93.897 13.378 -12.050 535 HG2 LYS 65 HG2 LYS 65 91.764 12.813 -10.988 536 HG3 LYS 65 HG1 LYS 65 92.130 13.856 -9.621 537 HD2 LYS 65 HD2 LYS 65 92.259 15.782 -11.260 538 HD3 LYS 65 HD1 LYS 65 91.678 14.673 -12.508 539 HE2 LYS 65 HE2 LYS 65 90.200 15.230 -9.923 540 HE3 LYS 65 HE1 LYS 65 89.840 16.011 -11.468 541 HZ1 LYS 65 HZ1 LYS 65 89.541 13.172 -10.719 542 HZ2 LYS 65 HZ2 LYS 65 89.660 13.626 -12.347 543 HZ3 LYS 65 HZ3 LYS 65 88.382 14.214 -11.380 544 H ARG 66 HN ARG 66 96.665 13.484 -9.504 545 HA ARG 66 HA ARG 66 98.259 12.613 -11.671 546 HB2 ARG 66 HB2 ARG 66 98.951 13.488 -8.869 547 HB3 ARG 66 HB1 ARG 66 100.148 13.149 -10.092 548 HG2 ARG 66 HG2 ARG 66 99.194 14.830 -11.582 549 HG3 ARG 66 HG1 ARG 66 97.920 15.182 -10.400 550 HD2 ARG 66 HD2 ARG 66 99.607 15.936 -8.803 551 HD3 ARG 66 HD1 ARG 66 100.900 15.487 -9.918 552 HE ARG 66 HE ARG 66 99.160 17.817 -10.110 553 HH11 ARG 66 HH11 ARG 66 98.996 18.354 -12.474 554 HH12 ARG 66 HH12 ARG 66 100.483 18.279 -13.368 555 HH21 ARG 66 HH21 ARG 66 102.157 16.530 -10.894 556 HH22 ARG 66 HH22 ARG 66 102.272 17.257 -12.464 557 H PHE 67 HN PHE 67 97.507 11.238 -8.544 558 HA PHE 67 HA PHE 67 98.802 8.699 -9.308 559 HB2 PHE 67 HB2 PHE 67 98.631 10.029 -6.591 560 HB3 PHE 67 HB1 PHE 67 99.036 8.326 -6.817 561 HD1 PHE 67 HD1 PHE 67 100.179 11.796 -7.431 562 HD2 PHE 67 HD2 PHE 67 101.111 7.601 -7.802 563 HE1 PHE 67 HE1 PHE 67 102.515 12.363 -7.983 564 HE2 PHE 67 HE2 PHE 67 103.458 8.199 -8.325 565 HZ PHE 67 HZ PHE 67 104.157 10.572 -8.449 566 H ARG 68 HN ARG 68 97.658 6.786 -8.761 567 HA ARG 68 HA ARG 68 94.812 7.107 -8.816 568 HB2 ARG 68 HB2 ARG 68 96.603 4.673 -8.565 569 HB3 ARG 68 HB1 ARG 68 94.868 4.571 -8.729 570 HG2 ARG 68 HG2 ARG 68 95.027 5.836 -10.868 571 HG3 ARG 68 HG1 ARG 68 96.772 5.820 -10.721 572 HD2 ARG 68 HD2 ARG 68 96.787 3.356 -10.722 573 HD3 ARG 68 HD1 ARG 68 95.028 3.332 -10.850 574 HE ARG 68 HE ARG 68 96.918 3.977 -12.984 575 HH11 ARG 68 HH11 ARG 68 94.691 6.014 -13.107 576 HH12 ARG 68 HH12 ARG 68 93.522 5.229 -14.114 577 HH21 ARG 68 HH21 ARG 68 94.963 2.099 -13.799 578 HH22 ARG 68 HH22 ARG 68 93.694 3.032 -14.513 579 H VAL 69 HN VAL 69 93.706 7.690 -7.063 580 HA VAL 69 HA VAL 69 94.001 6.111 -4.582 581 HB VAL 69 HB VAL 69 93.977 8.093 -3.153 582 HG11 VAL 69 HG11 VAL 69 96.316 8.424 -5.027 583 HG12 VAL 69 HG12 VAL 69 96.121 6.980 -4.033 584 HG13 VAL 69 HG13 VAL 69 96.273 8.559 -3.271 585 HG21 VAL 69 HG21 VAL 69 94.745 10.285 -4.473 586 HG22 VAL 69 HG22 VAL 69 93.020 9.858 -4.366 587 HG23 VAL 69 HG23 VAL 69 93.949 9.485 -5.829 588 H ARG 70 HN ARG 70 92.135 5.757 -3.587 589 HA ARG 70 HA ARG 70 89.782 7.401 -4.195 590 HB2 ARG 70 HB2 ARG 70 90.052 4.392 -4.360 591 HB3 ARG 70 HB1 ARG 70 88.487 5.216 -4.216 592 HG2 ARG 70 HG2 ARG 70 88.917 6.470 -6.296 593 HG3 ARG 70 HG1 ARG 70 90.523 5.767 -6.394 594 HD2 ARG 70 HD2 ARG 70 89.583 3.515 -6.687 595 HD3 ARG 70 HD1 ARG 70 87.938 4.151 -6.436 596 HE ARG 70 HE ARG 70 88.923 5.549 -8.601 597 HH11 ARG 70 HH11 ARG 70 87.897 2.404 -7.689 598 HH12 ARG 70 HH12 ARG 70 87.789 1.819 -9.315 599 HH21 ARG 70 HH21 ARG 70 88.955 4.717 -10.761 600 HH22 ARG 70 HH22 ARG 70 88.404 3.092 -11.008 601 H TYR 71 HN TYR 71 89.559 8.372 -2.202 602 HA TYR 71 HA TYR 71 90.219 6.950 0.195 603 HB2 TYR 71 HB2 TYR 71 88.403 9.350 0.356 604 HB3 TYR 71 HB1 TYR 71 89.782 8.926 1.337 605 HD1 TYR 71 HD1 TYR 71 91.911 9.985 0.899 606 HD2 TYR 71 HD2 TYR 71 88.837 10.028 -2.106 607 HE1 TYR 71 HE1 TYR 71 93.258 11.530 -0.447 608 HE2 TYR 71 HE2 TYR 71 90.205 11.578 -3.458 609 HH TYR 71 HH TYR 71 93.407 12.057 -3.028 610 H ASP 72 HN ASP 72 88.987 5.014 0.054 611 HA ASP 72 HA ASP 72 86.437 5.102 1.341 612 HB2 ASP 72 HB2 ASP 72 85.166 4.052 -0.463 613 HB3 ASP 72 HB1 ASP 72 85.741 5.652 -0.952 614 H GLY 73 HN GLY 73 89.185 3.934 1.446 615 HA2 GLY 73 HA2 GLY 73 89.809 1.947 2.593 616 HA3 GLY 73 HA1 GLY 73 88.467 1.092 1.810 617 H ILE 74 HN ILE 74 89.324 2.656 -0.749 618 HA ILE 74 HA ILE 74 91.272 0.658 -1.689 619 HB ILE 74 HB ILE 74 89.349 2.459 -3.127 620 HG12 ILE 74 HG12 ILE 74 89.527 -0.565 -2.879 621 HG13 ILE 74 HG11 ILE 74 88.497 0.452 -1.872 622 HG21 ILE 74 HG21 ILE 74 91.550 0.654 -4.135 623 HG22 ILE 74 HG22 ILE 74 91.160 2.299 -4.603 624 HG23 ILE 74 HG23 ILE 74 90.112 0.979 -5.108 625 HD11 ILE 74 HD11 ILE 74 88.389 0.394 -4.871 626 HD12 ILE 74 HD12 ILE 74 87.294 1.261 -3.816 627 HD13 ILE 74 HD13 ILE 74 87.287 -0.507 -3.842 628 H HIS 75 HN HIS 75 93.304 1.264 -1.763 629 HA HIS 75 HA HIS 75 94.038 3.919 -2.790 630 HB2 HIS 75 HB2 HIS 75 94.180 4.391 -0.519 631 HB3 HIS 75 HB1 HIS 75 94.628 2.748 -0.112 632 HD1 HIS 75 HD1 HIS 75 97.006 2.441 0.526 633 HD2 HIS 75 HD2 HIS 75 96.469 5.669 -2.089 634 HE1 HIS 75 HE1 HIS 75 99.272 3.514 0.196 635 H TYR 76 HN TYR 76 95.014 3.303 -4.633 636 HA TYR 76 HA TYR 76 97.024 1.127 -4.594 637 HB2 TYR 76 HB2 TYR 76 95.698 2.491 -6.937 638 HB3 TYR 76 HB1 TYR 76 96.833 1.155 -7.040 639 HD1 TYR 76 HD1 TYR 76 96.114 -0.901 -5.378 640 HD2 TYR 76 HD2 TYR 76 93.447 2.004 -7.130 641 HE1 TYR 76 HE1 TYR 76 94.217 -2.448 -5.121 642 HE2 TYR 76 HE2 TYR 76 91.551 0.421 -6.874 643 HH TYR 76 HH TYR 76 91.247 -2.027 -6.674 644 H LEU 77 HN LEU 77 99.154 1.604 -4.696 645 HA LEU 77 HA LEU 77 99.953 4.327 -5.608 646 HB2 LEU 77 HB2 LEU 77 101.444 2.435 -3.753 647 HB3 LEU 77 HB1 LEU 77 101.986 4.034 -4.238 648 HG LEU 77 HG LEU 77 99.462 3.369 -2.659 649 HD11 LEU 77 HD11 LEU 77 101.268 3.187 -1.165 650 HD12 LEU 77 HD12 LEU 77 100.755 4.849 -0.950 651 HD13 LEU 77 HD13 LEU 77 102.181 4.484 -1.933 652 HD21 LEU 77 HD21 LEU 77 100.425 5.861 -4.013 653 HD22 LEU 77 HD22 LEU 77 99.719 6.038 -2.425 654 HD23 LEU 77 HD23 LEU 77 98.786 5.301 -3.710 655 H ASP 78 HN ASP 78 100.439 4.187 -7.692 656 HA ASP 78 HA ASP 78 102.196 1.965 -8.611 657 HB2 ASP 78 HB2 ASP 78 101.203 2.322 -10.813 658 HB3 ASP 78 HB1 ASP 78 99.954 1.973 -9.628 659 H ILE 79 HN ILE 79 103.990 2.435 -9.792 660 HA ILE 79 HA ILE 79 104.648 5.280 -10.351 661 HB ILE 79 HB ILE 79 107.063 4.706 -9.809 662 HG12 ILE 79 HG12 ILE 79 105.796 2.342 -8.361 663 HG13 ILE 79 HG11 ILE 79 106.715 2.224 -9.857 664 HG21 ILE 79 HG21 ILE 79 106.717 5.033 -7.381 665 HG22 ILE 79 HG22 ILE 79 105.059 4.473 -7.537 666 HG23 ILE 79 HG23 ILE 79 105.551 5.972 -8.296 667 HD11 ILE 79 HD11 ILE 79 108.626 2.138 -8.702 668 HD12 ILE 79 HD12 ILE 79 107.765 2.373 -7.183 669 HD13 ILE 79 HD13 ILE 79 108.340 3.782 -8.113 670 H VAL 80 HN VAL 80 106.439 5.413 -12.012 671 HA VAL 80 HA VAL 80 106.451 3.152 -13.872 672 HB VAL 80 HB VAL 80 106.006 4.732 -15.718 673 HG11 VAL 80 HG11 VAL 80 104.234 3.323 -14.712 674 HG12 VAL 80 HG12 VAL 80 103.592 4.860 -15.310 675 HG13 VAL 80 HG13 VAL 80 103.863 4.627 -13.577 676 HG21 VAL 80 HG21 VAL 80 106.632 6.841 -14.663 677 HG22 VAL 80 HG22 VAL 80 105.420 6.603 -13.407 678 HG23 VAL 80 HG23 VAL 80 104.905 6.908 -15.060 679 H ASP 81 HN ASP 81 107.809 4.300 -15.903 680 HA ASP 81 HA ASP 81 110.452 4.588 -14.775 681 HB2 ASP 81 HB2 ASP 81 111.193 4.560 -17.098 682 HB3 ASP 81 HB1 ASP 81 110.109 3.183 -16.772 683 H CYS 82 HN CYS 82 109.149 6.701 -13.831 684 HA CYS 82 HA CYS 82 109.865 8.977 -15.567 685 HB2 CYS 82 HB2 CYS 82 107.551 9.136 -15.025 686 HB3 CYS 82 HB1 CYS 82 107.856 8.687 -13.344 687 HG CYS 82 HG CYS 82 107.882 11.208 -13.072 688 H LYS 83 HN LYS 83 109.436 8.558 -12.107 689 HA LYS 83 HA LYS 83 112.265 9.275 -11.597 690 HB2 LYS 83 HB2 LYS 83 111.617 10.806 -9.847 691 HB3 LYS 83 HB1 LYS 83 110.852 11.320 -11.353 692 HG2 LYS 83 HG2 LYS 83 108.739 10.135 -10.619 693 HG3 LYS 83 HG1 LYS 83 109.537 9.769 -9.075 694 HD2 LYS 83 HD2 LYS 83 109.796 12.149 -8.635 695 HD3 LYS 83 HD1 LYS 83 109.055 12.550 -10.188 696 HE2 LYS 83 HE2 LYS 83 106.985 11.466 -9.496 697 HE3 LYS 83 HE1 LYS 83 107.695 10.988 -7.969 698 HZ1 LYS 83 HZ1 LYS 83 106.353 13.313 -8.469 699 HZ2 LYS 83 HZ2 LYS 83 107.978 13.794 -8.505 700 HZ3 LYS 83 HZ3 LYS 83 107.347 13.033 -7.134 701 H SER 84 HN SER 84 113.183 7.842 -10.188 702 HA SER 84 HA SER 84 111.493 6.458 -8.248 703 HB2 SER 84 HB2 SER 84 113.345 4.736 -9.827 704 HB3 SER 84 HB1 SER 84 111.739 4.396 -9.169 705 HG SER 84 HG SER 84 111.504 4.576 -11.365 706 H TYR 85 HN TYR 85 114.757 7.113 -9.508 707 HA TYR 85 HA TYR 85 116.336 5.934 -7.591 708 HB2 TYR 85 HB2 TYR 85 118.100 7.241 -8.376 709 HB3 TYR 85 HB1 TYR 85 116.998 7.158 -9.737 710 HD1 TYR 85 HD1 TYR 85 119.181 9.317 -8.365 711 HD2 TYR 85 HD2 TYR 85 114.943 9.163 -9.154 712 HE1 TYR 85 HE1 TYR 85 119.067 11.804 -8.397 713 HE2 TYR 85 HE2 TYR 85 114.854 11.622 -9.198 714 HH TYR 85 HH TYR 85 116.532 13.491 -9.710 715 H ASP 86 HN ASP 86 114.628 6.439 -5.728 716 HA ASP 86 HA ASP 86 115.946 8.398 -4.027 717 HB2 ASP 86 HB2 ASP 86 114.259 9.750 -5.224 718 HB3 ASP 86 HB1 ASP 86 113.001 8.644 -4.688 719 H THR 87 HN THR 87 116.275 7.156 -2.240 720 HA THR 87 HA THR 87 114.463 4.971 -1.635 721 HB THR 87 HB THR 87 116.109 4.257 -0.034 722 HG1 THR 87 HG1 THR 87 117.199 6.878 -0.298 723 HG21 THR 87 HG21 THR 87 117.785 5.627 -2.136 724 HG22 THR 87 HG22 THR 87 116.722 4.273 -2.576 725 HG23 THR 87 HG23 THR 87 118.027 4.050 -1.376 726 H GLY 88 HN GLY 88 112.839 4.940 -0.124 727 HA2 GLY 88 HA2 GLY 88 112.811 6.958 2.008 728 HA3 GLY 88 HA1 GLY 88 111.440 6.950 0.899 729 H GLU 89 HN GLU 89 110.099 6.485 2.739 730 HA GLU 89 HA GLU 89 110.022 3.604 3.406 731 HB2 GLU 89 HB2 GLU 89 109.583 4.095 5.743 732 HB3 GLU 89 HB1 GLU 89 111.138 4.803 5.273 733 HG2 GLU 89 HG2 GLU 89 109.927 6.998 4.922 734 HG3 GLU 89 HG1 GLU 89 108.493 6.247 5.610 735 H VAL 90 HN VAL 90 108.034 2.742 3.406 736 HA VAL 90 HA VAL 90 105.746 4.575 3.074 737 HB VAL 90 HB VAL 90 106.260 1.807 1.969 738 HG11 VAL 90 HG11 VAL 90 103.981 2.228 0.833 739 HG12 VAL 90 HG12 VAL 90 103.736 3.434 2.124 740 HG13 VAL 90 HG13 VAL 90 103.983 1.741 2.525 741 HG21 VAL 90 HG21 VAL 90 105.791 3.116 -0.206 742 HG22 VAL 90 HG22 VAL 90 107.332 3.430 0.590 743 HG23 VAL 90 HG23 VAL 90 106.018 4.562 0.777 744 H LYS 91 HN LYS 91 104.077 4.377 4.484 745 HA LYS 91 HA LYS 91 103.821 2.002 6.152 746 HB2 LYS 91 HB2 LYS 91 105.269 3.584 7.419 747 HB3 LYS 91 HB1 LYS 91 103.994 4.806 7.247 748 HG2 LYS 91 HG2 LYS 91 102.431 3.364 8.510 749 HG3 LYS 91 HG1 LYS 91 103.673 2.114 8.623 750 HD2 LYS 91 HD2 LYS 91 103.837 3.245 10.689 751 HD3 LYS 91 HD1 LYS 91 105.157 3.873 9.727 752 HE2 LYS 91 HE2 LYS 91 103.964 5.914 9.274 753 HE3 LYS 91 HE1 LYS 91 102.451 5.243 9.880 754 HZ1 LYS 91 HZ1 LYS 91 104.792 5.474 11.614 755 HZ2 LYS 91 HZ2 LYS 91 103.168 5.306 12.054 756 HZ3 LYS 91 HZ3 LYS 91 103.738 6.773 11.406 757 H VAL 92 HN VAL 92 101.659 1.626 6.711 758 HA VAL 92 HA VAL 92 99.683 3.716 5.900 759 HB VAL 92 HB VAL 92 99.646 0.744 5.402 760 HG11 VAL 92 HG11 VAL 92 97.312 1.196 4.443 761 HG12 VAL 92 HG12 VAL 92 97.347 2.740 5.314 762 HG13 VAL 92 HG13 VAL 92 97.418 1.224 6.193 763 HG21 VAL 92 HG21 VAL 92 99.498 3.212 3.644 764 HG22 VAL 92 HG22 VAL 92 99.113 1.618 3.068 765 HG23 VAL 92 HG23 VAL 92 100.736 1.956 3.645 766 H THR 93 HN THR 93 98.112 4.181 7.266 767 HA THR 93 HA THR 93 97.827 2.534 9.723 768 HB THR 93 HB THR 93 97.428 4.558 11.000 769 HG1 THR 93 HG1 THR 93 96.791 6.254 10.004 770 HG21 THR 93 HG21 THR 93 99.866 4.962 9.239 771 HG22 THR 93 HG22 THR 93 99.799 3.840 10.604 772 HG23 THR 93 HG23 THR 93 99.649 5.577 10.884 773 H ALA 94 HN ALA 94 95.938 1.562 9.685 774 HA ALA 94 HA ALA 94 93.571 3.073 8.736 775 HB1 ALA 94 HB1 ALA 94 93.961 1.519 6.982 776 HB2 ALA 94 HB2 ALA 94 92.692 0.838 7.970 777 HB3 ALA 94 HB3 ALA 94 94.321 0.222 8.116 778 H GLU 95 HN GLU 95 91.643 2.593 9.822 779 HA GLU 95 HA GLU 95 91.619 0.748 12.004 780 HB2 GLU 95 HB2 GLU 95 91.462 2.440 13.785 781 HB3 GLU 95 HB1 GLU 95 93.011 2.518 12.946 782 HG2 GLU 95 HG2 GLU 95 92.150 4.366 11.555 783 HG3 GLU 95 HG1 GLU 95 90.610 4.310 12.415 784 H ASN 96 HN ASN 96 89.644 0.205 12.559 785 HA ASN 96 HA ASN 96 87.363 1.741 11.485 786 HB2 ASN 96 HB2 ASN 96 87.127 -1.088 12.526 787 HB3 ASN 96 HB1 ASN 96 86.229 -0.278 11.228 788 HD21 ASN 96 HD21 ASN 96 87.671 -2.877 11.105 789 HD22 ASN 96 HD22 ASN 96 88.850 -2.690 9.891 790 HA PRO 97 HA PRO 97 86.006 2.566 15.554 791 HB2 PRO 97 HB2 PRO 97 83.313 1.513 15.419 792 HB3 PRO 97 HB1 PRO 97 83.841 3.202 15.260 793 HG2 PRO 97 HG2 PRO 97 82.784 1.645 13.235 794 HG3 PRO 97 HG1 PRO 97 83.742 3.101 13.000 795 HD2 PRO 97 HD2 PRO 97 84.568 0.273 12.697 796 HD3 PRO 97 HD1 PRO 97 85.167 1.720 11.876 797 H GLU 98 HN GLU 98 85.897 -0.748 14.693 798 HA GLU 98 HA GLU 98 85.477 -1.584 17.484 799 HB2 GLU 98 HB2 GLU 98 84.027 -2.619 15.821 800 HB3 GLU 98 HB1 GLU 98 85.424 -3.156 14.903 801 HG2 GLU 98 HG2 GLU 98 86.121 -4.628 16.707 802 HG3 GLU 98 HG1 GLU 98 84.900 -3.971 17.793 803 H GLY 99 HN GLY 99 88.058 -1.061 15.284 804 HA2 GLY 99 HA2 GLY 99 89.905 -2.151 17.135 805 HA3 GLY 99 HA1 GLY 99 89.767 -3.163 15.689 806 H VAL 100 HN VAL 100 92.187 -2.323 15.959 807 HA VAL 100 HA VAL 100 92.507 -0.222 13.905 808 HB VAL 100 HB VAL 100 92.831 1.024 15.949 809 HG11 VAL 100 HG11 VAL 100 94.782 -1.169 16.788 810 HG12 VAL 100 HG12 VAL 100 93.126 -0.983 17.430 811 HG13 VAL 100 HG13 VAL 100 94.335 0.251 17.732 812 HG21 VAL 100 HG21 VAL 100 95.007 1.853 15.561 813 HG22 VAL 100 HG22 VAL 100 94.611 1.077 14.026 814 HG23 VAL 100 HG23 VAL 100 95.653 0.250 15.178 815 H ILE 101 HN ILE 101 94.039 -0.707 12.435 816 HA ILE 101 HA ILE 101 96.158 -2.611 13.050 817 HB ILE 101 HB ILE 101 95.667 -3.700 10.706 818 HG12 ILE 101 HG12 ILE 101 93.176 -3.890 10.356 819 HG13 ILE 101 HG11 ILE 101 92.948 -2.654 11.563 820 HG21 ILE 101 HG21 ILE 101 94.116 -4.250 13.223 821 HG22 ILE 101 HG22 ILE 101 95.630 -4.994 12.734 822 HG23 ILE 101 HG23 ILE 101 94.148 -5.361 11.844 823 HD11 ILE 101 HD11 ILE 101 93.776 -0.965 10.231 824 HD12 ILE 101 HD12 ILE 101 93.025 -2.004 9.043 825 HD13 ILE 101 HD13 ILE 101 94.770 -2.067 9.260 826 H GLU 102 HN GLU 102 97.937 -2.527 11.723 827 HA GLU 102 HA GLU 102 98.185 -0.758 9.505 828 HB2 GLU 102 HB2 GLU 102 99.658 0.905 10.555 829 HB3 GLU 102 HB1 GLU 102 98.080 0.912 11.347 830 HG2 GLU 102 HG2 GLU 102 100.473 -0.659 12.391 831 HG3 GLU 102 HG1 GLU 102 100.031 0.956 12.926 832 H HIS 103 HN HIS 103 100.505 -0.683 8.696 833 HA HIS 103 HA HIS 103 102.282 -2.727 9.856 834 HB2 HIS 103 HB2 HIS 103 101.045 -2.867 7.106 835 HB3 HIS 103 HB1 HIS 103 102.576 -3.656 7.474 836 HD1 HIS 103 HD1 HIS 103 99.669 -4.989 6.861 837 HD2 HIS 103 HD2 HIS 103 101.577 -4.755 10.568 838 HE1 HIS 103 HE1 HIS 103 98.713 -6.834 8.287 839 H LYS 104 HN LYS 104 104.375 -2.244 9.584 840 HA LYS 104 HA LYS 104 105.069 0.221 8.095 841 HB2 LYS 104 HB2 LYS 104 106.548 -1.308 10.231 842 HB3 LYS 104 HB1 LYS 104 107.148 0.137 9.429 843 HG2 LYS 104 HG2 LYS 104 105.237 1.439 10.255 844 HG3 LYS 104 HG1 LYS 104 104.564 -0.007 11.008 845 HD2 LYS 104 HD2 LYS 104 105.762 1.226 12.708 846 HD3 LYS 104 HD1 LYS 104 106.659 -0.238 12.355 847 HE2 LYS 104 HE2 LYS 104 107.452 2.082 10.670 848 HE3 LYS 104 HE1 LYS 104 107.770 2.293 12.377 849 HZ1 LYS 104 HZ1 LYS 104 109.197 0.755 10.550 850 HZ2 LYS 104 HZ2 LYS 104 108.521 -0.309 11.680 851 HZ3 LYS 104 HZ3 LYS 104 109.501 0.983 12.194 852 H VAL 105 HN VAL 105 106.401 0.131 6.370 853 HA VAL 105 HA VAL 105 107.967 -2.336 5.890 854 HB VAL 105 HB VAL 105 107.286 -2.300 3.496 855 HG11 VAL 105 HG11 VAL 105 105.000 -3.131 3.826 856 HG12 VAL 105 HG12 VAL 105 104.903 -2.337 5.398 857 HG13 VAL 105 HG13 VAL 105 106.023 -3.693 5.138 858 HG21 VAL 105 HG21 VAL 105 105.170 -0.292 4.326 859 HG22 VAL 105 HG22 VAL 105 105.522 -0.847 2.702 860 HG23 VAL 105 HG23 VAL 105 106.665 0.199 3.518 861 H LYS 106 HN LYS 106 109.710 -2.030 4.368 862 HA LYS 106 HA LYS 106 110.613 0.775 4.174 863 HB2 LYS 106 HB2 LYS 106 111.886 -0.722 5.798 864 HB3 LYS 106 HB1 LYS 106 112.488 -1.605 4.394 865 HG2 LYS 106 HG2 LYS 106 113.395 0.471 3.461 866 HG3 LYS 106 HG1 LYS 106 112.768 1.391 4.806 867 HD2 LYS 106 HD2 LYS 106 114.649 -0.941 5.228 868 HD3 LYS 106 HD1 LYS 106 115.258 0.669 4.886 869 HE2 LYS 106 HE2 LYS 106 113.826 1.479 6.872 870 HE3 LYS 106 HE1 LYS 106 113.611 -0.220 7.254 871 HZ1 LYS 106 HZ1 LYS 106 115.549 1.120 8.286 872 HZ2 LYS 106 HZ2 LYS 106 116.315 0.818 6.791 873 HZ3 LYS 106 HZ3 LYS 106 115.805 -0.485 7.782 874 H LEU 107 HN LEU 107 110.694 1.479 2.182 875 HA LEU 107 HA LEU 107 111.310 -0.411 -0.028 876 HB2 LEU 107 HB2 LEU 107 109.350 1.905 0.109 877 HB3 LEU 107 HB1 LEU 107 109.967 1.296 -1.423 878 HG LEU 107 HG LEU 107 109.155 -0.986 -0.773 879 HD11 LEU 107 HD11 LEU 107 108.477 0.495 1.720 880 HD12 LEU 107 HD12 LEU 107 108.743 -1.228 1.449 881 HD13 LEU 107 HD13 LEU 107 107.181 -0.522 1.089 882 HD21 LEU 107 HD21 LEU 107 106.685 -0.326 -1.046 883 HD22 LEU 107 HD22 LEU 107 107.800 0.284 -2.262 884 HD23 LEU 107 HD23 LEU 107 107.257 1.340 -0.981 885 H GLU 108 HN GLU 108 113.201 0.086 -1.016 886 HA GLU 108 HA GLU 108 114.164 2.883 -1.040 887 HB2 GLU 108 HB2 GLU 108 116.479 1.989 -0.824 888 HB3 GLU 108 HB1 GLU 108 115.510 1.722 0.631 889 HG2 GLU 108 HG2 GLU 108 115.028 -0.597 -0.162 890 HG3 GLU 108 HG1 GLU 108 116.074 -0.315 -1.542 891 H ILE 109 HN ILE 109 114.640 3.615 -2.987 892 HA ILE 109 HA ILE 109 114.841 1.671 -5.217 893 HB ILE 109 HB ILE 109 114.102 4.595 -5.241 894 HG12 ILE 109 HG12 ILE 109 112.357 2.147 -5.637 895 HG13 ILE 109 HG11 ILE 109 112.461 3.068 -4.146 896 HG21 ILE 109 HG21 ILE 109 115.032 4.071 -7.359 897 HG22 ILE 109 HG22 ILE 109 113.301 3.868 -7.605 898 HG23 ILE 109 HG23 ILE 109 114.323 2.473 -7.373 899 HD11 ILE 109 HD11 ILE 109 110.530 3.764 -5.635 900 HD12 ILE 109 HD12 ILE 109 111.709 4.320 -6.824 901 HD13 ILE 109 HD13 ILE 109 111.639 5.077 -5.228 902 H GLN 110 HN GLN 110 116.830 1.337 -5.906 903 HA GLN 110 HA GLN 110 118.940 3.289 -5.435 904 HB2 GLN 110 HB2 GLN 110 118.968 0.523 -6.637 905 HB3 GLN 110 HB1 GLN 110 120.411 1.535 -6.388 906 HG2 GLN 110 HG2 GLN 110 119.927 1.643 -3.974 907 HG3 GLN 110 HG1 GLN 110 118.461 0.694 -4.214 908 HE21 GLN 110 HE21 GLN 110 119.858 -0.650 -2.478 909 HE22 GLN 110 HE22 GLN 110 120.867 -1.851 -3.134 910 H GLN 111 HN GLN 111 119.967 1.755 -8.101 911 HA GLN 111 HA GLN 111 118.626 3.342 -10.141 912 HB2 GLN 111 HB2 GLN 111 120.591 4.656 -10.774 913 HB3 GLN 111 HB1 GLN 111 120.093 5.026 -9.121 914 HG2 GLN 111 HG2 GLN 111 121.813 3.447 -8.253 915 HG3 GLN 111 HG1 GLN 111 122.362 3.155 -9.910 916 HE21 GLN 111 HE21 GLN 111 124.291 4.156 -8.275 917 HE22 GLN 111 HE22 GLN 111 124.579 5.803 -8.592 918 H LEU 112 HN LEU 112 119.578 3.002 -12.276 919 HA LEU 112 HA LEU 112 120.196 0.276 -12.730 920 HB2 LEU 112 HB2 LEU 112 119.016 1.611 -14.371 921 HB3 LEU 112 HB1 LEU 112 120.388 2.707 -14.536 922 HG LEU 112 HG LEU 112 121.746 0.880 -15.476 923 HD11 LEU 112 HD11 LEU 112 119.319 -0.782 -14.722 924 HD12 LEU 112 HD12 LEU 112 121.028 -1.063 -14.377 925 HD13 LEU 112 HD13 LEU 112 120.405 -1.278 -16.028 926 HD21 LEU 112 HD21 LEU 112 120.425 0.488 -17.535 927 HD22 LEU 112 HD22 LEU 112 120.315 2.169 -17.013 928 HD23 LEU 112 HD23 LEU 112 118.972 1.059 -16.713 929 H GLU 113 HN GLU 113 122.086 -0.754 -12.838 930 HA GLU 113 HA GLU 113 124.602 0.852 -12.668 931 HB2 GLU 113 HB2 GLU 113 123.922 -1.945 -11.692 932 HB3 GLU 113 HB1 GLU 113 125.547 -1.235 -11.606 933 HG2 GLU 113 HG2 GLU 113 124.650 0.584 -10.194 934 HG3 GLU 113 HG1 GLU 113 123.056 -0.154 -10.283 935 H HIS 114 HN HIS 114 125.392 -2.317 -13.115 936 HA HIS 114 HA HIS 114 125.703 -2.019 -16.060 937 HB2 HIS 114 HB2 HIS 114 127.827 -1.986 -14.657 938 HB3 HIS 114 HB1 HIS 114 127.442 -3.650 -14.210 939 HD1 HIS 114 HD1 HIS 114 128.089 -1.576 -17.372 940 HD2 HIS 114 HD2 HIS 114 128.063 -5.563 -16.117 941 HE1 HIS 114 HE1 HIS 114 128.977 -2.961 -19.311 942 H HIS 115 HN HIS 115 124.742 -3.479 -17.255 943 HA HIS 115 HA HIS 115 123.135 -5.536 -16.127 944 HB2 HIS 115 HB2 HIS 115 123.034 -6.306 -18.606 945 HB3 HIS 115 HB1 HIS 115 122.376 -4.714 -18.170 946 HD1 HIS 115 HD1 HIS 115 125.080 -6.324 -20.129 947 HD2 HIS 115 HD2 HIS 115 124.037 -2.460 -18.965 948 HE1 HIS 115 HE1 HIS 115 126.456 -4.764 -21.551 949 H HIS 116 HN HIS 116 123.694 -7.450 -15.438 950 HA HIS 116 HA HIS 116 126.374 -8.469 -15.772 951 HB2 HIS 116 HB2 HIS 116 123.900 -9.606 -14.445 952 HB3 HIS 116 HB1 HIS 116 125.479 -10.404 -14.473 953 HD1 HIS 116 HD1 HIS 116 123.914 -7.144 -13.248 954 HD2 HIS 116 HD2 HIS 116 127.240 -9.540 -12.579 955 HE1 HIS 116 HE1 HIS 116 125.117 -6.176 -11.255 956 H HIS 117 HN HIS 117 123.840 -8.386 -17.889 957 HA HIS 117 HA HIS 117 123.793 -11.118 -18.774 958 HB2 HIS 117 HB2 HIS 117 122.956 -8.591 -20.173 959 HB3 HIS 117 HB1 HIS 117 122.568 -10.221 -20.688 960 HD1 HIS 117 HD1 HIS 117 121.280 -11.709 -18.714 961 HD2 HIS 117 HD2 HIS 117 121.041 -7.531 -18.447 962 HE1 HIS 117 HE1 HIS 117 119.388 -11.168 -17.090 963 H HIS 118 HN HIS 118 125.385 -12.100 -19.825 964 HA HIS 118 HA HIS 118 127.539 -10.614 -21.015 965 HB2 HIS 118 HB2 HIS 118 128.505 -12.830 -21.508 966 HB3 HIS 118 HB1 HIS 118 127.993 -12.686 -19.810 967 HD1 HIS 118 HD1 HIS 118 124.882 -13.111 -20.469 968 HD2 HIS 118 HD2 HIS 118 127.978 -15.597 -21.772 969 HE1 HIS 118 HE1 HIS 118 123.854 -15.382 -20.950 970 H HIS 119 HN HIS 119 124.646 -12.268 -22.114 971 HA HIS 119 HA HIS 119 125.283 -12.832 -24.769 972 HB2 HIS 119 HB2 HIS 119 123.209 -13.612 -23.729 973 HB3 HIS 119 HB1 HIS 119 122.612 -11.961 -23.632 974 HD1 HIS 119 HD1 HIS 119 123.709 -14.488 -26.227 975 HD2 HIS 119 HD2 HIS 119 121.256 -11.114 -25.945 976 HE1 HIS 119 HE1 HIS 119 122.506 -14.321 -28.444 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 53.257 2.494 -4.056 2 H2 ARG 1 HT2 ARG 1 51.714 2.779 -3.400 3 H3 ARG 1 HT3 ARG 1 53.055 2.577 -2.375 4 HA ARG 1 HA ARG 1 53.160 4.721 -4.356 5 HB2 ARG 1 HB2 ARG 1 51.960 6.231 -2.787 6 HB3 ARG 1 HB1 ARG 1 50.912 4.971 -3.435 7 HG2 ARG 1 HG2 ARG 1 51.163 3.656 -1.387 8 HG3 ARG 1 HG1 ARG 1 52.287 4.843 -0.737 9 HD2 ARG 1 HD2 ARG 1 50.099 5.266 0.212 10 HD3 ARG 1 HD1 ARG 1 50.497 6.572 -0.902 11 HE ARG 1 HE ARG 1 48.833 5.794 -2.360 12 HH11 ARG 1 HH11 ARG 1 49.558 2.833 -1.989 13 HH12 ARG 1 HH12 ARG 1 48.097 2.215 -1.301 14 HH21 ARG 1 HH21 ARG 1 46.860 5.356 -0.492 15 HH22 ARG 1 HH22 ARG 1 46.549 3.650 -0.469 16 H MET 2 HN MET 2 53.768 3.340 -1.162 17 HA MET 2 HA MET 2 55.537 5.333 -0.203 18 HB2 MET 2 HB2 MET 2 55.282 2.390 0.444 19 HB3 MET 2 HB1 MET 2 56.364 3.482 1.301 20 HG2 MET 2 HG2 MET 2 54.462 4.909 1.923 21 HG3 MET 2 HG1 MET 2 53.367 3.828 1.058 22 HE1 MET 2 HE1 MET 2 53.058 3.749 4.973 23 HE2 MET 2 HE2 MET 2 51.916 3.165 3.764 24 HE3 MET 2 HE3 MET 2 52.749 4.701 3.511 25 H ALA 3 HN ALA 3 56.078 2.352 -2.033 26 HA ALA 3 HA ALA 3 58.729 3.359 -2.827 27 HB1 ALA 3 HB1 ALA 3 58.938 1.768 -0.853 28 HB2 ALA 3 HB2 ALA 3 59.847 1.321 -2.300 29 HB3 ALA 3 HB3 ALA 3 58.331 0.502 -1.925 30 H HIS 4 HN HIS 4 58.075 3.717 -4.894 31 HA HIS 4 HA HIS 4 56.697 1.666 -6.420 32 HB2 HIS 4 HB2 HIS 4 56.156 4.048 -6.759 33 HB3 HIS 4 HB1 HIS 4 57.815 4.348 -7.271 34 HD1 HIS 4 HD1 HIS 4 58.172 4.219 -9.713 35 HD2 HIS 4 HD2 HIS 4 54.948 1.865 -8.524 36 HE1 HIS 4 HE1 HIS 4 57.203 3.218 -11.824 37 H GLU 5 HN GLU 5 59.804 2.068 -5.454 38 HA GLU 5 HA GLU 5 60.902 0.751 -7.886 39 HB2 GLU 5 HB2 GLU 5 61.800 3.058 -7.544 40 HB3 GLU 5 HB1 GLU 5 62.385 2.565 -5.956 41 HG2 GLU 5 HG2 GLU 5 64.255 2.347 -7.425 42 HG3 GLU 5 HG1 GLU 5 63.676 0.707 -7.167 43 H GLY 6 HN GLY 6 62.278 -0.986 -7.536 44 HA2 GLY 6 HA2 GLY 6 61.773 -2.546 -5.212 45 HA3 GLY 6 HA1 GLY 6 62.919 -2.936 -6.487 46 H ALA 7 HN ALA 7 64.048 -3.729 -4.420 47 HA ALA 7 HA ALA 7 65.091 -1.993 -2.501 48 HB1 ALA 7 HB1 ALA 7 66.756 -3.719 -2.064 49 HB2 ALA 7 HB2 ALA 7 66.416 -4.478 -3.620 50 HB3 ALA 7 HB3 ALA 7 65.186 -4.468 -2.356 51 H LEU 8 HN LEU 8 66.875 -0.726 -2.345 52 HA LEU 8 HA LEU 8 68.100 0.174 -4.820 53 HB2 LEU 8 HB2 LEU 8 68.536 0.987 -1.928 54 HB3 LEU 8 HB1 LEU 8 69.270 1.787 -3.313 55 HG LEU 8 HG LEU 8 66.283 1.488 -2.870 56 HD11 LEU 8 HD11 LEU 8 66.513 4.040 -2.517 57 HD12 LEU 8 HD12 LEU 8 68.225 3.720 -2.257 58 HD13 LEU 8 HD13 LEU 8 67.019 2.986 -1.198 59 HD21 LEU 8 HD21 LEU 8 67.977 2.757 -5.021 60 HD22 LEU 8 HD22 LEU 8 66.408 3.460 -4.637 61 HD23 LEU 8 HD23 LEU 8 66.509 1.792 -5.184 62 H THR 9 HN THR 9 70.024 -0.486 -5.597 63 HA THR 9 HA THR 9 71.423 -2.638 -4.338 64 HB THR 9 HB THR 9 72.069 -0.895 -6.726 65 HG1 THR 9 HG1 THR 9 71.387 -2.651 -7.837 66 HG21 THR 9 HG21 THR 9 73.801 -2.714 -7.198 67 HG22 THR 9 HG22 THR 9 73.614 -3.207 -5.515 68 HG23 THR 9 HG23 THR 9 74.213 -1.592 -5.903 69 H GLY 10 HN GLY 10 73.224 -2.627 -3.117 70 HA2 GLY 10 HA2 GLY 10 75.305 -0.940 -2.933 71 HA3 GLY 10 HA1 GLY 10 74.090 -0.097 -1.982 72 H VAL 11 HN VAL 11 73.236 -1.132 -0.114 73 HA VAL 11 HA VAL 11 75.183 -2.901 1.195 74 HB VAL 11 HB VAL 11 72.794 -1.483 2.393 75 HG11 VAL 11 HG11 VAL 11 75.352 -2.593 3.590 76 HG12 VAL 11 HG12 VAL 11 73.765 -3.366 3.679 77 HG13 VAL 11 HG13 VAL 11 74.043 -1.814 4.484 78 HG21 VAL 11 HG21 VAL 11 75.648 -0.559 1.965 79 HG22 VAL 11 HG22 VAL 11 74.580 0.178 3.158 80 HG23 VAL 11 HG23 VAL 11 74.169 0.246 1.448 81 H THR 12 HN THR 12 71.958 -2.787 -0.056 82 HA THR 12 HA THR 12 70.735 -4.915 1.303 83 HB THR 12 HB THR 12 69.207 -5.049 -0.603 84 HG1 THR 12 HG1 THR 12 71.378 -3.910 -1.828 85 HG21 THR 12 HG21 THR 12 68.628 -3.255 0.799 86 HG22 THR 12 HG22 THR 12 68.747 -2.488 -0.785 87 HG23 THR 12 HG23 THR 12 70.065 -2.326 0.372 88 H THR 13 HN THR 13 73.567 -5.286 -0.173 89 HA THR 13 HA THR 13 73.061 -7.560 -1.864 90 HB THR 13 HB THR 13 75.592 -7.858 -1.630 91 HG1 THR 13 HG1 THR 13 75.289 -5.350 -0.356 92 HG21 THR 13 HG21 THR 13 76.061 -6.010 -3.107 93 HG22 THR 13 HG22 THR 13 74.653 -5.119 -2.524 94 HG23 THR 13 HG23 THR 13 74.436 -6.585 -3.478 95 H ASP 14 HN ASP 14 74.025 -9.736 -1.415 96 HA ASP 14 HA ASP 14 73.008 -10.786 1.016 97 HB2 ASP 14 HB2 ASP 14 73.302 -12.054 -1.157 98 HB3 ASP 14 HB1 ASP 14 75.026 -12.146 -0.783 99 H GLN 15 HN GLN 15 76.237 -9.915 -0.067 100 HA GLN 15 HA GLN 15 77.509 -10.783 2.410 101 HB2 GLN 15 HB2 GLN 15 78.589 -9.395 -0.060 102 HB3 GLN 15 HB1 GLN 15 79.581 -9.945 1.292 103 HG2 GLN 15 HG2 GLN 15 77.791 -11.733 -0.379 104 HG3 GLN 15 HG1 GLN 15 79.535 -11.577 -0.592 105 HE21 GLN 15 HE21 GLN 15 77.302 -13.593 0.814 106 HE22 GLN 15 HE22 GLN 15 78.236 -14.201 2.092 107 H LYS 16 HN LYS 16 76.220 -9.291 3.753 108 HA LYS 16 HA LYS 16 77.349 -6.540 3.705 109 HB2 LYS 16 HB2 LYS 16 75.170 -5.805 4.623 110 HB3 LYS 16 HB1 LYS 16 75.024 -6.502 3.005 111 HG2 LYS 16 HG2 LYS 16 74.377 -8.666 4.001 112 HG3 LYS 16 HG1 LYS 16 74.478 -7.953 5.608 113 HD2 LYS 16 HD2 LYS 16 72.781 -6.252 4.904 114 HD3 LYS 16 HD1 LYS 16 72.602 -7.131 3.382 115 HE2 LYS 16 HE2 LYS 16 72.217 -8.401 6.099 116 HE3 LYS 16 HE1 LYS 16 70.894 -7.756 5.122 117 HZ1 LYS 16 HZ1 LYS 16 72.812 -9.802 4.154 118 HZ2 LYS 16 HZ2 LYS 16 71.382 -9.293 3.400 119 HZ3 LYS 16 HZ3 LYS 16 71.314 -10.180 4.848 120 H GLU 17 HN GLU 17 77.540 -9.351 5.299 121 HA GLU 17 HA GLU 17 77.020 -8.734 8.004 122 HB2 GLU 17 HB2 GLU 17 78.926 -10.702 6.725 123 HB3 GLU 17 HB1 GLU 17 78.617 -10.625 8.459 124 HG2 GLU 17 HG2 GLU 17 76.256 -11.075 8.121 125 HG3 GLU 17 HG1 GLU 17 76.439 -10.971 6.375 126 H LYS 18 HN LYS 18 78.269 -7.905 9.641 127 HA LYS 18 HA LYS 18 80.379 -6.118 8.831 128 HB2 LYS 18 HB2 LYS 18 78.771 -5.587 10.687 129 HB3 LYS 18 HB1 LYS 18 79.541 -6.856 11.650 130 HG2 LYS 18 HG2 LYS 18 81.690 -5.730 11.531 131 HG3 LYS 18 HG1 LYS 18 81.040 -4.521 10.429 132 HD2 LYS 18 HD2 LYS 18 79.495 -3.737 12.188 133 HD3 LYS 18 HD1 LYS 18 80.153 -4.942 13.298 134 HE2 LYS 18 HE2 LYS 18 82.385 -3.917 13.097 135 HE3 LYS 18 HE1 LYS 18 81.750 -2.725 11.963 136 HZ1 LYS 18 HZ1 LYS 18 80.352 -2.974 14.501 137 HZ2 LYS 18 HZ2 LYS 18 80.722 -1.588 13.591 138 HZ3 LYS 18 HZ3 LYS 18 81.908 -2.304 14.573 139 H GLN 19 HN GLN 19 82.392 -6.796 8.429 140 HA GLN 19 HA GLN 19 83.367 -9.269 9.676 141 HB2 GLN 19 HB2 GLN 19 84.537 -7.580 7.450 142 HB3 GLN 19 HB1 GLN 19 85.141 -9.146 7.977 143 HG2 GLN 19 HG2 GLN 19 82.363 -8.629 6.892 144 HG3 GLN 19 HG1 GLN 19 83.687 -9.340 5.975 145 HE21 GLN 19 HE21 GLN 19 80.992 -10.160 7.781 146 HE22 GLN 19 HE22 GLN 19 81.446 -11.732 8.236 147 H LYS 20 HN LYS 20 85.760 -9.272 10.232 148 HA LYS 20 HA LYS 20 86.192 -7.190 12.187 149 HB2 LYS 20 HB2 LYS 20 88.103 -9.425 11.535 150 HB3 LYS 20 HB1 LYS 20 87.875 -8.581 13.069 151 HG2 LYS 20 HG2 LYS 20 85.472 -9.483 13.027 152 HG3 LYS 20 HG1 LYS 20 86.020 -10.562 11.742 153 HD2 LYS 20 HD2 LYS 20 87.815 -11.394 13.255 154 HD3 LYS 20 HD1 LYS 20 87.169 -10.376 14.542 155 HE2 LYS 20 HE2 LYS 20 85.191 -11.635 14.714 156 HE3 LYS 20 HE1 LYS 20 85.395 -12.356 13.117 157 HZ1 LYS 20 HZ1 LYS 20 85.987 -13.991 14.698 158 HZ2 LYS 20 HZ2 LYS 20 86.966 -12.910 15.572 159 HZ3 LYS 20 HZ3 LYS 20 87.443 -13.435 14.024 160 HA PRO 21 HA PRO 21 88.767 -4.689 9.534 161 HB2 PRO 21 HB2 PRO 21 90.466 -3.779 11.712 162 HB3 PRO 21 HB1 PRO 21 89.194 -2.888 10.869 163 HG2 PRO 21 HG2 PRO 21 89.127 -3.990 13.506 164 HG3 PRO 21 HG1 PRO 21 87.859 -3.086 12.667 165 HD2 PRO 21 HD2 PRO 21 87.883 -5.900 13.285 166 HD3 PRO 21 HD1 PRO 21 86.650 -4.985 12.390 167 H ASP 22 HN ASP 22 90.776 -4.764 8.558 168 HA ASP 22 HA ASP 22 93.158 -5.697 9.495 169 HB2 ASP 22 HB2 ASP 22 93.302 -7.987 8.374 170 HB3 ASP 22 HB1 ASP 22 92.455 -7.898 9.918 171 H ILE 23 HN ILE 23 94.261 -4.459 8.234 172 HA ILE 23 HA ILE 23 93.617 -4.065 5.473 173 HB ILE 23 HB ILE 23 95.596 -2.586 5.422 174 HG12 ILE 23 HG12 ILE 23 95.880 -3.096 8.383 175 HG13 ILE 23 HG11 ILE 23 96.806 -4.038 7.220 176 HG21 ILE 23 HG21 ILE 23 93.711 -2.181 7.764 177 HG22 ILE 23 HG22 ILE 23 93.461 -1.642 6.097 178 HG23 ILE 23 HG23 ILE 23 94.755 -0.938 7.064 179 HD11 ILE 23 HD11 ILE 23 98.118 -2.104 7.946 180 HD12 ILE 23 HD12 ILE 23 96.815 -1.018 7.466 181 HD13 ILE 23 HD13 ILE 23 97.695 -1.940 6.240 182 H VAL 24 HN VAL 24 94.925 -4.405 3.692 183 HA VAL 24 HA VAL 24 96.901 -6.598 3.958 184 HB VAL 24 HB VAL 24 94.937 -5.961 1.747 185 HG11 VAL 24 HG11 VAL 24 97.373 -7.760 1.797 186 HG12 VAL 24 HG12 VAL 24 96.977 -6.506 0.621 187 HG13 VAL 24 HG13 VAL 24 96.049 -7.998 0.656 188 HG21 VAL 24 HG21 VAL 24 94.130 -8.210 2.224 189 HG22 VAL 24 HG22 VAL 24 94.174 -7.295 3.730 190 HG23 VAL 24 HG23 VAL 24 95.439 -8.473 3.373 191 H LEU 25 HN LEU 25 98.894 -6.224 3.123 192 HA LEU 25 HA LEU 25 99.355 -4.087 1.225 193 HB2 LEU 25 HB2 LEU 25 101.216 -3.158 2.795 194 HB3 LEU 25 HB1 LEU 25 99.557 -2.665 3.073 195 HG LEU 25 HG LEU 25 100.875 -3.330 5.135 196 HD11 LEU 25 HD11 LEU 25 98.597 -5.247 5.095 197 HD12 LEU 25 HD12 LEU 25 98.202 -3.588 4.655 198 HD13 LEU 25 HD13 LEU 25 98.951 -3.927 6.198 199 HD21 LEU 25 HD21 LEU 25 102.007 -5.285 3.997 200 HD22 LEU 25 HD22 LEU 25 100.476 -6.161 4.112 201 HD23 LEU 25 HD23 LEU 25 101.319 -5.655 5.576 202 H TYR 26 HN TYR 26 102.244 -4.023 1.749 203 HA TYR 26 HA TYR 26 102.951 -6.723 0.740 204 HB2 TYR 26 HB2 TYR 26 104.096 -3.972 0.303 205 HB3 TYR 26 HB1 TYR 26 105.125 -5.388 0.068 206 HD1 TYR 26 HD1 TYR 26 105.266 -6.091 -2.143 207 HD2 TYR 26 HD2 TYR 26 101.564 -4.438 -0.727 208 HE1 TYR 26 HE1 TYR 26 104.274 -6.405 -4.388 209 HE2 TYR 26 HE2 TYR 26 100.565 -4.758 -2.975 210 HH TYR 26 HH TYR 26 101.760 -4.923 -5.507 211 HA PRO 27 HA PRO 27 104.948 -6.714 4.888 212 HB2 PRO 27 HB2 PRO 27 105.146 -9.611 4.737 213 HB3 PRO 27 HB1 PRO 27 104.143 -8.636 5.825 214 HG2 PRO 27 HG2 PRO 27 103.230 -10.222 3.700 215 HG3 PRO 27 HG1 PRO 27 102.296 -9.005 4.585 216 HD2 PRO 27 HD2 PRO 27 103.448 -8.842 1.864 217 HD3 PRO 27 HD1 PRO 27 102.163 -7.881 2.606 218 H GLU 28 HN GLU 28 105.807 -8.108 1.851 219 HA GLU 28 HA GLU 28 108.556 -8.692 2.607 220 HB2 GLU 28 HB2 GLU 28 107.155 -10.060 0.978 221 HB3 GLU 28 HB1 GLU 28 107.376 -8.741 -0.166 222 HG2 GLU 28 HG2 GLU 28 109.149 -10.205 -0.672 223 HG3 GLU 28 HG1 GLU 28 109.901 -8.974 0.334 224 HA PRO 29 HA PRO 29 109.646 -4.403 1.553 225 HB2 PRO 29 HB2 PRO 29 112.462 -5.101 1.390 226 HB3 PRO 29 HB1 PRO 29 111.641 -4.170 2.650 227 HG2 PRO 29 HG2 PRO 29 112.643 -6.831 2.828 228 HG3 PRO 29 HG1 PRO 29 111.756 -5.920 4.056 229 HD2 PRO 29 HD2 PRO 29 110.820 -8.155 2.465 230 HD3 PRO 29 HD1 PRO 29 109.949 -7.274 3.746 231 H VAL 30 HN VAL 30 110.169 -3.319 -0.423 232 HA VAL 30 HA VAL 30 111.035 -5.069 -2.675 233 HB VAL 30 HB VAL 30 108.771 -3.055 -2.670 234 HG11 VAL 30 HG11 VAL 30 108.556 -3.736 -5.106 235 HG12 VAL 30 HG12 VAL 30 110.150 -4.472 -4.974 236 HG13 VAL 30 HG13 VAL 30 109.959 -2.733 -4.747 237 HG21 VAL 30 HG21 VAL 30 108.227 -5.307 -1.817 238 HG22 VAL 30 HG22 VAL 30 108.881 -6.025 -3.291 239 HG23 VAL 30 HG23 VAL 30 107.440 -5.011 -3.370 240 H ARG 31 HN ARG 31 112.571 -4.263 -3.947 241 HA ARG 31 HA ARG 31 113.234 -1.375 -3.802 242 HB2 ARG 31 HB2 ARG 31 115.172 -3.699 -3.919 243 HB3 ARG 31 HB1 ARG 31 115.600 -1.988 -3.901 244 HG2 ARG 31 HG2 ARG 31 114.525 -1.739 -1.700 245 HG3 ARG 31 HG1 ARG 31 114.101 -3.450 -1.717 246 HD2 ARG 31 HD2 ARG 31 116.930 -2.381 -1.878 247 HD3 ARG 31 HD1 ARG 31 116.176 -3.022 -0.418 248 HE ARG 31 HE ARG 31 117.084 -4.561 -2.728 249 HH11 ARG 31 HH11 ARG 31 114.732 -4.487 -0.237 250 HH12 ARG 31 HH12 ARG 31 114.897 -6.157 0.174 251 HH21 ARG 31 HH21 ARG 31 117.525 -6.705 -2.011 252 HH22 ARG 31 HH22 ARG 31 116.481 -7.413 -0.825 253 H VAL 32 HN VAL 32 113.605 -0.412 -5.784 254 HA VAL 32 HA VAL 32 113.850 -2.178 -8.160 255 HB VAL 32 HB VAL 32 111.499 -1.086 -7.668 256 HG11 VAL 32 HG11 VAL 32 112.557 1.222 -7.376 257 HG12 VAL 32 HG12 VAL 32 111.179 1.153 -8.463 258 HG13 VAL 32 HG13 VAL 32 112.809 1.237 -9.119 259 HG21 VAL 32 HG21 VAL 32 112.995 -1.231 -10.277 260 HG22 VAL 32 HG22 VAL 32 111.330 -0.651 -10.249 261 HG23 VAL 32 HG23 VAL 32 111.707 -2.275 -9.674 262 H LEU 33 HN LEU 33 114.790 -1.117 -10.025 263 HA LEU 33 HA LEU 33 116.843 0.830 -9.236 264 HB2 LEU 33 HB2 LEU 33 116.474 -0.971 -11.640 265 HB3 LEU 33 HB1 LEU 33 117.711 0.280 -11.575 266 HG LEU 33 HG LEU 33 118.529 -0.758 -9.407 267 HD11 LEU 33 HD11 LEU 33 116.681 -2.085 -8.688 268 HD12 LEU 33 HD12 LEU 33 117.872 -3.254 -9.254 269 HD13 LEU 33 HD13 LEU 33 116.497 -2.832 -10.272 270 HD21 LEU 33 HD21 LEU 33 119.668 -1.156 -11.547 271 HD22 LEU 33 HD22 LEU 33 118.538 -2.463 -11.916 272 HD23 LEU 33 HD23 LEU 33 119.676 -2.627 -10.566 273 H GLU 34 HN GLU 34 116.716 2.943 -9.789 274 HA GLU 34 HA GLU 34 114.460 4.156 -10.703 275 HB2 GLU 34 HB2 GLU 34 116.426 5.331 -9.733 276 HB3 GLU 34 HB1 GLU 34 117.234 5.196 -11.293 277 HG2 GLU 34 HG2 GLU 34 114.500 6.463 -11.016 278 HG3 GLU 34 HG1 GLU 34 115.975 7.398 -10.840 279 H GLY 35 HN GLY 35 113.527 4.767 -12.572 280 HA2 GLY 35 HA2 GLY 35 113.357 5.066 -14.916 281 HA3 GLY 35 HA1 GLY 35 114.850 4.142 -15.126 282 H GLU 36 HN GLU 36 112.995 2.602 -12.889 283 HA GLU 36 HA GLU 36 111.844 0.718 -14.873 284 HB2 GLU 36 HB2 GLU 36 113.712 -0.157 -13.460 285 HB3 GLU 36 HB1 GLU 36 112.739 0.183 -12.031 286 HG2 GLU 36 HG2 GLU 36 112.416 -2.136 -12.531 287 HG3 GLU 36 HG1 GLU 36 110.944 -1.312 -13.037 288 H THR 37 HN THR 37 109.677 0.499 -14.865 289 HA THR 37 HA THR 37 108.085 2.006 -12.991 290 HB THR 37 HB THR 37 107.208 1.923 -15.197 291 HG1 THR 37 HG1 THR 37 105.263 0.561 -14.801 292 HG21 THR 37 HG21 THR 37 107.652 -1.052 -14.955 293 HG22 THR 37 HG22 THR 37 108.343 0.055 -16.140 294 HG23 THR 37 HG23 THR 37 106.629 -0.352 -16.207 295 H ALA 38 HN ALA 38 106.868 1.275 -11.327 296 HA ALA 38 HA ALA 38 107.085 -1.615 -10.648 297 HB1 ALA 38 HB1 ALA 38 106.839 0.225 -8.358 298 HB2 ALA 38 HB2 ALA 38 108.308 0.471 -9.295 299 HB3 ALA 38 HB3 ALA 38 107.958 -1.110 -8.609 300 H ARG 39 HN ARG 39 105.379 -2.320 -9.049 301 HA ARG 39 HA ARG 39 102.862 -0.780 -9.332 302 HB2 ARG 39 HB2 ARG 39 103.235 -3.711 -9.986 303 HB3 ARG 39 HB1 ARG 39 101.670 -2.918 -9.813 304 HG2 ARG 39 HG2 ARG 39 102.204 -1.396 -11.662 305 HG3 ARG 39 HG1 ARG 39 103.803 -2.113 -11.813 306 HD2 ARG 39 HD2 ARG 39 102.774 -4.300 -12.325 307 HD3 ARG 39 HD1 ARG 39 101.172 -3.584 -12.178 308 HE ARG 39 HE ARG 39 103.022 -3.283 -14.409 309 HH11 ARG 39 HH11 ARG 39 102.058 -2.367 -16.256 310 HH12 ARG 39 HH12 ARG 39 100.603 -1.443 -16.090 311 HH21 ARG 39 HH21 ARG 39 100.326 -1.991 -12.685 312 HH22 ARG 39 HH22 ARG 39 99.625 -1.230 -14.073 313 H PHE 40 HN PHE 40 101.917 -0.540 -7.434 314 HA PHE 40 HA PHE 40 102.198 -2.639 -5.365 315 HB2 PHE 40 HB2 PHE 40 102.463 0.360 -4.961 316 HB3 PHE 40 HB1 PHE 40 102.265 -0.802 -3.651 317 HD1 PHE 40 HD1 PHE 40 104.617 0.662 -6.056 318 HD2 PHE 40 HD2 PHE 40 103.994 -2.513 -3.227 319 HE1 PHE 40 HE1 PHE 40 107.066 0.257 -5.963 320 HE2 PHE 40 HE2 PHE 40 106.433 -2.915 -3.146 321 HZ PHE 40 HZ PHE 40 107.972 -1.532 -4.510 322 H ARG 41 HN ARG 41 100.340 -3.002 -4.194 323 HA ARG 41 HA ARG 41 97.983 -1.292 -4.736 324 HB2 ARG 41 HB2 ARG 41 98.132 -4.314 -4.937 325 HB3 ARG 41 HB1 ARG 41 96.619 -3.410 -4.849 326 HG2 ARG 41 HG2 ARG 41 97.207 -2.184 -6.888 327 HG3 ARG 41 HG1 ARG 41 98.762 -3.004 -6.958 328 HD2 ARG 41 HD2 ARG 41 97.649 -5.167 -7.258 329 HD3 ARG 41 HD1 ARG 41 96.070 -4.388 -7.117 330 HE ARG 41 HE ARG 41 97.464 -3.086 -9.167 331 HH11 ARG 41 HH11 ARG 41 97.546 -3.865 -11.319 332 HH12 ARG 41 HH12 ARG 41 96.663 -5.295 -11.731 333 HH21 ARG 41 HH21 ARG 41 95.716 -5.989 -8.475 334 HH22 ARG 41 HH22 ARG 41 95.635 -6.491 -10.130 335 H CYS 42 HN CYS 42 96.420 -1.292 -3.024 336 HA CYS 42 HA CYS 42 96.881 -2.936 -0.706 337 HB2 CYS 42 HB2 CYS 42 98.645 -1.224 -0.434 338 HB3 CYS 42 HB1 CYS 42 97.407 0.023 -0.441 339 HG CYS 42 HG CYS 42 97.698 -0.540 2.050 340 H ARG 43 HN ARG 43 95.102 -3.193 0.415 341 HA ARG 43 HA ARG 43 92.805 -1.354 0.044 342 HB2 ARG 43 HB2 ARG 43 92.741 -4.378 -0.149 343 HB3 ARG 43 HB1 ARG 43 91.313 -3.340 -0.082 344 HG2 ARG 43 HG2 ARG 43 91.995 -2.207 -2.129 345 HG3 ARG 43 HG1 ARG 43 93.483 -3.159 -2.187 346 HD2 ARG 43 HD2 ARG 43 90.682 -4.325 -2.280 347 HD3 ARG 43 HD1 ARG 43 91.716 -4.068 -3.687 348 HE ARG 43 HE ARG 43 93.156 -5.578 -1.805 349 HH11 ARG 43 HH11 ARG 43 89.976 -6.162 -2.741 350 HH12 ARG 43 HH12 ARG 43 90.272 -7.717 -3.442 351 HH21 ARG 43 HH21 ARG 43 93.733 -7.444 -3.192 352 HH22 ARG 43 HH22 ARG 43 92.412 -8.454 -3.685 353 H VAL 44 HN VAL 44 90.940 -2.202 1.713 354 HA VAL 44 HA VAL 44 92.220 -2.975 4.227 355 HB VAL 44 HB VAL 44 91.869 -0.544 4.320 356 HG11 VAL 44 HG11 VAL 44 88.957 -1.151 3.737 357 HG12 VAL 44 HG12 VAL 44 90.093 -0.530 2.541 358 HG13 VAL 44 HG13 VAL 44 89.689 0.442 3.955 359 HG21 VAL 44 HG21 VAL 44 90.744 -0.492 6.378 360 HG22 VAL 44 HG22 VAL 44 91.208 -2.188 6.273 361 HG23 VAL 44 HG23 VAL 44 89.557 -1.701 5.885 362 H THR 45 HN THR 45 90.207 -3.623 5.806 363 HA THR 45 HA THR 45 87.914 -4.524 4.306 364 HB THR 45 HB THR 45 89.848 -6.297 4.121 365 HG1 THR 45 HG1 THR 45 88.025 -7.907 4.490 366 HG21 THR 45 HG21 THR 45 90.122 -7.771 5.908 367 HG22 THR 45 HG22 THR 45 88.597 -7.306 6.656 368 HG23 THR 45 HG23 THR 45 89.987 -6.226 6.746 369 H GLY 46 HN GLY 46 86.360 -5.724 5.865 370 HA2 GLY 46 HA2 GLY 46 85.979 -6.015 8.368 371 HA3 GLY 46 HA1 GLY 46 86.500 -4.346 8.507 372 H TYR 47 HN TYR 47 85.093 -2.724 8.124 373 HA TYR 47 HA TYR 47 82.341 -3.417 7.283 374 HB2 TYR 47 HB2 TYR 47 81.397 -2.354 9.104 375 HB3 TYR 47 HB1 TYR 47 82.897 -2.899 9.835 376 HD1 TYR 47 HD1 TYR 47 80.859 -0.288 10.097 377 HD2 TYR 47 HD2 TYR 47 84.892 -1.024 8.817 378 HE1 TYR 47 HE1 TYR 47 81.467 2.045 10.682 379 HE2 TYR 47 HE2 TYR 47 85.499 1.301 9.400 380 HH TYR 47 HH TYR 47 83.281 3.426 11.104 381 HA PRO 48 HA PRO 48 82.483 0.019 4.549 382 HB2 PRO 48 HB2 PRO 48 80.054 1.417 5.327 383 HB3 PRO 48 HB1 PRO 48 80.302 0.297 3.975 384 HG2 PRO 48 HG2 PRO 48 78.772 -0.223 6.237 385 HG3 PRO 48 HG1 PRO 48 79.392 -1.444 5.108 386 HD2 PRO 48 HD2 PRO 48 80.399 -0.691 7.822 387 HD3 PRO 48 HD1 PRO 48 80.467 -2.254 6.975 388 H GLN 49 HN GLN 49 82.500 2.367 4.156 389 HA GLN 49 HA GLN 49 83.722 4.296 4.534 390 HB2 GLN 49 HB2 GLN 49 81.460 4.388 6.538 391 HB3 GLN 49 HB1 GLN 49 82.457 5.781 6.127 392 HG2 GLN 49 HG2 GLN 49 81.714 5.782 3.859 393 HG3 GLN 49 HG1 GLN 49 81.014 4.170 4.016 394 HE21 GLN 49 HE21 GLN 49 79.595 4.438 6.434 395 HE22 GLN 49 HE22 GLN 49 78.368 5.596 6.240 396 HA PRO 50 HA PRO 50 86.104 3.272 8.384 397 HB2 PRO 50 HB2 PRO 50 88.387 2.431 6.788 398 HB3 PRO 50 HB1 PRO 50 87.360 1.417 7.827 399 HG2 PRO 50 HG2 PRO 50 87.461 1.202 5.090 400 HG3 PRO 50 HG1 PRO 50 86.064 0.725 6.065 401 HD2 PRO 50 HD2 PRO 50 86.502 3.305 4.562 402 HD3 PRO 50 HD1 PRO 50 85.051 2.278 4.619 403 H LYS 51 HN LYS 51 88.102 4.447 9.143 404 HA LYS 51 HA LYS 51 88.493 6.926 7.616 405 HB2 LYS 51 HB2 LYS 51 89.700 5.991 10.243 406 HB3 LYS 51 HB1 LYS 51 90.023 7.543 9.486 407 HG2 LYS 51 HG2 LYS 51 88.289 8.179 10.893 408 HG3 LYS 51 HG1 LYS 51 87.343 7.710 9.482 409 HD2 LYS 51 HD2 LYS 51 87.069 5.430 10.467 410 HD3 LYS 51 HD1 LYS 51 87.949 5.968 11.898 411 HE2 LYS 51 HE2 LYS 51 85.385 7.233 10.881 412 HE3 LYS 51 HE1 LYS 51 85.482 6.074 12.207 413 HZ1 LYS 51 HZ1 LYS 51 86.904 7.563 13.408 414 HZ2 LYS 51 HZ2 LYS 51 85.480 8.382 12.974 415 HZ3 LYS 51 HZ3 LYS 51 86.925 8.663 12.114 416 H VAL 52 HN VAL 52 90.118 7.130 6.156 417 HA VAL 52 HA VAL 52 92.305 5.118 6.241 418 HB VAL 52 HB VAL 52 90.651 6.027 3.888 419 HG11 VAL 52 HG11 VAL 52 92.812 5.957 2.973 420 HG12 VAL 52 HG12 VAL 52 92.224 4.324 2.691 421 HG13 VAL 52 HG13 VAL 52 93.312 4.653 4.043 422 HG21 VAL 52 HG21 VAL 52 90.237 3.588 3.675 423 HG22 VAL 52 HG22 VAL 52 89.690 4.200 5.242 424 HG23 VAL 52 HG23 VAL 52 91.208 3.307 5.121 425 H ASN 53 HN ASN 53 94.274 5.794 6.002 426 HA ASN 53 HA ASN 53 95.040 8.186 4.568 427 HB2 ASN 53 HB2 ASN 53 95.383 7.952 7.567 428 HB3 ASN 53 HB1 ASN 53 96.332 9.059 6.576 429 HD21 ASN 53 HD21 ASN 53 94.142 9.740 4.736 430 HD22 ASN 53 HD22 ASN 53 93.021 10.664 5.615 431 H TRP 54 HN TRP 54 97.108 7.831 3.699 432 HA TRP 54 HA TRP 54 98.613 5.510 4.823 433 HB2 TRP 54 HB2 TRP 54 98.664 6.296 1.918 434 HB3 TRP 54 HB1 TRP 54 99.248 4.812 2.667 435 HD1 TRP 54 HD1 TRP 54 96.468 6.074 0.824 436 HE1 TRP 54 HE1 TRP 54 94.398 4.558 0.966 437 HE3 TRP 54 HE3 TRP 54 97.824 3.277 4.809 438 HZ2 TRP 54 HZ2 TRP 54 93.461 2.402 2.643 439 HZ3 TRP 54 HZ3 TRP 54 96.340 1.504 5.685 440 HH2 TRP 54 HH2 TRP 54 94.147 1.067 4.611 441 H TYR 55 HN TYR 55 100.907 5.535 4.514 442 HA TYR 55 HA TYR 55 102.060 8.261 4.287 443 HB2 TYR 55 HB2 TYR 55 102.771 6.048 6.220 444 HB3 TYR 55 HB1 TYR 55 103.749 7.489 5.983 445 HD1 TYR 55 HD1 TYR 55 103.251 9.481 7.160 446 HD2 TYR 55 HD2 TYR 55 100.284 6.390 6.880 447 HE1 TYR 55 HE1 TYR 55 101.810 10.718 8.761 448 HE2 TYR 55 HE2 TYR 55 98.843 7.624 8.478 449 HH TYR 55 HH TYR 55 99.559 9.611 10.484 450 H LEU 56 HN LEU 56 102.981 8.157 2.242 451 HA LEU 56 HA LEU 56 104.562 5.796 1.483 452 HB2 LEU 56 HB2 LEU 56 103.655 8.290 0.046 453 HB3 LEU 56 HB1 LEU 56 104.899 7.256 -0.643 454 HG LEU 56 HG LEU 56 103.167 5.309 -0.206 455 HD11 LEU 56 HD11 LEU 56 101.579 6.653 1.096 456 HD12 LEU 56 HD12 LEU 56 100.822 6.119 -0.400 457 HD13 LEU 56 HD13 LEU 56 101.400 7.781 -0.245 458 HD21 LEU 56 HD21 LEU 56 102.864 7.418 -2.366 459 HD22 LEU 56 HD22 LEU 56 102.044 5.856 -2.405 460 HD23 LEU 56 HD23 LEU 56 103.805 5.928 -2.452 461 H ASN 57 HN ASN 57 106.813 5.747 1.378 462 HA ASN 57 HA ASN 57 108.915 6.340 1.963 463 HB2 ASN 57 HB2 ASN 57 107.941 8.857 0.614 464 HB3 ASN 57 HB1 ASN 57 109.631 8.554 1.021 465 HD21 ASN 57 HD21 ASN 57 109.442 5.631 0.421 466 HD22 ASN 57 HD22 ASN 57 109.353 5.516 -1.271 467 H GLY 58 HN GLY 58 106.434 7.384 3.691 468 HA2 GLY 58 HA2 GLY 58 106.607 7.974 5.990 469 HA3 GLY 58 HA1 GLY 58 108.135 8.794 5.654 470 H GLN 59 HN GLN 59 105.477 9.219 3.481 471 HA GLN 59 HA GLN 59 104.890 11.925 4.557 472 HB2 GLN 59 HB2 GLN 59 105.244 11.047 1.688 473 HB3 GLN 59 HB1 GLN 59 104.470 12.568 2.147 474 HG2 GLN 59 HG2 GLN 59 106.475 13.287 3.317 475 HG3 GLN 59 HG1 GLN 59 107.258 11.737 2.996 476 HE21 GLN 59 HE21 GLN 59 107.903 14.609 2.102 477 HE22 GLN 59 HE22 GLN 59 108.063 14.486 0.417 478 H LEU 60 HN LEU 60 102.793 12.278 4.966 479 HA LEU 60 HA LEU 60 100.846 10.240 4.459 480 HB2 LEU 60 HB2 LEU 60 99.317 12.111 5.498 481 HB3 LEU 60 HB1 LEU 60 100.485 11.273 6.510 482 HG LEU 60 HG LEU 60 101.413 13.746 5.070 483 HD11 LEU 60 HD11 LEU 60 99.707 13.765 7.580 484 HD12 LEU 60 HD12 LEU 60 99.272 14.457 6.020 485 HD13 LEU 60 HD13 LEU 60 100.597 15.151 6.951 486 HD21 LEU 60 HD21 LEU 60 102.729 12.079 6.718 487 HD22 LEU 60 HD22 LEU 60 101.987 13.083 7.951 488 HD23 LEU 60 HD23 LEU 60 103.036 13.810 6.734 489 H ILE 61 HN ILE 61 98.936 10.372 3.232 490 HA ILE 61 HA ILE 61 97.497 11.093 1.655 491 HB ILE 61 HB ILE 61 98.383 13.485 2.677 492 HG12 ILE 61 HG12 ILE 61 96.061 12.881 2.343 493 HG13 ILE 61 HG11 ILE 61 96.366 14.426 1.547 494 HG21 ILE 61 HG21 ILE 61 98.527 13.710 -0.336 495 HG22 ILE 61 HG22 ILE 61 99.898 13.881 0.752 496 HG23 ILE 61 HG23 ILE 61 98.584 15.046 0.802 497 HD11 ILE 61 HD11 ILE 61 95.362 13.426 -0.244 498 HD12 ILE 61 HD12 ILE 61 95.652 11.801 0.368 499 HD13 ILE 61 HD13 ILE 61 96.932 12.662 -0.494 500 H ARG 62 HN ARG 62 97.499 10.043 -0.096 501 HA ARG 62 HA ARG 62 99.847 9.951 -1.823 502 HB2 ARG 62 HB2 ARG 62 98.683 7.822 -1.470 503 HB3 ARG 62 HB1 ARG 62 97.160 8.534 -1.980 504 HG2 ARG 62 HG2 ARG 62 98.126 7.201 -3.805 505 HG3 ARG 62 HG1 ARG 62 98.116 8.904 -4.263 506 HD2 ARG 62 HD2 ARG 62 100.458 9.124 -3.770 507 HD3 ARG 62 HD1 ARG 62 100.509 7.546 -3.005 508 HE ARG 62 HE ARG 62 99.706 7.099 -5.612 509 HH11 ARG 62 HH11 ARG 62 101.756 9.589 -5.320 510 HH12 ARG 62 HH12 ARG 62 103.172 8.828 -5.957 511 HH21 ARG 62 HH21 ARG 62 101.826 5.630 -5.805 512 HH22 ARG 62 HH22 ARG 62 103.210 6.576 -6.237 513 H LYS 63 HN LYS 63 99.867 10.832 -3.913 514 HA LYS 63 HA LYS 63 98.348 13.164 -4.327 515 HB2 LYS 63 HB2 LYS 63 100.044 11.470 -6.153 516 HB3 LYS 63 HB1 LYS 63 99.288 12.958 -6.706 517 HG2 LYS 63 HG2 LYS 63 101.029 12.890 -4.234 518 HG3 LYS 63 HG1 LYS 63 101.724 13.087 -5.840 519 HD2 LYS 63 HD2 LYS 63 100.598 15.157 -6.194 520 HD3 LYS 63 HD1 LYS 63 99.520 14.908 -4.833 521 HE2 LYS 63 HE2 LYS 63 101.259 16.496 -4.203 522 HE3 LYS 63 HE1 LYS 63 101.454 15.005 -3.291 523 HZ1 LYS 63 HZ1 LYS 63 103.178 14.309 -4.769 524 HZ2 LYS 63 HZ2 LYS 63 103.546 15.880 -4.247 525 HZ3 LYS 63 HZ3 LYS 63 102.916 15.627 -5.805 526 H SER 64 HN SER 64 96.450 13.569 -5.314 527 HA SER 64 HA SER 64 94.711 11.385 -5.837 528 HB2 SER 64 HB2 SER 64 93.011 12.947 -5.915 529 HB3 SER 64 HB1 SER 64 94.214 13.801 -4.946 530 HG SER 64 HG SER 64 94.587 15.130 -6.557 531 H LYS 65 HN LYS 65 93.357 13.039 -7.988 532 HA LYS 65 HA LYS 65 93.316 11.658 -10.151 533 HB2 LYS 65 HB2 LYS 65 93.816 14.623 -10.150 534 HB3 LYS 65 HB1 LYS 65 93.325 13.724 -11.581 535 HG2 LYS 65 HG2 LYS 65 91.315 12.922 -10.404 536 HG3 LYS 65 HG1 LYS 65 91.808 13.807 -8.956 537 HD2 LYS 65 HD2 LYS 65 91.718 15.927 -10.262 538 HD3 LYS 65 HD1 LYS 65 91.132 15.022 -11.654 539 HE2 LYS 65 HE2 LYS 65 89.766 15.225 -8.952 540 HE3 LYS 65 HE1 LYS 65 89.246 16.019 -10.440 541 HZ1 LYS 65 HZ1 LYS 65 89.383 13.094 -9.946 542 HZ2 LYS 65 HZ2 LYS 65 89.008 13.798 -11.447 543 HZ3 LYS 65 HZ3 LYS 65 87.977 14.026 -10.116 544 H ARG 66 HN ARG 66 96.377 13.340 -9.384 545 HA ARG 66 HA ARG 66 97.589 12.871 -11.915 546 HB2 ARG 66 HB2 ARG 66 98.794 13.119 -9.146 547 HB3 ARG 66 HB1 ARG 66 99.754 12.995 -10.619 548 HG2 ARG 66 HG2 ARG 66 98.687 15.018 -11.511 549 HG3 ARG 66 HG1 ARG 66 97.687 15.138 -10.063 550 HD2 ARG 66 HD2 ARG 66 99.691 15.405 -8.678 551 HD3 ARG 66 HD1 ARG 66 100.716 15.233 -10.100 552 HE ARG 66 HE ARG 66 98.958 17.319 -10.642 553 HH11 ARG 66 HH11 ARG 66 99.352 19.477 -9.967 554 HH12 ARG 66 HH12 ARG 66 100.744 19.813 -8.998 555 HH21 ARG 66 HH21 ARG 66 101.660 16.480 -8.700 556 HH22 ARG 66 HH22 ARG 66 102.066 18.112 -8.288 557 H PHE 67 HN PHE 67 97.346 10.998 -8.962 558 HA PHE 67 HA PHE 67 98.310 8.562 -10.351 559 HB2 PHE 67 HB2 PHE 67 98.694 9.477 -7.492 560 HB3 PHE 67 HB1 PHE 67 98.873 7.787 -7.969 561 HD1 PHE 67 HD1 PHE 67 100.225 11.218 -8.457 562 HD2 PHE 67 HD2 PHE 67 100.737 7.031 -9.261 563 HE1 PHE 67 HE1 PHE 67 102.530 11.654 -9.272 564 HE2 PHE 67 HE2 PHE 67 103.038 7.468 -10.072 565 HZ PHE 67 HZ PHE 67 103.934 9.776 -10.080 566 H ARG 68 HN ARG 68 97.132 6.640 -9.932 567 HA ARG 68 HA ARG 68 94.345 7.020 -9.533 568 HB2 ARG 68 HB2 ARG 68 95.338 5.295 -11.005 569 HB3 ARG 68 HB1 ARG 68 95.957 4.462 -9.576 570 HG2 ARG 68 HG2 ARG 68 93.653 4.202 -8.728 571 HG3 ARG 68 HG1 ARG 68 93.038 5.021 -10.159 572 HD2 ARG 68 HD2 ARG 68 94.108 3.256 -11.572 573 HD3 ARG 68 HD1 ARG 68 94.565 2.406 -10.099 574 HE ARG 68 HE ARG 68 91.774 2.926 -10.080 575 HH11 ARG 68 HH11 ARG 68 92.795 0.215 -9.390 576 HH12 ARG 68 HH12 ARG 68 92.307 -0.735 -10.752 577 HH21 ARG 68 HH21 ARG 68 91.797 2.005 -12.817 578 HH22 ARG 68 HH22 ARG 68 91.735 0.282 -12.694 579 H VAL 69 HN VAL 69 93.373 7.313 -7.645 580 HA VAL 69 HA VAL 69 93.884 5.527 -5.423 581 HB VAL 69 HB VAL 69 95.551 7.459 -5.215 582 HG11 VAL 69 HG11 VAL 69 94.773 9.567 -4.459 583 HG12 VAL 69 HG12 VAL 69 93.116 8.988 -4.286 584 HG13 VAL 69 HG13 VAL 69 93.814 9.192 -5.894 585 HG21 VAL 69 HG21 VAL 69 95.052 6.057 -3.302 586 HG22 VAL 69 HG22 VAL 69 93.542 6.914 -3.012 587 HG23 VAL 69 HG23 VAL 69 95.078 7.737 -2.763 588 H ARG 70 HN ARG 70 92.094 5.277 -4.146 589 HA ARG 70 HA ARG 70 89.775 7.076 -4.604 590 HB2 ARG 70 HB2 ARG 70 89.755 4.056 -4.413 591 HB3 ARG 70 HB1 ARG 70 88.329 5.070 -4.545 592 HG2 ARG 70 HG2 ARG 70 90.537 5.061 -6.618 593 HG3 ARG 70 HG1 ARG 70 89.131 3.994 -6.711 594 HD2 ARG 70 HD2 ARG 70 87.687 6.083 -6.547 595 HD3 ARG 70 HD1 ARG 70 89.162 7.024 -6.779 596 HE ARG 70 HE ARG 70 88.555 4.959 -8.774 597 HH11 ARG 70 HH11 ARG 70 87.195 6.033 -10.479 598 HH12 ARG 70 HH12 ARG 70 87.725 7.610 -10.953 599 HH21 ARG 70 HH21 ARG 70 89.828 8.012 -8.222 600 HH22 ARG 70 HH22 ARG 70 89.191 8.750 -9.647 601 H TYR 71 HN TYR 71 89.869 8.110 -2.663 602 HA TYR 71 HA TYR 71 90.509 6.739 -0.244 603 HB2 TYR 71 HB2 TYR 71 89.126 9.414 -0.620 604 HB3 TYR 71 HB1 TYR 71 89.870 8.826 0.871 605 HD1 TYR 71 HD1 TYR 71 90.461 10.331 -2.418 606 HD2 TYR 71 HD2 TYR 71 92.317 8.507 1.004 607 HE1 TYR 71 HE1 TYR 71 92.653 11.283 -3.094 608 HE2 TYR 71 HE2 TYR 71 94.499 9.449 0.323 609 HH TYR 71 HH TYR 71 94.782 11.665 -2.410 610 H ASP 72 HN ASP 72 89.157 5.094 0.171 611 HA ASP 72 HA ASP 72 86.687 5.601 1.426 612 HB2 ASP 72 HB2 ASP 72 85.942 5.959 -0.919 613 HB3 ASP 72 HB1 ASP 72 86.492 4.342 -1.329 614 H GLY 73 HN GLY 73 88.972 3.467 -0.090 615 HA2 GLY 73 HA2 GLY 73 89.218 1.655 1.991 616 HA3 GLY 73 HA1 GLY 73 88.006 0.990 0.903 617 H ILE 74 HN ILE 74 89.304 2.361 -1.397 618 HA ILE 74 HA ILE 74 91.460 0.391 -1.882 619 HB ILE 74 HB ILE 74 89.590 1.873 -3.737 620 HG12 ILE 74 HG12 ILE 74 89.153 -0.685 -4.330 621 HG13 ILE 74 HG11 ILE 74 89.755 -0.949 -2.694 622 HG21 ILE 74 HG21 ILE 74 92.040 0.207 -4.259 623 HG22 ILE 74 HG22 ILE 74 91.574 1.757 -4.962 624 HG23 ILE 74 HG23 ILE 74 90.739 0.286 -5.445 625 HD11 ILE 74 HD11 ILE 74 87.263 -0.699 -2.834 626 HD12 ILE 74 HD12 ILE 74 87.496 0.953 -3.398 627 HD13 ILE 74 HD13 ILE 74 88.018 0.488 -1.782 628 H HIS 75 HN HIS 75 93.498 1.154 -2.055 629 HA HIS 75 HA HIS 75 93.910 3.848 -3.200 630 HB2 HIS 75 HB2 HIS 75 95.872 4.048 -1.573 631 HB3 HIS 75 HB1 HIS 75 94.250 4.303 -0.920 632 HD1 HIS 75 HD1 HIS 75 93.254 1.553 -0.344 633 HD2 HIS 75 HD2 HIS 75 97.223 2.632 0.325 634 HE1 HIS 75 HE1 HIS 75 94.121 0.004 1.464 635 H TYR 76 HN TYR 76 94.863 3.448 -5.051 636 HA TYR 76 HA TYR 76 96.829 1.265 -5.296 637 HB2 TYR 76 HB2 TYR 76 95.120 2.834 -7.198 638 HB3 TYR 76 HB1 TYR 76 96.651 2.224 -7.819 639 HD1 TYR 76 HD1 TYR 76 94.425 0.643 -5.251 640 HD2 TYR 76 HD2 TYR 76 95.971 0.458 -9.260 641 HE1 TYR 76 HE1 TYR 76 93.412 -1.601 -5.545 642 HE2 TYR 76 HE2 TYR 76 94.961 -1.791 -9.543 643 HH TYR 76 HH TYR 76 92.732 -2.973 -8.212 644 H LEU 77 HN LEU 77 98.851 1.760 -4.858 645 HA LEU 77 HA LEU 77 99.884 4.484 -5.325 646 HB2 LEU 77 HB2 LEU 77 101.395 2.217 -4.017 647 HB3 LEU 77 HB1 LEU 77 101.627 3.957 -3.829 648 HG LEU 77 HG LEU 77 99.263 2.340 -2.826 649 HD11 LEU 77 HD11 LEU 77 101.173 2.044 -1.387 650 HD12 LEU 77 HD12 LEU 77 100.116 3.210 -0.602 651 HD13 LEU 77 HD13 LEU 77 101.561 3.760 -1.455 652 HD21 LEU 77 HD21 LEU 77 98.709 4.618 -1.745 653 HD22 LEU 77 HD22 LEU 77 98.376 4.451 -3.468 654 HD23 LEU 77 HD23 LEU 77 99.817 5.311 -2.926 655 H ASP 78 HN ASP 78 100.203 4.485 -7.576 656 HA ASP 78 HA ASP 78 101.862 2.287 -8.697 657 HB2 ASP 78 HB2 ASP 78 99.874 4.178 -9.946 658 HB3 ASP 78 HB1 ASP 78 100.959 3.169 -10.900 659 H ILE 79 HN ILE 79 103.693 2.670 -9.857 660 HA ILE 79 HA ILE 79 104.605 5.476 -10.156 661 HB ILE 79 HB ILE 79 105.933 4.718 -8.347 662 HG12 ILE 79 HG12 ILE 79 107.573 4.001 -10.809 663 HG13 ILE 79 HG11 ILE 79 107.257 5.658 -10.283 664 HG21 ILE 79 HG21 ILE 79 107.034 2.511 -8.350 665 HG22 ILE 79 HG22 ILE 79 106.251 2.136 -9.886 666 HG23 ILE 79 HG23 ILE 79 105.280 2.371 -8.434 667 HD11 ILE 79 HD11 ILE 79 108.292 5.045 -8.053 668 HD12 ILE 79 HD12 ILE 79 109.413 4.999 -9.414 669 HD13 ILE 79 HD13 ILE 79 108.750 3.496 -8.763 670 H VAL 80 HN VAL 80 106.300 5.667 -11.914 671 HA VAL 80 HA VAL 80 106.132 3.557 -13.936 672 HB VAL 80 HB VAL 80 105.558 6.482 -14.506 673 HG11 VAL 80 HG11 VAL 80 104.837 5.391 -16.757 674 HG12 VAL 80 HG12 VAL 80 105.819 4.018 -16.238 675 HG13 VAL 80 HG13 VAL 80 106.562 5.599 -16.459 676 HG21 VAL 80 HG21 VAL 80 103.725 4.067 -14.491 677 HG22 VAL 80 HG22 VAL 80 103.276 5.686 -15.021 678 HG23 VAL 80 HG23 VAL 80 103.697 5.399 -13.334 679 H ASP 81 HN ASP 81 107.243 6.638 -14.896 680 HA ASP 81 HA ASP 81 110.046 6.042 -14.195 681 HB2 ASP 81 HB2 ASP 81 108.959 6.688 -16.943 682 HB3 ASP 81 HB1 ASP 81 110.658 6.826 -16.517 683 H CYS 82 HN CYS 82 108.776 7.779 -12.675 684 HA CYS 82 HA CYS 82 109.199 10.479 -13.827 685 HB2 CYS 82 HB2 CYS 82 107.620 9.513 -11.433 686 HB3 CYS 82 HB1 CYS 82 107.902 11.218 -11.795 687 HG CYS 82 HG CYS 82 106.321 11.093 -13.735 688 H LYS 83 HN LYS 83 109.200 9.587 -10.457 689 HA LYS 83 HA LYS 83 112.097 10.158 -10.214 690 HB2 LYS 83 HB2 LYS 83 111.395 11.248 -7.963 691 HB3 LYS 83 HB1 LYS 83 111.155 12.174 -9.441 692 HG2 LYS 83 HG2 LYS 83 108.814 11.592 -9.511 693 HG3 LYS 83 HG1 LYS 83 109.005 10.462 -8.174 694 HD2 LYS 83 HD2 LYS 83 108.034 12.577 -7.376 695 HD3 LYS 83 HD1 LYS 83 109.635 12.330 -6.684 696 HE2 LYS 83 HE2 LYS 83 110.619 13.963 -8.075 697 HE3 LYS 83 HE1 LYS 83 109.294 13.916 -9.232 698 HZ1 LYS 83 HZ1 LYS 83 108.409 15.606 -8.143 699 HZ2 LYS 83 HZ2 LYS 83 109.599 15.529 -6.930 700 HZ3 LYS 83 HZ3 LYS 83 108.184 14.601 -6.798 701 H SER 84 HN SER 84 113.097 8.451 -9.243 702 HA SER 84 HA SER 84 111.557 6.822 -7.329 703 HB2 SER 84 HB2 SER 84 113.266 5.280 -9.176 704 HB3 SER 84 HB1 SER 84 111.633 4.937 -8.615 705 HG SER 84 HG SER 84 110.842 6.006 -10.271 706 H TYR 85 HN TYR 85 114.734 7.598 -8.705 707 HA TYR 85 HA TYR 85 116.423 6.102 -7.104 708 HB2 TYR 85 HB2 TYR 85 117.347 7.223 -8.967 709 HB3 TYR 85 HB1 TYR 85 116.769 8.788 -8.422 710 HD1 TYR 85 HD1 TYR 85 118.785 5.979 -6.942 711 HD2 TYR 85 HD2 TYR 85 118.467 10.193 -7.678 712 HE1 TYR 85 HE1 TYR 85 120.931 6.340 -5.763 713 HE2 TYR 85 HE2 TYR 85 120.610 10.561 -6.495 714 HH TYR 85 HH TYR 85 122.499 9.477 -5.736 715 H ASP 86 HN ASP 86 114.874 6.419 -5.054 716 HA ASP 86 HA ASP 86 116.452 7.947 -3.195 717 HB2 ASP 86 HB2 ASP 86 114.958 9.702 -4.045 718 HB3 ASP 86 HB1 ASP 86 113.552 8.698 -3.676 719 H THR 87 HN THR 87 116.690 6.553 -1.572 720 HA THR 87 HA THR 87 114.808 4.421 -1.163 721 HB THR 87 HB THR 87 116.354 3.649 0.531 722 HG1 THR 87 HG1 THR 87 118.090 5.768 0.235 723 HG21 THR 87 HG21 THR 87 118.275 3.343 -0.843 724 HG22 THR 87 HG22 THR 87 118.031 4.896 -1.660 725 HG23 THR 87 HG23 THR 87 116.937 3.548 -1.971 726 H GLY 88 HN GLY 88 112.930 4.708 -0.115 727 HA2 GLY 88 HA2 GLY 88 112.878 6.508 2.245 728 HA3 GLY 88 HA1 GLY 88 111.556 6.413 1.084 729 H GLU 89 HN GLU 89 110.253 5.874 2.997 730 HA GLU 89 HA GLU 89 110.285 2.952 3.473 731 HB2 GLU 89 HB2 GLU 89 110.012 5.083 5.611 732 HB3 GLU 89 HB1 GLU 89 109.703 3.367 5.859 733 HG2 GLU 89 HG2 GLU 89 112.010 2.828 5.246 734 HG3 GLU 89 HG1 GLU 89 112.332 4.533 4.932 735 H VAL 90 HN VAL 90 108.267 2.039 3.367 736 HA VAL 90 HA VAL 90 105.970 3.884 3.114 737 HB VAL 90 HB VAL 90 106.457 1.089 2.061 738 HG11 VAL 90 HG11 VAL 90 104.182 0.982 2.638 739 HG12 VAL 90 HG12 VAL 90 104.123 1.556 0.974 740 HG13 VAL 90 HG13 VAL 90 103.915 2.694 2.307 741 HG21 VAL 90 HG21 VAL 90 105.941 2.313 -0.114 742 HG22 VAL 90 HG22 VAL 90 107.465 2.747 0.663 743 HG23 VAL 90 HG23 VAL 90 106.069 3.812 0.801 744 H LYS 91 HN LYS 91 104.325 3.707 4.449 745 HA LYS 91 HA LYS 91 104.001 1.452 6.253 746 HB2 LYS 91 HB2 LYS 91 105.426 3.131 7.461 747 HB3 LYS 91 HB1 LYS 91 104.169 4.337 7.188 748 HG2 LYS 91 HG2 LYS 91 102.558 2.922 8.434 749 HG3 LYS 91 HG1 LYS 91 103.841 1.747 8.739 750 HD2 LYS 91 HD2 LYS 91 105.150 3.496 9.904 751 HD3 LYS 91 HD1 LYS 91 103.852 4.646 9.619 752 HE2 LYS 91 HE2 LYS 91 102.303 3.207 10.917 753 HE3 LYS 91 HE1 LYS 91 103.635 2.099 11.241 754 HZ1 LYS 91 HZ1 LYS 91 103.134 4.775 12.306 755 HZ2 LYS 91 HZ2 LYS 91 104.752 4.346 12.022 756 HZ3 LYS 91 HZ3 LYS 91 103.792 3.410 13.072 757 H VAL 92 HN VAL 92 101.894 1.029 6.387 758 HA VAL 92 HA VAL 92 100.023 3.052 5.294 759 HB VAL 92 HB VAL 92 98.612 1.131 4.705 760 HG11 VAL 92 HG11 VAL 92 101.420 0.852 3.639 761 HG12 VAL 92 HG12 VAL 92 100.286 2.107 3.135 762 HG13 VAL 92 HG13 VAL 92 99.925 0.410 2.816 763 HG21 VAL 92 HG21 VAL 92 100.995 -0.521 5.577 764 HG22 VAL 92 HG22 VAL 92 99.512 -1.137 4.849 765 HG23 VAL 92 HG23 VAL 92 99.471 -0.421 6.456 766 H THR 93 HN THR 93 98.208 3.609 6.455 767 HA THR 93 HA THR 93 97.770 2.164 9.021 768 HB THR 93 HB THR 93 97.626 4.228 10.257 769 HG1 THR 93 HG1 THR 93 98.576 5.641 8.028 770 HG21 THR 93 HG21 THR 93 99.973 4.864 10.200 771 HG22 THR 93 HG22 THR 93 100.148 4.188 8.583 772 HG23 THR 93 HG23 THR 93 99.835 3.121 9.959 773 H ALA 94 HN ALA 94 95.769 1.747 9.478 774 HA ALA 94 HA ALA 94 93.573 3.323 8.240 775 HB1 ALA 94 HB1 ALA 94 93.808 0.341 8.708 776 HB2 ALA 94 HB2 ALA 94 93.580 1.159 7.160 777 HB3 ALA 94 HB3 ALA 94 92.281 1.136 8.349 778 H GLU 95 HN GLU 95 91.588 3.305 9.665 779 HA GLU 95 HA GLU 95 92.017 2.452 12.417 780 HB2 GLU 95 HB2 GLU 95 93.129 4.627 12.360 781 HB3 GLU 95 HB1 GLU 95 91.659 5.372 11.740 782 HG2 GLU 95 HG2 GLU 95 90.453 4.728 13.790 783 HG3 GLU 95 HG1 GLU 95 91.901 3.929 14.402 784 H ASN 96 HN ASN 96 90.174 1.179 12.341 785 HA ASN 96 HA ASN 96 87.674 2.326 11.433 786 HB2 ASN 96 HB2 ASN 96 88.038 -0.271 12.937 787 HB3 ASN 96 HB1 ASN 96 86.779 0.154 11.781 788 HD21 ASN 96 HD21 ASN 96 87.137 -1.128 9.926 789 HD22 ASN 96 HD22 ASN 96 88.650 -1.357 9.197 790 HA PRO 97 HA PRO 97 86.351 3.779 15.402 791 HB2 PRO 97 HB2 PRO 97 83.735 2.534 15.572 792 HB3 PRO 97 HB1 PRO 97 84.125 4.195 15.102 793 HG2 PRO 97 HG2 PRO 97 83.145 2.231 13.397 794 HG3 PRO 97 HG1 PRO 97 83.947 3.724 12.890 795 HD2 PRO 97 HD2 PRO 97 85.035 0.953 12.992 796 HD3 PRO 97 HD1 PRO 97 85.473 2.294 11.924 797 H GLU 98 HN GLU 98 86.248 0.328 14.986 798 HA GLU 98 HA GLU 98 86.155 -0.096 17.915 799 HB2 GLU 98 HB2 GLU 98 85.709 -1.988 15.598 800 HB3 GLU 98 HB1 GLU 98 85.783 -2.497 17.287 801 HG2 GLU 98 HG2 GLU 98 83.466 -2.184 16.816 802 HG3 GLU 98 HG1 GLU 98 83.952 -0.761 17.745 803 H GLY 99 HN GLY 99 88.512 0.279 15.575 804 HA2 GLY 99 HA2 GLY 99 90.504 -0.785 17.307 805 HA3 GLY 99 HA1 GLY 99 90.269 -1.817 15.903 806 H VAL 100 HN VAL 100 92.648 -0.907 16.115 807 HA VAL 100 HA VAL 100 92.942 1.048 13.953 808 HB VAL 100 HB VAL 100 93.214 2.430 15.921 809 HG11 VAL 100 HG11 VAL 100 95.348 0.487 16.839 810 HG12 VAL 100 HG12 VAL 100 93.693 0.462 17.446 811 HG13 VAL 100 HG13 VAL 100 94.712 1.876 17.721 812 HG21 VAL 100 HG21 VAL 100 96.010 1.717 14.987 813 HG22 VAL 100 HG22 VAL 100 95.394 3.297 15.466 814 HG23 VAL 100 HG23 VAL 100 94.860 2.569 13.952 815 H ILE 101 HN ILE 101 94.615 0.583 12.584 816 HA ILE 101 HA ILE 101 96.490 -1.575 13.345 817 HB ILE 101 HB ILE 101 95.044 -1.392 10.695 818 HG12 ILE 101 HG12 ILE 101 94.701 -3.519 12.826 819 HG13 ILE 101 HG11 ILE 101 93.624 -2.128 12.688 820 HG21 ILE 101 HG21 ILE 101 97.170 -3.214 11.836 821 HG22 ILE 101 HG22 ILE 101 97.114 -2.423 10.258 822 HG23 ILE 101 HG23 ILE 101 96.066 -3.806 10.592 823 HD11 ILE 101 HD11 ILE 101 94.206 -3.808 10.250 824 HD12 ILE 101 HD12 ILE 101 92.793 -2.809 10.608 825 HD13 ILE 101 HD13 ILE 101 93.010 -4.354 11.428 826 H GLU 102 HN GLU 102 98.421 -1.617 12.272 827 HA GLU 102 HA GLU 102 99.101 0.338 10.267 828 HB2 GLU 102 HB2 GLU 102 100.918 1.387 11.518 829 HB3 GLU 102 HB1 GLU 102 99.389 1.664 12.349 830 HG2 GLU 102 HG2 GLU 102 99.909 -0.301 13.821 831 HG3 GLU 102 HG1 GLU 102 101.494 -0.405 13.052 832 H HIS 103 HN HIS 103 100.801 -0.366 9.029 833 HA HIS 103 HA HIS 103 102.293 -2.764 9.935 834 HB2 HIS 103 HB2 HIS 103 100.612 -2.382 7.484 835 HB3 HIS 103 HB1 HIS 103 102.113 -3.285 7.294 836 HD1 HIS 103 HD1 HIS 103 98.669 -3.836 8.068 837 HD2 HIS 103 HD2 HIS 103 102.243 -5.440 9.497 838 HE1 HIS 103 HE1 HIS 103 98.082 -6.052 9.142 839 H LYS 104 HN LYS 104 104.437 -2.639 9.624 840 HA LYS 104 HA LYS 104 105.488 -0.308 8.114 841 HB2 LYS 104 HB2 LYS 104 107.502 -0.585 9.562 842 HB3 LYS 104 HB1 LYS 104 106.028 -0.233 10.464 843 HG2 LYS 104 HG2 LYS 104 105.756 -2.706 10.835 844 HG3 LYS 104 HG1 LYS 104 107.340 -2.935 10.115 845 HD2 LYS 104 HD2 LYS 104 108.323 -1.443 11.817 846 HD3 LYS 104 HD1 LYS 104 106.732 -1.261 12.556 847 HE2 LYS 104 HE2 LYS 104 108.281 -3.850 12.258 848 HE3 LYS 104 HE1 LYS 104 107.999 -2.970 13.757 849 HZ1 LYS 104 HZ1 LYS 104 105.510 -3.221 12.932 850 HZ2 LYS 104 HZ2 LYS 104 106.280 -4.409 13.872 851 HZ3 LYS 104 HZ3 LYS 104 106.158 -4.602 12.190 852 H VAL 105 HN VAL 105 106.476 -0.624 6.315 853 HA VAL 105 HA VAL 105 108.150 -2.993 5.848 854 HB VAL 105 HB VAL 105 105.923 -3.534 4.888 855 HG11 VAL 105 HG11 VAL 105 105.299 -1.134 4.477 856 HG12 VAL 105 HG12 VAL 105 104.966 -2.207 3.111 857 HG13 VAL 105 HG13 VAL 105 106.380 -1.146 3.079 858 HG21 VAL 105 HG21 VAL 105 107.623 -4.613 3.692 859 HG22 VAL 105 HG22 VAL 105 108.325 -3.106 3.103 860 HG23 VAL 105 HG23 VAL 105 106.826 -3.710 2.406 861 H LYS 106 HN LYS 106 109.972 -2.464 4.705 862 HA LYS 106 HA LYS 106 110.276 0.393 4.019 863 HB2 LYS 106 HB2 LYS 106 112.237 -1.785 4.754 864 HB3 LYS 106 HB1 LYS 106 112.751 -0.226 4.118 865 HG2 LYS 106 HG2 LYS 106 112.834 0.156 6.428 866 HG3 LYS 106 HG1 LYS 106 111.228 0.759 6.041 867 HD2 LYS 106 HD2 LYS 106 110.292 -1.483 6.683 868 HD3 LYS 106 HD1 LYS 106 111.903 -1.971 7.176 869 HE2 LYS 106 HE2 LYS 106 110.451 0.444 8.276 870 HE3 LYS 106 HE1 LYS 106 110.459 -1.138 9.055 871 HZ1 LYS 106 HZ1 LYS 106 112.262 -0.305 10.066 872 HZ2 LYS 106 HZ2 LYS 106 112.572 0.832 8.841 873 HZ3 LYS 106 HZ3 LYS 106 113.053 -0.784 8.645 874 H LEU 107 HN LEU 107 110.767 1.120 2.078 875 HA LEU 107 HA LEU 107 111.356 -0.818 -0.091 876 HB2 LEU 107 HB2 LEU 107 109.464 1.539 -0.027 877 HB3 LEU 107 HB1 LEU 107 110.191 1.026 -1.548 878 HG LEU 107 HG LEU 107 109.321 -1.285 -1.148 879 HD11 LEU 107 HD11 LEU 107 108.858 -1.732 1.035 880 HD12 LEU 107 HD12 LEU 107 107.279 -1.040 0.688 881 HD13 LEU 107 HD13 LEU 107 108.532 -0.048 1.434 882 HD21 LEU 107 HD21 LEU 107 106.816 -0.569 -1.391 883 HD22 LEU 107 HD22 LEU 107 107.968 -0.006 -2.602 884 HD23 LEU 107 HD23 LEU 107 107.440 1.081 -1.318 885 H GLU 108 HN GLU 108 113.274 -0.442 -1.041 886 HA GLU 108 HA GLU 108 114.504 2.235 -0.715 887 HB2 GLU 108 HB2 GLU 108 116.137 -0.268 -1.063 888 HB3 GLU 108 HB1 GLU 108 116.595 1.271 -0.347 889 HG2 GLU 108 HG2 GLU 108 115.113 0.851 1.564 890 HG3 GLU 108 HG1 GLU 108 114.607 -0.677 0.851 891 H ILE 109 HN ILE 109 114.685 3.291 -2.613 892 HA ILE 109 HA ILE 109 114.753 1.678 -5.092 893 HB ILE 109 HB ILE 109 114.215 4.611 -4.722 894 HG12 ILE 109 HG12 ILE 109 112.287 2.343 -5.287 895 HG13 ILE 109 HG11 ILE 109 112.466 3.137 -3.725 896 HG21 ILE 109 HG21 ILE 109 113.258 4.171 -7.126 897 HG22 ILE 109 HG22 ILE 109 114.270 2.742 -7.092 898 HG23 ILE 109 HG23 ILE 109 114.990 4.328 -6.936 899 HD11 ILE 109 HD11 ILE 109 110.571 4.125 -4.900 900 HD12 ILE 109 HD12 ILE 109 111.577 4.437 -6.321 901 HD13 ILE 109 HD13 ILE 109 111.877 5.312 -4.816 902 H GLN 110 HN GLN 110 116.634 1.389 -6.019 903 HA GLN 110 HA GLN 110 118.898 3.157 -5.409 904 HB2 GLN 110 HB2 GLN 110 118.932 0.568 -5.373 905 HB3 GLN 110 HB1 GLN 110 118.996 0.683 -7.125 906 HG2 GLN 110 HG2 GLN 110 121.270 0.604 -6.431 907 HG3 GLN 110 HG1 GLN 110 120.965 2.301 -6.788 908 HE21 GLN 110 HE21 GLN 110 122.080 3.495 -5.252 909 HE22 GLN 110 HE22 GLN 110 122.068 3.183 -3.585 910 H GLN 111 HN GLN 111 119.871 1.942 -8.176 911 HA GLN 111 HA GLN 111 118.436 3.611 -10.069 912 HB2 GLN 111 HB2 GLN 111 119.933 5.265 -9.096 913 HB3 GLN 111 HB1 GLN 111 121.321 4.205 -9.347 914 HG2 GLN 111 HG2 GLN 111 121.106 4.361 -11.738 915 HG3 GLN 111 HG1 GLN 111 119.554 5.184 -11.603 916 HE21 GLN 111 HE21 GLN 111 119.685 7.403 -11.825 917 HE22 GLN 111 HE22 GLN 111 121.052 8.341 -11.477 918 H LEU 112 HN LEU 112 119.161 3.265 -12.292 919 HA LEU 112 HA LEU 112 119.513 0.634 -13.048 920 HB2 LEU 112 HB2 LEU 112 120.708 3.009 -14.483 921 HB3 LEU 112 HB1 LEU 112 120.273 1.453 -15.200 922 HG LEU 112 HG LEU 112 118.350 3.393 -13.897 923 HD11 LEU 112 HD11 LEU 112 117.504 3.644 -16.236 924 HD12 LEU 112 HD12 LEU 112 118.872 2.685 -16.790 925 HD13 LEU 112 HD13 LEU 112 119.147 4.251 -16.022 926 HD21 LEU 112 HD21 LEU 112 117.367 1.262 -13.626 927 HD22 LEU 112 HD22 LEU 112 118.050 0.650 -15.125 928 HD23 LEU 112 HD23 LEU 112 116.704 1.784 -15.165 929 H GLU 113 HN GLU 113 121.281 -0.686 -13.581 930 HA GLU 113 HA GLU 113 123.637 -0.245 -11.994 931 HB2 GLU 113 HB2 GLU 113 124.411 -2.404 -13.230 932 HB3 GLU 113 HB1 GLU 113 123.069 -2.517 -12.100 933 HG2 GLU 113 HG2 GLU 113 121.475 -2.357 -13.998 934 HG3 GLU 113 HG1 GLU 113 122.832 -2.273 -15.121 935 H HIS 114 HN HIS 114 125.078 1.217 -12.604 936 HA HIS 114 HA HIS 114 125.605 1.763 -15.417 937 HB2 HIS 114 HB2 HIS 114 125.479 3.571 -13.711 938 HB3 HIS 114 HB1 HIS 114 126.908 2.889 -12.928 939 HD1 HIS 114 HD1 HIS 114 129.147 2.937 -14.319 940 HD2 HIS 114 HD2 HIS 114 126.016 5.129 -15.977 941 HE1 HIS 114 HE1 HIS 114 130.189 4.488 -16.026 942 H HIS 115 HN HIS 115 127.188 0.846 -16.562 943 HA HIS 115 HA HIS 115 128.806 -1.220 -15.515 944 HB2 HIS 115 HB2 HIS 115 129.009 0.357 -18.092 945 HB3 HIS 115 HB1 HIS 115 129.980 -1.074 -17.728 946 HD1 HIS 115 HD1 HIS 115 128.446 -3.285 -17.065 947 HD2 HIS 115 HD2 HIS 115 126.575 -0.254 -19.231 948 HE1 HIS 115 HE1 HIS 115 126.399 -4.326 -18.135 949 H HIS 116 HN HIS 116 131.317 -0.834 -16.529 950 HA HIS 116 HA HIS 116 132.532 0.741 -14.472 951 HB2 HIS 116 HB2 HIS 116 133.734 -0.606 -16.899 952 HB3 HIS 116 HB1 HIS 116 134.645 0.047 -15.538 953 HD1 HIS 116 HD1 HIS 116 134.192 -1.107 -13.169 954 HD2 HIS 116 HD2 HIS 116 132.696 -3.174 -16.465 955 HE1 HIS 116 HE1 HIS 116 133.650 -3.444 -12.360 956 H HIS 117 HN HIS 117 133.458 2.712 -14.593 957 HA HIS 117 HA HIS 117 132.678 4.459 -16.743 958 HB2 HIS 117 HB2 HIS 117 132.757 5.225 -14.402 959 HB3 HIS 117 HB1 HIS 117 134.492 4.947 -14.366 960 HD1 HIS 117 HD1 HIS 117 131.878 7.183 -15.881 961 HD2 HIS 117 HD2 HIS 117 136.036 6.945 -15.679 962 HE1 HIS 117 HE1 HIS 117 132.766 9.361 -16.816 963 H HIS 118 HN HIS 118 135.044 2.221 -16.457 964 HA HIS 118 HA HIS 118 137.343 3.541 -17.462 965 HB2 HIS 118 HB2 HIS 118 137.379 1.317 -16.357 966 HB3 HIS 118 HB1 HIS 118 136.535 0.638 -17.752 967 HD1 HIS 118 HD1 HIS 118 139.692 2.710 -17.141 968 HD2 HIS 118 HD2 HIS 118 138.272 -0.298 -19.650 969 HE1 HIS 118 HE1 HIS 118 141.615 2.087 -18.669 970 H HIS 119 HN HIS 119 134.695 1.773 -19.032 971 HA HIS 119 HA HIS 119 133.983 1.692 -21.212 972 HB2 HIS 119 HB2 HIS 119 135.534 4.285 -21.503 973 HB3 HIS 119 HB1 HIS 119 134.329 3.665 -22.623 974 HD1 HIS 119 HD1 HIS 119 134.687 5.769 -19.692 975 HD2 HIS 119 HD2 HIS 119 131.644 3.403 -21.282 976 HE1 HIS 119 HE1 HIS 119 132.540 6.525 -18.585 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 73.364 18.414 -6.701 2 H2 ARG 1 HT2 ARG 1 72.586 16.926 -6.961 3 H3 ARG 1 HT3 ARG 1 72.198 18.272 -7.923 4 HA ARG 1 HA ARG 1 73.584 16.903 -9.243 5 HB2 ARG 1 HB2 ARG 1 74.071 19.362 -9.233 6 HB3 ARG 1 HB1 ARG 1 75.297 19.073 -7.995 7 HG2 ARG 1 HG2 ARG 1 76.516 17.579 -9.526 8 HG3 ARG 1 HG1 ARG 1 75.283 17.826 -10.763 9 HD2 ARG 1 HD2 ARG 1 75.784 20.278 -10.687 10 HD3 ARG 1 HD1 ARG 1 77.110 19.937 -9.586 11 HE ARG 1 HE ARG 1 77.023 19.335 -12.447 12 HH11 ARG 1 HH11 ARG 1 78.131 16.930 -11.024 13 HH12 ARG 1 HH12 ARG 1 79.828 17.279 -10.976 14 HH21 ARG 1 HH21 ARG 1 79.418 20.651 -11.664 15 HH22 ARG 1 HH22 ARG 1 80.556 19.386 -11.338 16 H MET 2 HN MET 2 74.364 17.083 -5.902 17 HA MET 2 HA MET 2 76.859 15.775 -5.884 18 HB2 MET 2 HB2 MET 2 74.659 15.802 -3.799 19 HB3 MET 2 HB1 MET 2 76.303 15.243 -3.520 20 HG2 MET 2 HG2 MET 2 75.487 18.048 -4.337 21 HG3 MET 2 HG1 MET 2 76.049 17.560 -2.741 22 HE1 MET 2 HE1 MET 2 79.600 16.835 -2.904 23 HE2 MET 2 HE2 MET 2 78.819 15.516 -3.773 24 HE3 MET 2 HE3 MET 2 78.020 16.241 -2.379 25 H ALA 3 HN ALA 3 73.538 14.508 -5.766 26 HA ALA 3 HA ALA 3 74.480 11.756 -5.641 27 HB1 ALA 3 HB1 ALA 3 72.112 11.173 -5.646 28 HB2 ALA 3 HB2 ALA 3 71.683 12.829 -6.075 29 HB3 ALA 3 HB3 ALA 3 72.391 12.483 -4.497 30 H HIS 4 HN HIS 4 74.343 10.231 -7.298 31 HA HIS 4 HA HIS 4 74.113 11.363 -10.027 32 HB2 HIS 4 HB2 HIS 4 75.473 8.848 -9.023 33 HB3 HIS 4 HB1 HIS 4 75.391 9.347 -10.713 34 HD1 HIS 4 HD1 HIS 4 77.012 10.227 -7.438 35 HD2 HIS 4 HD2 HIS 4 77.056 11.568 -11.387 36 HE1 HIS 4 HE1 HIS 4 78.958 11.842 -7.626 37 H GLU 5 HN GLU 5 72.329 10.917 -11.164 38 HA GLU 5 HA GLU 5 70.549 8.744 -10.321 39 HB2 GLU 5 HB2 GLU 5 68.954 9.750 -11.930 40 HB3 GLU 5 HB1 GLU 5 69.532 10.921 -10.746 41 HG2 GLU 5 HG2 GLU 5 69.673 12.064 -12.804 42 HG3 GLU 5 HG1 GLU 5 71.320 11.534 -12.497 43 H GLY 6 HN GLY 6 73.010 9.275 -12.607 44 HA2 GLY 6 HA2 GLY 6 72.023 7.652 -14.748 45 HA3 GLY 6 HA1 GLY 6 73.692 8.157 -14.511 46 H ALA 7 HN ALA 7 73.151 5.630 -15.445 47 HA ALA 7 HA ALA 7 72.880 3.609 -13.522 48 HB1 ALA 7 HB1 ALA 7 72.734 3.229 -15.957 49 HB2 ALA 7 HB2 ALA 7 73.872 2.126 -15.190 50 HB3 ALA 7 HB3 ALA 7 74.466 3.515 -16.099 51 H LEU 8 HN LEU 8 74.369 2.362 -12.408 52 HA LEU 8 HA LEU 8 76.664 3.759 -11.415 53 HB2 LEU 8 HB2 LEU 8 75.638 0.946 -11.017 54 HB3 LEU 8 HB1 LEU 8 76.991 1.626 -10.117 55 HG LEU 8 HG LEU 8 74.264 2.946 -10.203 56 HD11 LEU 8 HD11 LEU 8 73.831 0.798 -9.249 57 HD12 LEU 8 HD12 LEU 8 74.013 1.897 -7.879 58 HD13 LEU 8 HD13 LEU 8 75.338 0.823 -8.331 59 HD21 LEU 8 HD21 LEU 8 75.188 3.798 -7.927 60 HD22 LEU 8 HD22 LEU 8 75.872 4.493 -9.390 61 HD23 LEU 8 HD23 LEU 8 76.755 3.245 -8.510 62 H THR 9 HN THR 9 78.753 3.597 -12.005 63 HA THR 9 HA THR 9 79.467 2.420 -14.467 64 HB THR 9 HB THR 9 81.372 3.182 -12.248 65 HG1 THR 9 HG1 THR 9 79.794 4.665 -13.999 66 HG21 THR 9 HG21 THR 9 82.361 1.963 -14.143 67 HG22 THR 9 HG22 THR 9 82.884 3.646 -14.144 68 HG23 THR 9 HG23 THR 9 81.633 3.109 -15.270 69 H GLY 10 HN GLY 10 80.354 0.529 -15.015 70 HA2 GLY 10 HA2 GLY 10 81.015 -1.662 -14.880 71 HA3 GLY 10 HA1 GLY 10 81.718 -1.253 -13.319 72 H VAL 11 HN VAL 11 81.070 -2.912 -12.045 73 HA VAL 11 HA VAL 11 78.565 -4.232 -12.236 74 HB VAL 11 HB VAL 11 80.654 -5.173 -11.201 75 HG11 VAL 11 HG11 VAL 11 81.085 -3.039 -9.860 76 HG12 VAL 11 HG12 VAL 11 81.292 -4.558 -8.995 77 HG13 VAL 11 HG13 VAL 11 79.834 -3.604 -8.755 78 HG21 VAL 11 HG21 VAL 11 79.442 -6.347 -9.377 79 HG22 VAL 11 HG22 VAL 11 78.480 -6.251 -10.850 80 HG23 VAL 11 HG23 VAL 11 78.137 -5.165 -9.504 81 H THR 12 HN THR 12 76.628 -3.744 -11.465 82 HA THR 12 HA THR 12 75.920 -1.270 -10.469 83 HB THR 12 HB THR 12 73.831 -2.432 -9.633 84 HG1 THR 12 HG1 THR 12 73.692 -4.591 -9.905 85 HG21 THR 12 HG21 THR 12 73.862 -1.577 -11.887 86 HG22 THR 12 HG22 THR 12 73.171 -3.199 -11.954 87 HG23 THR 12 HG23 THR 12 74.842 -2.932 -12.443 88 H THR 13 HN THR 13 75.291 -4.017 -8.363 89 HA THR 13 HA THR 13 76.903 -2.843 -6.195 90 HB THR 13 HB THR 13 74.715 -1.840 -5.869 91 HG1 THR 13 HG1 THR 13 75.767 -2.630 -4.017 92 HG21 THR 13 HG21 THR 13 72.687 -3.118 -5.789 93 HG22 THR 13 HG22 THR 13 73.575 -4.641 -5.816 94 HG23 THR 13 HG23 THR 13 73.529 -3.623 -7.254 95 H ASP 14 HN ASP 14 77.449 -4.323 -4.549 96 HA ASP 14 HA ASP 14 76.427 -6.995 -4.522 97 HB2 ASP 14 HB2 ASP 14 78.475 -8.134 -5.239 98 HB3 ASP 14 HB1 ASP 14 77.806 -7.148 -6.537 99 H GLN 15 HN GLN 15 77.505 -4.507 -2.920 100 HA GLN 15 HA GLN 15 78.357 -6.089 -0.640 101 HB2 GLN 15 HB2 GLN 15 80.507 -5.738 -1.711 102 HB3 GLN 15 HB1 GLN 15 80.187 -4.011 -1.879 103 HG2 GLN 15 HG2 GLN 15 80.162 -3.761 0.570 104 HG3 GLN 15 HG1 GLN 15 80.401 -5.496 0.764 105 HE21 GLN 15 HE21 GLN 15 82.552 -6.025 1.153 106 HE22 GLN 15 HE22 GLN 15 83.888 -5.151 0.578 107 H LYS 16 HN LYS 16 76.634 -5.407 0.492 108 HA LYS 16 HA LYS 16 76.425 -2.503 1.077 109 HB2 LYS 16 HB2 LYS 16 74.534 -3.451 -0.288 110 HB3 LYS 16 HB1 LYS 16 74.147 -4.489 1.086 111 HG2 LYS 16 HG2 LYS 16 73.852 -2.527 2.523 112 HG3 LYS 16 HG1 LYS 16 74.313 -1.466 1.189 113 HD2 LYS 16 HD2 LYS 16 72.370 -2.255 -0.116 114 HD3 LYS 16 HD1 LYS 16 71.903 -3.305 1.224 115 HE2 LYS 16 HE2 LYS 16 70.702 -1.057 1.111 116 HE3 LYS 16 HE1 LYS 16 71.462 -1.445 2.652 117 HZ1 LYS 16 HZ1 LYS 16 71.927 0.830 1.881 118 HZ2 LYS 16 HZ2 LYS 16 72.730 0.190 0.526 119 HZ3 LYS 16 HZ3 LYS 16 73.333 -0.095 2.091 120 H GLU 17 HN GLU 17 76.285 -5.798 2.298 121 HA GLU 17 HA GLU 17 75.612 -5.029 4.986 122 HB2 GLU 17 HB2 GLU 17 76.649 -7.635 3.850 123 HB3 GLU 17 HB1 GLU 17 76.114 -7.402 5.515 124 HG2 GLU 17 HG2 GLU 17 74.375 -6.865 3.087 125 HG3 GLU 17 HG1 GLU 17 74.336 -8.358 4.022 126 H LYS 18 HN LYS 18 76.972 -5.493 6.826 127 HA LYS 18 HA LYS 18 79.556 -4.266 6.586 128 HB2 LYS 18 HB2 LYS 18 78.151 -3.965 8.585 129 HB3 LYS 18 HB1 LYS 18 78.253 -5.695 8.911 130 HG2 LYS 18 HG2 LYS 18 80.669 -5.531 9.242 131 HG3 LYS 18 HG1 LYS 18 80.644 -3.830 8.785 132 HD2 LYS 18 HD2 LYS 18 80.679 -3.921 11.194 133 HD3 LYS 18 HD1 LYS 18 79.063 -3.415 10.703 134 HE2 LYS 18 HE2 LYS 18 78.121 -5.517 11.200 135 HE3 LYS 18 HE1 LYS 18 79.689 -6.325 11.192 136 HZ1 LYS 18 HZ1 LYS 18 78.827 -4.287 13.171 137 HZ2 LYS 18 HZ2 LYS 18 80.301 -5.130 13.180 138 HZ3 LYS 18 HZ3 LYS 18 78.840 -5.959 13.441 139 H GLN 19 HN GLN 19 81.591 -5.220 6.619 140 HA GLN 19 HA GLN 19 81.680 -8.183 6.543 141 HB2 GLN 19 HB2 GLN 19 83.492 -6.126 5.241 142 HB3 GLN 19 HB1 GLN 19 83.715 -7.875 5.166 143 HG2 GLN 19 HG2 GLN 19 81.269 -6.400 4.151 144 HG3 GLN 19 HG1 GLN 19 82.591 -6.968 3.137 145 HE21 GLN 19 HE21 GLN 19 79.535 -7.829 4.133 146 HE22 GLN 19 HE22 GLN 19 79.656 -9.515 3.975 147 H LYS 20 HN LYS 20 84.254 -8.677 6.867 148 HA LYS 20 HA LYS 20 84.764 -7.970 9.631 149 HB2 LYS 20 HB2 LYS 20 86.827 -9.492 9.130 150 HB3 LYS 20 HB1 LYS 20 85.225 -10.217 9.224 151 HG2 LYS 20 HG2 LYS 20 85.052 -10.507 6.913 152 HG3 LYS 20 HG1 LYS 20 86.184 -9.206 6.554 153 HD2 LYS 20 HD2 LYS 20 87.287 -11.290 6.062 154 HD3 LYS 20 HD1 LYS 20 88.018 -10.645 7.530 155 HE2 LYS 20 HE2 LYS 20 86.582 -12.101 8.899 156 HE3 LYS 20 HE1 LYS 20 85.824 -12.735 7.438 157 HZ1 LYS 20 HZ1 LYS 20 87.695 -14.096 8.407 158 HZ2 LYS 20 HZ2 LYS 20 88.745 -12.864 7.893 159 HZ3 LYS 20 HZ3 LYS 20 87.825 -13.726 6.755 160 HA PRO 21 HA PRO 21 87.348 -4.550 8.122 161 HB2 PRO 21 HB2 PRO 21 88.470 -4.175 10.780 162 HB3 PRO 21 HB1 PRO 21 87.335 -3.137 9.910 163 HG2 PRO 21 HG2 PRO 21 86.778 -4.808 12.132 164 HG3 PRO 21 HG1 PRO 21 85.627 -3.873 11.177 165 HD2 PRO 21 HD2 PRO 21 86.010 -6.757 11.205 166 HD3 PRO 21 HD1 PRO 21 84.767 -5.815 10.363 167 H ASP 22 HN ASP 22 89.451 -4.460 7.415 168 HA ASP 22 HA ASP 22 91.622 -5.817 8.680 169 HB2 ASP 22 HB2 ASP 22 90.355 -7.762 7.707 170 HB3 ASP 22 HB1 ASP 22 90.654 -7.084 6.107 171 H ILE 23 HN ILE 23 93.577 -5.880 7.139 172 HA ILE 23 HA ILE 23 93.438 -3.774 5.071 173 HB ILE 23 HB ILE 23 94.172 -2.648 7.150 174 HG12 ILE 23 HG12 ILE 23 96.361 -3.024 5.067 175 HG13 ILE 23 HG11 ILE 23 95.023 -1.888 4.958 176 HG21 ILE 23 HG21 ILE 23 95.255 -4.817 8.025 177 HG22 ILE 23 HG22 ILE 23 96.113 -3.306 8.322 178 HG23 ILE 23 HG23 ILE 23 96.639 -4.379 7.028 179 HD11 ILE 23 HD11 ILE 23 97.332 -1.871 6.898 180 HD12 ILE 23 HD12 ILE 23 95.866 -0.920 7.169 181 HD13 ILE 23 HD13 ILE 23 96.863 -0.622 5.745 182 H VAL 24 HN VAL 24 94.545 -4.270 3.305 183 HA VAL 24 HA VAL 24 96.417 -6.563 3.387 184 HB VAL 24 HB VAL 24 94.428 -6.654 1.828 185 HG11 VAL 24 HG11 VAL 24 94.301 -5.202 -0.048 186 HG12 VAL 24 HG12 VAL 24 95.943 -4.602 0.204 187 HG13 VAL 24 HG13 VAL 24 94.658 -4.143 1.315 188 HG21 VAL 24 HG21 VAL 24 95.688 -7.609 0.029 189 HG22 VAL 24 HG22 VAL 24 96.669 -7.853 1.472 190 HG23 VAL 24 HG23 VAL 24 97.067 -6.557 0.343 191 H LEU 25 HN LEU 25 98.529 -6.245 2.966 192 HA LEU 25 HA LEU 25 99.451 -3.807 1.646 193 HB2 LEU 25 HB2 LEU 25 101.183 -3.494 3.502 194 HB3 LEU 25 HB1 LEU 25 99.551 -2.976 3.841 195 HG LEU 25 HG LEU 25 100.877 -4.350 5.639 196 HD11 LEU 25 HD11 LEU 25 98.841 -5.197 6.565 197 HD12 LEU 25 HD12 LEU 25 98.064 -5.216 4.984 198 HD13 LEU 25 HD13 LEU 25 98.481 -3.678 5.746 199 HD21 LEU 25 HD21 LEU 25 99.877 -6.650 3.944 200 HD22 LEU 25 HD22 LEU 25 100.586 -6.765 5.540 201 HD23 LEU 25 HD23 LEU 25 101.559 -6.202 4.188 202 H TYR 26 HN TYR 26 102.106 -3.968 2.132 203 HA TYR 26 HA TYR 26 102.905 -6.535 0.881 204 HB2 TYR 26 HB2 TYR 26 103.541 -3.711 0.348 205 HB3 TYR 26 HB1 TYR 26 105.002 -4.692 0.508 206 HD1 TYR 26 HD1 TYR 26 105.480 -6.505 -1.047 207 HD2 TYR 26 HD2 TYR 26 101.913 -4.141 -1.432 208 HE1 TYR 26 HE1 TYR 26 105.103 -7.440 -3.311 209 HE2 TYR 26 HE2 TYR 26 101.540 -5.070 -3.698 210 HH TYR 26 HH TYR 26 103.008 -7.786 -4.819 211 HA PRO 27 HA PRO 27 104.902 -6.558 5.041 212 HB2 PRO 27 HB2 PRO 27 105.095 -9.448 4.920 213 HB3 PRO 27 HB1 PRO 27 104.054 -8.463 5.961 214 HG2 PRO 27 HG2 PRO 27 103.208 -10.079 3.838 215 HG3 PRO 27 HG1 PRO 27 102.246 -8.847 4.668 216 HD2 PRO 27 HD2 PRO 27 103.550 -8.720 2.003 217 HD3 PRO 27 HD1 PRO 27 102.170 -7.801 2.631 218 H GLU 28 HN GLU 28 105.740 -8.012 2.022 219 HA GLU 28 HA GLU 28 108.484 -8.588 2.741 220 HB2 GLU 28 HB2 GLU 28 107.147 -8.600 0.029 221 HB3 GLU 28 HB1 GLU 28 108.712 -9.304 0.426 222 HG2 GLU 28 HG2 GLU 28 107.742 -10.995 1.771 223 HG3 GLU 28 HG1 GLU 28 106.190 -10.163 1.850 224 HA PRO 29 HA PRO 29 109.553 -4.283 1.715 225 HB2 PRO 29 HB2 PRO 29 112.374 -4.962 1.597 226 HB3 PRO 29 HB1 PRO 29 111.523 -4.040 2.838 227 HG2 PRO 29 HG2 PRO 29 112.545 -6.688 3.023 228 HG3 PRO 29 HG1 PRO 29 111.661 -5.779 4.253 229 HD2 PRO 29 HD2 PRO 29 110.729 -8.021 2.684 230 HD3 PRO 29 HD1 PRO 29 109.845 -7.131 3.943 231 H VAL 30 HN VAL 30 110.069 -3.252 -0.279 232 HA VAL 30 HA VAL 30 110.885 -5.067 -2.507 233 HB VAL 30 HB VAL 30 108.626 -3.055 -2.410 234 HG11 VAL 30 HG11 VAL 30 110.005 -4.290 -4.808 235 HG12 VAL 30 HG12 VAL 30 109.732 -2.578 -4.489 236 HG13 VAL 30 HG13 VAL 30 108.372 -3.629 -4.878 237 HG21 VAL 30 HG21 VAL 30 108.158 -5.384 -1.706 238 HG22 VAL 30 HG22 VAL 30 108.789 -5.965 -3.246 239 HG23 VAL 30 HG23 VAL 30 107.326 -4.986 -3.209 240 H ARG 31 HN ARG 31 112.497 -4.363 -3.788 241 HA ARG 31 HA ARG 31 113.388 -1.543 -3.538 242 HB2 ARG 31 HB2 ARG 31 115.044 -3.069 -2.635 243 HB3 ARG 31 HB1 ARG 31 114.942 -4.094 -4.060 244 HG2 ARG 31 HG2 ARG 31 115.874 -2.278 -5.453 245 HG3 ARG 31 HG1 ARG 31 115.932 -1.223 -4.044 246 HD2 ARG 31 HD2 ARG 31 118.136 -2.187 -4.415 247 HD3 ARG 31 HD1 ARG 31 117.455 -2.853 -2.933 248 HE ARG 31 HE ARG 31 116.800 -4.545 -5.110 249 HH11 ARG 31 HH11 ARG 31 119.859 -3.351 -4.513 250 HH12 ARG 31 HH12 ARG 31 120.594 -4.873 -4.125 251 HH21 ARG 31 HH21 ARG 31 117.595 -6.604 -4.035 252 HH22 ARG 31 HH22 ARG 31 119.314 -6.710 -3.855 253 H VAL 32 HN VAL 32 113.118 -0.357 -5.329 254 HA VAL 32 HA VAL 32 112.878 -1.711 -7.945 255 HB VAL 32 HB VAL 32 111.624 0.772 -6.768 256 HG11 VAL 32 HG11 VAL 32 110.746 1.023 -9.271 257 HG12 VAL 32 HG12 VAL 32 112.276 0.237 -9.644 258 HG13 VAL 32 HG13 VAL 32 112.268 1.768 -8.781 259 HG21 VAL 32 HG21 VAL 32 109.585 -0.246 -7.541 260 HG22 VAL 32 HG22 VAL 32 110.516 -1.500 -6.715 261 HG23 VAL 32 HG23 VAL 32 110.477 -1.441 -8.479 262 H LEU 33 HN LEU 33 114.061 -0.997 -9.641 263 HA LEU 33 HA LEU 33 116.367 0.726 -9.020 264 HB2 LEU 33 HB2 LEU 33 115.768 -1.416 -11.049 265 HB3 LEU 33 HB1 LEU 33 117.019 -0.228 -11.392 266 HG LEU 33 HG LEU 33 118.177 -0.817 -9.304 267 HD11 LEU 33 HD11 LEU 33 115.835 -2.703 -8.992 268 HD12 LEU 33 HD12 LEU 33 116.373 -1.444 -7.876 269 HD13 LEU 33 HD13 LEU 33 117.347 -2.896 -8.101 270 HD21 LEU 33 HD21 LEU 33 118.970 -2.995 -9.978 271 HD22 LEU 33 HD22 LEU 33 118.579 -2.101 -11.447 272 HD23 LEU 33 HD23 LEU 33 117.471 -3.330 -10.844 273 H GLU 34 HN GLU 34 116.351 2.757 -9.697 274 HA GLU 34 HA GLU 34 114.396 4.235 -10.746 275 HB2 GLU 34 HB2 GLU 34 116.657 5.097 -10.145 276 HB3 GLU 34 HB1 GLU 34 117.238 4.559 -11.717 277 HG2 GLU 34 HG2 GLU 34 115.506 5.988 -12.816 278 HG3 GLU 34 HG1 GLU 34 115.040 6.596 -11.227 279 H GLY 35 HN GLY 35 113.058 3.990 -12.391 280 HA2 GLY 35 HA2 GLY 35 112.826 4.299 -14.813 281 HA3 GLY 35 HA1 GLY 35 114.211 3.239 -15.040 282 H GLU 36 HN GLU 36 112.166 2.153 -12.569 283 HA GLU 36 HA GLU 36 110.802 0.286 -14.437 284 HB2 GLU 36 HB2 GLU 36 112.165 -0.210 -11.809 285 HB3 GLU 36 HB1 GLU 36 110.864 -1.269 -12.336 286 HG2 GLU 36 HG2 GLU 36 113.240 -0.588 -14.067 287 HG3 GLU 36 HG1 GLU 36 113.211 -1.992 -13.003 288 H THR 37 HN THR 37 108.697 0.151 -14.317 289 HA THR 37 HA THR 37 107.208 1.928 -12.616 290 HB THR 37 HB THR 37 105.334 1.322 -13.868 291 HG1 THR 37 HG1 THR 37 106.479 -1.113 -14.685 292 HG21 THR 37 HG21 THR 37 107.356 2.061 -15.314 293 HG22 THR 37 HG22 THR 37 105.982 1.322 -16.136 294 HG23 THR 37 HG23 THR 37 107.433 0.370 -15.812 295 H ALA 38 HN ALA 38 106.017 1.417 -10.821 296 HA ALA 38 HA ALA 38 106.255 -1.371 -9.824 297 HB1 ALA 38 HB1 ALA 38 106.103 1.046 -8.038 298 HB2 ALA 38 HB2 ALA 38 107.644 0.476 -8.685 299 HB3 ALA 38 HB3 ALA 38 106.678 -0.579 -7.665 300 H ARG 39 HN ARG 39 104.592 -2.065 -8.407 301 HA ARG 39 HA ARG 39 102.039 -0.593 -8.576 302 HB2 ARG 39 HB2 ARG 39 102.540 -3.441 -9.479 303 HB3 ARG 39 HB1 ARG 39 100.934 -2.791 -9.160 304 HG2 ARG 39 HG2 ARG 39 101.252 -1.074 -10.871 305 HG3 ARG 39 HG1 ARG 39 102.901 -1.628 -11.156 306 HD2 ARG 39 HD2 ARG 39 102.031 -3.845 -11.839 307 HD3 ARG 39 HD1 ARG 39 100.388 -3.280 -11.571 308 HE ARG 39 HE ARG 39 100.549 -1.970 -13.535 309 HH11 ARG 39 HH11 ARG 39 101.262 -2.704 -15.696 310 HH12 ARG 39 HH12 ARG 39 102.974 -2.800 -15.948 311 HH21 ARG 39 HH21 ARG 39 103.761 -2.453 -12.592 312 HH22 ARG 39 HH22 ARG 39 104.385 -2.658 -14.193 313 H PHE 40 HN PHE 40 101.221 -0.457 -6.577 314 HA PHE 40 HA PHE 40 101.589 -2.731 -4.698 315 HB2 PHE 40 HB2 PHE 40 101.822 0.210 -4.022 316 HB3 PHE 40 HB1 PHE 40 101.809 -1.097 -2.851 317 HD1 PHE 40 HD1 PHE 40 103.788 0.641 -5.424 318 HD2 PHE 40 HD2 PHE 40 103.712 -2.639 -2.650 319 HE1 PHE 40 HE1 PHE 40 106.245 0.412 -5.629 320 HE2 PHE 40 HE2 PHE 40 106.170 -2.882 -2.884 321 HZ PHE 40 HZ PHE 40 107.436 -1.352 -4.367 322 H ARG 41 HN ARG 41 99.833 -3.105 -3.292 323 HA ARG 41 HA ARG 41 97.368 -1.552 -3.897 324 HB2 ARG 41 HB2 ARG 41 97.701 -4.492 -3.275 325 HB3 ARG 41 HB1 ARG 41 96.147 -3.665 -3.379 326 HG2 ARG 41 HG2 ARG 41 96.658 -2.999 -5.703 327 HG3 ARG 41 HG1 ARG 41 98.196 -3.853 -5.608 328 HD2 ARG 41 HD2 ARG 41 95.484 -5.149 -5.224 329 HD3 ARG 41 HD1 ARG 41 96.406 -5.195 -6.723 330 HE ARG 41 HE ARG 41 96.957 -6.705 -4.304 331 HH11 ARG 41 HH11 ARG 41 99.627 -6.111 -4.540 332 HH12 ARG 41 HH12 ARG 41 100.244 -7.006 -5.893 333 HH21 ARG 41 HH21 ARG 41 97.120 -7.613 -7.267 334 HH22 ARG 41 HH22 ARG 41 98.827 -7.852 -7.432 335 H CYS 42 HN CYS 42 96.180 -0.809 -2.237 336 HA CYS 42 HA CYS 42 96.755 -1.688 0.519 337 HB2 CYS 42 HB2 CYS 42 96.860 1.177 -0.469 338 HB3 CYS 42 HB1 CYS 42 96.753 0.727 1.231 339 HG CYS 42 HG CYS 42 99.267 0.823 0.893 340 H ARG 43 HN ARG 43 94.808 -2.393 1.150 341 HA ARG 43 HA ARG 43 92.423 -0.712 0.553 342 HB2 ARG 43 HB2 ARG 43 92.457 -2.843 -0.766 343 HB3 ARG 43 HB1 ARG 43 92.478 -3.743 0.746 344 HG2 ARG 43 HG2 ARG 43 90.308 -2.804 1.381 345 HG3 ARG 43 HG1 ARG 43 90.298 -1.794 -0.061 346 HD2 ARG 43 HD2 ARG 43 90.403 -3.915 -1.423 347 HD3 ARG 43 HD1 ARG 43 90.188 -4.814 0.076 348 HE ARG 43 HE ARG 43 88.163 -2.807 -0.264 349 HH11 ARG 43 HH11 ARG 43 86.102 -3.845 -0.053 350 HH12 ARG 43 HH12 ARG 43 85.844 -5.340 -0.898 351 HH21 ARG 43 HH21 ARG 43 89.161 -5.676 -1.852 352 HH22 ARG 43 HH22 ARG 43 87.577 -6.373 -1.914 353 H VAL 44 HN VAL 44 90.569 -1.201 2.208 354 HA VAL 44 HA VAL 44 91.415 -2.164 4.773 355 HB VAL 44 HB VAL 44 90.628 0.735 4.367 356 HG11 VAL 44 HG11 VAL 44 90.905 0.725 6.945 357 HG12 VAL 44 HG12 VAL 44 90.728 -1.026 6.822 358 HG13 VAL 44 HG13 VAL 44 89.424 0.035 6.278 359 HG21 VAL 44 HG21 VAL 44 92.766 1.092 5.696 360 HG22 VAL 44 HG22 VAL 44 93.005 0.454 4.071 361 HG23 VAL 44 HG23 VAL 44 93.110 -0.622 5.465 362 H THR 45 HN THR 45 89.687 -3.686 4.543 363 HA THR 45 HA THR 45 87.109 -2.784 3.642 364 HB THR 45 HB THR 45 86.486 -5.116 3.851 365 HG1 THR 45 HG1 THR 45 87.420 -5.785 5.681 366 HG21 THR 45 HG21 THR 45 87.914 -4.389 1.927 367 HG22 THR 45 HG22 THR 45 88.128 -6.088 2.350 368 HG23 THR 45 HG23 THR 45 89.333 -4.897 2.841 369 H GLY 46 HN GLY 46 85.358 -4.191 4.940 370 HA2 GLY 46 HA2 GLY 46 84.657 -4.682 7.303 371 HA3 GLY 46 HA1 GLY 46 85.268 -3.077 7.696 372 H TYR 47 HN TYR 47 84.140 -1.245 6.975 373 HA TYR 47 HA TYR 47 81.456 -1.645 5.807 374 HB2 TYR 47 HB2 TYR 47 81.046 0.392 7.686 375 HB3 TYR 47 HB1 TYR 47 80.524 -1.281 7.858 376 HD1 TYR 47 HD1 TYR 47 83.937 0.272 7.970 377 HD2 TYR 47 HD2 TYR 47 80.885 -1.887 10.082 378 HE1 TYR 47 HE1 TYR 47 85.456 0.016 9.910 379 HE2 TYR 47 HE2 TYR 47 82.403 -2.149 12.020 380 HH TYR 47 HH TYR 47 84.718 -0.479 12.772 381 HA PRO 48 HA PRO 48 82.111 1.839 3.240 382 HB2 PRO 48 HB2 PRO 48 79.959 3.530 4.199 383 HB3 PRO 48 HB1 PRO 48 79.989 2.523 2.747 384 HG2 PRO 48 HG2 PRO 48 78.724 2.010 5.328 385 HG3 PRO 48 HG1 PRO 48 78.440 1.230 3.766 386 HD2 PRO 48 HD2 PRO 48 79.695 0.006 5.893 387 HD3 PRO 48 HD1 PRO 48 79.937 -0.466 4.205 388 H GLN 49 HN GLN 49 82.825 3.967 3.166 389 HA GLN 49 HA GLN 49 84.335 5.561 3.860 390 HB2 GLN 49 HB2 GLN 49 81.835 6.044 5.469 391 HB3 GLN 49 HB1 GLN 49 83.143 7.219 5.327 392 HG2 GLN 49 HG2 GLN 49 81.748 5.994 2.937 393 HG3 GLN 49 HG1 GLN 49 81.249 7.517 3.672 394 HE21 GLN 49 HE21 GLN 49 83.503 8.939 4.124 395 HE22 GLN 49 HE22 GLN 49 84.437 9.115 2.718 396 HA PRO 50 HA PRO 50 85.811 3.966 7.965 397 HB2 PRO 50 HB2 PRO 50 88.187 2.877 6.681 398 HB3 PRO 50 HB1 PRO 50 86.893 1.987 7.504 399 HG2 PRO 50 HG2 PRO 50 87.375 1.862 4.798 400 HG3 PRO 50 HG1 PRO 50 85.810 1.514 5.554 401 HD2 PRO 50 HD2 PRO 50 86.715 4.038 4.185 402 HD3 PRO 50 HD1 PRO 50 85.140 3.211 4.108 403 H LYS 51 HN LYS 51 88.045 4.601 8.983 404 HA LYS 51 HA LYS 51 88.955 7.134 7.745 405 HB2 LYS 51 HB2 LYS 51 89.279 5.995 10.525 406 HB3 LYS 51 HB1 LYS 51 90.128 7.434 9.971 407 HG2 LYS 51 HG2 LYS 51 87.966 8.515 9.479 408 HG3 LYS 51 HG1 LYS 51 87.121 7.067 10.031 409 HD2 LYS 51 HD2 LYS 51 88.125 7.323 12.268 410 HD3 LYS 51 HD1 LYS 51 88.968 8.775 11.726 411 HE2 LYS 51 HE2 LYS 51 85.958 8.457 11.640 412 HE3 LYS 51 HE1 LYS 51 86.818 9.221 12.978 413 HZ1 LYS 51 HZ1 LYS 51 86.466 11.038 11.715 414 HZ2 LYS 51 HZ2 LYS 51 86.378 10.163 10.261 415 HZ3 LYS 51 HZ3 LYS 51 87.889 10.519 10.950 416 H VAL 52 HN VAL 52 90.699 6.958 6.480 417 HA VAL 52 HA VAL 52 92.793 4.989 7.190 418 HB VAL 52 HB VAL 52 91.585 5.343 4.438 419 HG11 VAL 52 HG11 VAL 52 93.867 4.849 4.128 420 HG12 VAL 52 HG12 VAL 52 93.077 3.277 4.051 421 HG13 VAL 52 HG13 VAL 52 93.917 3.767 5.519 422 HG21 VAL 52 HG21 VAL 52 91.491 2.991 6.363 423 HG22 VAL 52 HG22 VAL 52 90.804 3.026 4.737 424 HG23 VAL 52 HG23 VAL 52 90.133 4.059 5.998 425 H ASN 53 HN ASN 53 94.811 5.629 6.878 426 HA ASN 53 HA ASN 53 95.451 7.861 5.091 427 HB2 ASN 53 HB2 ASN 53 95.934 7.841 8.072 428 HB3 ASN 53 HB1 ASN 53 96.953 8.779 6.978 429 HD21 ASN 53 HD21 ASN 53 94.974 9.672 5.119 430 HD22 ASN 53 HD22 ASN 53 93.902 10.705 5.936 431 H TRP 54 HN TRP 54 97.577 7.686 4.240 432 HA TRP 54 HA TRP 54 99.276 5.542 5.375 433 HB2 TRP 54 HB2 TRP 54 99.722 4.957 2.806 434 HB3 TRP 54 HB1 TRP 54 98.439 4.175 3.723 435 HD1 TRP 54 HD1 TRP 54 96.148 4.252 2.699 436 HE1 TRP 54 HE1 TRP 54 94.976 5.623 0.859 437 HE3 TRP 54 HE3 TRP 54 99.818 7.658 1.658 438 HZ2 TRP 54 HZ2 TRP 54 95.513 7.865 -0.811 439 HZ3 TRP 54 HZ3 TRP 54 99.452 9.394 -0.074 440 HH2 TRP 54 HH2 TRP 54 97.303 9.494 -1.305 441 H TYR 55 HN TYR 55 101.515 5.597 4.425 442 HA TYR 55 HA TYR 55 102.231 8.323 3.517 443 HB2 TYR 55 HB2 TYR 55 103.791 6.884 5.659 444 HB3 TYR 55 HB1 TYR 55 103.870 8.584 5.200 445 HD1 TYR 55 HD1 TYR 55 102.566 10.166 6.358 446 HD2 TYR 55 HD2 TYR 55 101.513 6.017 6.568 447 HE1 TYR 55 HE1 TYR 55 100.819 10.684 8.046 448 HE2 TYR 55 HE2 TYR 55 99.769 6.530 8.246 449 HH TYR 55 HH TYR 55 99.566 8.731 10.065 450 H LEU 56 HN LEU 56 103.358 8.161 1.699 451 HA LEU 56 HA LEU 56 104.866 5.734 1.069 452 HB2 LEU 56 HB2 LEU 56 104.184 8.257 -0.443 453 HB3 LEU 56 HB1 LEU 56 105.449 7.179 -1.025 454 HG LEU 56 HG LEU 56 103.758 5.293 -0.920 455 HD11 LEU 56 HD11 LEU 56 101.911 7.646 -0.437 456 HD12 LEU 56 HD12 LEU 56 102.143 6.244 0.605 457 HD13 LEU 56 HD13 LEU 56 101.356 6.056 -0.962 458 HD21 LEU 56 HD21 LEU 56 103.219 7.680 -2.707 459 HD22 LEU 56 HD22 LEU 56 102.588 6.057 -2.998 460 HD23 LEU 56 HD23 LEU 56 104.327 6.350 -3.034 461 H ASN 57 HN ASN 57 107.176 5.642 1.109 462 HA ASN 57 HA ASN 57 109.187 6.209 1.943 463 HB2 ASN 57 HB2 ASN 57 108.395 8.712 0.470 464 HB3 ASN 57 HB1 ASN 57 110.018 8.426 1.090 465 HD21 ASN 57 HD21 ASN 57 109.743 5.434 0.459 466 HD22 ASN 57 HD22 ASN 57 109.953 5.348 -1.224 467 H GLY 58 HN GLY 58 106.571 7.295 3.451 468 HA2 GLY 58 HA2 GLY 58 106.601 7.917 5.760 469 HA3 GLY 58 HA1 GLY 58 108.134 8.735 5.500 470 H GLN 59 HN GLN 59 105.634 9.208 3.136 471 HA GLN 59 HA GLN 59 104.970 11.874 4.269 472 HB2 GLN 59 HB2 GLN 59 105.615 11.160 1.404 473 HB3 GLN 59 HB1 GLN 59 104.920 12.699 1.904 474 HG2 GLN 59 HG2 GLN 59 107.519 11.594 3.006 475 HG3 GLN 59 HG1 GLN 59 107.432 12.740 1.673 476 HE21 GLN 59 HE21 GLN 59 108.343 12.907 4.689 477 HE22 GLN 59 HE22 GLN 59 107.602 14.341 5.213 478 H LEU 60 HN LEU 60 102.840 12.222 4.531 479 HA LEU 60 HA LEU 60 100.856 10.347 3.665 480 HB2 LEU 60 HB2 LEU 60 100.720 11.432 5.845 481 HB3 LEU 60 HB1 LEU 60 100.710 13.009 5.094 482 HG LEU 60 HG LEU 60 98.520 12.447 4.021 483 HD11 LEU 60 HD11 LEU 60 98.959 9.880 5.552 484 HD12 LEU 60 HD12 LEU 60 98.518 10.082 3.863 485 HD13 LEU 60 HD13 LEU 60 97.338 10.425 5.120 486 HD21 LEU 60 HD21 LEU 60 98.492 11.994 7.012 487 HD22 LEU 60 HD22 LEU 60 97.219 12.714 6.030 488 HD23 LEU 60 HD23 LEU 60 98.740 13.572 6.270 489 H ILE 61 HN ILE 61 99.079 10.759 2.376 490 HA ILE 61 HA ILE 61 97.932 11.446 0.579 491 HB ILE 61 HB ILE 61 97.204 13.328 1.779 492 HG12 ILE 61 HG12 ILE 61 96.878 14.987 0.010 493 HG13 ILE 61 HG11 ILE 61 98.208 14.304 -0.915 494 HG21 ILE 61 HG21 ILE 61 99.826 14.640 1.077 495 HG22 ILE 61 HG22 ILE 61 99.202 14.253 2.694 496 HG23 ILE 61 HG23 ILE 61 98.432 15.496 1.724 497 HD11 ILE 61 HD11 ILE 61 95.841 12.615 -0.085 498 HD12 ILE 61 HD12 ILE 61 97.007 12.310 -1.375 499 HD13 ILE 61 HD13 ILE 61 95.810 13.589 -1.557 500 H ARG 62 HN ARG 62 98.350 10.889 -1.285 501 HA ARG 62 HA ARG 62 100.822 11.734 -2.679 502 HB2 ARG 62 HB2 ARG 62 100.504 9.273 -2.411 503 HB3 ARG 62 HB1 ARG 62 98.980 9.398 -3.285 504 HG2 ARG 62 HG2 ARG 62 100.150 10.282 -5.248 505 HG3 ARG 62 HG1 ARG 62 101.679 10.233 -4.370 506 HD2 ARG 62 HD2 ARG 62 101.388 7.763 -4.114 507 HD3 ARG 62 HD1 ARG 62 99.947 7.862 -5.117 508 HE ARG 62 HE ARG 62 102.013 9.092 -6.534 509 HH11 ARG 62 HH11 ARG 62 100.276 6.487 -7.059 510 HH12 ARG 62 HH12 ARG 62 101.549 5.392 -7.482 511 HH21 ARG 62 HH21 ARG 62 104.078 7.449 -6.321 512 HH22 ARG 62 HH22 ARG 62 103.696 5.930 -7.063 513 H LYS 63 HN LYS 63 100.601 12.600 -4.794 514 HA LYS 63 HA LYS 63 98.446 14.281 -5.249 515 HB2 LYS 63 HB2 LYS 63 100.301 13.089 -7.326 516 HB3 LYS 63 HB1 LYS 63 99.310 14.524 -7.546 517 HG2 LYS 63 HG2 LYS 63 101.264 14.351 -5.252 518 HG3 LYS 63 HG1 LYS 63 101.806 14.825 -6.859 519 HD2 LYS 63 HD2 LYS 63 100.607 16.820 -6.847 520 HD3 LYS 63 HD1 LYS 63 99.406 16.230 -5.710 521 HE2 LYS 63 HE2 LYS 63 100.868 17.875 -4.625 522 HE3 LYS 63 HE1 LYS 63 101.088 16.281 -3.902 523 HZ1 LYS 63 HZ1 LYS 63 102.871 17.706 -5.788 524 HZ2 LYS 63 HZ2 LYS 63 102.970 16.023 -5.578 525 HZ3 LYS 63 HZ3 LYS 63 103.242 17.065 -4.262 526 H SER 64 HN SER 64 96.629 14.252 -6.522 527 HA SER 64 HA SER 64 95.220 11.784 -6.618 528 HB2 SER 64 HB2 SER 64 93.359 13.065 -7.354 529 HB3 SER 64 HB1 SER 64 94.247 14.116 -6.259 530 HG SER 64 HG SER 64 95.085 14.217 -8.878 531 H LYS 65 HN LYS 65 93.893 12.840 -9.157 532 HA LYS 65 HA LYS 65 94.124 11.055 -10.997 533 HB2 LYS 65 HB2 LYS 65 93.148 13.458 -11.168 534 HB3 LYS 65 HB1 LYS 65 94.653 13.837 -11.994 535 HG2 LYS 65 HG2 LYS 65 93.434 13.172 -13.845 536 HG3 LYS 65 HG1 LYS 65 94.009 11.581 -13.345 537 HD2 LYS 65 HD2 LYS 65 91.722 11.178 -13.562 538 HD3 LYS 65 HD1 LYS 65 91.828 11.577 -11.853 539 HE2 LYS 65 HE2 LYS 65 90.064 12.948 -12.516 540 HE3 LYS 65 HE1 LYS 65 91.420 14.052 -12.733 541 HZ1 LYS 65 HZ1 LYS 65 90.488 12.289 -14.909 542 HZ2 LYS 65 HZ2 LYS 65 91.427 13.702 -15.016 543 HZ3 LYS 65 HZ3 LYS 65 89.776 13.804 -14.628 544 H ARG 66 HN ARG 66 96.965 12.991 -10.222 545 HA ARG 66 HA ARG 66 98.479 12.417 -12.547 546 HB2 ARG 66 HB2 ARG 66 99.151 14.071 -10.794 547 HB3 ARG 66 HB1 ARG 66 99.497 12.725 -9.708 548 HG2 ARG 66 HG2 ARG 66 101.141 11.845 -11.346 549 HG3 ARG 66 HG1 ARG 66 100.807 13.211 -12.402 550 HD2 ARG 66 HD2 ARG 66 101.502 14.734 -10.523 551 HD3 ARG 66 HD1 ARG 66 102.009 13.303 -9.624 552 HE ARG 66 HE ARG 66 103.159 13.431 -12.258 553 HH11 ARG 66 HH11 ARG 66 104.126 12.824 -9.229 554 HH12 ARG 66 HH12 ARG 66 105.508 13.868 -9.199 555 HH21 ARG 66 HH21 ARG 66 104.666 15.510 -12.138 556 HH22 ARG 66 HH22 ARG 66 105.816 15.389 -10.846 557 H PHE 67 HN PHE 67 97.919 10.712 -9.538 558 HA PHE 67 HA PHE 67 99.074 8.239 -10.687 559 HB2 PHE 67 HB2 PHE 67 99.060 9.137 -7.788 560 HB3 PHE 67 HB1 PHE 67 99.605 7.561 -8.366 561 HD1 PHE 67 HD1 PHE 67 100.683 10.809 -7.520 562 HD2 PHE 67 HD2 PHE 67 101.361 7.676 -10.378 563 HE1 PHE 67 HE1 PHE 67 102.932 11.735 -8.008 564 HE2 PHE 67 HE2 PHE 67 103.607 8.605 -10.867 565 HZ PHE 67 HZ PHE 67 104.389 10.635 -9.682 566 H ARG 68 HN ARG 68 97.943 6.269 -9.942 567 HA ARG 68 HA ARG 68 95.111 6.610 -10.018 568 HB2 ARG 68 HB2 ARG 68 96.329 4.617 -10.910 569 HB3 ARG 68 HB1 ARG 68 96.721 4.157 -9.253 570 HG2 ARG 68 HG2 ARG 68 94.331 3.988 -8.710 571 HG3 ARG 68 HG1 ARG 68 93.914 4.489 -10.350 572 HD2 ARG 68 HD2 ARG 68 95.618 2.065 -9.757 573 HD3 ARG 68 HD1 ARG 68 93.868 1.982 -9.935 574 HE ARG 68 HE ARG 68 94.846 3.313 -12.185 575 HH11 ARG 68 HH11 ARG 68 96.166 2.205 -13.791 576 HH12 ARG 68 HH12 ARG 68 95.975 0.488 -13.920 577 HH21 ARG 68 HH21 ARG 68 94.139 0.214 -10.991 578 HH22 ARG 68 HH22 ARG 68 94.827 -0.640 -12.331 579 H VAL 69 HN VAL 69 94.122 7.596 -8.315 580 HA VAL 69 HA VAL 69 94.469 6.347 -5.654 581 HB VAL 69 HB VAL 69 94.671 9.315 -6.215 582 HG11 VAL 69 HG11 VAL 69 94.945 9.383 -3.651 583 HG12 VAL 69 HG12 VAL 69 94.214 7.777 -3.647 584 HG13 VAL 69 HG13 VAL 69 93.308 9.158 -4.270 585 HG21 VAL 69 HG21 VAL 69 96.819 9.013 -4.961 586 HG22 VAL 69 HG22 VAL 69 96.772 8.132 -6.488 587 HG23 VAL 69 HG23 VAL 69 96.534 7.272 -4.966 588 H ARG 70 HN ARG 70 92.623 6.132 -4.523 589 HA ARG 70 HA ARG 70 90.252 7.703 -5.300 590 HB2 ARG 70 HB2 ARG 70 90.153 5.542 -6.542 591 HB3 ARG 70 HB1 ARG 70 90.250 4.685 -5.002 592 HG2 ARG 70 HG2 ARG 70 88.185 5.833 -4.245 593 HG3 ARG 70 HG1 ARG 70 88.084 6.647 -5.805 594 HD2 ARG 70 HD2 ARG 70 88.119 3.641 -5.480 595 HD3 ARG 70 HD1 ARG 70 86.642 4.595 -5.611 596 HE ARG 70 HE ARG 70 88.477 3.954 -7.762 597 HH11 ARG 70 HH11 ARG 70 88.246 6.892 -7.977 598 HH12 ARG 70 HH12 ARG 70 86.805 7.111 -8.915 599 HH21 ARG 70 HH21 ARG 70 85.639 3.894 -8.363 600 HH22 ARG 70 HH22 ARG 70 85.329 5.414 -9.132 601 H TYR 71 HN TYR 71 90.067 8.795 -3.376 602 HA TYR 71 HA TYR 71 90.641 7.532 -0.868 603 HB2 TYR 71 HB2 TYR 71 90.779 10.040 -1.406 604 HB3 TYR 71 HB1 TYR 71 89.025 10.055 -1.223 605 HD1 TYR 71 HD1 TYR 71 87.974 9.568 0.951 606 HD2 TYR 71 HD2 TYR 71 92.250 9.698 0.500 607 HE1 TYR 71 HE1 TYR 71 88.226 9.687 3.414 608 HE2 TYR 71 HE2 TYR 71 92.499 9.812 2.972 609 HH TYR 71 HH TYR 71 89.905 10.502 5.048 610 H ASP 72 HN ASP 72 89.364 5.716 -0.799 611 HA ASP 72 HA ASP 72 86.789 6.029 0.366 612 HB2 ASP 72 HB2 ASP 72 86.291 6.323 -2.111 613 HB3 ASP 72 HB1 ASP 72 86.821 4.653 -2.326 614 H GLY 73 HN GLY 73 89.448 4.823 0.716 615 HA2 GLY 73 HA2 GLY 73 89.849 2.945 2.155 616 HA3 GLY 73 HA1 GLY 73 88.605 2.047 1.287 617 H ILE 74 HN ILE 74 89.849 3.357 -1.252 618 HA ILE 74 HA ILE 74 91.940 1.288 -1.639 619 HB ILE 74 HB ILE 74 90.161 2.735 -3.603 620 HG12 ILE 74 HG12 ILE 74 90.355 -0.216 -2.937 621 HG13 ILE 74 HG11 ILE 74 89.202 0.871 -2.159 622 HG21 ILE 74 HG21 ILE 74 92.507 0.869 -3.986 623 HG22 ILE 74 HG22 ILE 74 92.176 2.404 -4.790 624 HG23 ILE 74 HG23 ILE 74 91.225 0.975 -5.194 625 HD11 ILE 74 HD11 ILE 74 88.083 -0.188 -4.022 626 HD12 ILE 74 HD12 ILE 74 89.400 0.242 -5.114 627 HD13 ILE 74 HD13 ILE 74 88.364 1.498 -4.446 628 H HIS 75 HN HIS 75 93.963 1.868 -1.913 629 HA HIS 75 HA HIS 75 94.622 4.502 -3.069 630 HB2 HIS 75 HB2 HIS 75 96.532 3.840 -0.975 631 HB3 HIS 75 HB1 HIS 75 95.543 5.286 -1.138 632 HD1 HIS 75 HD1 HIS 75 95.968 2.314 0.898 633 HD2 HIS 75 HD2 HIS 75 92.767 4.814 -0.047 634 HE1 HIS 75 HE1 HIS 75 94.161 1.832 2.596 635 H TYR 76 HN TYR 76 95.526 3.823 -4.940 636 HA TYR 76 HA TYR 76 97.435 1.565 -4.903 637 HB2 TYR 76 HB2 TYR 76 95.759 2.880 -7.016 638 HB3 TYR 76 HB1 TYR 76 97.241 2.073 -7.514 639 HD1 TYR 76 HD1 TYR 76 94.881 1.124 -4.747 640 HD2 TYR 76 HD2 TYR 76 96.491 0.128 -8.608 641 HE1 TYR 76 HE1 TYR 76 93.726 -1.069 -4.671 642 HE2 TYR 76 HE2 TYR 76 95.327 -2.059 -8.528 643 HH TYR 76 HH TYR 76 94.459 -3.606 -6.464 644 H LEU 77 HN LEU 77 99.542 1.892 -4.962 645 HA LEU 77 HA LEU 77 100.624 4.568 -5.505 646 HB2 LEU 77 HB2 LEU 77 102.383 2.310 -4.634 647 HB3 LEU 77 HB1 LEU 77 102.418 4.001 -4.161 648 HG LEU 77 HG LEU 77 100.399 1.930 -3.249 649 HD11 LEU 77 HD11 LEU 77 101.442 2.401 -1.017 650 HD12 LEU 77 HD12 LEU 77 102.654 3.384 -1.841 651 HD13 LEU 77 HD13 LEU 77 102.553 1.655 -2.166 652 HD21 LEU 77 HD21 LEU 77 100.541 4.925 -2.940 653 HD22 LEU 77 HD22 LEU 77 99.875 3.961 -1.625 654 HD23 LEU 77 HD23 LEU 77 99.136 3.902 -3.218 655 H ASP 78 HN ASP 78 100.307 4.466 -7.837 656 HA ASP 78 HA ASP 78 101.843 2.369 -9.249 657 HB2 ASP 78 HB2 ASP 78 99.430 2.812 -9.823 658 HB3 ASP 78 HB1 ASP 78 99.948 4.370 -10.465 659 H ILE 79 HN ILE 79 103.829 2.802 -9.818 660 HA ILE 79 HA ILE 79 104.668 5.569 -10.434 661 HB ILE 79 HB ILE 79 106.448 3.130 -10.277 662 HG12 ILE 79 HG12 ILE 79 105.790 5.088 -8.055 663 HG13 ILE 79 HG11 ILE 79 105.192 3.431 -8.138 664 HG21 ILE 79 HG21 ILE 79 107.375 5.110 -11.390 665 HG22 ILE 79 HG22 ILE 79 108.176 4.854 -9.845 666 HG23 ILE 79 HG23 ILE 79 106.949 6.110 -10.002 667 HD11 ILE 79 HD11 ILE 79 108.028 4.385 -7.754 668 HD12 ILE 79 HD12 ILE 79 107.683 2.754 -8.326 669 HD13 ILE 79 HD13 ILE 79 107.092 3.276 -6.751 670 H VAL 80 HN VAL 80 105.799 5.965 -12.451 671 HA VAL 80 HA VAL 80 105.370 3.908 -14.541 672 HB VAL 80 HB VAL 80 104.727 6.869 -14.742 673 HG11 VAL 80 HG11 VAL 80 105.662 6.282 -16.845 674 HG12 VAL 80 HG12 VAL 80 103.929 6.078 -17.078 675 HG13 VAL 80 HG13 VAL 80 104.954 4.669 -16.806 676 HG21 VAL 80 HG21 VAL 80 103.069 5.222 -13.632 677 HG22 VAL 80 HG22 VAL 80 102.904 4.504 -15.229 678 HG23 VAL 80 HG23 VAL 80 102.457 6.191 -14.972 679 H ASP 81 HN ASP 81 106.498 7.187 -15.028 680 HA ASP 81 HA ASP 81 109.307 6.382 -14.990 681 HB2 ASP 81 HB2 ASP 81 108.474 5.747 -17.270 682 HB3 ASP 81 HB1 ASP 81 108.038 7.438 -17.531 683 H CYS 82 HN CYS 82 108.181 8.120 -13.274 684 HA CYS 82 HA CYS 82 108.811 10.829 -14.337 685 HB2 CYS 82 HB2 CYS 82 107.219 10.016 -11.891 686 HB3 CYS 82 HB1 CYS 82 107.527 11.673 -12.414 687 HG CYS 82 HG CYS 82 105.245 10.170 -13.393 688 H LYS 83 HN LYS 83 108.757 9.686 -11.020 689 HA LYS 83 HA LYS 83 111.682 10.114 -10.790 690 HB2 LYS 83 HB2 LYS 83 111.331 11.198 -8.626 691 HB3 LYS 83 HB1 LYS 83 110.453 12.076 -9.879 692 HG2 LYS 83 HG2 LYS 83 108.384 10.819 -9.253 693 HG3 LYS 83 HG1 LYS 83 109.277 10.083 -7.923 694 HD2 LYS 83 HD2 LYS 83 109.776 12.360 -7.037 695 HD3 LYS 83 HD1 LYS 83 108.754 13.044 -8.303 696 HE2 LYS 83 HE2 LYS 83 107.842 11.037 -6.223 697 HE3 LYS 83 HE1 LYS 83 107.521 12.769 -6.162 698 HZ1 LYS 83 HZ1 LYS 83 106.448 10.739 -7.998 699 HZ2 LYS 83 HZ2 LYS 83 106.584 12.347 -8.533 700 HZ3 LYS 83 HZ3 LYS 83 105.635 11.979 -7.173 701 H SER 84 HN SER 84 112.717 8.413 -9.811 702 HA SER 84 HA SER 84 111.096 6.558 -8.187 703 HB2 SER 84 HB2 SER 84 112.737 5.990 -10.627 704 HB3 SER 84 HB1 SER 84 112.592 4.760 -9.381 705 HG SER 84 HG SER 84 110.546 4.496 -9.867 706 H TYR 85 HN TYR 85 114.361 7.452 -9.235 707 HA TYR 85 HA TYR 85 115.891 6.090 -7.403 708 HB2 TYR 85 HB2 TYR 85 116.887 7.192 -9.261 709 HB3 TYR 85 HB1 TYR 85 116.318 8.759 -8.733 710 HD1 TYR 85 HD1 TYR 85 118.003 6.044 -6.706 711 HD2 TYR 85 HD2 TYR 85 118.276 9.999 -8.384 712 HE1 TYR 85 HE1 TYR 85 120.135 6.410 -5.510 713 HE2 TYR 85 HE2 TYR 85 120.410 10.354 -7.178 714 HH TYR 85 HH TYR 85 121.392 8.832 -4.683 715 H ASP 86 HN ASP 86 114.190 6.462 -5.477 716 HA ASP 86 HA ASP 86 115.545 8.277 -3.644 717 HB2 ASP 86 HB2 ASP 86 113.776 9.662 -4.741 718 HB3 ASP 86 HB1 ASP 86 112.566 8.528 -4.130 719 H THR 87 HN THR 87 115.986 6.907 -2.009 720 HA THR 87 HA THR 87 114.218 4.705 -1.405 721 HB THR 87 HB THR 87 115.931 3.916 0.017 722 HG1 THR 87 HG1 THR 87 116.819 6.604 0.010 723 HG21 THR 87 HG21 THR 87 116.534 4.070 -2.446 724 HG22 THR 87 HG22 THR 87 117.904 3.978 -1.340 725 HG23 THR 87 HG23 THR 87 117.445 5.527 -2.048 726 H GLY 88 HN GLY 88 112.737 4.584 0.183 727 HA2 GLY 88 HA2 GLY 88 112.869 6.439 2.455 728 HA3 GLY 88 HA1 GLY 88 111.420 6.457 1.450 729 H GLU 89 HN GLU 89 110.182 5.754 3.301 730 HA GLU 89 HA GLU 89 110.295 2.813 3.672 731 HB2 GLU 89 HB2 GLU 89 110.012 4.849 5.916 732 HB3 GLU 89 HB1 GLU 89 109.828 3.101 6.089 733 HG2 GLU 89 HG2 GLU 89 112.142 2.776 5.314 734 HG3 GLU 89 HG1 GLU 89 112.320 4.520 5.119 735 H VAL 90 HN VAL 90 108.236 1.877 3.838 736 HA VAL 90 HA VAL 90 105.962 3.754 3.521 737 HB VAL 90 HB VAL 90 106.408 0.974 2.415 738 HG11 VAL 90 HG11 VAL 90 104.068 1.366 1.436 739 HG12 VAL 90 HG12 VAL 90 103.887 2.617 2.669 740 HG13 VAL 90 HG13 VAL 90 104.138 0.939 3.146 741 HG21 VAL 90 HG21 VAL 90 105.912 3.692 1.196 742 HG22 VAL 90 HG22 VAL 90 105.857 2.194 0.283 743 HG23 VAL 90 HG23 VAL 90 107.362 2.707 1.042 744 H LYS 91 HN LYS 91 104.296 3.591 4.862 745 HA LYS 91 HA LYS 91 103.953 1.381 6.712 746 HB2 LYS 91 HB2 LYS 91 105.591 2.896 7.843 747 HB3 LYS 91 HB1 LYS 91 104.442 4.219 7.682 748 HG2 LYS 91 HG2 LYS 91 102.804 2.994 9.033 749 HG3 LYS 91 HG1 LYS 91 103.912 1.634 9.164 750 HD2 LYS 91 HD2 LYS 91 105.554 3.069 10.318 751 HD3 LYS 91 HD1 LYS 91 104.431 4.425 10.206 752 HE2 LYS 91 HE2 LYS 91 102.772 3.168 11.527 753 HE3 LYS 91 HE1 LYS 91 103.888 1.806 11.634 754 HZ1 LYS 91 HZ1 LYS 91 103.839 4.242 13.134 755 HZ2 LYS 91 HZ2 LYS 91 105.367 3.935 12.460 756 HZ3 LYS 91 HZ3 LYS 91 104.634 2.781 13.470 757 H VAL 92 HN VAL 92 101.790 1.262 7.365 758 HA VAL 92 HA VAL 92 100.028 3.449 6.391 759 HB VAL 92 HB VAL 92 98.462 1.803 5.639 760 HG11 VAL 92 HG11 VAL 92 99.780 0.696 3.892 761 HG12 VAL 92 HG12 VAL 92 101.260 1.032 4.792 762 HG13 VAL 92 HG13 VAL 92 100.316 2.359 4.121 763 HG21 VAL 92 HG21 VAL 92 100.317 -0.106 7.042 764 HG22 VAL 92 HG22 VAL 92 99.208 -0.666 5.788 765 HG23 VAL 92 HG23 VAL 92 98.578 0.086 7.256 766 H THR 93 HN THR 93 98.649 4.228 7.771 767 HA THR 93 HA THR 93 98.167 2.793 10.328 768 HB THR 93 HB THR 93 97.887 4.946 11.389 769 HG1 THR 93 HG1 THR 93 97.933 6.829 10.232 770 HG21 THR 93 HG21 THR 93 100.338 4.746 9.630 771 HG22 THR 93 HG22 THR 93 100.178 4.311 11.331 772 HG23 THR 93 HG23 THR 93 100.146 6.007 10.847 773 H ALA 94 HN ALA 94 96.273 1.816 10.161 774 HA ALA 94 HA ALA 94 94.008 3.290 8.900 775 HB1 ALA 94 HB1 ALA 94 93.088 0.913 8.575 776 HB2 ALA 94 HB2 ALA 94 94.731 0.361 8.911 777 HB3 ALA 94 HB3 ALA 94 94.417 1.408 7.529 778 H GLU 95 HN GLU 95 92.154 3.473 10.082 779 HA GLU 95 HA GLU 95 91.973 1.949 12.585 780 HB2 GLU 95 HB2 GLU 95 91.381 4.119 13.778 781 HB3 GLU 95 HB1 GLU 95 93.083 3.870 13.380 782 HG2 GLU 95 HG2 GLU 95 92.836 5.274 11.378 783 HG3 GLU 95 HG1 GLU 95 91.134 5.507 11.742 784 H ASN 96 HN ASN 96 90.151 0.961 12.464 785 HA ASN 96 HA ASN 96 87.775 2.249 11.330 786 HB2 ASN 96 HB2 ASN 96 86.984 -0.282 11.954 787 HB3 ASN 96 HB1 ASN 96 87.745 0.121 10.423 788 HD21 ASN 96 HD21 ASN 96 90.351 0.080 10.670 789 HD22 ASN 96 HD22 ASN 96 90.947 -1.282 11.489 790 HA PRO 97 HA PRO 97 86.141 3.159 15.294 791 HB2 PRO 97 HB2 PRO 97 83.566 1.857 15.037 792 HB3 PRO 97 HB1 PRO 97 83.943 3.578 14.863 793 HG2 PRO 97 HG2 PRO 97 83.364 1.636 12.800 794 HG3 PRO 97 HG1 PRO 97 83.582 3.389 12.645 795 HD2 PRO 97 HD2 PRO 97 85.385 1.380 11.760 796 HD3 PRO 97 HD1 PRO 97 85.695 3.121 11.823 797 H GLU 98 HN GLU 98 86.191 -0.221 14.292 798 HA GLU 98 HA GLU 98 85.725 -1.096 17.076 799 HB2 GLU 98 HB2 GLU 98 85.692 -2.572 14.450 800 HB3 GLU 98 HB1 GLU 98 85.545 -3.364 16.019 801 HG2 GLU 98 HG2 GLU 98 83.565 -2.006 16.536 802 HG3 GLU 98 HG1 GLU 98 83.723 -1.172 14.991 803 H GLY 99 HN GLY 99 88.416 -0.589 14.984 804 HA2 GLY 99 HA2 GLY 99 90.189 -1.698 16.913 805 HA3 GLY 99 HA1 GLY 99 90.050 -2.761 15.514 806 H VAL 100 HN VAL 100 92.460 -1.898 15.875 807 HA VAL 100 HA VAL 100 92.863 0.103 13.741 808 HB VAL 100 HB VAL 100 94.216 0.125 16.450 809 HG11 VAL 100 HG11 VAL 100 95.937 0.545 14.832 810 HG12 VAL 100 HG12 VAL 100 95.435 2.115 15.451 811 HG13 VAL 100 HG13 VAL 100 94.868 1.570 13.874 812 HG21 VAL 100 HG21 VAL 100 92.566 2.174 14.937 813 HG22 VAL 100 HG22 VAL 100 93.323 2.436 16.505 814 HG23 VAL 100 HG23 VAL 100 92.027 1.255 16.340 815 H ILE 101 HN ILE 101 94.351 -0.508 12.280 816 HA ILE 101 HA ILE 101 96.295 -2.600 13.009 817 HB ILE 101 HB ILE 101 94.914 -2.551 10.329 818 HG12 ILE 101 HG12 ILE 101 94.294 -4.540 12.523 819 HG13 ILE 101 HG11 ILE 101 93.349 -3.064 12.346 820 HG21 ILE 101 HG21 ILE 101 95.840 -4.878 10.263 821 HG22 ILE 101 HG22 ILE 101 96.610 -4.579 11.818 822 HG23 ILE 101 HG23 ILE 101 97.094 -3.646 10.402 823 HD11 ILE 101 HD11 ILE 101 92.648 -3.669 10.135 824 HD12 ILE 101 HD12 ILE 101 92.422 -5.102 11.138 825 HD13 ILE 101 HD13 ILE 101 93.812 -4.992 10.060 826 H GLU 102 HN GLU 102 98.300 -2.140 12.490 827 HA GLU 102 HA GLU 102 98.873 -0.317 10.257 828 HB2 GLU 102 HB2 GLU 102 100.408 1.020 11.598 829 HB3 GLU 102 HB1 GLU 102 98.806 1.074 12.327 830 HG2 GLU 102 HG2 GLU 102 99.501 -0.739 13.897 831 HG3 GLU 102 HG1 GLU 102 101.125 -0.667 13.215 832 H HIS 103 HN HIS 103 100.989 -0.624 9.362 833 HA HIS 103 HA HIS 103 102.526 -2.914 10.447 834 HB2 HIS 103 HB2 HIS 103 102.490 -4.107 8.432 835 HB3 HIS 103 HB1 HIS 103 100.846 -3.484 8.517 836 HD1 HIS 103 HD1 HIS 103 100.086 -2.361 6.408 837 HD2 HIS 103 HD2 HIS 103 104.218 -2.156 6.836 838 HE1 HIS 103 HE1 HIS 103 100.976 -1.220 4.332 839 H LYS 104 HN LYS 104 104.692 -2.813 10.170 840 HA LYS 104 HA LYS 104 105.816 -0.333 8.979 841 HB2 LYS 104 HB2 LYS 104 106.904 -2.291 11.010 842 HB3 LYS 104 HB1 LYS 104 107.862 -0.994 10.299 843 HG2 LYS 104 HG2 LYS 104 106.284 0.672 11.162 844 HG3 LYS 104 HG1 LYS 104 105.279 -0.610 11.843 845 HD2 LYS 104 HD2 LYS 104 107.194 -1.344 13.245 846 HD3 LYS 104 HD1 LYS 104 108.156 -0.022 12.587 847 HE2 LYS 104 HE2 LYS 104 105.570 0.308 14.123 848 HE3 LYS 104 HE1 LYS 104 107.182 0.576 14.776 849 HZ1 LYS 104 HZ1 LYS 104 105.718 2.136 12.763 850 HZ2 LYS 104 HZ2 LYS 104 107.416 2.144 12.755 851 HZ3 LYS 104 HZ3 LYS 104 106.566 2.674 14.129 852 H VAL 105 HN VAL 105 106.626 -0.525 7.006 853 HA VAL 105 HA VAL 105 108.285 -2.880 6.325 854 HB VAL 105 HB VAL 105 107.359 -2.835 4.012 855 HG11 VAL 105 HG11 VAL 105 106.203 -4.576 4.944 856 HG12 VAL 105 HG12 VAL 105 104.834 -3.469 4.984 857 HG13 VAL 105 HG13 VAL 105 105.842 -3.678 6.410 858 HG21 VAL 105 HG21 VAL 105 106.566 -0.529 4.030 859 HG22 VAL 105 HG22 VAL 105 105.350 -0.928 5.234 860 HG23 VAL 105 HG23 VAL 105 105.245 -1.612 3.617 861 H LYS 106 HN LYS 106 109.751 -2.390 4.451 862 HA LYS 106 HA LYS 106 110.299 0.511 4.190 863 HB2 LYS 106 HB2 LYS 106 112.694 0.079 4.392 864 HB3 LYS 106 HB1 LYS 106 111.846 -0.428 5.852 865 HG2 LYS 106 HG2 LYS 106 111.810 -2.753 4.992 866 HG3 LYS 106 HG1 LYS 106 112.743 -2.225 3.596 867 HD2 LYS 106 HD2 LYS 106 114.567 -1.483 5.085 868 HD3 LYS 106 HD1 LYS 106 113.642 -2.045 6.481 869 HE2 LYS 106 HE2 LYS 106 113.653 -4.330 5.577 870 HE3 LYS 106 HE1 LYS 106 114.563 -3.777 4.174 871 HZ1 LYS 106 HZ1 LYS 106 116.138 -4.634 5.660 872 HZ2 LYS 106 HZ2 LYS 106 115.437 -3.859 6.999 873 HZ3 LYS 106 HZ3 LYS 106 116.259 -2.950 5.821 874 H LEU 107 HN LEU 107 110.657 1.201 2.227 875 HA LEU 107 HA LEU 107 111.287 -0.732 0.062 876 HB2 LEU 107 HB2 LEU 107 109.234 1.473 0.163 877 HB3 LEU 107 HB1 LEU 107 109.962 1.019 -1.376 878 HG LEU 107 HG LEU 107 109.269 -1.346 -0.958 879 HD11 LEU 107 HD11 LEU 107 108.873 -1.789 1.248 880 HD12 LEU 107 HD12 LEU 107 107.236 -1.279 0.861 881 HD13 LEU 107 HD13 LEU 107 108.357 -0.143 1.608 882 HD21 LEU 107 HD21 LEU 107 107.862 -0.093 -2.395 883 HD22 LEU 107 HD22 LEU 107 107.219 0.874 -1.065 884 HD23 LEU 107 HD23 LEU 107 106.755 -0.823 -1.228 885 H GLU 108 HN GLU 108 113.166 -0.227 -0.911 886 HA GLU 108 HA GLU 108 114.120 2.573 -0.784 887 HB2 GLU 108 HB2 GLU 108 116.435 1.480 -0.924 888 HB3 GLU 108 HB1 GLU 108 115.577 1.336 0.606 889 HG2 GLU 108 HG2 GLU 108 114.893 -0.911 0.115 890 HG3 GLU 108 HG1 GLU 108 115.471 -0.792 -1.543 891 H ILE 109 HN ILE 109 114.299 3.537 -2.759 892 HA ILE 109 HA ILE 109 114.313 1.781 -5.143 893 HB ILE 109 HB ILE 109 113.769 4.758 -4.969 894 HG12 ILE 109 HG12 ILE 109 111.781 2.474 -5.199 895 HG13 ILE 109 HG11 ILE 109 112.130 3.315 -3.690 896 HG21 ILE 109 HG21 ILE 109 113.640 2.694 -7.157 897 HG22 ILE 109 HG22 ILE 109 114.306 4.312 -7.212 898 HG23 ILE 109 HG23 ILE 109 112.565 4.071 -7.209 899 HD11 ILE 109 HD11 ILE 109 110.983 4.514 -6.227 900 HD12 ILE 109 HD12 ILE 109 111.502 5.472 -4.841 901 HD13 ILE 109 HD13 ILE 109 110.164 4.334 -4.675 902 H GLN 110 HN GLN 110 116.375 1.302 -5.762 903 HA GLN 110 HA GLN 110 118.521 3.223 -5.402 904 HB2 GLN 110 HB2 GLN 110 118.658 0.664 -5.091 905 HB3 GLN 110 HB1 GLN 110 118.743 0.585 -6.848 906 HG2 GLN 110 HG2 GLN 110 120.727 2.065 -6.822 907 HG3 GLN 110 HG1 GLN 110 120.615 2.183 -5.074 908 HE21 GLN 110 HE21 GLN 110 122.944 1.133 -6.377 909 HE22 GLN 110 HE22 GLN 110 123.066 -0.513 -5.983 910 H GLN 111 HN GLN 111 119.510 1.673 -8.060 911 HA GLN 111 HA GLN 111 118.196 3.354 -10.049 912 HB2 GLN 111 HB2 GLN 111 121.145 3.545 -9.420 913 HB3 GLN 111 HB1 GLN 111 120.410 4.171 -10.892 914 HG2 GLN 111 HG2 GLN 111 118.946 5.634 -9.538 915 HG3 GLN 111 HG1 GLN 111 119.698 5.017 -8.068 916 HE21 GLN 111 HE21 GLN 111 119.756 7.811 -9.367 917 HE22 GLN 111 HE22 GLN 111 121.410 8.179 -9.452 918 H LEU 112 HN LEU 112 118.680 2.751 -12.235 919 HA LEU 112 HA LEU 112 118.916 -0.034 -12.627 920 HB2 LEU 112 HB2 LEU 112 117.675 1.504 -14.129 921 HB3 LEU 112 HB1 LEU 112 119.204 2.218 -14.630 922 HG LEU 112 HG LEU 112 119.946 0.013 -15.475 923 HD11 LEU 112 HD11 LEU 112 117.871 -1.645 -15.745 924 HD12 LEU 112 HD12 LEU 112 117.316 -0.826 -14.285 925 HD13 LEU 112 HD13 LEU 112 118.864 -1.669 -14.291 926 HD21 LEU 112 HD21 LEU 112 117.244 0.920 -16.516 927 HD22 LEU 112 HD22 LEU 112 118.410 -0.054 -17.412 928 HD23 LEU 112 HD23 LEU 112 118.804 1.608 -16.970 929 H GLU 113 HN GLU 113 120.615 -1.321 -12.972 930 HA GLU 113 HA GLU 113 123.185 -0.192 -13.840 931 HB2 GLU 113 HB2 GLU 113 123.145 -0.154 -11.329 932 HB3 GLU 113 HB1 GLU 113 122.935 -1.900 -11.354 933 HG2 GLU 113 HG2 GLU 113 125.284 -1.524 -11.083 934 HG3 GLU 113 HG1 GLU 113 125.066 -2.013 -12.757 935 H HIS 114 HN HIS 114 123.306 -1.347 -15.692 936 HA HIS 114 HA HIS 114 122.734 -4.230 -15.689 937 HB2 HIS 114 HB2 HIS 114 123.313 -2.226 -17.876 938 HB3 HIS 114 HB1 HIS 114 123.212 -3.963 -18.175 939 HD1 HIS 114 HD1 HIS 114 120.898 -5.123 -17.685 940 HD2 HIS 114 HD2 HIS 114 120.831 -0.960 -17.487 941 HE1 HIS 114 HE1 HIS 114 118.458 -4.450 -17.694 942 H HIS 115 HN HIS 115 125.305 -2.281 -15.003 943 HA HIS 115 HA HIS 115 127.466 -3.360 -16.403 944 HB2 HIS 115 HB2 HIS 115 127.307 -2.301 -13.573 945 HB3 HIS 115 HB1 HIS 115 128.816 -2.656 -14.417 946 HD1 HIS 115 HD1 HIS 115 125.695 -0.507 -14.894 947 HD2 HIS 115 HD2 HIS 115 129.713 -0.572 -16.010 948 HE1 HIS 115 HE1 HIS 115 126.148 1.683 -16.075 949 H HIS 116 HN HIS 116 125.405 -4.853 -14.127 950 HA HIS 116 HA HIS 116 127.377 -6.985 -13.517 951 HB2 HIS 116 HB2 HIS 116 124.689 -6.409 -12.243 952 HB3 HIS 116 HB1 HIS 116 125.817 -7.673 -11.755 953 HD1 HIS 116 HD1 HIS 116 128.255 -6.764 -10.942 954 HD2 HIS 116 HD2 HIS 116 125.181 -3.949 -11.062 955 HE1 HIS 116 HE1 HIS 116 129.019 -4.810 -9.525 956 H HIS 117 HN HIS 117 126.277 -6.919 -16.133 957 HA HIS 117 HA HIS 117 124.635 -9.389 -16.065 958 HB2 HIS 117 HB2 HIS 117 123.133 -7.541 -16.569 959 HB3 HIS 117 HB1 HIS 117 124.199 -7.000 -17.873 960 HD1 HIS 117 HD1 HIS 117 123.402 -7.787 -20.093 961 HD2 HIS 117 HD2 HIS 117 122.493 -10.537 -17.097 962 HE1 HIS 117 HE1 HIS 117 122.255 -9.739 -21.232 963 H HIS 118 HN HIS 118 125.298 -7.791 -19.056 964 HA HIS 118 HA HIS 118 126.709 -10.055 -20.068 965 HB2 HIS 118 HB2 HIS 118 125.297 -8.562 -21.470 966 HB3 HIS 118 HB1 HIS 118 126.509 -7.294 -21.281 967 HD1 HIS 118 HD1 HIS 118 126.245 -10.874 -22.557 968 HD2 HIS 118 HD2 HIS 118 128.624 -7.488 -23.073 969 HE1 HIS 118 HE1 HIS 118 127.857 -11.414 -24.429 970 H HIS 119 HN HIS 119 127.715 -7.511 -18.134 971 HA HIS 119 HA HIS 119 129.767 -6.617 -17.588 972 HB2 HIS 119 HB2 HIS 119 130.617 -9.393 -18.447 973 HB3 HIS 119 HB1 HIS 119 131.629 -8.264 -17.549 974 HD1 HIS 119 HD1 HIS 119 130.315 -7.309 -15.256 975 HD2 HIS 119 HD2 HIS 119 129.188 -11.032 -16.756 976 HE1 HIS 119 HE1 HIS 119 129.145 -8.520 -13.364 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 94.635 -19.073 0.363 2 H2 ARG 1 HT2 ARG 1 93.865 -19.465 -1.100 3 H3 ARG 1 HT3 ARG 1 94.780 -20.637 -0.277 4 HA ARG 1 HA ARG 1 92.316 -19.375 0.780 5 HB2 ARG 1 HB2 ARG 1 92.800 -22.018 -0.613 6 HB3 ARG 1 HB1 ARG 1 91.360 -21.690 0.356 7 HG2 ARG 1 HG2 ARG 1 90.845 -19.739 -1.059 8 HG3 ARG 1 HG1 ARG 1 92.283 -20.059 -2.026 9 HD2 ARG 1 HD2 ARG 1 91.386 -22.211 -2.727 10 HD3 ARG 1 HD1 ARG 1 89.989 -22.004 -1.673 11 HE ARG 1 HE ARG 1 90.119 -19.792 -3.401 12 HH11 ARG 1 HH11 ARG 1 88.631 -19.707 -5.108 13 HH12 ARG 1 HH12 ARG 1 88.015 -21.178 -5.784 14 HH21 ARG 1 HH21 ARG 1 89.727 -23.224 -3.565 15 HH22 ARG 1 HH22 ARG 1 88.637 -23.170 -4.910 16 H MET 2 HN MET 2 95.180 -20.105 1.741 17 HA MET 2 HA MET 2 94.939 -22.264 3.553 18 HB2 MET 2 HB2 MET 2 97.110 -21.343 2.846 19 HB3 MET 2 HB1 MET 2 96.748 -19.844 3.704 20 HG2 MET 2 HG2 MET 2 96.685 -20.997 5.826 21 HG3 MET 2 HG1 MET 2 96.809 -22.566 5.031 22 HE1 MET 2 HE1 MET 2 98.196 -19.156 5.407 23 HE2 MET 2 HE2 MET 2 99.050 -19.323 3.874 24 HE3 MET 2 HE3 MET 2 99.960 -19.286 5.382 25 H ALA 3 HN ALA 3 94.354 -18.783 3.885 26 HA ALA 3 HA ALA 3 93.867 -18.827 6.682 27 HB1 ALA 3 HB1 ALA 3 94.387 -16.759 5.431 28 HB2 ALA 3 HB2 ALA 3 92.884 -16.610 6.342 29 HB3 ALA 3 HB3 ALA 3 92.835 -16.884 4.601 30 H HIS 4 HN HIS 4 92.060 -19.184 7.844 31 HA HIS 4 HA HIS 4 89.949 -20.697 6.675 32 HB2 HIS 4 HB2 HIS 4 90.239 -19.432 9.408 33 HB3 HIS 4 HB1 HIS 4 88.927 -20.522 8.955 34 HD1 HIS 4 HD1 HIS 4 89.893 -22.896 7.833 35 HD2 HIS 4 HD2 HIS 4 92.412 -20.799 10.412 36 HE1 HIS 4 HE1 HIS 4 91.668 -24.535 8.589 37 H GLU 5 HN GLU 5 89.232 -19.252 5.010 38 HA GLU 5 HA GLU 5 86.949 -17.721 5.799 39 HB2 GLU 5 HB2 GLU 5 87.763 -15.562 4.806 40 HB3 GLU 5 HB1 GLU 5 88.558 -16.009 6.317 41 HG2 GLU 5 HG2 GLU 5 90.450 -16.951 5.053 42 HG3 GLU 5 HG1 GLU 5 89.659 -16.519 3.538 43 H GLY 6 HN GLY 6 87.064 -19.879 4.197 44 HA2 GLY 6 HA2 GLY 6 87.391 -19.233 1.420 45 HA3 GLY 6 HA1 GLY 6 86.666 -20.701 2.072 46 H ALA 7 HN ALA 7 85.115 -18.268 3.611 47 HA ALA 7 HA ALA 7 82.664 -18.660 2.283 48 HB1 ALA 7 HB1 ALA 7 81.906 -16.676 3.598 49 HB2 ALA 7 HB2 ALA 7 83.574 -16.428 4.111 50 HB3 ALA 7 HB3 ALA 7 82.717 -17.896 4.582 51 H LEU 8 HN LEU 8 81.668 -17.629 0.641 52 HA LEU 8 HA LEU 8 83.232 -15.943 -1.085 53 HB2 LEU 8 HB2 LEU 8 80.405 -16.992 -1.126 54 HB3 LEU 8 HB1 LEU 8 80.945 -15.813 -2.314 55 HG LEU 8 HG LEU 8 81.113 -18.280 -2.994 56 HD11 LEU 8 HD11 LEU 8 82.466 -16.272 -3.960 57 HD12 LEU 8 HD12 LEU 8 83.017 -17.905 -4.313 58 HD13 LEU 8 HD13 LEU 8 83.822 -16.957 -3.068 59 HD21 LEU 8 HD21 LEU 8 83.546 -18.240 -1.187 60 HD22 LEU 8 HD22 LEU 8 82.923 -19.598 -2.117 61 HD23 LEU 8 HD23 LEU 8 82.016 -18.990 -0.732 62 H THR 9 HN THR 9 83.136 -13.753 -1.342 63 HA THR 9 HA THR 9 81.827 -12.229 0.749 64 HB THR 9 HB THR 9 82.949 -10.301 -0.228 65 HG1 THR 9 HG1 THR 9 84.208 -11.796 -2.171 66 HG21 THR 9 HG21 THR 9 85.324 -11.240 -0.234 67 HG22 THR 9 HG22 THR 9 84.593 -12.830 -0.030 68 HG23 THR 9 HG23 THR 9 84.362 -11.588 1.201 69 H GLY 10 HN GLY 10 80.457 -10.364 0.268 70 HA2 GLY 10 HA2 GLY 10 78.302 -11.083 -1.484 71 HA3 GLY 10 HA1 GLY 10 78.415 -9.616 -0.517 72 H VAL 11 HN VAL 11 77.496 -9.877 -3.257 73 HA VAL 11 HA VAL 11 79.578 -8.772 -4.953 74 HB VAL 11 HB VAL 11 77.821 -8.650 -6.661 75 HG11 VAL 11 HG11 VAL 11 77.424 -11.010 -6.870 76 HG12 VAL 11 HG12 VAL 11 77.561 -11.248 -5.129 77 HG13 VAL 11 HG13 VAL 11 78.988 -10.824 -6.075 78 HG21 VAL 11 HG21 VAL 11 75.539 -9.574 -6.017 79 HG22 VAL 11 HG22 VAL 11 75.906 -7.971 -5.378 80 HG23 VAL 11 HG23 VAL 11 76.027 -9.386 -4.333 81 H THR 12 HN THR 12 79.999 -6.668 -5.276 82 HA THR 12 HA THR 12 79.961 -4.393 -4.884 83 HB THR 12 HB THR 12 77.876 -3.291 -5.527 84 HG1 THR 12 HG1 THR 12 76.004 -4.417 -5.670 85 HG21 THR 12 HG21 THR 12 79.130 -4.090 -7.391 86 HG22 THR 12 HG22 THR 12 77.461 -4.574 -7.697 87 HG23 THR 12 HG23 THR 12 78.626 -5.757 -7.107 88 H THR 13 HN THR 13 77.177 -3.356 -3.865 89 HA THR 13 HA THR 13 77.935 -2.884 -1.204 90 HB THR 13 HB THR 13 75.756 -1.900 -0.945 91 HG1 THR 13 HG1 THR 13 74.630 -2.568 -3.272 92 HG21 THR 13 HG21 THR 13 77.413 -0.867 -2.576 93 HG22 THR 13 HG22 THR 13 75.728 -0.404 -2.818 94 HG23 THR 13 HG23 THR 13 76.473 -1.609 -3.870 95 H ASP 14 HN ASP 14 74.762 -3.863 -0.939 96 HA ASP 14 HA ASP 14 73.807 -5.451 0.443 97 HB2 ASP 14 HB2 ASP 14 75.499 -7.073 -1.458 98 HB3 ASP 14 HB1 ASP 14 74.398 -7.820 -0.301 99 H GLN 15 HN GLN 15 75.854 -4.233 1.814 100 HA GLN 15 HA GLN 15 76.550 -6.274 3.700 101 HB2 GLN 15 HB2 GLN 15 78.282 -6.681 1.973 102 HB3 GLN 15 HB1 GLN 15 78.824 -5.011 2.154 103 HG2 GLN 15 HG2 GLN 15 79.419 -5.387 4.470 104 HG3 GLN 15 HG1 GLN 15 78.708 -6.999 4.437 105 HE21 GLN 15 HE21 GLN 15 81.414 -6.751 5.162 106 HE22 GLN 15 HE22 GLN 15 82.392 -7.366 3.919 107 H LYS 16 HN LYS 16 75.602 -4.960 5.222 108 HA LYS 16 HA LYS 16 77.039 -2.434 5.864 109 HB2 LYS 16 HB2 LYS 16 74.095 -3.070 6.189 110 HB3 LYS 16 HB1 LYS 16 74.887 -1.649 6.860 111 HG2 LYS 16 HG2 LYS 16 75.533 -0.934 4.582 112 HG3 LYS 16 HG1 LYS 16 74.715 -2.351 3.914 113 HD2 LYS 16 HD2 LYS 16 72.591 -1.581 4.978 114 HD3 LYS 16 HD1 LYS 16 73.423 -0.122 5.515 115 HE2 LYS 16 HE2 LYS 16 73.200 -0.976 2.616 116 HE3 LYS 16 HE1 LYS 16 72.125 0.189 3.388 117 HZ1 LYS 16 HZ1 LYS 16 73.766 1.478 2.405 118 HZ2 LYS 16 HZ2 LYS 16 75.020 0.425 2.858 119 HZ3 LYS 16 HZ3 LYS 16 74.257 1.393 4.027 120 H GLU 17 HN GLU 17 76.805 -5.503 6.750 121 HA GLU 17 HA GLU 17 76.273 -5.168 9.592 122 HB2 GLU 17 HB2 GLU 17 77.160 -7.557 7.958 123 HB3 GLU 17 HB1 GLU 17 76.831 -7.604 9.691 124 HG2 GLU 17 HG2 GLU 17 74.526 -6.840 9.286 125 HG3 GLU 17 HG1 GLU 17 74.850 -6.762 7.556 126 H LYS 18 HN LYS 18 77.789 -5.575 11.233 127 HA LYS 18 HA LYS 18 80.390 -4.473 10.745 128 HB2 LYS 18 HB2 LYS 18 79.158 -4.249 12.916 129 HB3 LYS 18 HB1 LYS 18 79.440 -5.968 13.194 130 HG2 LYS 18 HG2 LYS 18 81.861 -5.620 13.109 131 HG3 LYS 18 HG1 LYS 18 81.625 -3.921 12.716 132 HD2 LYS 18 HD2 LYS 18 82.077 -3.973 15.056 133 HD3 LYS 18 HD1 LYS 18 80.338 -3.721 14.912 134 HE2 LYS 18 HE2 LYS 18 79.867 -6.006 15.450 135 HE3 LYS 18 HE1 LYS 18 81.554 -6.477 15.241 136 HZ1 LYS 18 HZ1 LYS 18 81.997 -5.914 17.320 137 HZ2 LYS 18 HZ2 LYS 18 80.330 -5.714 17.574 138 HZ3 LYS 18 HZ3 LYS 18 81.292 -4.382 17.139 139 H GLN 19 HN GLN 19 82.306 -5.500 10.330 140 HA GLN 19 HA GLN 19 82.440 -8.428 10.639 141 HB2 GLN 19 HB2 GLN 19 81.820 -8.043 8.322 142 HB3 GLN 19 HB1 GLN 19 83.087 -6.836 8.146 143 HG2 GLN 19 HG2 GLN 19 84.810 -8.470 8.334 144 HG3 GLN 19 HG1 GLN 19 83.677 -9.705 8.892 145 HE21 GLN 19 HE21 GLN 19 85.321 -10.162 6.605 146 HE22 GLN 19 HE22 GLN 19 84.333 -10.203 5.224 147 H LYS 20 HN LYS 20 84.755 -9.178 10.345 148 HA LYS 20 HA LYS 20 86.445 -7.544 12.010 149 HB2 LYS 20 HB2 LYS 20 87.003 -10.184 10.658 150 HB3 LYS 20 HB1 LYS 20 87.962 -9.454 11.945 151 HG2 LYS 20 HG2 LYS 20 85.945 -9.479 13.416 152 HG3 LYS 20 HG1 LYS 20 85.057 -10.315 12.144 153 HD2 LYS 20 HD2 LYS 20 87.671 -11.467 13.107 154 HD3 LYS 20 HD1 LYS 20 86.218 -11.703 14.074 155 HE2 LYS 20 HE2 LYS 20 86.387 -12.387 11.124 156 HE3 LYS 20 HE1 LYS 20 86.663 -13.556 12.415 157 HZ1 LYS 20 HZ1 LYS 20 84.271 -12.086 12.850 158 HZ2 LYS 20 HZ2 LYS 20 84.496 -13.766 12.727 159 HZ3 LYS 20 HZ3 LYS 20 84.246 -12.835 11.328 160 HA PRO 21 HA PRO 21 88.210 -5.630 8.279 161 HB2 PRO 21 HB2 PRO 21 90.273 -4.341 9.864 162 HB3 PRO 21 HB1 PRO 21 88.867 -3.604 9.086 163 HG2 PRO 21 HG2 PRO 21 89.272 -4.041 11.862 164 HG3 PRO 21 HG1 PRO 21 87.822 -3.414 11.069 165 HD2 PRO 21 HD2 PRO 21 88.223 -6.033 12.278 166 HD3 PRO 21 HD1 PRO 21 86.732 -5.333 11.617 167 H ASP 22 HN ASP 22 90.171 -5.788 7.070 168 HA ASP 22 HA ASP 22 92.402 -7.274 8.129 169 HB2 ASP 22 HB2 ASP 22 92.224 -9.101 6.416 170 HB3 ASP 22 HB1 ASP 22 91.006 -9.172 7.687 171 H ILE 23 HN ILE 23 93.775 -5.761 7.477 172 HA ILE 23 HA ILE 23 93.672 -4.588 4.838 173 HB ILE 23 HB ILE 23 94.345 -3.310 6.870 174 HG12 ILE 23 HG12 ILE 23 96.429 -3.547 4.669 175 HG13 ILE 23 HG11 ILE 23 94.997 -2.541 4.624 176 HG21 ILE 23 HG21 ILE 23 95.685 -5.269 7.810 177 HG22 ILE 23 HG22 ILE 23 96.456 -3.683 7.906 178 HG23 ILE 23 HG23 ILE 23 96.949 -4.829 6.664 179 HD11 ILE 23 HD11 ILE 23 96.320 -0.921 5.438 180 HD12 ILE 23 HD12 ILE 23 97.572 -2.071 5.916 181 HD13 ILE 23 HD13 ILE 23 96.206 -1.752 6.990 182 H VAL 24 HN VAL 24 94.891 -4.973 3.126 183 HA VAL 24 HA VAL 24 96.979 -7.073 3.283 184 HB VAL 24 HB VAL 24 95.208 -7.832 1.854 185 HG11 VAL 24 HG11 VAL 24 94.142 -5.592 1.567 186 HG12 VAL 24 HG12 VAL 24 94.280 -6.480 0.049 187 HG13 VAL 24 HG13 VAL 24 95.405 -5.172 0.414 188 HG21 VAL 24 HG21 VAL 24 96.369 -8.132 -0.210 189 HG22 VAL 24 HG22 VAL 24 97.632 -7.944 1.006 190 HG23 VAL 24 HG23 VAL 24 97.212 -6.590 -0.045 191 H LEU 25 HN LEU 25 98.981 -6.474 2.850 192 HA LEU 25 HA LEU 25 99.613 -4.260 1.104 193 HB2 LEU 25 HB2 LEU 25 100.945 -3.024 2.783 194 HB3 LEU 25 HB1 LEU 25 99.229 -3.013 3.151 195 HG LEU 25 HG LEU 25 100.437 -3.362 5.203 196 HD11 LEU 25 HD11 LEU 25 99.517 -6.156 4.601 197 HD12 LEU 25 HD12 LEU 25 98.362 -4.824 4.632 198 HD13 LEU 25 HD13 LEU 25 99.313 -5.195 6.064 199 HD21 LEU 25 HD21 LEU 25 102.184 -4.834 5.555 200 HD22 LEU 25 HD22 LEU 25 102.464 -4.409 3.874 201 HD23 LEU 25 HD23 LEU 25 101.677 -5.936 4.279 202 H TYR 26 HN TYR 26 102.271 -3.923 1.530 203 HA TYR 26 HA TYR 26 103.349 -6.467 0.685 204 HB2 TYR 26 HB2 TYR 26 104.370 -3.675 0.958 205 HB3 TYR 26 HB1 TYR 26 105.564 -4.973 0.905 206 HD1 TYR 26 HD1 TYR 26 106.459 -5.235 -1.242 207 HD2 TYR 26 HD2 TYR 26 102.276 -4.349 -0.811 208 HE1 TYR 26 HE1 TYR 26 106.172 -5.388 -3.698 209 HE2 TYR 26 HE2 TYR 26 101.991 -4.504 -3.270 210 HH TYR 26 HH TYR 26 103.536 -5.908 -5.212 211 HA PRO 27 HA PRO 27 104.248 -7.347 5.073 212 HB2 PRO 27 HB2 PRO 27 105.012 -10.074 4.441 213 HB3 PRO 27 HB1 PRO 27 103.554 -9.505 5.268 214 HG2 PRO 27 HG2 PRO 27 103.634 -10.632 2.725 215 HG3 PRO 27 HG1 PRO 27 102.299 -9.683 3.397 216 HD2 PRO 27 HD2 PRO 27 104.388 -8.861 1.431 217 HD3 PRO 27 HD1 PRO 27 102.725 -8.291 1.633 218 H GLU 28 HN GLU 28 106.376 -7.832 2.343 219 HA GLU 28 HA GLU 28 108.704 -7.698 4.175 220 HB2 GLU 28 HB2 GLU 28 109.968 -9.015 2.523 221 HB3 GLU 28 HB1 GLU 28 108.577 -9.901 3.147 222 HG2 GLU 28 HG2 GLU 28 107.273 -9.230 1.145 223 HG3 GLU 28 HG1 GLU 28 108.695 -8.402 0.513 224 HA PRO 29 HA PRO 29 109.789 -3.937 2.019 225 HB2 PRO 29 HB2 PRO 29 112.648 -4.406 2.196 226 HB3 PRO 29 HB1 PRO 29 111.660 -3.311 3.169 227 HG2 PRO 29 HG2 PRO 29 112.805 -5.836 3.929 228 HG3 PRO 29 HG1 PRO 29 111.909 -4.686 4.929 229 HD2 PRO 29 HD2 PRO 29 110.997 -7.235 4.024 230 HD3 PRO 29 HD1 PRO 29 110.052 -5.998 4.875 231 H VAL 30 HN VAL 30 110.564 -3.267 -0.036 232 HA VAL 30 HA VAL 30 111.899 -5.235 -1.747 233 HB VAL 30 HB VAL 30 109.624 -5.817 -2.205 234 HG11 VAL 30 HG11 VAL 30 109.200 -2.838 -2.410 235 HG12 VAL 30 HG12 VAL 30 108.415 -3.969 -1.309 236 HG13 VAL 30 HG13 VAL 30 108.045 -4.015 -3.036 237 HG21 VAL 30 HG21 VAL 30 109.523 -5.434 -4.550 238 HG22 VAL 30 HG22 VAL 30 111.241 -5.375 -4.161 239 HG23 VAL 30 HG23 VAL 30 110.343 -3.879 -4.414 240 H ARG 31 HN ARG 31 112.984 -4.335 -3.505 241 HA ARG 31 HA ARG 31 113.078 -1.372 -3.634 242 HB2 ARG 31 HB2 ARG 31 115.551 -1.661 -4.064 243 HB3 ARG 31 HB1 ARG 31 115.031 -2.042 -2.422 244 HG2 ARG 31 HG2 ARG 31 114.924 -4.458 -3.082 245 HG3 ARG 31 HG1 ARG 31 115.593 -4.016 -4.653 246 HD2 ARG 31 HD2 ARG 31 116.921 -3.492 -1.981 247 HD3 ARG 31 HD1 ARG 31 117.356 -4.788 -3.091 248 HE ARG 31 HE ARG 31 118.012 -1.978 -3.372 249 HH11 ARG 31 HH11 ARG 31 117.371 -4.942 -5.031 250 HH12 ARG 31 HH12 ARG 31 118.450 -4.604 -6.343 251 HH21 ARG 31 HH21 ARG 31 119.496 -1.562 -5.046 252 HH22 ARG 31 HH22 ARG 31 119.652 -2.689 -6.351 253 H VAL 32 HN VAL 32 113.328 -0.457 -5.606 254 HA VAL 32 HA VAL 32 113.413 -2.233 -7.980 255 HB VAL 32 HB VAL 32 111.419 -0.240 -7.150 256 HG11 VAL 32 HG11 VAL 32 112.665 0.095 -9.890 257 HG12 VAL 32 HG12 VAL 32 112.543 1.318 -8.633 258 HG13 VAL 32 HG13 VAL 32 111.090 0.735 -9.439 259 HG21 VAL 32 HG21 VAL 32 111.457 -2.045 -9.576 260 HG22 VAL 32 HG22 VAL 32 110.044 -1.365 -8.768 261 HG23 VAL 32 HG23 VAL 32 111.014 -2.594 -7.957 262 H LEU 33 HN LEU 33 114.453 -1.355 -9.844 263 HA LEU 33 HA LEU 33 116.594 0.555 -9.136 264 HB2 LEU 33 HB2 LEU 33 116.338 -1.427 -11.409 265 HB3 LEU 33 HB1 LEU 33 117.699 -0.336 -11.171 266 HG LEU 33 HG LEU 33 117.992 -1.338 -8.866 267 HD11 LEU 33 HD11 LEU 33 116.972 -3.805 -8.875 268 HD12 LEU 33 HD12 LEU 33 115.739 -3.050 -9.883 269 HD13 LEU 33 HD13 LEU 33 116.045 -2.445 -8.256 270 HD21 LEU 33 HD21 LEU 33 119.523 -2.036 -10.547 271 HD22 LEU 33 HD22 LEU 33 118.300 -3.000 -11.374 272 HD23 LEU 33 HD23 LEU 33 118.939 -3.528 -9.816 273 H GLU 34 HN GLU 34 116.766 2.507 -10.074 274 HA GLU 34 HA GLU 34 114.771 3.899 -11.242 275 HB2 GLU 34 HB2 GLU 34 116.969 4.854 -10.595 276 HB3 GLU 34 HB1 GLU 34 117.657 4.191 -12.074 277 HG2 GLU 34 HG2 GLU 34 116.055 5.516 -13.412 278 HG3 GLU 34 HG1 GLU 34 115.382 6.190 -11.929 279 H GLY 35 HN GLY 35 113.552 3.641 -12.936 280 HA2 GLY 35 HA2 GLY 35 113.386 3.720 -15.368 281 HA3 GLY 35 HA1 GLY 35 114.754 2.617 -15.460 282 H GLU 36 HN GLU 36 112.721 1.720 -12.946 283 HA GLU 36 HA GLU 36 111.275 -0.236 -14.657 284 HB2 GLU 36 HB2 GLU 36 112.780 -0.557 -12.082 285 HB3 GLU 36 HB1 GLU 36 111.400 -1.603 -12.390 286 HG2 GLU 36 HG2 GLU 36 113.518 -2.626 -13.147 287 HG3 GLU 36 HG1 GLU 36 112.416 -2.346 -14.496 288 H THR 37 HN THR 37 109.124 0.011 -14.587 289 HA THR 37 HA THR 37 107.862 1.742 -12.649 290 HB THR 37 HB THR 37 105.864 1.368 -13.875 291 HG1 THR 37 HG1 THR 37 105.387 -0.522 -14.668 292 HG21 THR 37 HG21 THR 37 107.764 2.441 -15.177 293 HG22 THR 37 HG22 THR 37 106.499 1.713 -16.165 294 HG23 THR 37 HG23 THR 37 108.028 0.866 -15.929 295 H ALA 38 HN ALA 38 106.140 0.977 -11.110 296 HA ALA 38 HA ALA 38 106.403 -1.904 -10.442 297 HB1 ALA 38 HB1 ALA 38 106.956 -1.540 -8.210 298 HB2 ALA 38 HB2 ALA 38 106.425 0.137 -8.245 299 HB3 ALA 38 HB3 ALA 38 107.924 -0.324 -9.043 300 H ARG 39 HN ARG 39 104.870 -2.539 -8.710 301 HA ARG 39 HA ARG 39 102.310 -1.071 -8.871 302 HB2 ARG 39 HB2 ARG 39 102.740 -3.989 -9.539 303 HB3 ARG 39 HB1 ARG 39 101.157 -3.255 -9.279 304 HG2 ARG 39 HG2 ARG 39 101.579 -1.668 -11.116 305 HG3 ARG 39 HG1 ARG 39 103.174 -2.376 -11.370 306 HD2 ARG 39 HD2 ARG 39 100.584 -3.930 -11.565 307 HD3 ARG 39 HD1 ARG 39 101.420 -3.231 -12.949 308 HE ARG 39 HE ARG 39 103.294 -4.782 -11.593 309 HH11 ARG 39 HH11 ARG 39 103.796 -6.827 -12.467 310 HH12 ARG 39 HH12 ARG 39 102.573 -7.726 -13.302 311 HH21 ARG 39 HH21 ARG 39 100.174 -5.242 -13.000 312 HH22 ARG 39 HH22 ARG 39 100.522 -6.828 -13.604 313 H PHE 40 HN PHE 40 101.866 -0.614 -6.869 314 HA PHE 40 HA PHE 40 102.081 -2.711 -4.774 315 HB2 PHE 40 HB2 PHE 40 102.580 0.262 -4.616 316 HB3 PHE 40 HB1 PHE 40 102.275 -0.713 -3.189 317 HD1 PHE 40 HD1 PHE 40 104.539 -0.152 -6.062 318 HD2 PHE 40 HD2 PHE 40 103.997 -2.111 -2.280 319 HE1 PHE 40 HE1 PHE 40 106.952 -0.706 -6.005 320 HE2 PHE 40 HE2 PHE 40 106.404 -2.665 -2.220 321 HZ PHE 40 HZ PHE 40 107.888 -1.960 -4.094 322 H ARG 41 HN ARG 41 100.266 -2.760 -3.330 323 HA ARG 41 HA ARG 41 98.001 -0.991 -4.032 324 HB2 ARG 41 HB2 ARG 41 96.479 -2.853 -4.176 325 HB3 ARG 41 HB1 ARG 41 97.808 -3.132 -5.300 326 HG2 ARG 41 HG2 ARG 41 98.910 -4.556 -3.543 327 HG3 ARG 41 HG1 ARG 41 97.457 -4.380 -2.556 328 HD2 ARG 41 HD2 ARG 41 96.125 -5.303 -4.482 329 HD3 ARG 41 HD1 ARG 41 97.644 -5.628 -5.310 330 HE ARG 41 HE ARG 41 96.536 -7.111 -3.084 331 HH11 ARG 41 HH11 ARG 41 98.101 -8.165 -5.529 332 HH12 ARG 41 HH12 ARG 41 99.548 -8.734 -4.766 333 HH21 ARG 41 HH21 ARG 41 98.962 -7.037 -1.799 334 HH22 ARG 41 HH22 ARG 41 100.036 -8.094 -2.654 335 H CYS 42 HN CYS 42 96.378 -0.834 -2.446 336 HA CYS 42 HA CYS 42 96.916 -1.968 0.196 337 HB2 CYS 42 HB2 CYS 42 96.913 0.993 -0.407 338 HB3 CYS 42 HB1 CYS 42 96.639 0.348 1.207 339 HG CYS 42 HG CYS 42 99.323 0.241 -0.339 340 H ARG 43 HN ARG 43 95.051 -2.883 0.645 341 HA ARG 43 HA ARG 43 92.525 -1.379 0.161 342 HB2 ARG 43 HB2 ARG 43 92.999 -4.364 -0.035 343 HB3 ARG 43 HB1 ARG 43 91.404 -3.627 0.015 344 HG2 ARG 43 HG2 ARG 43 91.912 -2.346 -2.019 345 HG3 ARG 43 HG1 ARG 43 93.536 -3.038 -2.059 346 HD2 ARG 43 HD2 ARG 43 92.073 -4.279 -3.589 347 HD3 ARG 43 HD1 ARG 43 92.544 -5.310 -2.239 348 HE ARG 43 HE ARG 43 90.104 -3.989 -1.637 349 HH11 ARG 43 HH11 ARG 43 91.548 -6.692 -3.217 350 HH12 ARG 43 HH12 ARG 43 90.050 -7.523 -3.478 351 HH21 ARG 43 HH21 ARG 43 88.104 -4.979 -2.146 352 HH22 ARG 43 HH22 ARG 43 88.102 -6.553 -2.870 353 H VAL 44 HN VAL 44 90.715 -2.187 1.800 354 HA VAL 44 HA VAL 44 91.730 -3.279 4.264 355 HB VAL 44 HB VAL 44 90.643 -1.155 5.434 356 HG11 VAL 44 HG11 VAL 44 93.393 -0.918 4.200 357 HG12 VAL 44 HG12 VAL 44 93.018 -1.883 5.627 358 HG13 VAL 44 HG13 VAL 44 92.812 -0.139 5.665 359 HG21 VAL 44 HG21 VAL 44 90.714 0.865 4.241 360 HG22 VAL 44 HG22 VAL 44 90.092 -0.261 3.036 361 HG23 VAL 44 HG23 VAL 44 91.787 0.219 3.002 362 H THR 45 HN THR 45 90.020 -4.910 3.979 363 HA THR 45 HA THR 45 87.296 -3.804 3.645 364 HB THR 45 HB THR 45 87.600 -5.394 1.984 365 HG1 THR 45 HG1 THR 45 86.009 -5.956 3.889 366 HG21 THR 45 HG21 THR 45 89.303 -6.811 4.028 367 HG22 THR 45 HG22 THR 45 89.727 -6.287 2.397 368 HG23 THR 45 HG23 THR 45 88.671 -7.679 2.630 369 H GLY 46 HN GLY 46 86.097 -3.578 5.346 370 HA2 GLY 46 HA2 GLY 46 85.813 -5.706 7.301 371 HA3 GLY 46 HA1 GLY 46 86.450 -4.187 7.937 372 H TYR 47 HN TYR 47 85.226 -2.225 7.365 373 HA TYR 47 HA TYR 47 82.309 -2.694 7.204 374 HB2 TYR 47 HB2 TYR 47 82.893 -2.106 9.497 375 HB3 TYR 47 HB1 TYR 47 83.794 -0.698 8.932 376 HD1 TYR 47 HD1 TYR 47 80.432 -2.180 9.314 377 HD2 TYR 47 HD2 TYR 47 82.676 1.293 8.160 378 HE1 TYR 47 HE1 TYR 47 78.343 -0.840 9.303 379 HE2 TYR 47 HE2 TYR 47 80.589 2.639 8.148 380 HH TYR 47 HH TYR 47 77.525 1.266 8.166 381 HA PRO 48 HA PRO 48 82.816 -0.004 3.654 382 HB2 PRO 48 HB2 PRO 48 80.129 1.082 3.862 383 HB3 PRO 48 HB1 PRO 48 80.754 -0.087 2.692 384 HG2 PRO 48 HG2 PRO 48 79.022 -0.569 4.923 385 HG3 PRO 48 HG1 PRO 48 79.626 -1.730 3.737 386 HD2 PRO 48 HD2 PRO 48 80.388 -1.519 6.494 387 HD3 PRO 48 HD1 PRO 48 81.059 -2.614 5.271 388 H GLN 49 HN GLN 49 83.452 2.091 3.332 389 HA GLN 49 HA GLN 49 83.918 4.273 3.717 390 HB2 GLN 49 HB2 GLN 49 81.370 4.280 4.267 391 HB3 GLN 49 HB1 GLN 49 81.892 4.358 5.947 392 HG2 GLN 49 HG2 GLN 49 82.769 6.298 3.784 393 HG3 GLN 49 HG1 GLN 49 81.482 6.612 4.944 394 HE21 GLN 49 HE21 GLN 49 82.082 7.107 7.138 395 HE22 GLN 49 HE22 GLN 49 83.696 7.350 7.604 396 HA PRO 50 HA PRO 50 86.261 3.069 7.544 397 HB2 PRO 50 HB2 PRO 50 88.637 2.537 5.947 398 HB3 PRO 50 HB1 PRO 50 87.659 1.376 6.860 399 HG2 PRO 50 HG2 PRO 50 87.823 1.400 4.126 400 HG3 PRO 50 HG1 PRO 50 86.428 0.773 5.025 401 HD2 PRO 50 HD2 PRO 50 86.761 3.494 3.749 402 HD3 PRO 50 HD1 PRO 50 85.378 2.378 3.676 403 H LYS 51 HN LYS 51 88.058 4.232 8.524 404 HA LYS 51 HA LYS 51 88.725 6.796 7.177 405 HB2 LYS 51 HB2 LYS 51 87.605 6.909 9.449 406 HB3 LYS 51 HB1 LYS 51 89.019 6.089 10.112 407 HG2 LYS 51 HG2 LYS 51 90.477 7.893 9.369 408 HG3 LYS 51 HG1 LYS 51 89.131 8.685 8.554 409 HD2 LYS 51 HD2 LYS 51 89.342 9.846 10.610 410 HD3 LYS 51 HD1 LYS 51 87.983 8.754 10.852 411 HE2 LYS 51 HE2 LYS 51 89.335 7.215 12.111 412 HE3 LYS 51 HE1 LYS 51 90.820 8.051 11.658 413 HZ1 LYS 51 HZ1 LYS 51 88.931 8.662 13.731 414 HZ2 LYS 51 HZ2 LYS 51 89.324 10.008 12.771 415 HZ3 LYS 51 HZ3 LYS 51 90.549 9.138 13.565 416 H VAL 52 HN VAL 52 90.763 6.806 6.295 417 HA VAL 52 HA VAL 52 92.922 5.459 7.739 418 HB VAL 52 HB VAL 52 93.641 4.079 5.948 419 HG11 VAL 52 HG11 VAL 52 91.719 3.223 7.302 420 HG12 VAL 52 HG12 VAL 52 91.780 2.546 5.677 421 HG13 VAL 52 HG13 VAL 52 90.624 3.819 6.055 422 HG21 VAL 52 HG21 VAL 52 91.725 5.730 4.329 423 HG22 VAL 52 HG22 VAL 52 92.035 4.072 3.820 424 HG23 VAL 52 HG23 VAL 52 93.369 5.215 3.947 425 H ASN 53 HN ASN 53 95.011 5.840 6.801 426 HA ASN 53 HA ASN 53 95.351 8.045 4.943 427 HB2 ASN 53 HB2 ASN 53 96.283 8.202 7.825 428 HB3 ASN 53 HB1 ASN 53 96.826 9.281 6.541 429 HD21 ASN 53 HD21 ASN 53 94.874 9.430 9.087 430 HD22 ASN 53 HD22 ASN 53 93.600 10.368 8.475 431 H TRP 54 HN TRP 54 97.367 7.846 3.898 432 HA TRP 54 HA TRP 54 99.074 5.596 4.866 433 HB2 TRP 54 HB2 TRP 54 98.982 6.491 1.995 434 HB3 TRP 54 HB1 TRP 54 99.499 4.945 2.664 435 HD1 TRP 54 HD1 TRP 54 96.701 6.559 1.065 436 HE1 TRP 54 HE1 TRP 54 94.560 5.126 1.140 437 HE3 TRP 54 HE3 TRP 54 98.093 3.207 4.610 438 HZ2 TRP 54 HZ2 TRP 54 93.579 2.855 2.577 439 HZ3 TRP 54 HZ3 TRP 54 96.531 1.429 5.337 440 HH2 TRP 54 HH2 TRP 54 94.280 1.246 4.326 441 H TYR 55 HN TYR 55 101.317 5.883 4.767 442 HA TYR 55 HA TYR 55 102.174 8.707 4.484 443 HB2 TYR 55 HB2 TYR 55 103.139 6.483 6.270 444 HB3 TYR 55 HB1 TYR 55 104.053 7.967 6.023 445 HD1 TYR 55 HD1 TYR 55 100.559 6.851 6.847 446 HD2 TYR 55 HD2 TYR 55 103.660 9.754 7.489 447 HE1 TYR 55 HE1 TYR 55 99.154 7.975 8.552 448 HE2 TYR 55 HE2 TYR 55 102.254 10.880 9.192 449 HH TYR 55 HH TYR 55 99.201 10.688 9.471 450 H LEU 56 HN LEU 56 103.010 8.857 2.442 451 HA LEU 56 HA LEU 56 104.655 6.708 1.346 452 HB2 LEU 56 HB2 LEU 56 103.679 9.379 0.339 453 HB3 LEU 56 HB1 LEU 56 104.985 8.539 -0.498 454 HG LEU 56 HG LEU 56 103.514 6.523 -0.675 455 HD11 LEU 56 HD11 LEU 56 101.598 8.390 0.725 456 HD12 LEU 56 HD12 LEU 56 101.950 6.699 1.072 457 HD13 LEU 56 HD13 LEU 56 100.987 7.124 -0.335 458 HD21 LEU 56 HD21 LEU 56 103.677 8.482 -2.400 459 HD22 LEU 56 HD22 LEU 56 102.055 8.889 -1.847 460 HD23 LEU 56 HD23 LEU 56 102.371 7.313 -2.571 461 H ASN 57 HN ASN 57 106.889 6.652 1.433 462 HA ASN 57 HA ASN 57 108.959 7.188 2.158 463 HB2 ASN 57 HB2 ASN 57 108.874 8.609 0.192 464 HB3 ASN 57 HB1 ASN 57 108.070 9.879 1.114 465 HD21 ASN 57 HD21 ASN 57 110.648 7.960 2.582 466 HD22 ASN 57 HD22 ASN 57 111.798 9.209 2.609 467 H GLY 58 HN GLY 58 106.354 8.075 3.854 468 HA2 GLY 58 HA2 GLY 58 106.518 8.330 6.250 469 HA3 GLY 58 HA1 GLY 58 107.967 9.302 6.017 470 H GLN 59 HN GLN 59 105.417 9.936 3.805 471 HA GLN 59 HA GLN 59 104.608 12.371 5.311 472 HB2 GLN 59 HB2 GLN 59 105.993 12.912 3.346 473 HB3 GLN 59 HB1 GLN 59 104.895 11.995 2.315 474 HG2 GLN 59 HG2 GLN 59 103.059 13.513 2.846 475 HG3 GLN 59 HG1 GLN 59 104.075 14.383 3.993 476 HE21 GLN 59 HE21 GLN 59 104.828 16.302 3.106 477 HE22 GLN 59 HE22 GLN 59 105.237 16.532 1.475 478 H LEU 60 HN LEU 60 102.490 12.454 5.815 479 HA LEU 60 HA LEU 60 100.662 10.439 4.990 480 HB2 LEU 60 HB2 LEU 60 99.088 11.503 6.408 481 HB3 LEU 60 HB1 LEU 60 100.647 11.707 7.190 482 HG LEU 60 HG LEU 60 99.227 13.812 5.510 483 HD11 LEU 60 HD11 LEU 60 98.142 13.560 7.650 484 HD12 LEU 60 HD12 LEU 60 99.151 15.005 7.724 485 HD13 LEU 60 HD13 LEU 60 99.693 13.509 8.485 486 HD21 LEU 60 HD21 LEU 60 101.577 14.159 5.238 487 HD22 LEU 60 HD22 LEU 60 101.907 13.736 6.917 488 HD23 LEU 60 HD23 LEU 60 101.099 15.256 6.533 489 H ILE 61 HN ILE 61 98.713 10.655 3.782 490 HA ILE 61 HA ILE 61 97.273 11.501 2.264 491 HB ILE 61 HB ILE 61 98.218 13.838 3.294 492 HG12 ILE 61 HG12 ILE 61 95.891 13.362 2.807 493 HG13 ILE 61 HG11 ILE 61 96.330 14.896 2.064 494 HG21 ILE 61 HG21 ILE 61 98.541 14.068 0.296 495 HG22 ILE 61 HG22 ILE 61 99.865 14.146 1.454 496 HG23 ILE 61 HG23 ILE 61 98.629 15.389 1.455 497 HD11 ILE 61 HD11 ILE 61 96.908 13.121 0.025 498 HD12 ILE 61 HD12 ILE 61 95.393 14.001 0.188 499 HD13 ILE 61 HD13 ILE 61 95.516 12.349 0.791 500 H ARG 62 HN ARG 62 97.300 10.364 0.560 501 HA ARG 62 HA ARG 62 99.644 10.162 -1.143 502 HB2 ARG 62 HB2 ARG 62 98.391 8.120 -0.798 503 HB3 ARG 62 HB1 ARG 62 96.886 8.904 -1.257 504 HG2 ARG 62 HG2 ARG 62 97.690 7.520 -3.111 505 HG3 ARG 62 HG1 ARG 62 97.792 9.213 -3.577 506 HD2 ARG 62 HD2 ARG 62 100.163 9.259 -3.142 507 HD3 ARG 62 HD1 ARG 62 100.106 7.662 -2.412 508 HE ARG 62 HE ARG 62 99.176 7.416 -5.037 509 HH11 ARG 62 HH11 ARG 62 101.027 5.564 -5.118 510 HH12 ARG 62 HH12 ARG 62 102.553 6.241 -5.571 511 HH21 ARG 62 HH21 ARG 62 101.615 9.502 -4.867 512 HH22 ARG 62 HH22 ARG 62 102.884 8.466 -5.429 513 H LYS 63 HN LYS 63 99.748 10.988 -3.254 514 HA LYS 63 HA LYS 63 98.277 13.389 -3.733 515 HB2 LYS 63 HB2 LYS 63 100.383 11.812 -5.166 516 HB3 LYS 63 HB1 LYS 63 99.506 13.046 -6.070 517 HG2 LYS 63 HG2 LYS 63 101.540 14.006 -5.085 518 HG3 LYS 63 HG1 LYS 63 100.113 14.719 -4.332 519 HD2 LYS 63 HD2 LYS 63 100.340 13.203 -2.412 520 HD3 LYS 63 HD1 LYS 63 101.725 12.421 -3.177 521 HE2 LYS 63 HE2 LYS 63 102.952 14.558 -3.132 522 HE3 LYS 63 HE1 LYS 63 101.566 15.339 -2.370 523 HZ1 LYS 63 HZ1 LYS 63 102.122 14.516 -0.396 524 HZ2 LYS 63 HZ2 LYS 63 103.619 14.097 -1.079 525 HZ3 LYS 63 HZ3 LYS 63 102.364 12.954 -1.008 526 H SER 64 HN SER 64 96.596 13.808 -5.122 527 HA SER 64 HA SER 64 94.884 11.637 -5.783 528 HB2 SER 64 HB2 SER 64 94.030 13.816 -5.060 529 HB3 SER 64 HB1 SER 64 94.675 14.554 -6.522 530 HG SER 64 HG SER 64 93.057 12.303 -6.812 531 H LYS 65 HN LYS 65 93.960 13.226 -8.199 532 HA LYS 65 HA LYS 65 94.173 11.745 -10.280 533 HB2 LYS 65 HB2 LYS 65 94.873 14.676 -10.328 534 HB3 LYS 65 HB1 LYS 65 94.478 13.727 -11.764 535 HG2 LYS 65 HG2 LYS 65 92.295 13.141 -10.815 536 HG3 LYS 65 HG1 LYS 65 92.679 14.028 -9.339 537 HD2 LYS 65 HD2 LYS 65 92.900 16.113 -10.673 538 HD3 LYS 65 HD1 LYS 65 92.444 15.213 -12.120 539 HE2 LYS 65 HE2 LYS 65 90.278 14.657 -11.133 540 HE3 LYS 65 HE1 LYS 65 90.723 15.474 -9.635 541 HZ1 LYS 65 HZ1 LYS 65 91.052 17.513 -11.038 542 HZ2 LYS 65 HZ2 LYS 65 89.444 16.995 -10.868 543 HZ3 LYS 65 HZ3 LYS 65 90.290 16.680 -12.307 544 H ARG 66 HN ARG 66 97.156 13.416 -9.185 545 HA ARG 66 HA ARG 66 98.706 12.683 -11.454 546 HB2 ARG 66 HB2 ARG 66 99.498 13.236 -8.584 547 HB3 ARG 66 HB1 ARG 66 100.665 12.959 -9.878 548 HG2 ARG 66 HG2 ARG 66 99.685 14.858 -11.143 549 HG3 ARG 66 HG1 ARG 66 98.573 15.154 -9.806 550 HD2 ARG 66 HD2 ARG 66 101.589 15.168 -9.539 551 HD3 ARG 66 HD1 ARG 66 100.614 16.617 -9.760 552 HE ARG 66 HE ARG 66 100.804 14.997 -7.341 553 HH11 ARG 66 HH11 ARG 66 100.033 16.102 -5.501 554 HH12 ARG 66 HH12 ARG 66 98.868 17.371 -5.694 555 HH21 ARG 66 HH21 ARG 66 98.898 17.230 -9.160 556 HH22 ARG 66 HH22 ARG 66 98.225 18.011 -7.767 557 H PHE 67 HN PHE 67 97.991 11.133 -8.416 558 HA PHE 67 HA PHE 67 99.087 8.558 -9.391 559 HB2 PHE 67 HB2 PHE 67 99.075 9.773 -6.619 560 HB3 PHE 67 HB1 PHE 67 99.314 8.048 -6.893 561 HD1 PHE 67 HD1 PHE 67 100.736 11.420 -7.425 562 HD2 PHE 67 HD2 PHE 67 101.332 7.196 -7.918 563 HE1 PHE 67 HE1 PHE 67 103.132 11.818 -7.929 564 HE2 PHE 67 HE2 PHE 67 103.728 7.593 -8.426 565 HZ PHE 67 HZ PHE 67 104.628 9.905 -8.430 566 H ARG 68 HN ARG 68 97.793 6.713 -8.952 567 HA ARG 68 HA ARG 68 94.981 7.232 -8.911 568 HB2 ARG 68 HB2 ARG 68 96.165 5.317 -10.111 569 HB3 ARG 68 HB1 ARG 68 96.315 4.548 -8.533 570 HG2 ARG 68 HG2 ARG 68 94.309 3.616 -9.263 571 HG3 ARG 68 HG1 ARG 68 93.705 5.022 -8.389 572 HD2 ARG 68 HD2 ARG 68 93.693 6.288 -10.561 573 HD3 ARG 68 HD1 ARG 68 94.151 4.801 -11.382 574 HE ARG 68 HE ARG 68 91.545 5.417 -10.204 575 HH11 ARG 68 HH11 ARG 68 91.751 2.710 -9.341 576 HH12 ARG 68 HH12 ARG 68 91.352 1.754 -10.728 577 HH21 ARG 68 HH21 ARG 68 91.857 4.340 -12.983 578 HH22 ARG 68 HH22 ARG 68 91.414 2.677 -12.791 579 H VAL 69 HN VAL 69 93.736 7.585 -7.178 580 HA VAL 69 HA VAL 69 94.039 5.948 -4.811 581 HB VAL 69 HB VAL 69 95.647 7.895 -4.469 582 HG11 VAL 69 HG11 VAL 69 93.115 9.480 -4.007 583 HG12 VAL 69 HG12 VAL 69 93.980 9.530 -5.542 584 HG13 VAL 69 HG13 VAL 69 94.777 10.068 -4.061 585 HG21 VAL 69 HG21 VAL 69 93.308 7.355 -2.627 586 HG22 VAL 69 HG22 VAL 69 94.663 8.378 -2.143 587 HG23 VAL 69 HG23 VAL 69 94.937 6.681 -2.539 588 H ARG 70 HN ARG 70 92.143 5.740 -3.696 589 HA ARG 70 HA ARG 70 89.907 7.559 -4.328 590 HB2 ARG 70 HB2 ARG 70 89.706 5.546 -5.786 591 HB3 ARG 70 HB1 ARG 70 89.711 4.534 -4.344 592 HG2 ARG 70 HG2 ARG 70 87.674 5.608 -3.531 593 HG3 ARG 70 HG1 ARG 70 87.696 6.729 -4.893 594 HD2 ARG 70 HD2 ARG 70 87.522 3.720 -5.181 595 HD3 ARG 70 HD1 ARG 70 86.129 4.799 -5.218 596 HE ARG 70 HE ARG 70 87.962 5.758 -7.097 597 HH11 ARG 70 HH11 ARG 70 87.672 5.260 -9.290 598 HH12 ARG 70 HH12 ARG 70 86.775 3.850 -9.743 599 HH21 ARG 70 HH21 ARG 70 86.086 2.919 -6.473 600 HH22 ARG 70 HH22 ARG 70 85.876 2.522 -8.145 601 H TYR 71 HN TYR 71 89.672 8.460 -2.356 602 HA TYR 71 HA TYR 71 90.260 7.058 0.046 603 HB2 TYR 71 HB2 TYR 71 88.551 9.541 -0.168 604 HB3 TYR 71 HB1 TYR 71 89.585 9.046 1.174 605 HD1 TYR 71 HD1 TYR 71 92.009 9.364 1.086 606 HD2 TYR 71 HD2 TYR 71 89.516 10.405 -2.257 607 HE1 TYR 71 HE1 TYR 71 93.899 10.588 0.059 608 HE2 TYR 71 HE2 TYR 71 91.411 11.630 -3.282 609 HH TYR 71 HH TYR 71 93.499 12.700 -2.586 610 H ASP 72 HN ASP 72 89.031 5.165 -0.018 611 HA ASP 72 HA ASP 72 86.532 5.294 1.294 612 HB2 ASP 72 HB2 ASP 72 85.846 5.929 -1.040 613 HB3 ASP 72 HB1 ASP 72 86.433 4.359 -1.584 614 H GLY 73 HN GLY 73 89.189 4.092 1.392 615 HA2 GLY 73 HA2 GLY 73 89.766 2.056 2.477 616 HA3 GLY 73 HA1 GLY 73 88.410 1.262 1.681 617 H ILE 74 HN ILE 74 89.241 2.752 -0.839 618 HA ILE 74 HA ILE 74 91.220 0.768 -1.762 619 HB ILE 74 HB ILE 74 89.264 2.537 -3.245 620 HG12 ILE 74 HG12 ILE 74 88.435 0.070 -3.847 621 HG13 ILE 74 HG11 ILE 74 89.248 -0.347 -2.343 622 HG21 ILE 74 HG21 ILE 74 89.934 1.032 -5.188 623 HG22 ILE 74 HG22 ILE 74 91.309 0.535 -4.202 624 HG23 ILE 74 HG23 ILE 74 91.131 2.224 -4.675 625 HD11 ILE 74 HD11 ILE 74 87.198 1.882 -2.518 626 HD12 ILE 74 HD12 ILE 74 87.823 1.099 -1.069 627 HD13 ILE 74 HD13 ILE 74 86.765 0.212 -2.158 628 H HIS 75 HN HIS 75 93.243 1.547 -1.635 629 HA HIS 75 HA HIS 75 93.823 4.159 -2.897 630 HB2 HIS 75 HB2 HIS 75 94.152 4.923 -0.762 631 HB3 HIS 75 HB1 HIS 75 94.246 3.298 -0.101 632 HD1 HIS 75 HD1 HIS 75 96.420 2.998 1.008 633 HD2 HIS 75 HD2 HIS 75 96.809 5.252 -2.477 634 HE1 HIS 75 HE1 HIS 75 98.879 3.533 0.776 635 H TYR 76 HN TYR 76 94.868 3.510 -4.713 636 HA TYR 76 HA TYR 76 96.766 1.267 -4.574 637 HB2 TYR 76 HB2 TYR 76 95.682 2.835 -6.921 638 HB3 TYR 76 HB1 TYR 76 96.826 1.502 -7.052 639 HD1 TYR 76 HD1 TYR 76 93.384 2.366 -6.987 640 HD2 TYR 76 HD2 TYR 76 96.123 -0.735 -5.829 641 HE1 TYR 76 HE1 TYR 76 91.518 0.742 -6.916 642 HE2 TYR 76 HE2 TYR 76 94.251 -2.357 -5.754 643 HH TYR 76 HH TYR 76 91.914 -2.514 -6.914 644 H LEU 77 HN LEU 77 98.861 1.487 -4.460 645 HA LEU 77 HA LEU 77 100.148 4.095 -4.794 646 HB2 LEU 77 HB2 LEU 77 101.054 1.493 -3.566 647 HB3 LEU 77 HB1 LEU 77 102.112 2.888 -3.753 648 HG LEU 77 HG LEU 77 99.493 2.861 -2.221 649 HD11 LEU 77 HD11 LEU 77 102.334 2.924 -1.162 650 HD12 LEU 77 HD12 LEU 77 101.347 1.465 -1.240 651 HD13 LEU 77 HD13 LEU 77 100.851 2.808 -0.213 652 HD21 LEU 77 HD21 LEU 77 99.802 5.115 -2.778 653 HD22 LEU 77 HD22 LEU 77 101.560 4.970 -2.825 654 HD23 LEU 77 HD23 LEU 77 100.717 5.020 -1.279 655 H ASP 78 HN ASP 78 100.037 4.051 -7.212 656 HA ASP 78 HA ASP 78 101.803 1.986 -8.433 657 HB2 ASP 78 HB2 ASP 78 99.430 2.250 -9.257 658 HB3 ASP 78 HB1 ASP 78 99.919 3.818 -9.890 659 H ILE 79 HN ILE 79 103.718 2.516 -9.246 660 HA ILE 79 HA ILE 79 104.340 5.384 -9.714 661 HB ILE 79 HB ILE 79 106.765 4.593 -9.570 662 HG12 ILE 79 HG12 ILE 79 105.473 2.257 -8.146 663 HG13 ILE 79 HG11 ILE 79 106.199 2.160 -9.750 664 HG21 ILE 79 HG21 ILE 79 105.637 5.900 -7.801 665 HG22 ILE 79 HG22 ILE 79 106.768 4.731 -7.118 666 HG23 ILE 79 HG23 ILE 79 105.035 4.404 -7.087 667 HD11 ILE 79 HD11 ILE 79 108.267 1.967 -8.859 668 HD12 ILE 79 HD12 ILE 79 107.530 1.892 -7.262 669 HD13 ILE 79 HD13 ILE 79 108.058 3.438 -7.911 670 H VAL 80 HN VAL 80 105.919 5.746 -11.559 671 HA VAL 80 HA VAL 80 105.678 3.697 -13.663 672 HB VAL 80 HB VAL 80 104.962 5.348 -15.292 673 HG11 VAL 80 HG11 VAL 80 102.700 5.612 -14.531 674 HG12 VAL 80 HG12 VAL 80 103.204 5.611 -12.841 675 HG13 VAL 80 HG13 VAL 80 103.304 4.128 -13.788 676 HG21 VAL 80 HG21 VAL 80 105.061 7.249 -12.928 677 HG22 VAL 80 HG22 VAL 80 104.281 7.632 -14.462 678 HG23 VAL 80 HG23 VAL 80 106.021 7.347 -14.409 679 H ASP 81 HN ASP 81 106.990 4.556 -15.655 680 HA ASP 81 HA ASP 81 109.686 4.847 -14.781 681 HB2 ASP 81 HB2 ASP 81 108.934 3.675 -16.880 682 HB3 ASP 81 HB1 ASP 81 108.612 5.262 -17.573 683 H CYS 82 HN CYS 82 108.721 6.897 -13.533 684 HA CYS 82 HA CYS 82 109.272 9.319 -15.152 685 HB2 CYS 82 HB2 CYS 82 107.415 8.741 -12.879 686 HB3 CYS 82 HB1 CYS 82 108.124 10.353 -12.963 687 HG CYS 82 HG CYS 82 107.041 10.674 -15.307 688 H LYS 83 HN LYS 83 109.199 9.051 -11.681 689 HA LYS 83 HA LYS 83 112.144 9.323 -11.527 690 HB2 LYS 83 HB2 LYS 83 111.890 10.912 -9.697 691 HB3 LYS 83 HB1 LYS 83 111.080 11.537 -11.133 692 HG2 LYS 83 HG2 LYS 83 108.924 10.590 -10.239 693 HG3 LYS 83 HG1 LYS 83 109.776 10.186 -8.752 694 HD2 LYS 83 HD2 LYS 83 109.695 12.988 -9.892 695 HD3 LYS 83 HD1 LYS 83 108.533 12.399 -8.707 696 HE2 LYS 83 HE2 LYS 83 110.563 11.775 -7.259 697 HE3 LYS 83 HE1 LYS 83 111.514 12.762 -8.368 698 HZ1 LYS 83 HZ1 LYS 83 109.694 14.507 -7.923 699 HZ2 LYS 83 HZ2 LYS 83 110.907 14.261 -6.757 700 HZ3 LYS 83 HZ3 LYS 83 109.365 13.586 -6.537 701 H SER 84 HN SER 84 113.039 7.862 -10.183 702 HA SER 84 HA SER 84 111.360 6.645 -8.091 703 HB2 SER 84 HB2 SER 84 111.357 4.563 -9.019 704 HB3 SER 84 HB1 SER 84 111.687 5.419 -10.520 705 HG SER 84 HG SER 84 113.991 5.241 -9.707 706 H TYR 85 HN TYR 85 114.564 7.113 -9.483 707 HA TYR 85 HA TYR 85 116.192 5.828 -7.670 708 HB2 TYR 85 HB2 TYR 85 117.958 7.060 -8.570 709 HB3 TYR 85 HB1 TYR 85 116.751 7.061 -9.851 710 HD1 TYR 85 HD1 TYR 85 119.098 9.097 -8.540 711 HD2 TYR 85 HD2 TYR 85 114.844 9.112 -9.174 712 HE1 TYR 85 HE1 TYR 85 119.101 11.575 -8.542 713 HE2 TYR 85 HE2 TYR 85 114.858 11.589 -9.177 714 HH TYR 85 HH TYR 85 117.897 13.410 -8.878 715 H ASP 86 HN ASP 86 114.635 6.354 -5.724 716 HA ASP 86 HA ASP 86 116.129 8.100 -3.971 717 HB2 ASP 86 HB2 ASP 86 114.462 9.595 -5.151 718 HB3 ASP 86 HB1 ASP 86 113.185 8.652 -4.384 719 H THR 87 HN THR 87 116.368 6.866 -2.182 720 HA THR 87 HA THR 87 114.437 4.783 -1.552 721 HB THR 87 HB THR 87 116.015 4.069 0.108 722 HG1 THR 87 HG1 THR 87 116.457 6.590 0.408 723 HG21 THR 87 HG21 THR 87 116.609 3.828 -2.371 724 HG22 THR 87 HG22 THR 87 117.942 3.675 -1.229 725 HG23 THR 87 HG23 THR 87 117.721 5.176 -2.125 726 H GLY 88 HN GLY 88 112.834 4.914 -0.024 727 HA2 GLY 88 HA2 GLY 88 112.955 7.058 2.001 728 HA3 GLY 88 HA1 GLY 88 111.541 6.933 0.963 729 H GLU 89 HN GLU 89 110.364 6.665 2.990 730 HA GLU 89 HA GLU 89 110.316 3.828 3.856 731 HB2 GLU 89 HB2 GLU 89 110.101 6.242 5.671 732 HB3 GLU 89 HB1 GLU 89 109.924 4.556 6.165 733 HG2 GLU 89 HG2 GLU 89 112.218 4.084 5.451 734 HG3 GLU 89 HG1 GLU 89 112.399 5.746 4.893 735 H VAL 90 HN VAL 90 108.312 2.966 3.754 736 HA VAL 90 HA VAL 90 106.000 4.802 3.637 737 HB VAL 90 HB VAL 90 104.937 3.163 2.211 738 HG11 VAL 90 HG11 VAL 90 106.332 3.460 0.216 739 HG12 VAL 90 HG12 VAL 90 107.715 3.854 1.236 740 HG13 VAL 90 HG13 VAL 90 106.320 4.933 1.182 741 HG21 VAL 90 HG21 VAL 90 105.852 1.107 2.964 742 HG22 VAL 90 HG22 VAL 90 107.501 1.643 2.643 743 HG23 VAL 90 HG23 VAL 90 106.409 1.292 1.301 744 H LYS 91 HN LYS 91 104.398 4.436 4.986 745 HA LYS 91 HA LYS 91 104.314 1.940 6.546 746 HB2 LYS 91 HB2 LYS 91 105.302 3.740 7.932 747 HB3 LYS 91 HB1 LYS 91 103.892 4.746 7.614 748 HG2 LYS 91 HG2 LYS 91 102.433 3.124 8.701 749 HG3 LYS 91 HG1 LYS 91 103.790 2.020 8.936 750 HD2 LYS 91 HD2 LYS 91 104.916 3.719 10.343 751 HD3 LYS 91 HD1 LYS 91 103.541 4.801 10.122 752 HE2 LYS 91 HE2 LYS 91 103.320 2.027 11.317 753 HE3 LYS 91 HE1 LYS 91 103.481 3.501 12.274 754 HZ1 LYS 91 HZ1 LYS 91 101.300 2.858 10.365 755 HZ2 LYS 91 HZ2 LYS 91 101.484 4.358 11.143 756 HZ3 LYS 91 HZ3 LYS 91 101.172 2.958 12.054 757 H VAL 92 HN VAL 92 102.483 0.998 6.135 758 HA VAL 92 HA VAL 92 100.268 2.472 4.956 759 HB VAL 92 HB VAL 92 100.740 -0.443 5.617 760 HG11 VAL 92 HG11 VAL 92 98.348 0.072 5.689 761 HG12 VAL 92 HG12 VAL 92 98.722 -0.881 4.258 762 HG13 VAL 92 HG13 VAL 92 98.453 0.856 4.117 763 HG21 VAL 92 HG21 VAL 92 102.141 0.299 3.802 764 HG22 VAL 92 HG22 VAL 92 100.795 1.151 3.044 765 HG23 VAL 92 HG23 VAL 92 100.804 -0.613 3.101 766 H THR 93 HN THR 93 98.732 3.423 6.228 767 HA THR 93 HA THR 93 98.234 2.177 8.905 768 HB THR 93 HB THR 93 98.382 5.112 8.225 769 HG1 THR 93 HG1 THR 93 100.390 4.312 8.524 770 HG21 THR 93 HG21 THR 93 98.066 5.325 10.745 771 HG22 THR 93 HG22 THR 93 97.538 3.642 10.722 772 HG23 THR 93 HG23 THR 93 96.632 4.862 9.828 773 H ALA 94 HN ALA 94 96.274 1.585 9.281 774 HA ALA 94 HA ALA 94 94.020 2.880 7.875 775 HB1 ALA 94 HB1 ALA 94 94.243 -0.017 8.722 776 HB2 ALA 94 HB2 ALA 94 94.505 0.560 7.077 777 HB3 ALA 94 HB3 ALA 94 92.915 0.724 7.828 778 H GLU 95 HN GLU 95 92.100 3.066 9.120 779 HA GLU 95 HA GLU 95 92.235 2.411 11.971 780 HB2 GLU 95 HB2 GLU 95 93.287 4.614 11.833 781 HB3 GLU 95 HB1 GLU 95 91.899 5.239 10.947 782 HG2 GLU 95 HG2 GLU 95 90.442 4.842 12.866 783 HG3 GLU 95 HG1 GLU 95 91.764 4.078 13.748 784 H ASN 96 HN ASN 96 90.469 1.014 11.586 785 HA ASN 96 HA ASN 96 88.050 2.069 10.419 786 HB2 ASN 96 HB2 ASN 96 88.132 -0.475 12.026 787 HB3 ASN 96 HB1 ASN 96 87.209 -0.105 10.568 788 HD21 ASN 96 HD21 ASN 96 88.764 0.407 8.574 789 HD22 ASN 96 HD22 ASN 96 90.081 -0.650 8.403 790 HA PRO 97 HA PRO 97 86.285 3.493 14.189 791 HB2 PRO 97 HB2 PRO 97 83.675 2.234 14.016 792 HB3 PRO 97 HB1 PRO 97 84.119 3.896 13.595 793 HG2 PRO 97 HG2 PRO 97 83.373 1.933 11.778 794 HG3 PRO 97 HG1 PRO 97 84.263 3.412 11.380 795 HD2 PRO 97 HD2 PRO 97 85.292 0.621 11.699 796 HD3 PRO 97 HD1 PRO 97 85.861 1.925 10.637 797 H GLU 98 HN GLU 98 86.221 0.037 13.738 798 HA GLU 98 HA GLU 98 85.747 -0.417 16.612 799 HB2 GLU 98 HB2 GLU 98 85.340 -2.728 15.993 800 HB3 GLU 98 HB1 GLU 98 84.352 -1.658 15.002 801 HG2 GLU 98 HG2 GLU 98 86.021 -1.822 13.175 802 HG3 GLU 98 HG1 GLU 98 86.978 -2.930 14.156 803 H GLY 99 HN GLY 99 88.410 -0.038 14.576 804 HA2 GLY 99 HA2 GLY 99 90.208 -0.985 16.554 805 HA3 GLY 99 HA1 GLY 99 90.096 -2.142 15.232 806 H VAL 100 HN VAL 100 92.472 -1.283 15.484 807 HA VAL 100 HA VAL 100 92.910 0.590 13.257 808 HB VAL 100 HB VAL 100 93.132 2.001 15.216 809 HG11 VAL 100 HG11 VAL 100 95.179 0.034 16.274 810 HG12 VAL 100 HG12 VAL 100 93.496 0.043 16.799 811 HG13 VAL 100 HG13 VAL 100 94.518 1.448 17.097 812 HG21 VAL 100 HG21 VAL 100 95.373 2.785 14.903 813 HG22 VAL 100 HG22 VAL 100 94.882 2.098 13.355 814 HG23 VAL 100 HG23 VAL 100 95.939 1.183 14.429 815 H ILE 101 HN ILE 101 94.616 0.033 11.960 816 HA ILE 101 HA ILE 101 96.426 -2.121 12.875 817 HB ILE 101 HB ILE 101 95.271 -1.943 10.083 818 HG12 ILE 101 HG12 ILE 101 94.570 -3.923 12.279 819 HG13 ILE 101 HG11 ILE 101 93.553 -2.552 11.833 820 HG21 ILE 101 HG21 ILE 101 96.218 -4.363 10.107 821 HG22 ILE 101 HG22 ILE 101 97.113 -3.860 11.534 822 HG23 ILE 101 HG23 ILE 101 97.372 -3.038 9.997 823 HD11 ILE 101 HD11 ILE 101 93.612 -3.461 9.441 824 HD12 ILE 101 HD12 ILE 101 92.694 -4.416 10.603 825 HD13 ILE 101 HD13 ILE 101 94.309 -4.933 10.120 826 H GLU 102 HN GLU 102 98.525 -2.022 12.101 827 HA GLU 102 HA GLU 102 99.281 0.026 10.183 828 HB2 GLU 102 HB2 GLU 102 100.859 1.139 11.703 829 HB3 GLU 102 HB1 GLU 102 99.194 1.329 12.256 830 HG2 GLU 102 HG2 GLU 102 99.526 -0.577 13.816 831 HG3 GLU 102 HG1 GLU 102 101.206 -0.687 13.296 832 H HIS 103 HN HIS 103 101.134 -0.474 9.116 833 HA HIS 103 HA HIS 103 102.863 -2.625 10.189 834 HB2 HIS 103 HB2 HIS 103 101.584 -2.497 7.451 835 HB3 HIS 103 HB1 HIS 103 102.962 -3.532 7.823 836 HD1 HIS 103 HD1 HIS 103 99.472 -3.778 7.564 837 HD2 HIS 103 HD2 HIS 103 102.186 -5.076 10.449 838 HE1 HIS 103 HE1 HIS 103 98.327 -5.642 8.830 839 H LYS 104 HN LYS 104 104.974 -2.181 10.013 840 HA LYS 104 HA LYS 104 105.808 0.245 8.580 841 HB2 LYS 104 HB2 LYS 104 106.511 -0.236 10.966 842 HB3 LYS 104 HB1 LYS 104 107.453 -1.588 10.344 843 HG2 LYS 104 HG2 LYS 104 109.055 0.119 10.413 844 HG3 LYS 104 HG1 LYS 104 108.506 0.210 8.742 845 HD2 LYS 104 HD2 LYS 104 107.016 2.066 9.285 846 HD3 LYS 104 HD1 LYS 104 107.410 1.918 10.997 847 HE2 LYS 104 HE2 LYS 104 109.744 2.493 10.538 848 HE3 LYS 104 HE1 LYS 104 109.405 2.569 8.809 849 HZ1 LYS 104 HZ1 LYS 104 109.077 4.580 10.730 850 HZ2 LYS 104 HZ2 LYS 104 107.539 4.173 10.133 851 HZ3 LYS 104 HZ3 LYS 104 108.768 4.656 9.064 852 H VAL 105 HN VAL 105 106.484 0.097 6.582 853 HA VAL 105 HA VAL 105 108.023 -2.276 5.705 854 HB VAL 105 HB VAL 105 105.700 -0.908 4.336 855 HG11 VAL 105 HG11 VAL 105 106.248 -2.539 2.458 856 HG12 VAL 105 HG12 VAL 105 107.835 -2.721 3.208 857 HG13 VAL 105 HG13 VAL 105 107.308 -1.146 2.624 858 HG21 VAL 105 HG21 VAL 105 106.258 -3.830 4.915 859 HG22 VAL 105 HG22 VAL 105 104.744 -3.130 4.339 860 HG23 VAL 105 HG23 VAL 105 105.311 -2.791 5.975 861 H LYS 106 HN LYS 106 109.849 -1.797 4.537 862 HA LYS 106 HA LYS 106 110.380 1.069 3.986 863 HB2 LYS 106 HB2 LYS 106 111.794 -0.123 5.689 864 HB3 LYS 106 HB1 LYS 106 112.374 -1.164 4.389 865 HG2 LYS 106 HG2 LYS 106 113.207 0.802 3.170 866 HG3 LYS 106 HG1 LYS 106 112.608 1.857 4.452 867 HD2 LYS 106 HD2 LYS 106 114.079 0.732 6.079 868 HD3 LYS 106 HD1 LYS 106 114.680 -0.331 4.806 869 HE2 LYS 106 HE2 LYS 106 116.320 1.333 4.852 870 HE3 LYS 106 HE1 LYS 106 115.255 1.917 3.577 871 HZ1 LYS 106 HZ1 LYS 106 114.895 3.739 4.747 872 HZ2 LYS 106 HZ2 LYS 106 115.946 3.186 5.961 873 HZ3 LYS 106 HZ3 LYS 106 114.288 2.828 6.043 874 H LEU 107 HN LEU 107 110.704 1.711 1.948 875 HA LEU 107 HA LEU 107 111.268 -0.344 -0.135 876 HB2 LEU 107 HB2 LEU 107 109.429 2.032 -0.117 877 HB3 LEU 107 HB1 LEU 107 110.226 1.620 -1.634 878 HG LEU 107 HG LEU 107 109.272 -0.599 -1.620 879 HD11 LEU 107 HD11 LEU 107 108.553 0.128 1.204 880 HD12 LEU 107 HD12 LEU 107 109.272 -1.355 0.582 881 HD13 LEU 107 HD13 LEU 107 107.557 -1.044 0.334 882 HD21 LEU 107 HD21 LEU 107 107.751 1.018 -2.531 883 HD22 LEU 107 HD22 LEU 107 107.291 1.590 -0.929 884 HD23 LEU 107 HD23 LEU 107 106.782 -0.010 -1.469 885 H GLU 108 HN GLU 108 113.245 -0.121 -1.086 886 HA GLU 108 HA GLU 108 114.565 2.537 -0.934 887 HB2 GLU 108 HB2 GLU 108 115.917 -0.158 -1.179 888 HB3 GLU 108 HB1 GLU 108 116.655 1.395 -0.784 889 HG2 GLU 108 HG2 GLU 108 115.311 1.470 1.302 890 HG3 GLU 108 HG1 GLU 108 114.663 -0.124 0.918 891 H ILE 109 HN ILE 109 114.624 3.487 -2.931 892 HA ILE 109 HA ILE 109 114.646 1.699 -5.296 893 HB ILE 109 HB ILE 109 114.057 4.653 -5.147 894 HG12 ILE 109 HG12 ILE 109 112.419 3.040 -3.927 895 HG13 ILE 109 HG11 ILE 109 111.744 4.177 -5.086 896 HG21 ILE 109 HG21 ILE 109 112.910 3.969 -7.403 897 HG22 ILE 109 HG22 ILE 109 113.980 2.579 -7.331 898 HG23 ILE 109 HG23 ILE 109 114.651 4.198 -7.372 899 HD11 ILE 109 HD11 ILE 109 111.274 2.524 -6.649 900 HD12 ILE 109 HD12 ILE 109 111.063 1.611 -5.155 901 HD13 ILE 109 HD13 ILE 109 112.554 1.462 -6.076 902 H GLN 110 HN GLN 110 116.585 1.308 -6.110 903 HA GLN 110 HA GLN 110 118.738 3.290 -5.760 904 HB2 GLN 110 HB2 GLN 110 118.955 0.803 -5.137 905 HB3 GLN 110 HB1 GLN 110 119.050 0.502 -6.869 906 HG2 GLN 110 HG2 GLN 110 121.012 1.949 -7.058 907 HG3 GLN 110 HG1 GLN 110 120.862 2.423 -5.370 908 HE21 GLN 110 HE21 GLN 110 123.225 1.144 -6.467 909 HE22 GLN 110 HE22 GLN 110 123.378 -0.368 -5.711 910 H GLN 111 HN GLN 111 119.759 1.433 -8.221 911 HA GLN 111 HA GLN 111 118.476 2.839 -10.429 912 HB2 GLN 111 HB2 GLN 111 121.428 3.135 -9.825 913 HB3 GLN 111 HB1 GLN 111 120.645 3.651 -11.315 914 HG2 GLN 111 HG2 GLN 111 120.682 5.635 -10.079 915 HG3 GLN 111 HG1 GLN 111 119.077 5.017 -9.720 916 HE21 GLN 111 HE21 GLN 111 118.735 5.606 -7.559 917 HE22 GLN 111 HE22 GLN 111 119.809 5.255 -6.292 918 H LEU 112 HN LEU 112 119.243 2.007 -12.568 919 HA LEU 112 HA LEU 112 119.510 -0.826 -12.538 920 HB2 LEU 112 HB2 LEU 112 119.766 1.244 -14.712 921 HB3 LEU 112 HB1 LEU 112 120.091 -0.458 -15.030 922 HG LEU 112 HG LEU 112 117.523 0.511 -13.750 923 HD11 LEU 112 HD11 LEU 112 117.783 1.525 -15.993 924 HD12 LEU 112 HD12 LEU 112 116.491 0.325 -15.978 925 HD13 LEU 112 HD13 LEU 112 118.060 -0.075 -16.678 926 HD21 LEU 112 HD21 LEU 112 116.832 -1.780 -14.944 927 HD22 LEU 112 HD22 LEU 112 117.584 -1.784 -13.356 928 HD23 LEU 112 HD23 LEU 112 118.555 -2.123 -14.786 929 H GLU 113 HN GLU 113 121.246 -2.147 -12.928 930 HA GLU 113 HA GLU 113 123.732 -1.324 -11.895 931 HB2 GLU 113 HB2 GLU 113 124.528 -3.539 -12.612 932 HB3 GLU 113 HB1 GLU 113 122.965 -3.640 -11.803 933 HG2 GLU 113 HG2 GLU 113 121.872 -3.597 -14.073 934 HG3 GLU 113 HG1 GLU 113 123.479 -3.719 -14.788 935 H HIS 114 HN HIS 114 122.490 -0.297 -14.696 936 HA HIS 114 HA HIS 114 125.132 -0.202 -16.064 937 HB2 HIS 114 HB2 HIS 114 123.509 -1.478 -17.390 938 HB3 HIS 114 HB1 HIS 114 122.369 -0.132 -17.310 939 HD1 HIS 114 HD1 HIS 114 125.843 -0.936 -18.628 940 HD2 HIS 114 HD2 HIS 114 122.809 1.859 -19.218 941 HE1 HIS 114 HE1 HIS 114 126.548 0.475 -20.610 942 H HIS 115 HN HIS 115 125.345 1.690 -14.499 943 HA HIS 115 HA HIS 115 123.892 4.091 -15.419 944 HB2 HIS 115 HB2 HIS 115 125.086 5.134 -13.400 945 HB3 HIS 115 HB1 HIS 115 123.821 3.954 -13.065 946 HD1 HIS 115 HD1 HIS 115 127.481 4.525 -12.759 947 HD2 HIS 115 HD2 HIS 115 124.799 1.389 -12.167 948 HE1 HIS 115 HE1 HIS 115 128.723 2.765 -11.433 949 H HIS 116 HN HIS 116 124.823 5.077 -17.071 950 HA HIS 116 HA HIS 116 127.508 6.077 -16.859 951 HB2 HIS 116 HB2 HIS 116 127.964 3.780 -17.666 952 HB3 HIS 116 HB1 HIS 116 126.911 4.071 -19.051 953 HD1 HIS 116 HD1 HIS 116 127.733 5.766 -20.851 954 HD2 HIS 116 HD2 HIS 116 130.499 5.049 -17.816 955 HE1 HIS 116 HE1 HIS 116 129.929 6.751 -21.638 956 H HIS 117 HN HIS 117 124.926 5.310 -19.192 957 HA HIS 117 HA HIS 117 125.347 7.779 -20.655 958 HB2 HIS 117 HB2 HIS 117 124.656 5.806 -21.889 959 HB3 HIS 117 HB1 HIS 117 123.227 5.625 -20.872 960 HD1 HIS 117 HD1 HIS 117 124.757 8.216 -23.215 961 HD2 HIS 117 HD2 HIS 117 121.016 6.954 -21.880 962 HE1 HIS 117 HE1 HIS 117 123.046 9.535 -24.535 963 H HIS 118 HN HIS 118 124.007 9.590 -20.633 964 HA HIS 118 HA HIS 118 121.741 9.632 -18.743 965 HB2 HIS 118 HB2 HIS 118 122.642 11.813 -17.834 966 HB3 HIS 118 HB1 HIS 118 123.551 10.376 -17.364 967 HD1 HIS 118 HD1 HIS 118 123.710 13.325 -19.726 968 HD2 HIS 118 HD2 HIS 118 126.182 10.265 -18.347 969 HE1 HIS 118 HE1 HIS 118 126.036 13.843 -20.583 970 H HIS 119 HN HIS 119 120.240 11.271 -19.104 971 HA HIS 119 HA HIS 119 118.912 12.570 -20.456 972 HB2 HIS 119 HB2 HIS 119 121.598 13.815 -21.090 973 HB3 HIS 119 HB1 HIS 119 120.025 14.558 -21.385 974 HD1 HIS 119 HD1 HIS 119 118.469 14.732 -19.092 975 HD2 HIS 119 HD2 HIS 119 122.593 14.397 -18.587 976 HE1 HIS 119 HE1 HIS 119 118.968 15.501 -16.728 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 83.273 -28.323 -1.930 2 H2 ARG 1 HT2 ARG 1 82.150 -28.399 -3.201 3 H3 ARG 1 HT3 ARG 1 83.356 -29.588 -3.052 4 HA ARG 1 HA ARG 1 81.844 -29.411 -0.661 5 HB2 ARG 1 HB2 ARG 1 80.374 -29.840 -3.279 6 HB3 ARG 1 HB1 ARG 1 79.755 -30.410 -1.726 7 HG2 ARG 1 HG2 ARG 1 79.727 -28.126 -0.850 8 HG3 ARG 1 HG1 ARG 1 80.461 -27.512 -2.336 9 HD2 ARG 1 HD2 ARG 1 78.503 -28.332 -3.622 10 HD3 ARG 1 HD1 ARG 1 77.770 -28.889 -2.116 11 HE ARG 1 HE ARG 1 78.319 -26.184 -1.746 12 HH11 ARG 1 HH11 ARG 1 76.974 -24.494 -2.573 13 HH12 ARG 1 HH12 ARG 1 75.523 -24.920 -3.420 14 HH21 ARG 1 HH21 ARG 1 76.209 -28.321 -3.405 15 HH22 ARG 1 HH22 ARG 1 75.092 -27.090 -3.887 16 H MET 2 HN MET 2 84.087 -30.676 -1.064 17 HA MET 2 HA MET 2 83.442 -33.507 -1.705 18 HB2 MET 2 HB2 MET 2 86.013 -31.923 -1.891 19 HB3 MET 2 HB1 MET 2 86.006 -33.690 -1.856 20 HG2 MET 2 HG2 MET 2 84.476 -33.695 -3.818 21 HG3 MET 2 HG1 MET 2 84.584 -31.932 -3.878 22 HE1 MET 2 HE1 MET 2 85.515 -31.881 -6.368 23 HE2 MET 2 HE2 MET 2 85.154 -33.602 -6.320 24 HE3 MET 2 HE3 MET 2 86.707 -33.052 -6.945 25 H ALA 3 HN ALA 3 83.713 -35.017 -0.139 26 HA ALA 3 HA ALA 3 84.499 -34.084 2.549 27 HB1 ALA 3 HB1 ALA 3 83.440 -36.129 3.350 28 HB2 ALA 3 HB2 ALA 3 83.192 -36.677 1.696 29 HB3 ALA 3 HB3 ALA 3 82.323 -35.263 2.294 30 H HIS 4 HN HIS 4 86.745 -34.165 1.206 31 HA HIS 4 HA HIS 4 87.957 -36.662 0.781 32 HB2 HIS 4 HB2 HIS 4 88.910 -34.553 -0.058 33 HB3 HIS 4 HB1 HIS 4 89.270 -34.061 1.598 34 HD1 HIS 4 HD1 HIS 4 91.137 -35.383 2.861 35 HD2 HIS 4 HD2 HIS 4 90.641 -36.525 -1.117 36 HE1 HIS 4 HE1 HIS 4 93.162 -36.777 2.258 37 H GLU 5 HN GLU 5 87.853 -34.584 3.657 38 HA GLU 5 HA GLU 5 88.240 -36.891 5.374 39 HB2 GLU 5 HB2 GLU 5 90.563 -36.239 4.746 40 HB3 GLU 5 HB1 GLU 5 90.261 -34.640 5.430 41 HG2 GLU 5 HG2 GLU 5 89.782 -35.663 7.631 42 HG3 GLU 5 HG1 GLU 5 90.075 -37.264 6.952 43 H GLY 6 HN GLY 6 88.993 -33.461 5.934 44 HA2 GLY 6 HA2 GLY 6 87.140 -33.417 8.175 45 HA3 GLY 6 HA1 GLY 6 88.245 -32.127 7.702 46 H ALA 7 HN ALA 7 85.272 -32.276 8.336 47 HA ALA 7 HA ALA 7 83.974 -31.481 5.873 48 HB1 ALA 7 HB1 ALA 7 82.848 -32.684 7.812 49 HB2 ALA 7 HB2 ALA 7 81.999 -31.273 7.186 50 HB3 ALA 7 HB3 ALA 7 82.921 -31.151 8.685 51 H LEU 8 HN LEU 8 83.098 -29.362 5.502 52 HA LEU 8 HA LEU 8 84.968 -27.321 6.150 53 HB2 LEU 8 HB2 LEU 8 83.452 -27.598 4.047 54 HB3 LEU 8 HB1 LEU 8 82.223 -26.808 5.018 55 HG LEU 8 HG LEU 8 83.410 -25.182 3.624 56 HD11 LEU 8 HD11 LEU 8 83.675 -23.531 5.251 57 HD12 LEU 8 HD12 LEU 8 84.363 -24.651 6.426 58 HD13 LEU 8 HD13 LEU 8 82.635 -24.706 6.063 59 HD21 LEU 8 HD21 LEU 8 85.632 -26.640 3.853 60 HD22 LEU 8 HD22 LEU 8 85.959 -25.524 5.181 61 HD23 LEU 8 HD23 LEU 8 85.707 -24.908 3.548 62 H THR 9 HN THR 9 85.058 -26.159 7.933 63 HA THR 9 HA THR 9 83.082 -26.330 9.956 64 HB THR 9 HB THR 9 85.168 -24.152 9.771 65 HG1 THR 9 HG1 THR 9 86.114 -26.172 11.133 66 HG21 THR 9 HG21 THR 9 83.882 -25.694 12.047 67 HG22 THR 9 HG22 THR 9 83.611 -23.997 11.635 68 HG23 THR 9 HG23 THR 9 85.183 -24.515 12.246 69 H GLY 10 HN GLY 10 81.347 -25.133 10.318 70 HA2 GLY 10 HA2 GLY 10 79.721 -23.538 10.107 71 HA3 GLY 10 HA1 GLY 10 80.987 -22.430 9.572 72 H VAL 11 HN VAL 11 78.732 -21.983 8.397 73 HA VAL 11 HA VAL 11 78.816 -23.312 5.739 74 HB VAL 11 HB VAL 11 76.505 -22.129 7.305 75 HG11 VAL 11 HG11 VAL 11 75.176 -22.927 5.259 76 HG12 VAL 11 HG12 VAL 11 76.711 -22.950 4.407 77 HG13 VAL 11 HG13 VAL 11 76.100 -21.442 5.067 78 HG21 VAL 11 HG21 VAL 11 77.142 -24.444 7.884 79 HG22 VAL 11 HG22 VAL 11 77.016 -24.901 6.185 80 HG23 VAL 11 HG23 VAL 11 75.580 -24.396 7.070 81 H THR 12 HN THR 12 79.187 -22.000 4.011 82 HA THR 12 HA THR 12 80.060 -19.326 4.367 83 HB THR 12 HB THR 12 79.153 -20.526 1.747 84 HG1 THR 12 HG1 THR 12 81.683 -20.854 2.966 85 HG21 THR 12 HG21 THR 12 79.862 -18.179 1.662 86 HG22 THR 12 HG22 THR 12 81.068 -19.202 0.879 87 HG23 THR 12 HG23 THR 12 81.361 -18.584 2.504 88 H THR 13 HN THR 13 78.099 -18.589 5.601 89 HA THR 13 HA THR 13 75.860 -17.750 3.842 90 HB THR 13 HB THR 13 75.338 -19.240 5.790 91 HG1 THR 13 HG1 THR 13 73.536 -18.197 5.812 92 HG21 THR 13 HG21 THR 13 77.203 -18.151 7.202 93 HG22 THR 13 HG22 THR 13 75.690 -18.535 8.021 94 HG23 THR 13 HG23 THR 13 76.029 -16.875 7.532 95 H ASP 14 HN ASP 14 78.604 -16.624 5.442 96 HA ASP 14 HA ASP 14 77.630 -14.034 6.213 97 HB2 ASP 14 HB2 ASP 14 80.036 -13.480 6.495 98 HB3 ASP 14 HB1 ASP 14 79.583 -14.957 7.334 99 H GLN 15 HN GLN 15 76.618 -14.041 3.806 100 HA GLN 15 HA GLN 15 78.318 -13.300 1.660 101 HB2 GLN 15 HB2 GLN 15 75.398 -12.678 2.176 102 HB3 GLN 15 HB1 GLN 15 76.225 -12.395 0.647 103 HG2 GLN 15 HG2 GLN 15 76.750 -14.789 0.460 104 HG3 GLN 15 HG1 GLN 15 75.972 -15.085 2.018 105 HE21 GLN 15 HE21 GLN 15 75.405 -15.061 -1.319 106 HE22 GLN 15 HE22 GLN 15 73.709 -14.972 -1.280 107 H LYS 16 HN LYS 16 76.303 -11.346 3.862 108 HA LYS 16 HA LYS 16 78.093 -9.027 3.374 109 HB2 LYS 16 HB2 LYS 16 75.710 -8.965 2.328 110 HB3 LYS 16 HB1 LYS 16 75.155 -8.741 3.982 111 HG2 LYS 16 HG2 LYS 16 76.487 -6.715 4.213 112 HG3 LYS 16 HG1 LYS 16 77.233 -6.980 2.637 113 HD2 LYS 16 HD2 LYS 16 75.000 -6.757 1.562 114 HD3 LYS 16 HD1 LYS 16 74.284 -6.436 3.135 115 HE2 LYS 16 HE2 LYS 16 76.506 -4.765 1.922 116 HE3 LYS 16 HE1 LYS 16 74.795 -4.356 1.814 117 HZ1 LYS 16 HZ1 LYS 16 75.527 -4.972 4.486 118 HZ2 LYS 16 HZ2 LYS 16 74.834 -3.555 3.866 119 HZ3 LYS 16 HZ3 LYS 16 76.525 -3.746 3.875 120 H GLU 17 HN GLU 17 77.539 -11.260 5.560 121 HA GLU 17 HA GLU 17 76.751 -9.811 7.889 122 HB2 GLU 17 HB2 GLU 17 76.589 -12.267 7.719 123 HB3 GLU 17 HB1 GLU 17 78.344 -12.372 7.625 124 HG2 GLU 17 HG2 GLU 17 77.681 -12.855 9.889 125 HG3 GLU 17 HG1 GLU 17 78.471 -11.285 9.887 126 H LYS 18 HN LYS 18 78.055 -9.096 9.632 127 HA LYS 18 HA LYS 18 80.354 -7.626 8.940 128 HB2 LYS 18 HB2 LYS 18 78.935 -7.137 10.938 129 HB3 LYS 18 HB1 LYS 18 79.561 -8.600 11.706 130 HG2 LYS 18 HG2 LYS 18 81.836 -7.718 11.629 131 HG3 LYS 18 HG1 LYS 18 81.294 -6.285 10.766 132 HD2 LYS 18 HD2 LYS 18 79.880 -5.681 12.738 133 HD3 LYS 18 HD1 LYS 18 80.523 -7.089 13.594 134 HE2 LYS 18 HE2 LYS 18 81.816 -5.144 14.260 135 HE3 LYS 18 HE1 LYS 18 82.830 -6.164 13.244 136 HZ1 LYS 18 HZ1 LYS 18 81.830 -3.513 12.760 137 HZ2 LYS 18 HZ2 LYS 18 81.575 -4.569 11.453 138 HZ3 LYS 18 HZ3 LYS 18 83.146 -4.319 12.052 139 H GLN 19 HN GLN 19 82.475 -8.197 8.734 140 HA GLN 19 HA GLN 19 83.300 -10.876 9.709 141 HB2 GLN 19 HB2 GLN 19 84.690 -9.249 7.578 142 HB3 GLN 19 HB1 GLN 19 84.846 -10.965 7.910 143 HG2 GLN 19 HG2 GLN 19 82.334 -9.632 6.879 144 HG3 GLN 19 HG1 GLN 19 83.497 -10.496 5.877 145 HE21 GLN 19 HE21 GLN 19 83.289 -12.772 5.756 146 HE22 GLN 19 HE22 GLN 19 82.177 -13.661 6.681 147 H LYS 20 HN LYS 20 85.855 -10.821 9.825 148 HA LYS 20 HA LYS 20 86.528 -8.854 11.854 149 HB2 LYS 20 HB2 LYS 20 87.110 -11.328 12.043 150 HB3 LYS 20 HB1 LYS 20 88.278 -11.062 10.744 151 HG2 LYS 20 HG2 LYS 20 89.609 -10.763 12.643 152 HG3 LYS 20 HG1 LYS 20 89.145 -9.105 12.264 153 HD2 LYS 20 HD2 LYS 20 87.231 -9.366 13.919 154 HD3 LYS 20 HD1 LYS 20 87.944 -10.909 14.387 155 HE2 LYS 20 HE2 LYS 20 89.954 -9.848 15.147 156 HE3 LYS 20 HE1 LYS 20 89.506 -8.317 14.405 157 HZ1 LYS 20 HZ1 LYS 20 88.176 -9.620 16.717 158 HZ2 LYS 20 HZ2 LYS 20 87.587 -8.234 15.937 159 HZ3 LYS 20 HZ3 LYS 20 89.084 -8.191 16.735 160 HA PRO 21 HA PRO 21 88.526 -6.338 8.654 161 HB2 PRO 21 HB2 PRO 21 90.215 -5.009 10.613 162 HB3 PRO 21 HB1 PRO 21 88.820 -4.353 9.742 163 HG2 PRO 21 HG2 PRO 21 88.968 -5.131 12.491 164 HG3 PRO 21 HG1 PRO 21 87.594 -4.462 11.623 165 HD2 PRO 21 HD2 PRO 21 87.911 -7.152 12.563 166 HD3 PRO 21 HD1 PRO 21 86.562 -6.499 11.618 167 H ASP 22 HN ASP 22 90.599 -6.278 7.625 168 HA ASP 22 HA ASP 22 92.941 -7.476 8.784 169 HB2 ASP 22 HB2 ASP 22 91.271 -9.064 6.838 170 HB3 ASP 22 HB1 ASP 22 93.012 -9.310 6.953 171 H ILE 23 HN ILE 23 94.180 -5.793 8.051 172 HA ILE 23 HA ILE 23 93.889 -4.731 5.391 173 HB ILE 23 HB ILE 23 95.949 -3.387 5.982 174 HG12 ILE 23 HG12 ILE 23 96.091 -3.478 8.709 175 HG13 ILE 23 HG11 ILE 23 95.807 -5.180 8.379 176 HG21 ILE 23 HG21 ILE 23 93.414 -3.374 7.617 177 HG22 ILE 23 HG22 ILE 23 93.877 -2.326 6.280 178 HG23 ILE 23 HG23 ILE 23 94.658 -2.143 7.844 179 HD11 ILE 23 HD11 ILE 23 98.143 -4.938 8.372 180 HD12 ILE 23 HD12 ILE 23 98.078 -3.441 7.458 181 HD13 ILE 23 HD13 ILE 23 97.715 -4.975 6.670 182 H VAL 24 HN VAL 24 95.063 -4.951 3.634 183 HA VAL 24 HA VAL 24 97.058 -7.138 3.559 184 HB VAL 24 HB VAL 24 95.144 -6.013 1.509 185 HG11 VAL 24 HG11 VAL 24 97.480 -7.912 1.193 186 HG12 VAL 24 HG12 VAL 24 97.147 -6.443 0.279 187 HG13 VAL 24 HG13 VAL 24 96.135 -7.867 0.050 188 HG21 VAL 24 HG21 VAL 24 94.349 -8.385 1.526 189 HG22 VAL 24 HG22 VAL 24 94.187 -7.602 3.095 190 HG23 VAL 24 HG23 VAL 24 95.508 -8.731 2.807 191 H LEU 25 HN LEU 25 99.107 -6.695 3.029 192 HA LEU 25 HA LEU 25 99.829 -4.369 1.415 193 HB2 LEU 25 HB2 LEU 25 100.856 -4.874 4.221 194 HB3 LEU 25 HB1 LEU 25 101.679 -3.845 3.063 195 HG LEU 25 HG LEU 25 99.153 -2.768 2.941 196 HD11 LEU 25 HD11 LEU 25 98.125 -4.029 4.664 197 HD12 LEU 25 HD12 LEU 25 98.505 -2.481 5.401 198 HD13 LEU 25 HD13 LEU 25 99.524 -3.882 5.727 199 HD21 LEU 25 HD21 LEU 25 100.124 -1.158 4.806 200 HD22 LEU 25 HD22 LEU 25 100.894 -1.256 3.220 201 HD23 LEU 25 HD23 LEU 25 101.585 -2.119 4.593 202 H TYR 26 HN TYR 26 102.609 -4.596 1.754 203 HA TYR 26 HA TYR 26 103.120 -7.195 0.505 204 HB2 TYR 26 HB2 TYR 26 104.436 -4.550 0.601 205 HB3 TYR 26 HB1 TYR 26 105.562 -5.899 0.632 206 HD1 TYR 26 HD1 TYR 26 106.151 -6.968 -1.403 207 HD2 TYR 26 HD2 TYR 26 102.559 -4.625 -1.177 208 HE1 TYR 26 HE1 TYR 26 105.797 -7.274 -3.840 209 HE2 TYR 26 HE2 TYR 26 102.209 -4.927 -3.609 210 HH TYR 26 HH TYR 26 104.312 -5.665 -5.703 211 HA PRO 27 HA PRO 27 104.244 -8.548 4.704 212 HB2 PRO 27 HB2 PRO 27 105.296 -11.066 3.739 213 HB3 PRO 27 HB1 PRO 27 103.778 -10.769 4.597 214 HG2 PRO 27 HG2 PRO 27 104.118 -11.443 1.858 215 HG3 PRO 27 HG1 PRO 27 102.614 -11.037 2.690 216 HD2 PRO 27 HD2 PRO 27 104.117 -9.417 0.786 217 HD3 PRO 27 HD1 PRO 27 102.509 -9.113 1.488 218 H GLU 28 HN GLU 28 106.412 -8.589 1.938 219 HA GLU 28 HA GLU 28 108.714 -8.346 3.784 220 HB2 GLU 28 HB2 GLU 28 110.078 -9.470 1.980 221 HB3 GLU 28 HB1 GLU 28 108.874 -10.505 2.736 222 HG2 GLU 28 HG2 GLU 28 107.318 -9.895 0.818 223 HG3 GLU 28 HG1 GLU 28 108.717 -9.160 0.034 224 HA PRO 29 HA PRO 29 109.622 -4.527 1.714 225 HB2 PRO 29 HB2 PRO 29 112.510 -4.879 1.536 226 HB3 PRO 29 HB1 PRO 29 111.590 -3.861 2.651 227 HG2 PRO 29 HG2 PRO 29 112.979 -6.163 3.344 228 HG3 PRO 29 HG1 PRO 29 111.710 -5.397 4.311 229 HD2 PRO 29 HD2 PRO 29 111.565 -7.859 2.654 230 HD3 PRO 29 HD1 PRO 29 110.611 -7.385 4.070 231 H VAL 30 HN VAL 30 110.155 -3.558 -0.331 232 HA VAL 30 HA VAL 30 111.062 -5.441 -2.434 233 HB VAL 30 HB VAL 30 108.619 -3.659 -2.562 234 HG11 VAL 30 HG11 VAL 30 109.661 -3.333 -4.668 235 HG12 VAL 30 HG12 VAL 30 108.571 -4.685 -4.969 236 HG13 VAL 30 HG13 VAL 30 110.287 -4.977 -4.715 237 HG21 VAL 30 HG21 VAL 30 109.094 -6.635 -2.950 238 HG22 VAL 30 HG22 VAL 30 107.547 -5.824 -3.184 239 HG23 VAL 30 HG23 VAL 30 108.276 -5.888 -1.576 240 H ARG 31 HN ARG 31 112.448 -4.603 -3.908 241 HA ARG 31 HA ARG 31 112.937 -1.681 -3.814 242 HB2 ARG 31 HB2 ARG 31 115.189 -3.587 -4.368 243 HB3 ARG 31 HB1 ARG 31 115.233 -1.985 -3.635 244 HG2 ARG 31 HG2 ARG 31 114.103 -2.946 -1.616 245 HG3 ARG 31 HG1 ARG 31 114.245 -4.543 -2.354 246 HD2 ARG 31 HD2 ARG 31 116.584 -2.701 -1.775 247 HD3 ARG 31 HD1 ARG 31 116.116 -4.074 -0.777 248 HE ARG 31 HE ARG 31 117.430 -4.172 -3.384 249 HH11 ARG 31 HH11 ARG 31 115.451 -6.230 -3.775 250 HH12 ARG 31 HH12 ARG 31 116.114 -7.629 -2.999 251 HH21 ARG 31 HH21 ARG 31 118.395 -5.847 -1.106 252 HH22 ARG 31 HH22 ARG 31 117.761 -7.411 -1.483 253 H VAL 32 HN VAL 32 113.183 -0.674 -5.785 254 HA VAL 32 HA VAL 32 113.381 -2.436 -8.163 255 HB VAL 32 HB VAL 32 111.080 -1.158 -7.579 256 HG11 VAL 32 HG11 VAL 32 111.912 1.104 -7.609 257 HG12 VAL 32 HG12 VAL 32 110.887 0.878 -9.009 258 HG13 VAL 32 HG13 VAL 32 112.628 0.893 -9.204 259 HG21 VAL 32 HG21 VAL 32 111.004 -2.592 -9.401 260 HG22 VAL 32 HG22 VAL 32 112.393 -1.849 -10.188 261 HG23 VAL 32 HG23 VAL 32 110.824 -1.044 -10.225 262 H LEU 33 HN LEU 33 114.082 -1.006 -10.152 263 HA LEU 33 HA LEU 33 116.386 0.627 -9.232 264 HB2 LEU 33 HB2 LEU 33 116.125 -0.974 -11.789 265 HB3 LEU 33 HB1 LEU 33 117.544 -0.095 -11.241 266 HG LEU 33 HG LEU 33 116.425 -2.151 -9.361 267 HD11 LEU 33 HD11 LEU 33 117.972 -2.848 -11.876 268 HD12 LEU 33 HD12 LEU 33 116.351 -3.400 -11.448 269 HD13 LEU 33 HD13 LEU 33 117.745 -3.942 -10.510 270 HD21 LEU 33 HD21 LEU 33 119.320 -1.841 -10.154 271 HD22 LEU 33 HD22 LEU 33 118.627 -2.289 -8.593 272 HD23 LEU 33 HD23 LEU 33 118.575 -0.619 -9.133 273 H GLU 34 HN GLU 34 116.739 2.628 -10.113 274 HA GLU 34 HA GLU 34 114.749 4.206 -11.131 275 HB2 GLU 34 HB2 GLU 34 116.964 5.099 -10.490 276 HB3 GLU 34 HB1 GLU 34 117.666 4.384 -11.938 277 HG2 GLU 34 HG2 GLU 34 116.186 5.773 -13.356 278 HG3 GLU 34 HG1 GLU 34 115.477 6.492 -11.908 279 H GLY 35 HN GLY 35 113.506 4.098 -12.914 280 HA2 GLY 35 HA2 GLY 35 113.316 4.168 -15.317 281 HA3 GLY 35 HA1 GLY 35 114.708 3.098 -15.434 282 H GLU 36 HN GLU 36 112.857 2.054 -12.887 283 HA GLU 36 HA GLU 36 111.309 0.153 -14.574 284 HB2 GLU 36 HB2 GLU 36 112.645 -0.337 -11.901 285 HB3 GLU 36 HB1 GLU 36 111.612 -1.490 -12.754 286 HG2 GLU 36 HG2 GLU 36 113.175 -1.419 -14.687 287 HG3 GLU 36 HG1 GLU 36 114.226 -0.345 -13.768 288 H THR 37 HN THR 37 109.164 0.174 -14.222 289 HA THR 37 HA THR 37 108.044 1.898 -12.195 290 HB THR 37 HB THR 37 106.826 1.851 -14.236 291 HG1 THR 37 HG1 THR 37 104.862 1.209 -13.493 292 HG21 THR 37 HG21 THR 37 107.670 -0.150 -15.266 293 HG22 THR 37 HG22 THR 37 105.929 -0.357 -15.123 294 HG23 THR 37 HG23 THR 37 107.006 -1.166 -13.986 295 H ALA 38 HN ALA 38 106.704 1.211 -10.460 296 HA ALA 38 HA ALA 38 107.149 -1.602 -9.612 297 HB1 ALA 38 HB1 ALA 38 106.949 -0.694 -7.274 298 HB2 ALA 38 HB2 ALA 38 106.979 0.920 -7.962 299 HB3 ALA 38 HB3 ALA 38 108.375 -0.134 -8.148 300 H ARG 39 HN ARG 39 105.513 -2.657 -8.552 301 HA ARG 39 HA ARG 39 102.805 -1.476 -8.869 302 HB2 ARG 39 HB2 ARG 39 103.698 -4.359 -9.130 303 HB3 ARG 39 HB1 ARG 39 102.025 -3.811 -9.170 304 HG2 ARG 39 HG2 ARG 39 102.479 -2.419 -11.119 305 HG3 ARG 39 HG1 ARG 39 104.188 -2.860 -11.064 306 HD2 ARG 39 HD2 ARG 39 101.927 -4.845 -11.429 307 HD3 ARG 39 HD1 ARG 39 102.855 -4.157 -12.757 308 HE ARG 39 HE ARG 39 104.835 -5.185 -11.306 309 HH11 ARG 39 HH11 ARG 39 105.012 -7.071 -13.074 310 HH12 ARG 39 HH12 ARG 39 104.087 -8.459 -12.610 311 HH21 ARG 39 HH21 ARG 39 102.191 -6.753 -10.262 312 HH22 ARG 39 HH22 ARG 39 102.500 -8.283 -11.015 313 H PHE 40 HN PHE 40 102.306 -0.778 -6.882 314 HA PHE 40 HA PHE 40 102.331 -2.763 -4.676 315 HB2 PHE 40 HB2 PHE 40 102.728 0.217 -4.360 316 HB3 PHE 40 HB1 PHE 40 102.707 -0.974 -3.069 317 HD1 PHE 40 HD1 PHE 40 104.452 -3.116 -3.854 318 HD2 PHE 40 HD2 PHE 40 104.844 1.086 -4.687 319 HE1 PHE 40 HE1 PHE 40 106.897 -3.380 -4.113 320 HE2 PHE 40 HE2 PHE 40 107.279 0.812 -4.942 321 HZ PHE 40 HZ PHE 40 108.316 -1.424 -4.670 322 H ARG 41 HN ARG 41 100.544 -2.645 -3.298 323 HA ARG 41 HA ARG 41 98.366 -0.798 -4.030 324 HB2 ARG 41 HB2 ARG 41 96.756 -2.655 -4.061 325 HB3 ARG 41 HB1 ARG 41 97.996 -2.890 -5.296 326 HG2 ARG 41 HG2 ARG 41 99.241 -4.366 -3.735 327 HG3 ARG 41 HG1 ARG 41 97.932 -4.191 -2.562 328 HD2 ARG 41 HD2 ARG 41 97.557 -5.230 -5.367 329 HD3 ARG 41 HD1 ARG 41 97.763 -6.262 -3.953 330 HE ARG 41 HE ARG 41 95.388 -4.758 -4.676 331 HH11 ARG 41 HH11 ARG 41 94.976 -3.820 -2.190 332 HH12 ARG 41 HH12 ARG 41 94.607 -5.143 -1.142 333 HH21 ARG 41 HH21 ARG 41 95.804 -7.558 -3.293 334 HH22 ARG 41 HH22 ARG 41 95.057 -7.240 -1.760 335 H CYS 42 HN CYS 42 96.794 -0.554 -2.362 336 HA CYS 42 HA CYS 42 97.435 -1.710 0.263 337 HB2 CYS 42 HB2 CYS 42 96.786 1.190 0.334 338 HB3 CYS 42 HB1 CYS 42 97.947 0.277 1.287 339 HG CYS 42 HG CYS 42 99.705 0.558 -0.542 340 H ARG 43 HN ARG 43 95.571 -2.748 0.645 341 HA ARG 43 HA ARG 43 93.030 -1.238 0.308 342 HB2 ARG 43 HB2 ARG 43 93.529 -2.932 -1.530 343 HB3 ARG 43 HB1 ARG 43 93.373 -4.181 -0.296 344 HG2 ARG 43 HG2 ARG 43 91.073 -3.470 0.160 345 HG3 ARG 43 HG1 ARG 43 91.227 -2.157 -1.009 346 HD2 ARG 43 HD2 ARG 43 91.761 -3.900 -2.748 347 HD3 ARG 43 HD1 ARG 43 91.354 -5.132 -1.555 348 HE ARG 43 HE ARG 43 89.497 -3.346 -2.928 349 HH11 ARG 43 HH11 ARG 43 89.372 -6.419 -2.288 350 HH12 ARG 43 HH12 ARG 43 88.016 -6.443 -1.212 351 HH21 ARG 43 HH21 ARG 43 88.000 -3.027 -0.691 352 HH22 ARG 43 HH22 ARG 43 87.225 -4.536 -0.340 353 H VAL 44 HN VAL 44 91.157 -2.499 1.657 354 HA VAL 44 HA VAL 44 92.341 -3.698 4.054 355 HB VAL 44 HB VAL 44 89.925 -1.852 3.987 356 HG11 VAL 44 HG11 VAL 44 90.444 -1.830 6.482 357 HG12 VAL 44 HG12 VAL 44 91.594 -3.128 6.170 358 HG13 VAL 44 HG13 VAL 44 89.882 -3.372 5.839 359 HG21 VAL 44 HG21 VAL 44 91.730 -0.395 3.468 360 HG22 VAL 44 HG22 VAL 44 92.836 -1.246 4.539 361 HG23 VAL 44 HG23 VAL 44 91.541 -0.258 5.219 362 H THR 45 HN THR 45 90.389 -5.085 5.099 363 HA THR 45 HA THR 45 88.231 -5.625 3.281 364 HB THR 45 HB THR 45 90.275 -7.834 3.493 365 HG1 THR 45 HG1 THR 45 89.725 -6.065 1.351 366 HG21 THR 45 HG21 THR 45 88.896 -8.800 1.651 367 HG22 THR 45 HG22 THR 45 87.762 -7.457 1.836 368 HG23 THR 45 HG23 THR 45 87.991 -8.611 3.153 369 H GLY 46 HN GLY 46 86.721 -5.732 4.824 370 HA2 GLY 46 HA2 GLY 46 85.842 -7.912 6.051 371 HA3 GLY 46 HA1 GLY 46 87.110 -7.442 7.173 372 H TYR 47 HN TYR 47 86.607 -4.549 6.577 373 HA TYR 47 HA TYR 47 84.141 -4.232 8.175 374 HB2 TYR 47 HB2 TYR 47 86.237 -3.624 9.364 375 HB3 TYR 47 HB1 TYR 47 86.539 -2.403 8.134 376 HD1 TYR 47 HD1 TYR 47 85.269 -0.362 8.049 377 HD2 TYR 47 HD2 TYR 47 84.287 -3.418 10.893 378 HE1 TYR 47 HE1 TYR 47 83.780 1.229 9.239 379 HE2 TYR 47 HE2 TYR 47 82.810 -1.828 12.092 380 HH TYR 47 HH TYR 47 81.471 0.455 11.205 381 HA PRO 48 HA PRO 48 82.610 -2.019 4.584 382 HB2 PRO 48 HB2 PRO 48 80.831 -0.355 6.156 383 HB3 PRO 48 HB1 PRO 48 80.423 -1.749 5.152 384 HG2 PRO 48 HG2 PRO 48 80.525 -1.589 8.015 385 HG3 PRO 48 HG1 PRO 48 80.046 -2.961 7.009 386 HD2 PRO 48 HD2 PRO 48 82.438 -2.702 8.555 387 HD3 PRO 48 HD1 PRO 48 82.005 -4.020 7.451 388 H GLN 49 HN GLN 49 82.906 -0.092 3.571 389 HA GLN 49 HA GLN 49 84.552 1.622 3.208 390 HB2 GLN 49 HB2 GLN 49 82.000 2.578 4.484 391 HB3 GLN 49 HB1 GLN 49 83.199 3.717 3.871 392 HG2 GLN 49 HG2 GLN 49 81.559 3.299 2.129 393 HG3 GLN 49 HG1 GLN 49 83.081 2.561 1.649 394 HE21 GLN 49 HE21 GLN 49 80.071 1.666 3.430 395 HE22 GLN 49 HE22 GLN 49 80.007 0.086 2.811 396 HA PRO 50 HA PRO 50 86.359 2.212 7.453 397 HB2 PRO 50 HB2 PRO 50 88.910 1.292 6.383 398 HB3 PRO 50 HB1 PRO 50 87.901 0.519 7.623 399 HG2 PRO 50 HG2 PRO 50 88.329 -0.498 5.088 400 HG3 PRO 50 HG1 PRO 50 86.957 -0.916 6.128 401 HD2 PRO 50 HD2 PRO 50 87.058 0.974 3.801 402 HD3 PRO 50 HD1 PRO 50 85.741 -0.102 4.331 403 H LYS 51 HN LYS 51 88.057 3.871 8.050 404 HA LYS 51 HA LYS 51 88.652 5.707 5.777 405 HB2 LYS 51 HB2 LYS 51 88.143 6.327 8.704 406 HB3 LYS 51 HB1 LYS 51 88.659 7.508 7.498 407 HG2 LYS 51 HG2 LYS 51 86.629 7.049 6.170 408 HG3 LYS 51 HG1 LYS 51 86.110 5.866 7.376 409 HD2 LYS 51 HD2 LYS 51 86.139 7.687 9.097 410 HD3 LYS 51 HD1 LYS 51 86.504 8.841 7.811 411 HE2 LYS 51 HE2 LYS 51 84.061 7.040 7.835 412 HE3 LYS 51 HE1 LYS 51 84.062 8.714 8.388 413 HZ1 LYS 51 HZ1 LYS 51 83.906 7.716 5.742 414 HZ2 LYS 51 HZ2 LYS 51 85.258 8.730 5.898 415 HZ3 LYS 51 HZ3 LYS 51 83.711 9.305 6.295 416 H VAL 52 HN VAL 52 90.719 4.903 5.271 417 HA VAL 52 HA VAL 52 92.760 5.061 7.408 418 HB VAL 52 HB VAL 52 93.969 3.374 6.141 419 HG11 VAL 52 HG11 VAL 52 91.964 2.746 7.657 420 HG12 VAL 52 HG12 VAL 52 92.544 1.520 6.524 421 HG13 VAL 52 HG13 VAL 52 91.096 2.447 6.154 422 HG21 VAL 52 HG21 VAL 52 92.807 2.386 4.093 423 HG22 VAL 52 HG22 VAL 52 93.465 4.011 3.884 424 HG23 VAL 52 HG23 VAL 52 91.738 3.789 4.140 425 H ASN 53 HN ASN 53 94.926 5.575 6.596 426 HA ASN 53 HA ASN 53 95.076 7.198 4.145 427 HB2 ASN 53 HB2 ASN 53 96.108 8.134 6.837 428 HB3 ASN 53 HB1 ASN 53 96.224 8.998 5.312 429 HD21 ASN 53 HD21 ASN 53 93.723 8.938 4.227 430 HD22 ASN 53 HD22 ASN 53 92.567 9.575 5.298 431 H TRP 54 HN TRP 54 97.594 7.705 3.793 432 HA TRP 54 HA TRP 54 99.251 5.595 5.023 433 HB2 TRP 54 HB2 TRP 54 99.544 5.732 2.066 434 HB3 TRP 54 HB1 TRP 54 99.599 4.338 3.149 435 HD1 TRP 54 HD1 TRP 54 96.969 6.820 1.854 436 HE1 TRP 54 HE1 TRP 54 94.769 5.535 1.372 437 HE3 TRP 54 HE3 TRP 54 98.352 2.202 3.423 438 HZ2 TRP 54 HZ2 TRP 54 93.730 2.868 1.768 439 HZ3 TRP 54 HZ3 TRP 54 96.752 0.312 3.415 440 HH2 TRP 54 HH2 TRP 54 94.446 0.638 2.577 441 H TYR 55 HN TYR 55 101.554 5.771 4.346 442 HA TYR 55 HA TYR 55 102.346 8.593 3.890 443 HB2 TYR 55 HB2 TYR 55 103.558 6.531 5.733 444 HB3 TYR 55 HB1 TYR 55 104.402 7.990 5.261 445 HD1 TYR 55 HD1 TYR 55 104.356 9.693 6.821 446 HD2 TYR 55 HD2 TYR 55 100.941 7.103 6.490 447 HE1 TYR 55 HE1 TYR 55 103.248 10.924 8.656 448 HE2 TYR 55 HE2 TYR 55 99.832 8.353 8.320 449 HH TYR 55 HH TYR 55 100.460 11.199 9.256 450 H LEU 56 HN LEU 56 103.211 8.652 1.830 451 HA LEU 56 HA LEU 56 104.674 6.353 0.774 452 HB2 LEU 56 HB2 LEU 56 104.138 9.123 -0.328 453 HB3 LEU 56 HB1 LEU 56 105.074 7.897 -1.177 454 HG LEU 56 HG LEU 56 103.075 6.350 -0.974 455 HD11 LEU 56 HD11 LEU 56 100.873 7.739 -0.665 456 HD12 LEU 56 HD12 LEU 56 101.904 8.876 0.189 457 HD13 LEU 56 HD13 LEU 56 101.754 7.215 0.763 458 HD21 LEU 56 HD21 LEU 56 103.245 7.220 -3.128 459 HD22 LEU 56 HD22 LEU 56 103.117 8.888 -2.583 460 HD23 LEU 56 HD23 LEU 56 101.678 7.878 -2.663 461 H ASN 57 HN ASN 57 106.981 6.178 0.717 462 HA ASN 57 HA ASN 57 109.065 6.578 1.514 463 HB2 ASN 57 HB2 ASN 57 108.390 9.242 0.254 464 HB3 ASN 57 HB1 ASN 57 110.008 8.759 0.746 465 HD21 ASN 57 HD21 ASN 57 107.743 8.588 -1.819 466 HD22 ASN 57 HD22 ASN 57 108.559 7.441 -2.763 467 H GLY 58 HN GLY 58 106.590 7.672 3.182 468 HA2 GLY 58 HA2 GLY 58 106.757 8.127 5.524 469 HA3 GLY 58 HA1 GLY 58 108.274 8.976 5.230 470 H GLN 59 HN GLN 59 105.539 9.506 3.111 471 HA GLN 59 HA GLN 59 105.008 12.121 4.419 472 HB2 GLN 59 HB2 GLN 59 105.323 11.525 1.467 473 HB3 GLN 59 HB1 GLN 59 104.684 13.035 2.109 474 HG2 GLN 59 HG2 GLN 59 106.769 13.478 3.288 475 HG3 GLN 59 HG1 GLN 59 107.413 11.908 2.810 476 HE21 GLN 59 HE21 GLN 59 105.636 12.910 0.194 477 HE22 GLN 59 HE22 GLN 59 106.847 13.707 -0.683 478 H LEU 60 HN LEU 60 102.960 12.315 5.019 479 HA LEU 60 HA LEU 60 100.945 10.432 4.263 480 HB2 LEU 60 HB2 LEU 60 101.141 11.279 6.549 481 HB3 LEU 60 HB1 LEU 60 100.887 12.919 5.985 482 HG LEU 60 HG LEU 60 98.607 12.285 5.214 483 HD11 LEU 60 HD11 LEU 60 99.595 9.577 5.911 484 HD12 LEU 60 HD12 LEU 60 98.315 10.065 4.803 485 HD13 LEU 60 HD13 LEU 60 97.982 9.933 6.520 486 HD21 LEU 60 HD21 LEU 60 99.172 13.129 7.577 487 HD22 LEU 60 HD22 LEU 60 98.969 11.454 8.100 488 HD23 LEU 60 HD23 LEU 60 97.614 12.322 7.374 489 H ILE 61 HN ILE 61 98.914 10.921 3.342 490 HA ILE 61 HA ILE 61 97.543 11.747 1.760 491 HB ILE 61 HB ILE 61 96.950 13.568 3.096 492 HG12 ILE 61 HG12 ILE 61 96.578 15.386 1.518 493 HG13 ILE 61 HG11 ILE 61 97.840 14.777 0.465 494 HG21 ILE 61 HG21 ILE 61 98.193 15.686 3.236 495 HG22 ILE 61 HG22 ILE 61 99.518 14.968 2.337 496 HG23 ILE 61 HG23 ILE 61 99.088 14.350 3.940 497 HD11 ILE 61 HD11 ILE 61 95.374 14.203 -0.096 498 HD12 ILE 61 HD12 ILE 61 95.498 13.032 1.220 499 HD13 ILE 61 HD13 ILE 61 96.565 12.905 -0.180 500 H ARG 62 HN ARG 62 97.782 11.219 -0.126 501 HA ARG 62 HA ARG 62 100.079 12.134 -1.754 502 HB2 ARG 62 HB2 ARG 62 100.009 9.706 -1.526 503 HB3 ARG 62 HB1 ARG 62 98.323 9.672 -2.020 504 HG2 ARG 62 HG2 ARG 62 99.834 9.046 -3.884 505 HG3 ARG 62 HG1 ARG 62 98.941 10.517 -4.250 506 HD2 ARG 62 HD2 ARG 62 100.833 11.891 -3.907 507 HD3 ARG 62 HD1 ARG 62 101.679 10.655 -2.989 508 HE ARG 62 HE ARG 62 101.743 11.007 -5.822 509 HH11 ARG 62 HH11 ARG 62 100.502 8.264 -5.511 510 HH12 ARG 62 HH12 ARG 62 101.897 7.239 -5.434 511 HH21 ARG 62 HH21 ARG 62 104.102 9.851 -4.848 512 HH22 ARG 62 HH22 ARG 62 103.940 8.144 -5.093 513 H LYS 63 HN LYS 63 99.662 13.205 -3.617 514 HA LYS 63 HA LYS 63 97.319 14.633 -3.938 515 HB2 LYS 63 HB2 LYS 63 99.345 13.926 -6.076 516 HB3 LYS 63 HB1 LYS 63 98.213 15.276 -6.130 517 HG2 LYS 63 HG2 LYS 63 100.161 14.972 -3.833 518 HG3 LYS 63 HG1 LYS 63 100.637 15.768 -5.323 519 HD2 LYS 63 HD2 LYS 63 98.839 17.415 -5.057 520 HD3 LYS 63 HD1 LYS 63 98.278 16.598 -3.602 521 HE2 LYS 63 HE2 LYS 63 100.375 17.062 -2.470 522 HE3 LYS 63 HE1 LYS 63 101.033 17.797 -3.932 523 HZ1 LYS 63 HZ1 LYS 63 99.728 19.628 -3.709 524 HZ2 LYS 63 HZ2 LYS 63 99.886 19.228 -2.064 525 HZ3 LYS 63 HZ3 LYS 63 98.478 18.795 -2.920 526 H SER 64 HN SER 64 95.642 14.601 -5.381 527 HA SER 64 HA SER 64 94.445 12.047 -5.811 528 HB2 SER 64 HB2 SER 64 92.487 13.237 -6.290 529 HB3 SER 64 HB1 SER 64 93.329 14.272 -5.155 530 HG SER 64 HG SER 64 93.173 15.713 -6.675 531 H LYS 65 HN LYS 65 93.085 13.334 -8.247 532 HA LYS 65 HA LYS 65 93.377 11.937 -10.318 533 HB2 LYS 65 HB2 LYS 65 93.882 14.898 -10.387 534 HB3 LYS 65 HB1 LYS 65 93.659 13.940 -11.851 535 HG2 LYS 65 HG2 LYS 65 91.484 13.150 -11.005 536 HG3 LYS 65 HG1 LYS 65 91.699 14.097 -9.538 537 HD2 LYS 65 HD2 LYS 65 91.772 16.164 -10.859 538 HD3 LYS 65 HD1 LYS 65 91.617 15.235 -12.350 539 HE2 LYS 65 HE2 LYS 65 89.425 14.377 -11.575 540 HE3 LYS 65 HE1 LYS 65 89.567 15.361 -10.119 541 HZ1 LYS 65 HZ1 LYS 65 89.869 17.299 -11.682 542 HZ2 LYS 65 HZ2 LYS 65 88.310 16.622 -11.612 543 HZ3 LYS 65 HZ3 LYS 65 89.336 16.269 -12.922 544 H ARG 66 HN ARG 66 96.304 13.836 -9.423 545 HA ARG 66 HA ARG 66 97.809 13.078 -11.694 546 HB2 ARG 66 HB2 ARG 66 98.516 14.858 -10.098 547 HB3 ARG 66 HB1 ARG 66 98.857 13.605 -8.893 548 HG2 ARG 66 HG2 ARG 66 100.504 12.578 -10.403 549 HG3 ARG 66 HG1 ARG 66 100.135 13.783 -11.634 550 HD2 ARG 66 HD2 ARG 66 100.945 15.572 -10.192 551 HD3 ARG 66 HD1 ARG 66 101.213 14.429 -8.873 552 HE ARG 66 HE ARG 66 102.679 13.456 -11.010 553 HH11 ARG 66 HH11 ARG 66 104.067 14.211 -8.505 554 HH12 ARG 66 HH12 ARG 66 105.070 15.535 -8.985 555 HH21 ARG 66 HH21 ARG 66 103.363 16.096 -11.960 556 HH22 ARG 66 HH22 ARG 66 104.682 16.595 -10.955 557 H PHE 67 HN PHE 67 97.341 11.542 -8.554 558 HA PHE 67 HA PHE 67 98.518 9.030 -9.617 559 HB2 PHE 67 HB2 PHE 67 98.605 10.238 -6.844 560 HB3 PHE 67 HB1 PHE 67 98.910 8.529 -7.136 561 HD1 PHE 67 HD1 PHE 67 100.300 11.909 -7.351 562 HD2 PHE 67 HD2 PHE 67 100.786 7.841 -8.661 563 HE1 PHE 67 HE1 PHE 67 102.647 12.394 -8.016 564 HE2 PHE 67 HE2 PHE 67 103.123 8.330 -9.318 565 HZ PHE 67 HZ PHE 67 104.055 10.605 -8.997 566 H ARG 68 HN ARG 68 97.267 7.138 -9.242 567 HA ARG 68 HA ARG 68 94.455 7.594 -8.919 568 HB2 ARG 68 HB2 ARG 68 96.132 5.101 -9.215 569 HB3 ARG 68 HB1 ARG 68 94.417 4.991 -8.817 570 HG2 ARG 68 HG2 ARG 68 94.658 4.832 -11.225 571 HG3 ARG 68 HG1 ARG 68 93.912 6.388 -10.838 572 HD2 ARG 68 HD2 ARG 68 96.067 7.516 -11.099 573 HD3 ARG 68 HD1 ARG 68 96.869 5.973 -11.376 574 HE ARG 68 HE ARG 68 95.036 5.970 -13.334 575 HH11 ARG 68 HH11 ARG 68 97.689 7.974 -12.449 576 HH12 ARG 68 HH12 ARG 68 97.628 8.939 -13.885 577 HH21 ARG 68 HH21 ARG 68 94.725 7.479 -15.079 578 HH22 ARG 68 HH22 ARG 68 95.957 8.666 -15.364 579 H VAL 69 HN VAL 69 93.411 7.897 -7.093 580 HA VAL 69 HA VAL 69 93.970 6.244 -4.759 581 HB VAL 69 HB VAL 69 95.521 8.258 -4.624 582 HG11 VAL 69 HG11 VAL 69 94.608 10.398 -4.090 583 HG12 VAL 69 HG12 VAL 69 92.979 9.738 -3.939 584 HG13 VAL 69 HG13 VAL 69 93.746 9.846 -5.528 585 HG21 VAL 69 HG21 VAL 69 94.909 8.727 -2.232 586 HG22 VAL 69 HG22 VAL 69 95.008 7.007 -2.622 587 HG23 VAL 69 HG23 VAL 69 93.434 7.794 -2.484 588 H ARG 70 HN ARG 70 92.159 5.874 -3.593 589 HA ARG 70 HA ARG 70 89.833 7.675 -3.851 590 HB2 ARG 70 HB2 ARG 70 89.738 4.657 -4.207 591 HB3 ARG 70 HB1 ARG 70 88.320 5.694 -4.015 592 HG2 ARG 70 HG2 ARG 70 88.894 6.921 -6.036 593 HG3 ARG 70 HG1 ARG 70 90.384 5.986 -6.214 594 HD2 ARG 70 HD2 ARG 70 87.596 4.792 -6.223 595 HD3 ARG 70 HD1 ARG 70 88.522 5.170 -7.669 596 HE ARG 70 HE ARG 70 90.127 3.523 -6.069 597 HH11 ARG 70 HH11 ARG 70 87.062 2.665 -5.937 598 HH12 ARG 70 HH12 ARG 70 87.087 1.326 -7.038 599 HH21 ARG 70 HH21 ARG 70 90.221 2.141 -8.328 600 HH22 ARG 70 HH22 ARG 70 88.907 1.011 -8.385 601 H TYR 71 HN TYR 71 89.790 8.403 -1.780 602 HA TYR 71 HA TYR 71 90.621 6.778 0.422 603 HB2 TYR 71 HB2 TYR 71 88.936 9.249 0.757 604 HB3 TYR 71 HB1 TYR 71 90.277 8.676 1.749 605 HD1 TYR 71 HD1 TYR 71 89.383 10.142 -1.541 606 HD2 TYR 71 HD2 TYR 71 92.551 9.306 1.242 607 HE1 TYR 71 HE1 TYR 71 90.929 11.531 -2.888 608 HE2 TYR 71 HE2 TYR 71 94.097 10.698 -0.107 609 HH TYR 71 HH TYR 71 93.106 12.858 -2.398 610 H ASP 72 HN ASP 72 89.357 4.930 0.348 611 HA ASP 72 HA ASP 72 86.986 4.953 1.894 612 HB2 ASP 72 HB2 ASP 72 86.698 4.757 -1.101 613 HB3 ASP 72 HB1 ASP 72 85.620 3.818 -0.072 614 H GLY 73 HN GLY 73 89.616 3.769 1.689 615 HA2 GLY 73 HA2 GLY 73 90.171 1.635 2.645 616 HA3 GLY 73 HA1 GLY 73 88.853 0.917 1.733 617 H ILE 74 HN ILE 74 89.767 2.677 -0.620 618 HA ILE 74 HA ILE 74 91.888 0.836 -1.593 619 HB ILE 74 HB ILE 74 89.772 2.409 -3.076 620 HG12 ILE 74 HG12 ILE 74 89.189 -0.114 -3.688 621 HG13 ILE 74 HG11 ILE 74 90.060 -0.468 -2.198 622 HG21 ILE 74 HG21 ILE 74 91.587 2.315 -4.556 623 HG22 ILE 74 HG22 ILE 74 90.622 0.909 -5.001 624 HG23 ILE 74 HG23 ILE 74 92.071 0.710 -4.015 625 HD11 ILE 74 HD11 ILE 74 87.836 1.587 -2.271 626 HD12 ILE 74 HD12 ILE 74 88.506 0.745 -0.873 627 HD13 ILE 74 HD13 ILE 74 87.508 -0.126 -2.030 628 H HIS 75 HN HIS 75 93.862 1.739 -1.669 629 HA HIS 75 HA HIS 75 94.184 4.348 -2.975 630 HB2 HIS 75 HB2 HIS 75 94.579 5.368 -0.988 631 HB3 HIS 75 HB1 HIS 75 94.606 3.830 -0.162 632 HD1 HIS 75 HD1 HIS 75 96.865 2.898 0.517 633 HD2 HIS 75 HD2 HIS 75 97.188 6.148 -2.063 634 HE1 HIS 75 HE1 HIS 75 99.293 3.556 0.519 635 H TYR 76 HN TYR 76 95.388 3.899 -4.647 636 HA TYR 76 HA TYR 76 97.323 1.683 -4.558 637 HB2 TYR 76 HB2 TYR 76 95.926 3.183 -6.735 638 HB3 TYR 76 HB1 TYR 76 97.434 2.372 -7.120 639 HD1 TYR 76 HD1 TYR 76 94.775 1.302 -4.705 640 HD2 TYR 76 HD2 TYR 76 96.746 0.551 -8.448 641 HE1 TYR 76 HE1 TYR 76 93.535 -0.826 -4.939 642 HE2 TYR 76 HE2 TYR 76 95.507 -1.584 -8.673 643 HH TYR 76 HH TYR 76 94.255 -3.213 -6.498 644 H LEU 77 HN LEU 77 99.425 1.802 -5.000 645 HA LEU 77 HA LEU 77 100.725 4.443 -5.299 646 HB2 LEU 77 HB2 LEU 77 101.696 2.143 -3.589 647 HB3 LEU 77 HB1 LEU 77 102.561 3.654 -3.861 648 HG LEU 77 HG LEU 77 99.848 3.366 -2.539 649 HD11 LEU 77 HD11 LEU 77 101.217 4.254 -0.554 650 HD12 LEU 77 HD12 LEU 77 102.648 3.855 -1.493 651 HD13 LEU 77 HD13 LEU 77 101.521 2.585 -1.029 652 HD21 LEU 77 HD21 LEU 77 99.691 5.499 -3.410 653 HD22 LEU 77 HD22 LEU 77 101.436 5.722 -3.506 654 HD23 LEU 77 HD23 LEU 77 100.609 5.885 -1.963 655 H ASP 78 HN ASP 78 100.996 4.139 -7.538 656 HA ASP 78 HA ASP 78 102.851 1.944 -8.313 657 HB2 ASP 78 HB2 ASP 78 100.639 3.318 -9.821 658 HB3 ASP 78 HB1 ASP 78 101.912 2.418 -10.654 659 H ILE 79 HN ILE 79 104.698 2.403 -9.320 660 HA ILE 79 HA ILE 79 105.469 5.239 -9.615 661 HB ILE 79 HB ILE 79 107.119 2.713 -9.707 662 HG12 ILE 79 HG12 ILE 79 106.970 4.824 -7.544 663 HG13 ILE 79 HG11 ILE 79 106.089 3.295 -7.478 664 HG21 ILE 79 HG21 ILE 79 108.277 4.323 -10.974 665 HG22 ILE 79 HG22 ILE 79 108.981 4.468 -9.367 666 HG23 ILE 79 HG23 ILE 79 107.785 5.643 -9.914 667 HD11 ILE 79 HD11 ILE 79 107.945 2.451 -6.478 668 HD12 ILE 79 HD12 ILE 79 108.925 3.837 -6.944 669 HD13 ILE 79 HD13 ILE 79 108.708 2.491 -8.070 670 H VAL 80 HN VAL 80 106.694 5.823 -11.595 671 HA VAL 80 HA VAL 80 105.936 4.139 -13.929 672 HB VAL 80 HB VAL 80 104.467 6.046 -13.921 673 HG11 VAL 80 HG11 VAL 80 105.295 8.348 -13.841 674 HG12 VAL 80 HG12 VAL 80 106.954 7.762 -13.672 675 HG13 VAL 80 HG13 VAL 80 105.781 7.477 -12.383 676 HG21 VAL 80 HG21 VAL 80 105.669 5.361 -16.064 677 HG22 VAL 80 HG22 VAL 80 106.707 6.763 -15.813 678 HG23 VAL 80 HG23 VAL 80 104.975 6.981 -16.045 679 H ASP 81 HN ASP 81 107.339 4.593 -15.826 680 HA ASP 81 HA ASP 81 110.039 4.246 -15.133 681 HB2 ASP 81 HB2 ASP 81 109.106 3.416 -17.231 682 HB3 ASP 81 HB1 ASP 81 108.824 5.065 -17.782 683 H CYS 82 HN CYS 82 110.062 6.160 -13.648 684 HA CYS 82 HA CYS 82 111.885 7.994 -14.083 685 HB2 CYS 82 HB2 CYS 82 111.122 9.046 -16.020 686 HB3 CYS 82 HB1 CYS 82 109.428 8.884 -15.566 687 HG CYS 82 HG CYS 82 110.407 10.735 -13.576 688 H LYS 83 HN LYS 83 112.009 9.597 -12.439 689 HA LYS 83 HA LYS 83 111.540 10.533 -10.403 690 HB2 LYS 83 HB2 LYS 83 109.351 11.096 -11.704 691 HB3 LYS 83 HB1 LYS 83 108.636 9.788 -10.765 692 HG2 LYS 83 HG2 LYS 83 109.264 10.883 -8.681 693 HG3 LYS 83 HG1 LYS 83 110.102 12.156 -9.569 694 HD2 LYS 83 HD2 LYS 83 107.979 12.831 -10.622 695 HD3 LYS 83 HD1 LYS 83 107.135 11.564 -9.725 696 HE2 LYS 83 HE2 LYS 83 107.863 12.588 -7.603 697 HE3 LYS 83 HE1 LYS 83 108.697 13.852 -8.496 698 HZ1 LYS 83 HZ1 LYS 83 105.836 13.442 -8.098 699 HZ2 LYS 83 HZ2 LYS 83 106.324 14.086 -9.585 700 HZ3 LYS 83 HZ3 LYS 83 106.725 14.882 -8.135 701 H SER 84 HN SER 84 112.653 8.204 -10.085 702 HA SER 84 HA SER 84 111.166 6.922 -7.916 703 HB2 SER 84 HB2 SER 84 111.365 4.761 -8.794 704 HB3 SER 84 HB1 SER 84 110.907 5.724 -10.194 705 HG SER 84 HG SER 84 112.860 5.506 -10.997 706 H TYR 85 HN TYR 85 114.228 7.546 -9.560 707 HA TYR 85 HA TYR 85 116.057 6.142 -8.039 708 HB2 TYR 85 HB2 TYR 85 117.700 7.519 -8.923 709 HB3 TYR 85 HB1 TYR 85 116.388 7.618 -10.083 710 HD1 TYR 85 HD1 TYR 85 114.508 9.511 -9.118 711 HD2 TYR 85 HD2 TYR 85 118.786 9.590 -8.724 712 HE1 TYR 85 HE1 TYR 85 114.447 11.984 -8.959 713 HE2 TYR 85 HE2 TYR 85 118.725 12.066 -8.554 714 HH TYR 85 HH TYR 85 115.978 13.893 -9.374 715 H ASP 86 HN ASP 86 114.635 6.417 -5.914 716 HA ASP 86 HA ASP 86 116.289 7.922 -4.114 717 HB2 ASP 86 HB2 ASP 86 114.494 9.338 -3.210 718 HB3 ASP 86 HB1 ASP 86 114.799 9.708 -4.905 719 H THR 87 HN THR 87 116.506 6.607 -2.385 720 HA THR 87 HA THR 87 114.563 4.503 -1.934 721 HB THR 87 HB THR 87 116.159 3.711 -0.261 722 HG1 THR 87 HG1 THR 87 117.700 4.969 0.479 723 HG21 THR 87 HG21 THR 87 116.592 3.186 -2.619 724 HG22 THR 87 HG22 THR 87 118.116 3.449 -1.770 725 HG23 THR 87 HG23 THR 87 117.455 4.710 -2.814 726 H GLY 88 HN GLY 88 112.951 4.463 -0.323 727 HA2 GLY 88 HA2 GLY 88 113.130 6.475 1.836 728 HA3 GLY 88 HA1 GLY 88 111.729 6.491 0.775 729 H GLU 89 HN GLU 89 110.457 6.139 2.699 730 HA GLU 89 HA GLU 89 110.183 3.263 3.304 731 HB2 GLU 89 HB2 GLU 89 111.583 4.219 5.113 732 HB3 GLU 89 HB1 GLU 89 110.303 5.384 5.462 733 HG2 GLU 89 HG2 GLU 89 108.745 3.558 5.973 734 HG3 GLU 89 HG1 GLU 89 109.984 2.373 5.566 735 H VAL 90 HN VAL 90 108.126 2.595 3.770 736 HA VAL 90 HA VAL 90 105.991 4.629 3.471 737 HB VAL 90 HB VAL 90 106.130 1.742 2.595 738 HG11 VAL 90 HG11 VAL 90 103.769 2.271 1.721 739 HG12 VAL 90 HG12 VAL 90 103.792 3.637 2.836 740 HG13 VAL 90 HG13 VAL 90 103.929 1.991 3.454 741 HG21 VAL 90 HG21 VAL 90 105.534 2.838 0.368 742 HG22 VAL 90 HG22 VAL 90 107.154 3.187 0.982 743 HG23 VAL 90 HG23 VAL 90 105.873 4.382 1.143 744 H LYS 91 HN LYS 91 104.641 4.831 5.134 745 HA LYS 91 HA LYS 91 104.417 2.603 7.086 746 HB2 LYS 91 HB2 LYS 91 105.731 4.560 7.970 747 HB3 LYS 91 HB1 LYS 91 104.297 5.556 7.744 748 HG2 LYS 91 HG2 LYS 91 103.008 4.109 9.232 749 HG3 LYS 91 HG1 LYS 91 104.393 3.030 9.418 750 HD2 LYS 91 HD2 LYS 91 104.600 5.956 10.136 751 HD3 LYS 91 HD1 LYS 91 103.962 4.791 11.286 752 HE2 LYS 91 HE2 LYS 91 106.100 3.450 10.949 753 HE3 LYS 91 HE1 LYS 91 106.727 4.830 10.047 754 HZ1 LYS 91 HZ1 LYS 91 107.354 5.630 12.013 755 HZ2 LYS 91 HZ2 LYS 91 106.440 4.485 12.875 756 HZ3 LYS 91 HZ3 LYS 91 105.711 5.925 12.332 757 H VAL 92 HN VAL 92 102.427 1.847 7.143 758 HA VAL 92 HA VAL 92 100.240 3.522 6.089 759 HB VAL 92 HB VAL 92 100.605 0.536 6.392 760 HG11 VAL 92 HG11 VAL 92 98.205 2.201 5.647 761 HG12 VAL 92 HG12 VAL 92 98.311 0.898 6.824 762 HG13 VAL 92 HG13 VAL 92 98.377 0.535 5.097 763 HG21 VAL 92 HG21 VAL 92 101.767 1.166 4.459 764 HG22 VAL 92 HG22 VAL 92 100.677 2.501 4.099 765 HG23 VAL 92 HG23 VAL 92 100.166 0.844 3.801 766 H THR 93 HN THR 93 98.594 4.130 7.304 767 HA THR 93 HA THR 93 98.233 2.813 9.949 768 HB THR 93 HB THR 93 99.312 4.804 10.546 769 HG1 THR 93 HG1 THR 93 96.597 5.574 10.487 770 HG21 THR 93 HG21 THR 93 99.515 6.057 8.586 771 HG22 THR 93 HG22 THR 93 98.371 7.026 9.527 772 HG23 THR 93 HG23 THR 93 97.789 5.988 8.234 773 H ALA 94 HN ALA 94 96.269 1.949 10.040 774 HA ALA 94 HA ALA 94 94.093 3.213 8.462 775 HB1 ALA 94 HB1 ALA 94 92.986 0.958 8.712 776 HB2 ALA 94 HB2 ALA 94 94.491 0.365 9.398 777 HB3 ALA 94 HB3 ALA 94 94.455 0.954 7.738 778 H GLU 95 HN GLU 95 91.984 3.373 9.431 779 HA GLU 95 HA GLU 95 91.686 2.752 12.223 780 HB2 GLU 95 HB2 GLU 95 91.217 5.206 12.831 781 HB3 GLU 95 HB1 GLU 95 92.902 4.695 12.706 782 HG2 GLU 95 HG2 GLU 95 92.987 5.572 10.403 783 HG3 GLU 95 HG1 GLU 95 91.314 6.094 10.537 784 H ASN 96 HN ASN 96 89.790 1.911 12.228 785 HA ASN 96 HA ASN 96 87.571 3.227 10.814 786 HB2 ASN 96 HB2 ASN 96 87.342 0.427 11.864 787 HB3 ASN 96 HB1 ASN 96 86.712 1.120 10.363 788 HD21 ASN 96 HD21 ASN 96 88.417 -1.376 10.766 789 HD22 ASN 96 HD22 ASN 96 89.788 -1.124 9.797 790 HA PRO 97 HA PRO 97 85.776 4.081 14.720 791 HB2 PRO 97 HB2 PRO 97 83.165 2.866 14.369 792 HB3 PRO 97 HB1 PRO 97 83.602 4.571 14.251 793 HG2 PRO 97 HG2 PRO 97 82.861 2.934 12.123 794 HG3 PRO 97 HG1 PRO 97 83.665 4.505 11.993 795 HD2 PRO 97 HD2 PRO 97 84.809 1.787 11.633 796 HD3 PRO 97 HD1 PRO 97 85.366 3.346 11.004 797 H GLU 98 HN GLU 98 85.722 0.701 13.822 798 HA GLU 98 HA GLU 98 85.054 -0.130 16.546 799 HB2 GLU 98 HB2 GLU 98 83.979 -1.204 14.635 800 HB3 GLU 98 HB1 GLU 98 85.547 -1.712 14.012 801 HG2 GLU 98 HG2 GLU 98 85.912 -3.084 16.006 802 HG3 GLU 98 HG1 GLU 98 84.390 -2.520 16.696 803 H GLY 99 HN GLY 99 87.926 0.624 14.885 804 HA2 GLY 99 HA2 GLY 99 89.548 -0.130 17.028 805 HA3 GLY 99 HA1 GLY 99 89.633 -1.427 15.839 806 H VAL 100 HN VAL 100 91.911 -0.729 15.895 807 HA VAL 100 HA VAL 100 92.438 1.113 13.688 808 HB VAL 100 HB VAL 100 94.260 2.220 15.025 809 HG11 VAL 100 HG11 VAL 100 92.759 3.779 16.116 810 HG12 VAL 100 HG12 VAL 100 91.484 2.570 16.205 811 HG13 VAL 100 HG13 VAL 100 91.976 3.223 14.639 812 HG21 VAL 100 HG21 VAL 100 92.815 0.838 17.314 813 HG22 VAL 100 HG22 VAL 100 94.091 2.039 17.493 814 HG23 VAL 100 HG23 VAL 100 94.446 0.477 16.763 815 H ILE 101 HN ILE 101 94.575 0.758 12.733 816 HA ILE 101 HA ILE 101 96.097 -1.546 13.745 817 HB ILE 101 HB ILE 101 95.451 -1.419 10.805 818 HG12 ILE 101 HG12 ILE 101 93.898 -2.985 12.893 819 HG13 ILE 101 HG11 ILE 101 93.288 -1.560 12.052 820 HG21 ILE 101 HG21 ILE 101 96.268 -3.661 12.694 821 HG22 ILE 101 HG22 ILE 101 97.347 -2.824 11.575 822 HG23 ILE 101 HG23 ILE 101 96.035 -3.825 10.955 823 HD11 ILE 101 HD11 ILE 101 92.430 -3.287 10.736 824 HD12 ILE 101 HD12 ILE 101 93.848 -4.305 10.966 825 HD13 ILE 101 HD13 ILE 101 93.927 -2.915 9.885 826 H GLU 102 HN GLU 102 98.234 -1.718 12.820 827 HA GLU 102 HA GLU 102 99.235 0.580 11.297 828 HB2 GLU 102 HB2 GLU 102 99.404 1.281 13.665 829 HB3 GLU 102 HB1 GLU 102 100.339 -0.167 14.023 830 HG2 GLU 102 HG2 GLU 102 101.892 1.653 13.705 831 HG3 GLU 102 HG1 GLU 102 102.039 0.591 12.315 832 H HIS 103 HN HIS 103 100.487 -0.208 9.763 833 HA HIS 103 HA HIS 103 102.201 -2.562 10.297 834 HB2 HIS 103 HB2 HIS 103 100.139 -2.175 8.159 835 HB3 HIS 103 HB1 HIS 103 101.639 -2.967 7.687 836 HD1 HIS 103 HD1 HIS 103 101.151 -5.393 7.637 837 HD2 HIS 103 HD2 HIS 103 99.482 -3.599 11.003 838 HE1 HIS 103 HE1 HIS 103 100.171 -7.261 9.024 839 H LYS 104 HN LYS 104 104.267 -2.207 9.768 840 HA LYS 104 HA LYS 104 104.897 0.127 8.050 841 HB2 LYS 104 HB2 LYS 104 106.951 0.348 9.246 842 HB3 LYS 104 HB1 LYS 104 105.678 0.159 10.444 843 HG2 LYS 104 HG2 LYS 104 106.244 -2.253 10.648 844 HG3 LYS 104 HG1 LYS 104 107.549 -2.043 9.484 845 HD2 LYS 104 HD2 LYS 104 108.578 -0.345 10.981 846 HD3 LYS 104 HD1 LYS 104 107.314 -0.660 12.167 847 HE2 LYS 104 HE2 LYS 104 109.289 -1.963 12.760 848 HE3 LYS 104 HE1 LYS 104 108.029 -3.064 12.216 849 HZ1 LYS 104 HZ1 LYS 104 110.234 -2.033 10.518 850 HZ2 LYS 104 HZ2 LYS 104 109.052 -3.157 10.049 851 HZ3 LYS 104 HZ3 LYS 104 110.196 -3.567 11.231 852 H VAL 105 HN VAL 105 106.086 -0.104 6.256 853 HA VAL 105 HA VAL 105 107.550 -2.592 5.748 854 HB VAL 105 HB VAL 105 105.307 -2.960 4.782 855 HG11 VAL 105 HG11 VAL 105 104.526 -1.552 2.928 856 HG12 VAL 105 HG12 VAL 105 105.922 -0.500 3.130 857 HG13 VAL 105 HG13 VAL 105 104.704 -0.599 4.401 858 HG21 VAL 105 HG21 VAL 105 107.444 -2.431 2.700 859 HG22 VAL 105 HG22 VAL 105 106.044 -3.487 2.497 860 HG23 VAL 105 HG23 VAL 105 107.300 -3.897 3.665 861 H LYS 106 HN LYS 106 109.418 -2.223 4.616 862 HA LYS 106 HA LYS 106 110.038 0.600 4.044 863 HB2 LYS 106 HB2 LYS 106 111.775 -1.852 4.348 864 HB3 LYS 106 HB1 LYS 106 112.382 -0.244 3.954 865 HG2 LYS 106 HG2 LYS 106 111.504 0.663 6.028 866 HG3 LYS 106 HG1 LYS 106 110.731 -0.876 6.412 867 HD2 LYS 106 HD2 LYS 106 112.702 -1.016 7.677 868 HD3 LYS 106 HD1 LYS 106 113.178 -1.847 6.195 869 HE2 LYS 106 HE2 LYS 106 114.887 -0.192 6.897 870 HE3 LYS 106 HE1 LYS 106 114.186 0.223 5.331 871 HZ1 LYS 106 HZ1 LYS 106 112.891 1.312 7.715 872 HZ2 LYS 106 HZ2 LYS 106 113.096 2.000 6.177 873 HZ3 LYS 106 HZ3 LYS 106 114.388 1.974 7.278 874 H LEU 107 HN LEU 107 110.240 1.397 2.052 875 HA LEU 107 HA LEU 107 110.572 -0.477 -0.246 876 HB2 LEU 107 HB2 LEU 107 108.954 2.069 0.017 877 HB3 LEU 107 HB1 LEU 107 109.494 1.503 -1.549 878 HG LEU 107 HG LEU 107 107.161 0.809 -0.958 879 HD11 LEU 107 HD11 LEU 107 108.860 -0.518 -2.461 880 HD12 LEU 107 HD12 LEU 107 107.331 -1.261 -1.989 881 HD13 LEU 107 HD13 LEU 107 108.814 -1.694 -1.147 882 HD21 LEU 107 HD21 LEU 107 106.663 -0.620 0.797 883 HD22 LEU 107 HD22 LEU 107 107.934 0.362 1.528 884 HD23 LEU 107 HD23 LEU 107 108.304 -1.244 0.905 885 H GLU 108 HN GLU 108 112.564 -0.182 -1.235 886 HA GLU 108 HA GLU 108 113.673 2.556 -1.217 887 HB2 GLU 108 HB2 GLU 108 115.930 1.487 -0.886 888 HB3 GLU 108 HB1 GLU 108 114.870 1.423 0.517 889 HG2 GLU 108 HG2 GLU 108 114.205 -0.878 -0.091 890 HG3 GLU 108 HG1 GLU 108 115.281 -0.809 -1.483 891 H ILE 109 HN ILE 109 114.233 3.223 -3.200 892 HA ILE 109 HA ILE 109 114.657 1.150 -5.291 893 HB ILE 109 HB ILE 109 112.581 2.196 -5.668 894 HG12 ILE 109 HG12 ILE 109 114.039 1.979 -7.688 895 HG13 ILE 109 HG11 ILE 109 112.807 3.210 -7.825 896 HG21 ILE 109 HG21 ILE 109 112.824 4.081 -4.187 897 HG22 ILE 109 HG22 ILE 109 112.295 4.631 -5.771 898 HG23 ILE 109 HG23 ILE 109 113.985 4.823 -5.286 899 HD11 ILE 109 HD11 ILE 109 114.977 4.611 -6.840 900 HD12 ILE 109 HD12 ILE 109 114.475 4.530 -8.519 901 HD13 ILE 109 HD13 ILE 109 115.698 3.430 -7.922 902 H GLN 110 HN GLN 110 116.519 1.063 -6.084 903 HA GLN 110 HA GLN 110 118.513 3.184 -5.577 904 HB2 GLN 110 HB2 GLN 110 120.100 1.314 -6.479 905 HB3 GLN 110 HB1 GLN 110 119.388 1.152 -4.888 906 HG2 GLN 110 HG2 GLN 110 117.755 0.072 -7.141 907 HG3 GLN 110 HG1 GLN 110 119.235 -0.809 -6.764 908 HE21 GLN 110 HE21 GLN 110 117.086 0.914 -4.432 909 HE22 GLN 110 HE22 GLN 110 116.687 -0.486 -3.557 910 H GLN 111 HN GLN 111 119.665 1.381 -8.149 911 HA GLN 111 HA GLN 111 118.553 3.050 -10.266 912 HB2 GLN 111 HB2 GLN 111 121.443 3.199 -9.383 913 HB3 GLN 111 HB1 GLN 111 120.884 3.763 -10.954 914 HG2 GLN 111 HG2 GLN 111 120.800 5.732 -9.707 915 HG3 GLN 111 HG1 GLN 111 119.146 5.156 -9.556 916 HE21 GLN 111 HE21 GLN 111 121.921 3.746 -7.796 917 HE22 GLN 111 HE22 GLN 111 121.387 4.238 -6.261 918 H LEU 112 HN LEU 112 119.043 2.345 -12.366 919 HA LEU 112 HA LEU 112 119.302 -0.446 -12.713 920 HB2 LEU 112 HB2 LEU 112 118.348 1.451 -14.297 921 HB3 LEU 112 HB1 LEU 112 119.992 1.499 -14.905 922 HG LEU 112 HG LEU 112 118.758 -0.004 -16.311 923 HD11 LEU 112 HD11 LEU 112 120.237 -1.851 -14.438 924 HD12 LEU 112 HD12 LEU 112 121.080 -0.702 -15.478 925 HD13 LEU 112 HD13 LEU 112 120.074 -1.961 -16.189 926 HD21 LEU 112 HD21 LEU 112 117.023 -0.444 -14.362 927 HD22 LEU 112 HD22 LEU 112 118.042 -1.849 -14.043 928 HD23 LEU 112 HD23 LEU 112 117.278 -1.651 -15.619 929 H GLU 113 HN GLU 113 121.640 2.214 -13.184 930 HA GLU 113 HA GLU 113 123.781 0.597 -14.065 931 HB2 GLU 113 HB2 GLU 113 123.665 3.124 -14.177 932 HB3 GLU 113 HB1 GLU 113 124.039 3.148 -12.456 933 HG2 GLU 113 HG2 GLU 113 126.132 3.407 -13.564 934 HG3 GLU 113 HG1 GLU 113 126.093 1.727 -13.018 935 H HIS 114 HN HIS 114 125.428 -0.428 -12.976 936 HA HIS 114 HA HIS 114 124.833 -1.209 -10.232 937 HB2 HIS 114 HB2 HIS 114 126.893 -2.674 -10.600 938 HB3 HIS 114 HB1 HIS 114 125.505 -3.008 -11.639 939 HD1 HIS 114 HD1 HIS 114 128.871 -1.279 -11.681 940 HD2 HIS 114 HD2 HIS 114 125.962 -2.554 -14.383 941 HE1 HIS 114 HE1 HIS 114 129.864 -0.991 -13.992 942 H HIS 115 HN HIS 115 125.975 -0.601 -8.457 943 HA HIS 115 HA HIS 115 127.541 1.748 -8.564 944 HB2 HIS 115 HB2 HIS 115 128.101 1.051 -6.150 945 HB3 HIS 115 HB1 HIS 115 126.408 1.336 -6.540 946 HD1 HIS 115 HD1 HIS 115 127.205 -1.740 -8.133 947 HD2 HIS 115 HD2 HIS 115 126.383 -0.654 -4.195 948 HE1 HIS 115 HE1 HIS 115 126.614 -3.878 -6.908 949 H HIS 116 HN HIS 116 128.391 -1.698 -8.358 950 HA HIS 116 HA HIS 116 130.986 -1.160 -9.514 951 HB2 HIS 116 HB2 HIS 116 130.802 -2.327 -6.729 952 HB3 HIS 116 HB1 HIS 116 132.272 -2.218 -7.702 953 HD1 HIS 116 HD1 HIS 116 133.095 0.268 -8.292 954 HD2 HIS 116 HD2 HIS 116 130.123 0.012 -5.380 955 HE1 HIS 116 HE1 HIS 116 133.043 2.513 -7.120 956 H HIS 117 HN HIS 117 131.917 -2.986 -10.426 957 HA HIS 117 HA HIS 117 130.503 -5.567 -10.086 958 HB2 HIS 117 HB2 HIS 117 129.857 -4.350 -12.248 959 HB3 HIS 117 HB1 HIS 117 131.525 -4.587 -12.764 960 HD1 HIS 117 HD1 HIS 117 132.034 -6.780 -13.859 961 HD2 HIS 117 HD2 HIS 117 128.534 -6.959 -11.600 962 HE1 HIS 117 HE1 HIS 117 131.012 -9.056 -14.297 963 H HIS 118 HN HIS 118 131.892 -7.071 -9.452 964 HA HIS 118 HA HIS 118 134.754 -6.804 -10.206 965 HB2 HIS 118 HB2 HIS 118 133.564 -7.874 -7.631 966 HB3 HIS 118 HB1 HIS 118 135.270 -7.960 -8.067 967 HD1 HIS 118 HD1 HIS 118 136.294 -5.436 -8.761 968 HD2 HIS 118 HD2 HIS 118 132.980 -5.550 -6.231 969 HE1 HIS 118 HE1 HIS 118 136.205 -3.190 -7.593 970 H HIS 119 HN HIS 119 133.070 -9.439 -8.553 971 HA HIS 119 HA HIS 119 132.989 -11.113 -10.903 972 HB2 HIS 119 HB2 HIS 119 134.605 -12.765 -10.183 973 HB3 HIS 119 HB1 HIS 119 135.408 -11.197 -10.250 974 HD1 HIS 119 HD1 HIS 119 134.851 -9.896 -7.666 975 HD2 HIS 119 HD2 HIS 119 135.513 -14.008 -7.877 976 HE1 HIS 119 HE1 HIS 119 135.538 -10.632 -5.342 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 65.830 19.160 -9.833 2 H2 ARG 1 HT2 ARG 1 64.480 19.826 -10.623 3 H3 ARG 1 HT3 ARG 1 64.402 18.256 -9.981 4 HA ARG 1 HA ARG 1 65.128 20.231 -8.029 5 HB2 ARG 1 HB2 ARG 1 63.610 21.561 -9.489 6 HB3 ARG 1 HB1 ARG 1 62.370 20.321 -9.286 7 HG2 ARG 1 HG2 ARG 1 62.386 20.691 -6.851 8 HG3 ARG 1 HG1 ARG 1 63.635 21.921 -7.042 9 HD2 ARG 1 HD2 ARG 1 61.463 23.012 -6.874 10 HD3 ARG 1 HD1 ARG 1 62.089 23.213 -8.509 11 HE ARG 1 HE ARG 1 60.474 20.881 -8.383 12 HH11 ARG 1 HH11 ARG 1 59.927 22.398 -10.680 13 HH12 ARG 1 HH12 ARG 1 58.506 23.322 -10.323 14 HH21 ARG 1 HH21 ARG 1 58.772 22.904 -6.893 15 HH22 ARG 1 HH22 ARG 1 57.853 23.608 -8.183 16 H MET 2 HN MET 2 64.661 19.366 -6.078 17 HA MET 2 HA MET 2 63.561 16.671 -6.010 18 HB2 MET 2 HB2 MET 2 64.790 18.436 -3.879 19 HB3 MET 2 HB1 MET 2 64.232 16.786 -3.602 20 HG2 MET 2 HG2 MET 2 65.789 15.940 -5.286 21 HG3 MET 2 HG1 MET 2 66.311 17.583 -5.659 22 HE1 MET 2 HE1 MET 2 68.314 15.852 -5.394 23 HE2 MET 2 HE2 MET 2 69.363 16.008 -3.988 24 HE3 MET 2 HE3 MET 2 68.999 17.427 -4.969 25 H ALA 3 HN ALA 3 61.664 16.056 -5.082 26 HA ALA 3 HA ALA 3 59.749 18.188 -4.414 27 HB1 ALA 3 HB1 ALA 3 59.259 15.224 -4.784 28 HB2 ALA 3 HB2 ALA 3 59.142 16.419 -6.076 29 HB3 ALA 3 HB3 ALA 3 58.044 16.500 -4.698 30 H HIS 4 HN HIS 4 58.519 18.135 -2.493 31 HA HIS 4 HA HIS 4 59.962 17.404 -0.165 32 HB2 HIS 4 HB2 HIS 4 58.307 19.262 -0.280 33 HB3 HIS 4 HB1 HIS 4 57.017 18.065 -0.394 34 HD1 HIS 4 HD1 HIS 4 55.973 17.645 1.822 35 HD2 HIS 4 HD2 HIS 4 60.042 18.477 2.194 36 HE1 HIS 4 HE1 HIS 4 56.512 17.510 4.295 37 H GLU 5 HN GLU 5 57.284 15.904 -1.914 38 HA GLU 5 HA GLU 5 57.037 13.742 0.023 39 HB2 GLU 5 HB2 GLU 5 55.517 12.905 -2.077 40 HB3 GLU 5 HB1 GLU 5 54.930 14.033 -0.856 41 HG2 GLU 5 HG2 GLU 5 56.350 14.980 -3.348 42 HG3 GLU 5 HG1 GLU 5 54.606 14.720 -3.304 43 H GLY 6 HN GLY 6 58.968 14.478 -2.661 44 HA2 GLY 6 HA2 GLY 6 59.356 11.840 -3.706 45 HA3 GLY 6 HA1 GLY 6 60.384 13.238 -4.000 46 H ALA 7 HN ALA 7 59.693 10.617 -1.745 47 HA ALA 7 HA ALA 7 61.773 11.116 0.091 48 HB1 ALA 7 HB1 ALA 7 60.008 9.562 0.648 49 HB2 ALA 7 HB2 ALA 7 61.536 8.681 0.641 50 HB3 ALA 7 HB3 ALA 7 60.428 8.534 -0.722 51 H LEU 8 HN LEU 8 63.886 10.653 0.100 52 HA LEU 8 HA LEU 8 65.078 9.552 -2.370 53 HB2 LEU 8 HB2 LEU 8 66.260 11.217 -0.129 54 HB3 LEU 8 HB1 LEU 8 67.157 10.637 -1.532 55 HG LEU 8 HG LEU 8 64.661 12.350 -1.716 56 HD11 LEU 8 HD11 LEU 8 66.491 13.572 -0.596 57 HD12 LEU 8 HD12 LEU 8 66.176 14.226 -2.203 58 HD13 LEU 8 HD13 LEU 8 67.569 13.178 -1.935 59 HD21 LEU 8 HD21 LEU 8 64.858 11.356 -3.814 60 HD22 LEU 8 HD22 LEU 8 66.610 11.200 -3.705 61 HD23 LEU 8 HD23 LEU 8 65.882 12.768 -4.049 62 H THR 9 HN THR 9 66.253 7.696 -2.345 63 HA THR 9 HA THR 9 65.971 5.898 -0.177 64 HB THR 9 HB THR 9 66.226 4.861 -2.267 65 HG1 THR 9 HG1 THR 9 68.125 4.547 -0.426 66 HG21 THR 9 HG21 THR 9 67.083 6.528 -3.680 67 HG22 THR 9 HG22 THR 9 68.392 5.347 -3.621 68 HG23 THR 9 HG23 THR 9 68.487 6.817 -2.650 69 H GLY 10 HN GLY 10 67.608 4.939 1.130 70 HA2 GLY 10 HA2 GLY 10 70.194 6.211 1.382 71 HA3 GLY 10 HA1 GLY 10 69.093 6.552 2.714 72 H VAL 11 HN VAL 11 71.151 4.205 1.238 73 HA VAL 11 HA VAL 11 70.248 1.885 2.577 74 HB VAL 11 HB VAL 11 71.730 1.563 0.747 75 HG11 VAL 11 HG11 VAL 11 74.172 2.462 1.028 76 HG12 VAL 11 HG12 VAL 11 73.443 3.592 2.168 77 HG13 VAL 11 HG13 VAL 11 72.909 3.565 0.486 78 HG21 VAL 11 HG21 VAL 11 72.070 0.077 2.775 79 HG22 VAL 11 HG22 VAL 11 73.449 1.088 3.203 80 HG23 VAL 11 HG23 VAL 11 73.459 0.175 1.694 81 H THR 12 HN THR 12 71.276 0.812 4.398 82 HA THR 12 HA THR 12 71.402 2.435 6.665 83 HB THR 12 HB THR 12 72.072 0.473 7.860 84 HG1 THR 12 HG1 THR 12 73.718 -0.423 6.855 85 HG21 THR 12 HG21 THR 12 70.531 -0.573 5.478 86 HG22 THR 12 HG22 THR 12 69.803 0.510 6.666 87 HG23 THR 12 HG23 THR 12 70.398 -1.073 7.164 88 H THR 13 HN THR 13 72.863 4.187 6.215 89 HA THR 13 HA THR 13 75.553 3.877 5.478 90 HB THR 13 HB THR 13 75.782 6.171 6.524 91 HG1 THR 13 HG1 THR 13 73.247 6.715 6.842 92 HG21 THR 13 HG21 THR 13 73.950 7.177 4.984 93 HG22 THR 13 HG22 THR 13 73.615 5.509 4.533 94 HG23 THR 13 HG23 THR 13 75.209 6.197 4.237 95 H ASP 14 HN ASP 14 74.714 5.205 8.636 96 HA ASP 14 HA ASP 14 77.020 3.995 9.851 97 HB2 ASP 14 HB2 ASP 14 76.218 6.214 10.545 98 HB3 ASP 14 HB1 ASP 14 74.711 5.494 11.110 99 H GLN 15 HN GLN 15 77.146 2.043 10.721 100 HA GLN 15 HA GLN 15 74.680 0.724 11.711 101 HB2 GLN 15 HB2 GLN 15 75.574 -1.412 10.843 102 HB3 GLN 15 HB1 GLN 15 75.268 -0.254 9.548 103 HG2 GLN 15 HG2 GLN 15 77.670 0.391 9.598 104 HG3 GLN 15 HG1 GLN 15 77.954 -0.843 10.824 105 HE21 GLN 15 HE21 GLN 15 76.728 -3.082 9.985 106 HE22 GLN 15 HE22 GLN 15 77.201 -3.526 8.418 107 H LYS 16 HN LYS 16 75.169 -1.097 13.200 108 HA LYS 16 HA LYS 16 77.598 -0.573 14.831 109 HB2 LYS 16 HB2 LYS 16 74.777 -1.218 15.717 110 HB3 LYS 16 HB1 LYS 16 76.176 -1.286 16.787 111 HG2 LYS 16 HG2 LYS 16 76.648 1.089 16.336 112 HG3 LYS 16 HG1 LYS 16 75.267 1.164 15.242 113 HD2 LYS 16 HD2 LYS 16 73.746 0.613 17.089 114 HD3 LYS 16 HD1 LYS 16 75.116 0.476 18.192 115 HE2 LYS 16 HE2 LYS 16 74.231 2.670 18.530 116 HE3 LYS 16 HE1 LYS 16 75.689 2.885 17.563 117 HZ1 LYS 16 HZ1 LYS 16 73.237 3.833 16.928 118 HZ2 LYS 16 HZ2 LYS 16 73.331 2.419 15.991 119 HZ3 LYS 16 HZ3 LYS 16 74.520 3.624 15.838 120 H GLU 17 HN GLU 17 76.579 -2.626 12.679 121 HA GLU 17 HA GLU 17 76.551 -5.143 14.012 122 HB2 GLU 17 HB2 GLU 17 75.592 -4.771 11.749 123 HB3 GLU 17 HB1 GLU 17 77.221 -4.514 11.123 124 HG2 GLU 17 HG2 GLU 17 76.617 -6.805 10.672 125 HG3 GLU 17 HG1 GLU 17 77.820 -6.824 11.958 126 H LYS 18 HN LYS 18 78.185 -6.389 14.676 127 HA LYS 18 HA LYS 18 80.862 -5.338 14.651 128 HB2 LYS 18 HB2 LYS 18 79.706 -7.939 15.675 129 HB3 LYS 18 HB1 LYS 18 81.393 -7.459 15.875 130 HG2 LYS 18 HG2 LYS 18 80.733 -5.464 17.103 131 HG3 LYS 18 HG1 LYS 18 79.031 -5.801 16.804 132 HD2 LYS 18 HD2 LYS 18 79.341 -6.613 18.986 133 HD3 LYS 18 HD1 LYS 18 79.494 -8.069 18.005 134 HE2 LYS 18 HE2 LYS 18 81.293 -7.892 19.719 135 HE3 LYS 18 HE1 LYS 18 81.941 -7.895 18.081 136 HZ1 LYS 18 HZ1 LYS 18 82.623 -5.777 18.253 137 HZ2 LYS 18 HZ2 LYS 18 82.561 -6.071 19.927 138 HZ3 LYS 18 HZ3 LYS 18 81.270 -5.286 19.150 139 H GLN 19 HN GLN 19 82.544 -5.882 13.387 140 HA GLN 19 HA GLN 19 82.384 -8.248 11.648 141 HB2 GLN 19 HB2 GLN 19 82.926 -5.420 10.690 142 HB3 GLN 19 HB1 GLN 19 83.211 -6.872 9.731 143 HG2 GLN 19 HG2 GLN 19 80.826 -7.465 9.900 144 HG3 GLN 19 HG1 GLN 19 80.532 -6.027 10.877 145 HE21 GLN 19 HE21 GLN 19 79.597 -6.830 8.035 146 HE22 GLN 19 HE22 GLN 19 80.001 -5.481 7.088 147 H LYS 20 HN LYS 20 84.493 -8.946 10.930 148 HA LYS 20 HA LYS 20 86.610 -8.245 12.810 149 HB2 LYS 20 HB2 LYS 20 86.741 -10.239 10.559 150 HB3 LYS 20 HB1 LYS 20 87.737 -10.175 12.012 151 HG2 LYS 20 HG2 LYS 20 85.738 -10.637 13.398 152 HG3 LYS 20 HG1 LYS 20 84.755 -10.726 11.935 153 HD2 LYS 20 HD2 LYS 20 86.345 -12.538 11.118 154 HD3 LYS 20 HD1 LYS 20 87.022 -12.561 12.745 155 HE2 LYS 20 HE2 LYS 20 84.733 -13.018 13.643 156 HE3 LYS 20 HE1 LYS 20 84.141 -13.120 11.985 157 HZ1 LYS 20 HZ1 LYS 20 86.114 -14.797 11.766 158 HZ2 LYS 20 HZ2 LYS 20 84.617 -15.296 12.396 159 HZ3 LYS 20 HZ3 LYS 20 85.910 -14.946 13.442 160 HA PRO 21 HA PRO 21 88.197 -5.588 9.412 161 HB2 PRO 21 HB2 PRO 21 90.165 -4.432 11.215 162 HB3 PRO 21 HB1 PRO 21 88.726 -3.662 10.529 163 HG2 PRO 21 HG2 PRO 21 89.085 -4.333 13.206 164 HG3 PRO 21 HG1 PRO 21 87.537 -3.961 12.429 165 HD2 PRO 21 HD2 PRO 21 88.652 -6.612 13.216 166 HD3 PRO 21 HD1 PRO 21 86.970 -6.086 13.047 167 H ASP 22 HN ASP 22 90.278 -5.492 8.272 168 HA ASP 22 HA ASP 22 92.576 -6.816 9.247 169 HB2 ASP 22 HB2 ASP 22 90.964 -8.770 8.802 170 HB3 ASP 22 HB1 ASP 22 91.218 -8.426 7.094 171 H ILE 23 HN ILE 23 93.799 -5.250 8.440 172 HA ILE 23 HA ILE 23 93.518 -4.349 5.710 173 HB ILE 23 HB ILE 23 95.451 -2.848 6.264 174 HG12 ILE 23 HG12 ILE 23 95.652 -2.779 8.973 175 HG13 ILE 23 HG11 ILE 23 95.356 -4.498 8.778 176 HG21 ILE 23 HG21 ILE 23 94.114 -1.357 7.517 177 HG22 ILE 23 HG22 ILE 23 93.277 -2.664 8.351 178 HG23 ILE 23 HG23 ILE 23 92.950 -2.353 6.650 179 HD11 ILE 23 HD11 ILE 23 97.511 -2.994 7.276 180 HD12 ILE 23 HD12 ILE 23 97.271 -4.738 7.349 181 HD13 ILE 23 HD13 ILE 23 97.780 -3.861 8.783 182 H VAL 24 HN VAL 24 94.929 -4.491 4.045 183 HA VAL 24 HA VAL 24 96.979 -6.632 4.220 184 HB VAL 24 HB VAL 24 95.062 -5.892 2.000 185 HG11 VAL 24 HG11 VAL 24 96.223 -7.834 0.799 186 HG12 VAL 24 HG12 VAL 24 97.531 -7.640 1.965 187 HG13 VAL 24 HG13 VAL 24 97.123 -6.318 0.870 188 HG21 VAL 24 HG21 VAL 24 94.212 -7.380 3.785 189 HG22 VAL 24 HG22 VAL 24 95.572 -8.470 3.517 190 HG23 VAL 24 HG23 VAL 24 94.365 -8.237 2.252 191 H LEU 25 HN LEU 25 98.985 -6.213 3.419 192 HA LEU 25 HA LEU 25 99.458 -3.881 1.729 193 HB2 LEU 25 HB2 LEU 25 101.406 -3.217 3.300 194 HB3 LEU 25 HB1 LEU 25 99.787 -2.738 3.750 195 HG LEU 25 HG LEU 25 101.243 -3.722 5.597 196 HD11 LEU 25 HD11 LEU 25 98.839 -5.478 5.461 197 HD12 LEU 25 HD12 LEU 25 98.555 -3.742 5.360 198 HD13 LEU 25 HD13 LEU 25 99.416 -4.414 6.740 199 HD21 LEU 25 HD21 LEU 25 100.581 -6.364 4.272 200 HD22 LEU 25 HD22 LEU 25 101.523 -6.106 5.733 201 HD23 LEU 25 HD23 LEU 25 102.165 -5.588 4.178 202 H TYR 26 HN TYR 26 102.360 -4.013 2.187 203 HA TYR 26 HA TYR 26 102.915 -6.639 0.915 204 HB2 TYR 26 HB2 TYR 26 103.665 -3.910 0.201 205 HB3 TYR 26 HB1 TYR 26 105.104 -4.904 0.413 206 HD1 TYR 26 HD1 TYR 26 104.909 -7.352 -0.663 207 HD2 TYR 26 HD2 TYR 26 102.633 -3.927 -1.906 208 HE1 TYR 26 HE1 TYR 26 104.501 -8.421 -2.865 209 HE2 TYR 26 HE2 TYR 26 102.228 -4.995 -4.108 210 HH TYR 26 HH TYR 26 103.577 -6.871 -5.521 211 HA PRO 27 HA PRO 27 105.047 -6.802 4.976 212 HB2 PRO 27 HB2 PRO 27 105.182 -9.692 4.744 213 HB3 PRO 27 HB1 PRO 27 104.207 -8.732 5.865 214 HG2 PRO 27 HG2 PRO 27 103.265 -10.237 3.679 215 HG3 PRO 27 HG1 PRO 27 102.340 -9.082 4.648 216 HD2 PRO 27 HD2 PRO 27 103.398 -8.769 1.914 217 HD3 PRO 27 HD1 PRO 27 102.166 -7.814 2.760 218 H GLU 28 HN GLU 28 105.812 -7.938 1.840 219 HA GLU 28 HA GLU 28 108.589 -8.604 2.496 220 HB2 GLU 28 HB2 GLU 28 107.077 -8.697 -0.121 221 HB3 GLU 28 HB1 GLU 28 108.720 -9.286 0.136 222 HG2 GLU 28 HG2 GLU 28 107.913 -10.908 1.782 223 HG3 GLU 28 HG1 GLU 28 106.272 -10.288 1.618 224 HA PRO 29 HA PRO 29 109.516 -4.284 1.406 225 HB2 PRO 29 HB2 PRO 29 112.365 -4.871 1.340 226 HB3 PRO 29 HB1 PRO 29 111.468 -3.938 2.545 227 HG2 PRO 29 HG2 PRO 29 112.580 -6.538 2.843 228 HG3 PRO 29 HG1 PRO 29 111.602 -5.642 4.010 229 HD2 PRO 29 HD2 PRO 29 110.831 -7.954 2.431 230 HD3 PRO 29 HD1 PRO 29 109.893 -7.111 3.680 231 H VAL 30 HN VAL 30 110.044 -3.268 -0.587 232 HA VAL 30 HA VAL 30 111.054 -5.041 -2.744 233 HB VAL 30 HB VAL 30 108.612 -3.251 -2.869 234 HG11 VAL 30 HG11 VAL 30 110.146 -4.621 -5.094 235 HG12 VAL 30 HG12 VAL 30 109.855 -2.889 -4.921 236 HG13 VAL 30 HG13 VAL 30 108.515 -3.978 -5.270 237 HG21 VAL 30 HG21 VAL 30 107.581 -5.402 -3.669 238 HG22 VAL 30 HG22 VAL 30 108.142 -5.457 -1.997 239 HG23 VAL 30 HG23 VAL 30 109.097 -6.213 -3.272 240 H ARG 31 HN ARG 31 112.572 -4.188 -3.980 241 HA ARG 31 HA ARG 31 113.037 -1.270 -3.950 242 HB2 ARG 31 HB2 ARG 31 115.486 -1.824 -4.014 243 HB3 ARG 31 HB1 ARG 31 114.702 -2.294 -2.505 244 HG2 ARG 31 HG2 ARG 31 114.445 -4.604 -3.416 245 HG3 ARG 31 HG1 ARG 31 115.348 -4.106 -4.847 246 HD2 ARG 31 HD2 ARG 31 116.381 -3.971 -1.999 247 HD3 ARG 31 HD1 ARG 31 116.807 -5.213 -3.174 248 HE ARG 31 HE ARG 31 117.359 -2.701 -4.315 249 HH11 ARG 31 HH11 ARG 31 118.711 -1.496 -2.319 250 HH12 ARG 31 HH12 ARG 31 120.200 -2.340 -2.062 251 HH21 ARG 31 HH21 ARG 31 119.175 -5.201 -3.726 252 HH22 ARG 31 HH22 ARG 31 120.464 -4.436 -2.857 253 H VAL 32 HN VAL 32 113.468 -0.375 -5.948 254 HA VAL 32 HA VAL 32 113.842 -2.235 -8.235 255 HB VAL 32 HB VAL 32 111.446 -1.221 -7.864 256 HG11 VAL 32 HG11 VAL 32 111.065 0.973 -8.726 257 HG12 VAL 32 HG12 VAL 32 112.711 1.097 -9.348 258 HG13 VAL 32 HG13 VAL 32 112.420 1.128 -7.612 259 HG21 VAL 32 HG21 VAL 32 111.303 -0.880 -10.434 260 HG22 VAL 32 HG22 VAL 32 111.823 -2.453 -9.833 261 HG23 VAL 32 HG23 VAL 32 113.012 -1.304 -10.436 262 H LEU 33 HN LEU 33 114.773 -1.175 -10.164 263 HA LEU 33 HA LEU 33 116.798 0.802 -9.361 264 HB2 LEU 33 HB2 LEU 33 116.616 -0.833 -11.902 265 HB3 LEU 33 HB1 LEU 33 118.005 0.093 -11.330 266 HG LEU 33 HG LEU 33 116.776 -2.312 -9.948 267 HD11 LEU 33 HD11 LEU 33 118.176 -2.649 -12.072 268 HD12 LEU 33 HD12 LEU 33 118.709 -3.519 -10.634 269 HD13 LEU 33 HD13 LEU 33 119.543 -2.049 -11.134 270 HD21 LEU 33 HD21 LEU 33 119.016 -2.023 -8.592 271 HD22 LEU 33 HD22 LEU 33 117.623 -1.030 -8.174 272 HD23 LEU 33 HD23 LEU 33 118.926 -0.351 -9.150 273 H GLU 34 HN GLU 34 116.807 2.827 -10.052 274 HA GLU 34 HA GLU 34 114.783 4.270 -11.075 275 HB2 GLU 34 HB2 GLU 34 116.964 5.211 -10.347 276 HB3 GLU 34 HB1 GLU 34 117.676 4.676 -11.867 277 HG2 GLU 34 HG2 GLU 34 116.042 6.094 -13.107 278 HG3 GLU 34 HG1 GLU 34 115.403 6.662 -11.567 279 H GLY 35 HN GLY 35 113.583 4.267 -12.874 280 HA2 GLY 35 HA2 GLY 35 113.449 4.523 -15.279 281 HA3 GLY 35 HA1 GLY 35 114.845 3.463 -15.442 282 H GLU 36 HN GLU 36 112.828 2.341 -13.036 283 HA GLU 36 HA GLU 36 111.384 0.497 -14.867 284 HB2 GLU 36 HB2 GLU 36 112.934 -0.020 -12.345 285 HB3 GLU 36 HB1 GLU 36 111.573 -1.062 -12.749 286 HG2 GLU 36 HG2 GLU 36 113.757 -1.930 -13.583 287 HG3 GLU 36 HG1 GLU 36 112.586 -1.650 -14.871 288 H THR 37 HN THR 37 109.210 0.570 -14.624 289 HA THR 37 HA THR 37 108.052 2.237 -12.561 290 HB THR 37 HB THR 37 106.008 1.954 -13.707 291 HG1 THR 37 HG1 THR 37 106.780 -0.524 -13.876 292 HG21 THR 37 HG21 THR 37 107.833 3.074 -15.036 293 HG22 THR 37 HG22 THR 37 106.553 2.367 -16.020 294 HG23 THR 37 HG23 THR 37 108.099 1.535 -15.854 295 H ALA 38 HN ALA 38 106.408 1.468 -11.039 296 HA ALA 38 HA ALA 38 106.617 -1.416 -10.390 297 HB1 ALA 38 HB1 ALA 38 106.552 0.573 -8.152 298 HB2 ALA 38 HB2 ALA 38 108.082 0.282 -8.974 299 HB3 ALA 38 HB3 ALA 38 107.233 -1.050 -8.191 300 H ARG 39 HN ARG 39 104.976 -2.043 -8.730 301 HA ARG 39 HA ARG 39 102.505 -0.451 -8.798 302 HB2 ARG 39 HB2 ARG 39 102.690 -3.300 -9.812 303 HB3 ARG 39 HB1 ARG 39 101.183 -2.448 -9.484 304 HG2 ARG 39 HG2 ARG 39 101.744 -0.756 -11.175 305 HG3 ARG 39 HG1 ARG 39 103.288 -1.554 -11.478 306 HD2 ARG 39 HD2 ARG 39 101.690 -2.249 -13.179 307 HD3 ARG 39 HD1 ARG 39 102.070 -3.614 -12.135 308 HE ARG 39 HE ARG 39 99.888 -3.531 -11.272 309 HH11 ARG 39 HH11 ARG 39 98.933 -3.041 -14.002 310 HH12 ARG 39 HH12 ARG 39 97.993 -1.593 -13.852 311 HH21 ARG 39 HH21 ARG 39 99.364 -0.700 -10.799 312 HH22 ARG 39 HH22 ARG 39 98.236 -0.269 -12.042 313 H PHE 40 HN PHE 40 101.637 -0.452 -6.841 314 HA PHE 40 HA PHE 40 101.997 -2.811 -5.083 315 HB2 PHE 40 HB2 PHE 40 102.241 0.081 -4.251 316 HB3 PHE 40 HB1 PHE 40 102.290 -1.303 -3.170 317 HD1 PHE 40 HD1 PHE 40 104.050 -3.167 -3.806 318 HD2 PHE 40 HD2 PHE 40 104.268 0.928 -5.083 319 HE1 PHE 40 HE1 PHE 40 106.483 -3.419 -4.204 320 HE2 PHE 40 HE2 PHE 40 106.702 0.674 -5.482 321 HZ PHE 40 HZ PHE 40 107.810 -1.501 -5.041 322 H ARG 41 HN ARG 41 100.290 -3.185 -3.662 323 HA ARG 41 HA ARG 41 97.837 -1.583 -4.148 324 HB2 ARG 41 HB2 ARG 41 97.663 -3.750 -5.264 325 HB3 ARG 41 HB1 ARG 41 98.078 -4.574 -3.760 326 HG2 ARG 41 HG2 ARG 41 96.067 -3.809 -2.686 327 HG3 ARG 41 HG1 ARG 41 95.702 -2.718 -4.022 328 HD2 ARG 41 HD2 ARG 41 95.872 -5.730 -4.294 329 HD3 ARG 41 HD1 ARG 41 94.368 -4.846 -4.056 330 HE ARG 41 HE ARG 41 95.538 -3.636 -6.230 331 HH11 ARG 41 HH11 ARG 41 96.042 -4.769 -8.251 332 HH12 ARG 41 HH12 ARG 41 95.109 -6.186 -8.606 333 HH21 ARG 41 HH21 ARG 41 93.717 -6.382 -5.434 334 HH22 ARG 41 HH22 ARG 41 93.791 -7.100 -7.010 335 H CYS 42 HN CYS 42 96.637 -1.038 -2.445 336 HA CYS 42 HA CYS 42 97.237 -2.170 0.204 337 HB2 CYS 42 HB2 CYS 42 97.245 0.778 -0.462 338 HB3 CYS 42 HB1 CYS 42 97.266 0.118 1.170 339 HG CYS 42 HG CYS 42 99.598 -1.001 0.569 340 H ARG 43 HN ARG 43 95.335 -2.929 0.829 341 HA ARG 43 HA ARG 43 92.885 -1.319 0.338 342 HB2 ARG 43 HB2 ARG 43 93.098 -3.268 -1.224 343 HB3 ARG 43 HB1 ARG 43 93.147 -4.338 0.171 344 HG2 ARG 43 HG2 ARG 43 90.896 -3.711 0.808 345 HG3 ARG 43 HG1 ARG 43 90.848 -2.450 -0.425 346 HD2 ARG 43 HD2 ARG 43 89.658 -4.380 -1.269 347 HD3 ARG 43 HD1 ARG 43 91.176 -4.250 -2.153 348 HE ARG 43 HE ARG 43 91.446 -5.936 0.145 349 HH11 ARG 43 HH11 ARG 43 88.965 -6.951 -1.345 350 HH12 ARG 43 HH12 ARG 43 89.666 -8.134 -2.398 351 HH21 ARG 43 HH21 ARG 43 92.909 -6.987 -1.970 352 HH22 ARG 43 HH22 ARG 43 91.895 -8.156 -2.751 353 H VAL 44 HN VAL 44 91.023 -2.246 1.889 354 HA VAL 44 HA VAL 44 92.181 -3.074 4.453 355 HB VAL 44 HB VAL 44 90.602 -1.549 5.583 356 HG11 VAL 44 HG11 VAL 44 93.006 -0.885 4.855 357 HG12 VAL 44 HG12 VAL 44 91.907 0.407 5.336 358 HG13 VAL 44 HG13 VAL 44 92.209 0.098 3.629 359 HG21 VAL 44 HG21 VAL 44 90.038 -0.651 2.740 360 HG22 VAL 44 HG22 VAL 44 89.532 0.243 4.174 361 HG23 VAL 44 HG23 VAL 44 88.892 -1.370 3.871 362 H THR 45 HN THR 45 90.123 -3.821 5.900 363 HA THR 45 HA THR 45 88.005 -4.906 4.188 364 HB THR 45 HB THR 45 88.207 -7.159 5.085 365 HG1 THR 45 HG1 THR 45 90.205 -5.924 6.587 366 HG21 THR 45 HG21 THR 45 89.451 -6.525 3.010 367 HG22 THR 45 HG22 THR 45 90.199 -7.856 3.892 368 HG23 THR 45 HG23 THR 45 90.879 -6.232 4.002 369 H GLY 46 HN GLY 46 86.152 -5.603 5.375 370 HA2 GLY 46 HA2 GLY 46 85.254 -5.926 7.712 371 HA3 GLY 46 HA1 GLY 46 85.968 -4.363 8.071 372 H TYR 47 HN TYR 47 84.941 -2.502 7.436 373 HA TYR 47 HA TYR 47 82.274 -2.780 6.158 374 HB2 TYR 47 HB2 TYR 47 82.009 -0.631 7.938 375 HB3 TYR 47 HB1 TYR 47 81.393 -2.261 8.201 376 HD1 TYR 47 HD1 TYR 47 81.844 -2.948 10.395 377 HD2 TYR 47 HD2 TYR 47 84.816 -0.759 8.207 378 HE1 TYR 47 HE1 TYR 47 83.421 -3.211 12.289 379 HE2 TYR 47 HE2 TYR 47 86.400 -1.021 10.099 380 HH TYR 47 HH TYR 47 85.409 -2.656 13.110 381 HA PRO 48 HA PRO 48 82.979 0.459 3.322 382 HB2 PRO 48 HB2 PRO 48 81.077 2.395 4.358 383 HB3 PRO 48 HB1 PRO 48 80.906 1.325 2.958 384 HG2 PRO 48 HG2 PRO 48 79.858 1.012 5.683 385 HG3 PRO 48 HG1 PRO 48 79.334 0.235 4.181 386 HD2 PRO 48 HD2 PRO 48 80.641 -1.110 6.153 387 HD3 PRO 48 HD1 PRO 48 80.780 -1.555 4.447 388 H GLN 49 HN GLN 49 83.862 2.443 2.980 389 HA GLN 49 HA GLN 49 85.946 3.526 3.759 390 HB2 GLN 49 HB2 GLN 49 84.935 5.893 3.851 391 HB3 GLN 49 HB1 GLN 49 84.661 4.927 2.402 392 HG2 GLN 49 HG2 GLN 49 82.449 4.308 3.144 393 HG3 GLN 49 HG1 GLN 49 82.716 5.054 4.718 394 HE21 GLN 49 HE21 GLN 49 81.439 6.915 4.774 395 HE22 GLN 49 HE22 GLN 49 81.355 8.065 3.526 396 HA PRO 50 HA PRO 50 85.467 3.901 8.329 397 HB2 PRO 50 HB2 PRO 50 88.055 2.616 8.628 398 HB3 PRO 50 HB1 PRO 50 86.472 1.975 9.094 399 HG2 PRO 50 HG2 PRO 50 88.056 0.966 7.054 400 HG3 PRO 50 HG1 PRO 50 86.317 0.695 7.221 401 HD2 PRO 50 HD2 PRO 50 87.758 2.600 5.414 402 HD3 PRO 50 HD1 PRO 50 86.249 1.696 5.138 403 H LYS 51 HN LYS 51 88.001 4.372 9.646 404 HA LYS 51 HA LYS 51 88.883 6.856 8.268 405 HB2 LYS 51 HB2 LYS 51 89.072 6.016 11.169 406 HB3 LYS 51 HB1 LYS 51 89.895 7.425 10.512 407 HG2 LYS 51 HG2 LYS 51 87.665 8.275 9.727 408 HG3 LYS 51 HG1 LYS 51 86.904 6.933 10.579 409 HD2 LYS 51 HD2 LYS 51 88.739 8.941 11.917 410 HD3 LYS 51 HD1 LYS 51 86.985 9.102 11.889 411 HE2 LYS 51 HE2 LYS 51 86.922 6.737 12.909 412 HE3 LYS 51 HE1 LYS 51 88.642 6.955 13.224 413 HZ1 LYS 51 HZ1 LYS 51 86.399 8.594 14.245 414 HZ2 LYS 51 HZ2 LYS 51 88.022 9.082 14.349 415 HZ3 LYS 51 HZ3 LYS 51 87.504 7.670 15.140 416 H VAL 52 HN VAL 52 90.783 6.654 7.192 417 HA VAL 52 HA VAL 52 92.904 5.008 8.362 418 HB VAL 52 HB VAL 52 93.213 3.555 6.556 419 HG11 VAL 52 HG11 VAL 52 91.053 2.470 6.189 420 HG12 VAL 52 HG12 VAL 52 90.209 3.924 6.717 421 HG13 VAL 52 HG13 VAL 52 91.184 3.003 7.864 422 HG21 VAL 52 HG21 VAL 52 91.858 3.839 4.403 423 HG22 VAL 52 HG22 VAL 52 93.145 5.011 4.676 424 HG23 VAL 52 HG23 VAL 52 91.468 5.460 4.983 425 H ASN 53 HN ASN 53 94.974 5.281 7.236 426 HA ASN 53 HA ASN 53 95.283 7.487 5.399 427 HB2 ASN 53 HB2 ASN 53 96.827 8.734 6.959 428 HB3 ASN 53 HB1 ASN 53 95.121 8.809 7.396 429 HD21 ASN 53 HD21 ASN 53 97.032 9.253 9.411 430 HD22 ASN 53 HD22 ASN 53 97.043 7.930 10.475 431 H TRP 54 HN TRP 54 97.428 7.560 4.492 432 HA TRP 54 HA TRP 54 99.291 5.467 5.434 433 HB2 TRP 54 HB2 TRP 54 99.590 4.905 2.887 434 HB3 TRP 54 HB1 TRP 54 98.284 4.159 3.801 435 HD1 TRP 54 HD1 TRP 54 95.950 4.414 2.862 436 HE1 TRP 54 HE1 TRP 54 94.845 5.847 1.016 437 HE3 TRP 54 HE3 TRP 54 99.820 7.559 1.716 438 HZ2 TRP 54 HZ2 TRP 54 95.482 8.032 -0.649 439 HZ3 TRP 54 HZ3 TRP 54 99.523 9.317 0.007 440 HH2 TRP 54 HH2 TRP 54 97.355 9.552 -1.184 441 H TYR 55 HN TYR 55 101.455 5.671 4.433 442 HA TYR 55 HA TYR 55 102.019 8.415 3.501 443 HB2 TYR 55 HB2 TYR 55 103.785 6.951 5.456 444 HB3 TYR 55 HB1 TYR 55 103.845 8.649 4.995 445 HD1 TYR 55 HD1 TYR 55 102.775 10.238 6.347 446 HD2 TYR 55 HD2 TYR 55 101.565 6.123 6.567 447 HE1 TYR 55 HE1 TYR 55 101.322 10.768 8.281 448 HE2 TYR 55 HE2 TYR 55 100.093 6.659 8.490 449 HH TYR 55 HH TYR 55 100.244 8.761 10.381 450 H LEU 56 HN LEU 56 103.052 8.334 1.585 451 HA LEU 56 HA LEU 56 104.567 5.941 0.833 452 HB2 LEU 56 HB2 LEU 56 103.837 8.485 -0.636 453 HB3 LEU 56 HB1 LEU 56 104.980 7.317 -1.288 454 HG LEU 56 HG LEU 56 103.193 5.539 -0.968 455 HD11 LEU 56 HD11 LEU 56 100.817 6.877 -1.123 456 HD12 LEU 56 HD12 LEU 56 101.695 7.951 -0.040 457 HD13 LEU 56 HD13 LEU 56 101.486 6.254 0.381 458 HD21 LEU 56 HD21 LEU 56 103.713 6.413 -3.159 459 HD22 LEU 56 HD22 LEU 56 102.746 7.855 -2.865 460 HD23 LEU 56 HD23 LEU 56 101.961 6.280 -3.023 461 H ASN 57 HN ASN 57 106.886 5.930 0.666 462 HA ASN 57 HA ASN 57 108.965 6.554 1.345 463 HB2 ASN 57 HB2 ASN 57 108.479 7.998 -0.702 464 HB3 ASN 57 HB1 ASN 57 108.133 9.308 0.425 465 HD21 ASN 57 HD21 ASN 57 110.644 7.758 -1.292 466 HD22 ASN 57 HD22 ASN 57 111.954 8.440 -0.455 467 H GLY 58 HN GLY 58 106.385 7.366 3.085 468 HA2 GLY 58 HA2 GLY 58 106.473 7.759 5.420 469 HA3 GLY 58 HA1 GLY 58 107.998 8.608 5.212 470 H GLN 59 HN GLN 59 105.449 9.399 2.997 471 HA GLN 59 HA GLN 59 104.825 11.885 4.512 472 HB2 GLN 59 HB2 GLN 59 105.264 11.514 1.542 473 HB3 GLN 59 HB1 GLN 59 104.519 12.949 2.245 474 HG2 GLN 59 HG2 GLN 59 106.540 13.363 3.582 475 HG3 GLN 59 HG1 GLN 59 107.286 11.908 2.918 476 HE21 GLN 59 HE21 GLN 59 108.820 13.999 2.335 477 HE22 GLN 59 HE22 GLN 59 108.569 14.592 0.766 478 H LEU 60 HN LEU 60 102.677 12.158 4.940 479 HA LEU 60 HA LEU 60 100.736 10.275 4.018 480 HB2 LEU 60 HB2 LEU 60 101.008 11.866 6.226 481 HB3 LEU 60 HB1 LEU 60 99.839 12.806 5.312 482 HG LEU 60 HG LEU 60 99.537 9.879 6.088 483 HD11 LEU 60 HD11 LEU 60 99.332 11.842 7.859 484 HD12 LEU 60 HD12 LEU 60 98.127 10.560 7.822 485 HD13 LEU 60 HD13 LEU 60 97.780 12.118 7.075 486 HD21 LEU 60 HD21 LEU 60 97.910 11.730 4.372 487 HD22 LEU 60 HD22 LEU 60 97.055 10.570 5.386 488 HD23 LEU 60 HD23 LEU 60 98.208 10.001 4.190 489 H ILE 61 HN ILE 61 98.896 10.708 2.749 490 HA ILE 61 HA ILE 61 97.754 11.467 0.992 491 HB ILE 61 HB ILE 61 97.049 13.265 2.366 492 HG12 ILE 61 HG12 ILE 61 96.573 14.970 0.655 493 HG13 ILE 61 HG11 ILE 61 97.828 14.298 -0.378 494 HG21 ILE 61 HG21 ILE 61 99.607 14.634 1.567 495 HG22 ILE 61 HG22 ILE 61 99.019 14.265 3.198 496 HG23 ILE 61 HG23 ILE 61 98.223 15.494 2.226 497 HD11 ILE 61 HD11 ILE 61 95.319 13.590 -0.734 498 HD12 ILE 61 HD12 ILE 61 95.624 12.503 0.624 499 HD13 ILE 61 HD13 ILE 61 96.590 12.374 -0.850 500 H ARG 62 HN ARG 62 98.188 11.011 -0.872 501 HA ARG 62 HA ARG 62 100.668 11.907 -2.224 502 HB2 ARG 62 HB2 ARG 62 100.246 9.431 -2.174 503 HB3 ARG 62 HB1 ARG 62 98.735 9.705 -3.037 504 HG2 ARG 62 HG2 ARG 62 100.013 10.736 -4.900 505 HG3 ARG 62 HG1 ARG 62 101.513 10.389 -4.042 506 HD2 ARG 62 HD2 ARG 62 100.766 7.959 -4.024 507 HD3 ARG 62 HD1 ARG 62 99.495 8.431 -5.138 508 HE ARG 62 HE ARG 62 101.874 9.395 -6.211 509 HH11 ARG 62 HH11 ARG 62 99.959 6.582 -5.928 510 HH12 ARG 62 HH12 ARG 62 101.013 5.580 -6.866 511 HH21 ARG 62 HH21 ARG 62 103.471 8.004 -7.179 512 HH22 ARG 62 HH22 ARG 62 103.004 6.385 -7.577 513 H LYS 63 HN LYS 63 100.402 12.711 -4.437 514 HA LYS 63 HA LYS 63 98.248 14.518 -4.664 515 HB2 LYS 63 HB2 LYS 63 100.627 14.479 -5.837 516 HB3 LYS 63 HB1 LYS 63 99.750 13.636 -7.114 517 HG2 LYS 63 HG2 LYS 63 99.541 15.902 -7.723 518 HG3 LYS 63 HG1 LYS 63 98.017 15.560 -6.907 519 HD2 LYS 63 HD2 LYS 63 99.637 16.351 -4.782 520 HD3 LYS 63 HD1 LYS 63 100.233 17.364 -6.091 521 HE2 LYS 63 HE2 LYS 63 97.414 17.192 -5.008 522 HE3 LYS 63 HE1 LYS 63 98.474 18.604 -5.071 523 HZ1 LYS 63 HZ1 LYS 63 98.128 18.889 -7.293 524 HZ2 LYS 63 HZ2 LYS 63 96.620 18.231 -6.861 525 HZ3 LYS 63 HZ3 LYS 63 97.803 17.250 -7.581 526 H SER 64 HN SER 64 96.470 14.539 -6.031 527 HA SER 64 HA SER 64 95.129 12.041 -6.280 528 HB2 SER 64 HB2 SER 64 93.232 13.304 -6.790 529 HB3 SER 64 HB1 SER 64 94.180 14.397 -5.784 530 HG SER 64 HG SER 64 93.912 15.662 -7.458 531 H LYS 65 HN LYS 65 93.730 13.127 -8.712 532 HA LYS 65 HA LYS 65 93.840 11.596 -10.681 533 HB2 LYS 65 HB2 LYS 65 94.495 14.509 -11.052 534 HB3 LYS 65 HB1 LYS 65 94.039 13.434 -12.376 535 HG2 LYS 65 HG2 LYS 65 91.925 12.903 -11.250 536 HG3 LYS 65 HG1 LYS 65 92.375 13.926 -9.887 537 HD2 LYS 65 HD2 LYS 65 92.477 15.889 -11.415 538 HD3 LYS 65 HD1 LYS 65 91.969 14.853 -12.749 539 HE2 LYS 65 HE2 LYS 65 89.859 14.368 -11.621 540 HE3 LYS 65 HE1 LYS 65 90.363 15.307 -10.216 541 HZ1 LYS 65 HZ1 LYS 65 90.680 17.156 -12.010 542 HZ2 LYS 65 HZ2 LYS 65 89.142 16.845 -11.356 543 HZ3 LYS 65 HZ3 LYS 65 89.559 16.229 -12.883 544 H ARG 66 HN ARG 66 96.889 13.424 -10.146 545 HA ARG 66 HA ARG 66 98.178 12.410 -12.443 546 HB2 ARG 66 HB2 ARG 66 99.253 13.466 -9.826 547 HB3 ARG 66 HB1 ARG 66 100.310 12.934 -11.135 548 HG2 ARG 66 HG2 ARG 66 99.316 14.549 -12.665 549 HG3 ARG 66 HG1 ARG 66 98.128 15.021 -11.451 550 HD2 ARG 66 HD2 ARG 66 99.956 16.657 -11.538 551 HD3 ARG 66 HD1 ARG 66 99.949 15.822 -9.990 552 HE ARG 66 HE ARG 66 101.961 14.777 -10.572 553 HH11 ARG 66 HH11 ARG 66 102.100 13.672 -13.066 554 HH12 ARG 66 HH12 ARG 66 102.874 14.818 -14.108 555 HH21 ARG 66 HH21 ARG 66 102.330 17.513 -11.997 556 HH22 ARG 66 HH22 ARG 66 103.005 16.990 -13.504 557 H PHE 67 HN PHE 67 97.754 11.067 -9.218 558 HA PHE 67 HA PHE 67 98.998 8.534 -10.152 559 HB2 PHE 67 HB2 PHE 67 99.038 9.776 -7.390 560 HB3 PHE 67 HB1 PHE 67 99.473 8.099 -7.715 561 HD1 PHE 67 HD1 PHE 67 100.620 11.508 -7.713 562 HD2 PHE 67 HD2 PHE 67 101.309 7.638 -9.445 563 HE1 PHE 67 HE1 PHE 67 102.903 12.213 -8.381 564 HE2 PHE 67 HE2 PHE 67 103.589 8.343 -10.113 565 HZ PHE 67 HZ PHE 67 104.388 10.629 -9.580 566 H ARG 68 HN ARG 68 97.913 6.607 -9.517 567 HA ARG 68 HA ARG 68 95.083 6.860 -9.357 568 HB2 ARG 68 HB2 ARG 68 96.961 4.506 -9.106 569 HB3 ARG 68 HB1 ARG 68 95.208 4.341 -9.005 570 HG2 ARG 68 HG2 ARG 68 94.976 5.382 -11.221 571 HG3 ARG 68 HG1 ARG 68 96.726 5.555 -11.327 572 HD2 ARG 68 HD2 ARG 68 97.004 3.128 -11.247 573 HD3 ARG 68 HD1 ARG 68 95.270 2.913 -11.029 574 HE ARG 68 HE ARG 68 95.954 4.390 -13.418 575 HH11 ARG 68 HH11 ARG 68 94.843 3.419 -15.202 576 HH12 ARG 68 HH12 ARG 68 94.780 1.691 -15.296 577 HH21 ARG 68 HH21 ARG 68 96.148 1.203 -12.145 578 HH22 ARG 68 HH22 ARG 68 95.520 0.437 -13.567 579 H VAL 69 HN VAL 69 94.112 7.601 -7.573 580 HA VAL 69 HA VAL 69 94.579 6.157 -5.067 581 HB VAL 69 HB VAL 69 96.060 8.266 -5.177 582 HG11 VAL 69 HG11 VAL 69 93.427 9.632 -4.566 583 HG12 VAL 69 HG12 VAL 69 94.233 9.719 -6.135 584 HG13 VAL 69 HG13 VAL 69 95.017 10.375 -4.698 585 HG21 VAL 69 HG21 VAL 69 95.395 8.886 -2.795 586 HG22 VAL 69 HG22 VAL 69 95.761 7.184 -3.080 587 HG23 VAL 69 HG23 VAL 69 94.084 7.717 -2.962 588 H ARG 70 HN ARG 70 92.766 5.931 -3.858 589 HA ARG 70 HA ARG 70 90.417 7.605 -4.430 590 HB2 ARG 70 HB2 ARG 70 90.254 5.620 -5.935 591 HB3 ARG 70 HB1 ARG 70 90.317 4.577 -4.514 592 HG2 ARG 70 HG2 ARG 70 88.288 5.676 -3.622 593 HG3 ARG 70 HG1 ARG 70 88.218 6.698 -5.058 594 HD2 ARG 70 HD2 ARG 70 88.098 4.606 -6.449 595 HD3 ARG 70 HD1 ARG 70 87.965 3.684 -4.955 596 HE ARG 70 HE ARG 70 86.011 5.801 -5.178 597 HH11 ARG 70 HH11 ARG 70 85.392 3.294 -3.746 598 HH12 ARG 70 HH12 ARG 70 84.381 2.435 -4.860 599 HH21 ARG 70 HH21 ARG 70 85.312 4.360 -7.593 600 HH22 ARG 70 HH22 ARG 70 84.337 3.038 -7.039 601 H TYR 71 HN TYR 71 90.331 8.463 -2.407 602 HA TYR 71 HA TYR 71 90.907 6.954 -0.058 603 HB2 TYR 71 HB2 TYR 71 91.051 9.481 -0.321 604 HB3 TYR 71 HB1 TYR 71 89.292 9.511 -0.224 605 HD1 TYR 71 HD1 TYR 71 92.408 9.227 1.633 606 HD2 TYR 71 HD2 TYR 71 88.151 8.632 1.856 607 HE1 TYR 71 HE1 TYR 71 92.533 9.150 4.116 608 HE2 TYR 71 HE2 TYR 71 88.286 8.557 4.325 609 HH TYR 71 HH TYR 71 89.642 9.105 6.102 610 H ASP 72 HN ASP 72 89.652 5.115 -0.102 611 HA ASP 72 HA ASP 72 87.075 5.271 1.086 612 HB2 ASP 72 HB2 ASP 72 86.526 5.853 -1.307 613 HB3 ASP 72 HB1 ASP 72 87.154 4.275 -1.776 614 H GLY 73 HN GLY 73 89.748 4.047 1.300 615 HA2 GLY 73 HA2 GLY 73 90.188 1.998 2.474 616 HA3 GLY 73 HA1 GLY 73 88.934 1.213 1.520 617 H ILE 74 HN ILE 74 90.053 2.781 -0.883 618 HA ILE 74 HA ILE 74 92.187 0.837 -1.566 619 HB ILE 74 HB ILE 74 90.341 2.448 -3.329 620 HG12 ILE 74 HG12 ILE 74 90.428 -0.540 -2.844 621 HG13 ILE 74 HG11 ILE 74 89.338 0.548 -1.978 622 HG21 ILE 74 HG21 ILE 74 91.270 0.818 -5.078 623 HG22 ILE 74 HG22 ILE 74 92.551 0.473 -3.918 624 HG23 ILE 74 HG23 ILE 74 92.348 2.108 -4.550 625 HD11 ILE 74 HD11 ILE 74 88.246 -0.460 -3.964 626 HD12 ILE 74 HD12 ILE 74 89.486 0.266 -4.987 627 HD13 ILE 74 HD13 ILE 74 88.367 1.296 -4.095 628 H HIS 75 HN HIS 75 94.189 1.557 -1.731 629 HA HIS 75 HA HIS 75 94.715 4.225 -2.863 630 HB2 HIS 75 HB2 HIS 75 96.669 4.211 -1.017 631 HB3 HIS 75 HB1 HIS 75 95.084 4.910 -0.699 632 HD1 HIS 75 HD1 HIS 75 93.347 2.582 -0.039 633 HD2 HIS 75 HD2 HIS 75 97.316 2.765 1.220 634 HE1 HIS 75 HE1 HIS 75 93.535 1.043 1.963 635 H TYR 76 HN TYR 76 95.775 3.741 -4.685 636 HA TYR 76 HA TYR 76 97.683 1.496 -4.719 637 HB2 TYR 76 HB2 TYR 76 96.645 3.246 -6.960 638 HB3 TYR 76 HB1 TYR 76 97.666 1.824 -7.153 639 HD1 TYR 76 HD1 TYR 76 94.321 2.969 -7.126 640 HD2 TYR 76 HD2 TYR 76 96.756 -0.374 -5.945 641 HE1 TYR 76 HE1 TYR 76 92.317 1.505 -7.125 642 HE2 TYR 76 HE2 TYR 76 94.750 -1.829 -5.953 643 HH TYR 76 HH TYR 76 92.453 -1.792 -5.926 644 H LEU 77 HN LEU 77 99.815 1.818 -4.462 645 HA LEU 77 HA LEU 77 100.951 4.508 -4.824 646 HB2 LEU 77 HB2 LEU 77 102.699 2.259 -3.916 647 HB3 LEU 77 HB1 LEU 77 102.643 3.925 -3.375 648 HG LEU 77 HG LEU 77 100.581 1.808 -2.687 649 HD11 LEU 77 HD11 LEU 77 102.763 3.083 -1.008 650 HD12 LEU 77 HD12 LEU 77 102.789 1.431 -1.630 651 HD13 LEU 77 HD13 LEU 77 101.575 1.908 -0.444 652 HD21 LEU 77 HD21 LEU 77 99.730 4.169 -2.765 653 HD22 LEU 77 HD22 LEU 77 100.981 4.614 -1.607 654 HD23 LEU 77 HD23 LEU 77 99.710 3.487 -1.139 655 H ASP 78 HN ASP 78 100.710 4.439 -7.141 656 HA ASP 78 HA ASP 78 102.385 2.438 -8.549 657 HB2 ASP 78 HB2 ASP 78 100.034 2.597 -9.249 658 HB3 ASP 78 HB1 ASP 78 100.273 4.296 -9.651 659 H ILE 79 HN ILE 79 104.337 3.028 -9.176 660 HA ILE 79 HA ILE 79 104.912 5.890 -9.680 661 HB ILE 79 HB ILE 79 107.357 5.028 -9.580 662 HG12 ILE 79 HG12 ILE 79 105.985 2.806 -8.051 663 HG13 ILE 79 HG11 ILE 79 106.630 2.608 -9.677 664 HG21 ILE 79 HG21 ILE 79 106.225 6.421 -7.837 665 HG22 ILE 79 HG22 ILE 79 107.402 5.298 -7.160 666 HG23 ILE 79 HG23 ILE 79 105.679 4.938 -7.055 667 HD11 ILE 79 HD11 ILE 79 108.786 2.526 -8.944 668 HD12 ILE 79 HD12 ILE 79 108.068 2.158 -7.378 669 HD13 ILE 79 HD13 ILE 79 108.546 3.807 -7.755 670 H VAL 80 HN VAL 80 106.477 6.314 -11.491 671 HA VAL 80 HA VAL 80 106.264 4.370 -13.697 672 HB VAL 80 HB VAL 80 104.400 6.050 -13.851 673 HG11 VAL 80 HG11 VAL 80 106.541 8.086 -14.454 674 HG12 VAL 80 HG12 VAL 80 105.909 7.883 -12.820 675 HG13 VAL 80 HG13 VAL 80 104.828 8.353 -14.132 676 HG21 VAL 80 HG21 VAL 80 106.388 6.555 -16.069 677 HG22 VAL 80 HG22 VAL 80 104.640 6.373 -16.176 678 HG23 VAL 80 HG23 VAL 80 105.650 4.966 -15.858 679 H ASP 81 HN ASP 81 107.685 5.244 -15.592 680 HA ASP 81 HA ASP 81 110.325 5.614 -14.587 681 HB2 ASP 81 HB2 ASP 81 109.136 5.700 -17.362 682 HB3 ASP 81 HB1 ASP 81 110.847 6.006 -17.069 683 H CYS 82 HN CYS 82 109.167 7.617 -13.373 684 HA CYS 82 HA CYS 82 109.833 10.068 -14.901 685 HB2 CYS 82 HB2 CYS 82 107.689 9.436 -12.915 686 HB3 CYS 82 HB1 CYS 82 108.376 11.061 -12.881 687 HG CYS 82 HG CYS 82 107.628 11.392 -15.355 688 H LYS 83 HN LYS 83 109.467 9.172 -11.494 689 HA LYS 83 HA LYS 83 112.291 9.792 -10.970 690 HB2 LYS 83 HB2 LYS 83 111.701 11.158 -9.014 691 HB3 LYS 83 HB1 LYS 83 111.060 11.875 -10.491 692 HG2 LYS 83 HG2 LYS 83 108.861 10.763 -10.006 693 HG3 LYS 83 HG1 LYS 83 109.522 10.237 -8.457 694 HD2 LYS 83 HD2 LYS 83 109.918 12.552 -7.793 695 HD3 LYS 83 HD1 LYS 83 109.337 13.122 -9.358 696 HE2 LYS 83 HE2 LYS 83 107.551 13.308 -7.686 697 HE3 LYS 83 HE1 LYS 83 107.125 12.095 -8.892 698 HZ1 LYS 83 HZ1 LYS 83 108.166 10.443 -7.296 699 HZ2 LYS 83 HZ2 LYS 83 106.667 11.104 -6.845 700 HZ3 LYS 83 HZ3 LYS 83 108.098 11.674 -6.133 701 H SER 84 HN SER 84 113.155 8.206 -9.775 702 HA SER 84 HA SER 84 111.466 6.741 -7.876 703 HB2 SER 84 HB2 SER 84 113.163 5.006 -9.584 704 HB3 SER 84 HB1 SER 84 111.529 4.742 -8.980 705 HG SER 84 HG SER 84 110.927 5.293 -10.904 706 H TYR 85 HN TYR 85 114.673 7.415 -9.162 707 HA TYR 85 HA TYR 85 116.318 6.007 -7.456 708 HB2 TYR 85 HB2 TYR 85 118.054 7.430 -8.145 709 HB3 TYR 85 HB1 TYR 85 116.910 7.426 -9.478 710 HD1 TYR 85 HD1 TYR 85 119.018 9.535 -7.829 711 HD2 TYR 85 HD2 TYR 85 114.854 9.305 -8.874 712 HE1 TYR 85 HE1 TYR 85 118.836 12.001 -7.669 713 HE2 TYR 85 HE2 TYR 85 114.682 11.770 -8.717 714 HH TYR 85 HH TYR 85 116.345 13.749 -8.936 715 H ASP 86 HN ASP 86 114.678 6.359 -5.513 716 HA ASP 86 HA ASP 86 116.159 7.880 -3.572 717 HB2 ASP 86 HB2 ASP 86 114.599 9.556 -4.674 718 HB3 ASP 86 HB1 ASP 86 113.264 8.631 -3.989 719 H THR 87 HN THR 87 116.243 6.558 -1.862 720 HA THR 87 HA THR 87 114.251 4.474 -1.513 721 HB THR 87 HB THR 87 115.718 3.644 0.235 722 HG1 THR 87 HG1 THR 87 117.723 5.357 0.104 723 HG21 THR 87 HG21 THR 87 117.788 3.359 -1.052 724 HG22 THR 87 HG22 THR 87 117.343 4.712 -2.090 725 HG23 THR 87 HG23 THR 87 116.388 3.230 -2.115 726 H GLY 88 HN GLY 88 112.608 4.457 -0.030 727 HA2 GLY 88 HA2 GLY 88 112.645 6.448 2.147 728 HA3 GLY 88 HA1 GLY 88 111.287 6.435 1.031 729 H GLU 89 HN GLU 89 109.898 5.981 2.814 730 HA GLU 89 HA GLU 89 109.812 3.105 3.500 731 HB2 GLU 89 HB2 GLU 89 110.871 4.260 5.397 732 HB3 GLU 89 HB1 GLU 89 109.518 5.386 5.473 733 HG2 GLU 89 HG2 GLU 89 107.979 3.559 5.998 734 HG3 GLU 89 HG1 GLU 89 109.278 2.383 5.823 735 H VAL 90 HN VAL 90 107.806 2.241 3.387 736 HA VAL 90 HA VAL 90 105.518 4.085 3.003 737 HB VAL 90 HB VAL 90 106.061 1.303 1.932 738 HG11 VAL 90 HG11 VAL 90 103.812 1.698 0.760 739 HG12 VAL 90 HG12 VAL 90 103.539 2.969 1.951 740 HG13 VAL 90 HG13 VAL 90 103.744 1.299 2.476 741 HG21 VAL 90 HG21 VAL 90 105.568 2.633 -0.253 742 HG22 VAL 90 HG22 VAL 90 107.138 2.844 0.523 743 HG23 VAL 90 HG23 VAL 90 105.884 4.060 0.729 744 H LYS 91 HN LYS 91 103.846 3.919 4.377 745 HA LYS 91 HA LYS 91 103.698 1.577 6.189 746 HB2 LYS 91 HB2 LYS 91 104.796 3.604 7.251 747 HB3 LYS 91 HB1 LYS 91 103.256 4.441 7.050 748 HG2 LYS 91 HG2 LYS 91 102.168 2.533 8.314 749 HG3 LYS 91 HG1 LYS 91 103.790 1.945 8.679 750 HD2 LYS 91 HD2 LYS 91 102.793 4.727 9.355 751 HD3 LYS 91 HD1 LYS 91 102.828 3.383 10.495 752 HE2 LYS 91 HE2 LYS 91 105.343 3.201 9.888 753 HE3 LYS 91 HE1 LYS 91 105.151 4.817 9.212 754 HZ1 LYS 91 HZ1 LYS 91 103.924 4.818 11.701 755 HZ2 LYS 91 HZ2 LYS 91 105.345 5.626 11.244 756 HZ3 LYS 91 HZ3 LYS 91 105.427 4.062 11.908 757 H VAL 92 HN VAL 92 101.707 0.690 6.170 758 HA VAL 92 HA VAL 92 99.411 2.372 5.332 759 HB VAL 92 HB VAL 92 99.978 -0.587 4.999 760 HG11 VAL 92 HG11 VAL 92 97.387 0.957 4.717 761 HG12 VAL 92 HG12 VAL 92 97.680 -0.492 5.677 762 HG13 VAL 92 HG13 VAL 92 97.661 -0.591 3.918 763 HG21 VAL 92 HG21 VAL 92 100.819 1.189 3.339 764 HG22 VAL 92 HG22 VAL 92 99.121 1.460 2.944 765 HG23 VAL 92 HG23 VAL 92 99.849 -0.122 2.670 766 H THR 93 HN THR 93 97.823 2.629 6.765 767 HA THR 93 HA THR 93 97.480 0.748 8.974 768 HB THR 93 HB THR 93 99.110 2.232 9.933 769 HG1 THR 93 HG1 THR 93 97.942 2.450 11.652 770 HG21 THR 93 HG21 THR 93 98.614 4.713 10.001 771 HG22 THR 93 HG22 THR 93 97.339 4.415 8.819 772 HG23 THR 93 HG23 THR 93 99.021 4.081 8.406 773 H ALA 94 HN ALA 94 95.514 0.936 10.025 774 HA ALA 94 HA ALA 94 93.510 2.738 8.807 775 HB1 ALA 94 HB1 ALA 94 93.330 -0.211 9.415 776 HB2 ALA 94 HB2 ALA 94 92.959 0.626 7.906 777 HB3 ALA 94 HB3 ALA 94 91.889 0.798 9.294 778 H GLU 95 HN GLU 95 91.472 2.655 10.303 779 HA GLU 95 HA GLU 95 91.997 2.316 13.110 780 HB2 GLU 95 HB2 GLU 95 93.179 4.439 12.687 781 HB3 GLU 95 HB1 GLU 95 91.701 5.123 12.015 782 HG2 GLU 95 HG2 GLU 95 90.564 4.869 14.159 783 HG3 GLU 95 HG1 GLU 95 91.976 4.064 14.842 784 H ASN 96 HN ASN 96 90.135 1.056 13.051 785 HA ASN 96 HA ASN 96 87.644 2.241 12.139 786 HB2 ASN 96 HB2 ASN 96 87.691 -0.396 13.553 787 HB3 ASN 96 HB1 ASN 96 86.816 0.085 12.104 788 HD21 ASN 96 HD21 ASN 96 90.087 -0.788 13.278 789 HD22 ASN 96 HD22 ASN 96 90.655 -1.314 11.766 790 HA PRO 97 HA PRO 97 86.229 3.404 16.147 791 HB2 PRO 97 HB2 PRO 97 83.646 2.082 16.170 792 HB3 PRO 97 HB1 PRO 97 84.002 3.778 15.804 793 HG2 PRO 97 HG2 PRO 97 83.125 1.862 13.973 794 HG3 PRO 97 HG1 PRO 97 83.854 3.425 13.572 795 HD2 PRO 97 HD2 PRO 97 85.072 0.707 13.496 796 HD3 PRO 97 HD1 PRO 97 85.478 2.157 12.557 797 H GLU 98 HN GLU 98 86.301 0.014 15.450 798 HA GLU 98 HA GLU 98 86.032 -0.711 18.299 799 HB2 GLU 98 HB2 GLU 98 85.920 -2.331 15.753 800 HB3 GLU 98 HB1 GLU 98 85.863 -3.031 17.371 801 HG2 GLU 98 HG2 GLU 98 83.839 -1.827 17.898 802 HG3 GLU 98 HG1 GLU 98 83.939 -0.905 16.398 803 H GLY 99 HN GLY 99 88.549 -0.088 16.082 804 HA2 GLY 99 HA2 GLY 99 90.505 -1.065 17.876 805 HA3 GLY 99 HA1 GLY 99 90.330 -2.169 16.518 806 H VAL 100 HN VAL 100 92.677 -1.295 16.616 807 HA VAL 100 HA VAL 100 92.946 0.664 14.449 808 HB VAL 100 HB VAL 100 93.246 1.952 16.541 809 HG11 VAL 100 HG11 VAL 100 95.616 0.141 17.063 810 HG12 VAL 100 HG12 VAL 100 94.052 -0.080 17.849 811 HG13 VAL 100 HG13 VAL 100 94.972 1.401 18.115 812 HG21 VAL 100 HG21 VAL 100 95.336 2.964 15.923 813 HG22 VAL 100 HG22 VAL 100 94.618 2.359 14.431 814 HG23 VAL 100 HG23 VAL 100 95.922 1.462 15.209 815 H ILE 101 HN ILE 101 94.690 0.254 13.105 816 HA ILE 101 HA ILE 101 96.493 -1.976 13.860 817 HB ILE 101 HB ILE 101 95.116 -1.679 11.181 818 HG12 ILE 101 HG12 ILE 101 94.792 -3.841 13.289 819 HG13 ILE 101 HG11 ILE 101 93.656 -2.503 13.076 820 HG21 ILE 101 HG21 ILE 101 97.190 -3.580 12.297 821 HG22 ILE 101 HG22 ILE 101 97.281 -2.608 10.830 822 HG23 ILE 101 HG23 ILE 101 96.204 -3.998 10.898 823 HD11 ILE 101 HD11 ILE 101 92.923 -4.543 11.853 824 HD12 ILE 101 HD12 ILE 101 94.418 -4.499 10.916 825 HD13 ILE 101 HD13 ILE 101 93.239 -3.197 10.759 826 H GLU 102 HN GLU 102 98.493 -2.005 12.808 827 HA GLU 102 HA GLU 102 99.226 0.164 11.020 828 HB2 GLU 102 HB2 GLU 102 99.461 1.186 13.269 829 HB3 GLU 102 HB1 GLU 102 100.571 -0.108 13.720 830 HG2 GLU 102 HG2 GLU 102 102.103 0.553 11.914 831 HG3 GLU 102 HG1 GLU 102 100.986 1.820 11.415 832 H HIS 103 HN HIS 103 100.710 -0.523 9.615 833 HA HIS 103 HA HIS 103 102.435 -2.829 10.319 834 HB2 HIS 103 HB2 HIS 103 100.559 -2.511 7.995 835 HB3 HIS 103 HB1 HIS 103 102.076 -3.363 7.734 836 HD1 HIS 103 HD1 HIS 103 101.608 -5.786 7.823 837 HD2 HIS 103 HD2 HIS 103 99.479 -3.733 10.762 838 HE1 HIS 103 HE1 HIS 103 100.355 -7.535 9.154 839 H LYS 104 HN LYS 104 104.521 -2.503 9.848 840 HA LYS 104 HA LYS 104 105.236 -0.096 8.276 841 HB2 LYS 104 HB2 LYS 104 106.872 -1.717 10.232 842 HB3 LYS 104 HB1 LYS 104 107.391 -0.234 9.434 843 HG2 LYS 104 HG2 LYS 104 105.448 0.949 10.480 844 HG3 LYS 104 HG1 LYS 104 105.072 -0.524 11.367 845 HD2 LYS 104 HD2 LYS 104 107.771 0.837 11.521 846 HD3 LYS 104 HD1 LYS 104 106.456 1.197 12.636 847 HE2 LYS 104 HE2 LYS 104 106.368 -1.292 13.156 848 HE3 LYS 104 HE1 LYS 104 107.877 -1.451 12.258 849 HZ1 LYS 104 HZ1 LYS 104 108.131 -1.118 14.698 850 HZ2 LYS 104 HZ2 LYS 104 107.516 0.453 14.494 851 HZ3 LYS 104 HZ3 LYS 104 108.968 0.001 13.737 852 H VAL 105 HN VAL 105 106.266 -0.258 6.408 853 HA VAL 105 HA VAL 105 107.804 -2.666 5.729 854 HB VAL 105 HB VAL 105 105.689 -3.195 4.713 855 HG11 VAL 105 HG11 VAL 105 104.781 -0.855 4.846 856 HG12 VAL 105 HG12 VAL 105 104.451 -1.666 3.316 857 HG13 VAL 105 HG13 VAL 105 105.734 -0.461 3.416 858 HG21 VAL 105 HG21 VAL 105 107.406 -1.921 2.556 859 HG22 VAL 105 HG22 VAL 105 106.297 -3.272 2.368 860 HG23 VAL 105 HG23 VAL 105 107.770 -3.470 3.316 861 H LYS 106 HN LYS 106 109.506 -2.241 4.300 862 HA LYS 106 HA LYS 106 109.980 0.640 3.743 863 HB2 LYS 106 HB2 LYS 106 111.899 -1.553 4.521 864 HB3 LYS 106 HB1 LYS 106 112.415 0.017 3.902 865 HG2 LYS 106 HG2 LYS 106 111.243 1.153 5.722 866 HG3 LYS 106 HG1 LYS 106 110.649 -0.391 6.335 867 HD2 LYS 106 HD2 LYS 106 112.963 -1.125 6.744 868 HD3 LYS 106 HD1 LYS 106 113.567 0.406 6.105 869 HE2 LYS 106 HE2 LYS 106 112.370 1.629 7.883 870 HE3 LYS 106 HE1 LYS 106 111.763 0.103 8.525 871 HZ1 LYS 106 HZ1 LYS 106 114.085 -0.599 8.834 872 HZ2 LYS 106 HZ2 LYS 106 113.692 0.777 9.751 873 HZ3 LYS 106 HZ3 LYS 106 114.607 0.933 8.327 874 H LEU 107 HN LEU 107 110.403 1.274 1.788 875 HA LEU 107 HA LEU 107 111.015 -0.720 -0.332 876 HB2 LEU 107 HB2 LEU 107 109.550 1.923 -0.646 877 HB3 LEU 107 HB1 LEU 107 109.817 0.711 -1.895 878 HG LEU 107 HG LEU 107 108.137 0.380 0.609 879 HD11 LEU 107 HD11 LEU 107 107.185 0.090 -2.238 880 HD12 LEU 107 HD12 LEU 107 107.280 1.684 -1.496 881 HD13 LEU 107 HD13 LEU 107 106.247 0.440 -0.785 882 HD21 LEU 107 HD21 LEU 107 107.568 -1.841 -0.709 883 HD22 LEU 107 HD22 LEU 107 109.004 -1.760 0.305 884 HD23 LEU 107 HD23 LEU 107 109.150 -1.571 -1.436 885 H GLU 108 HN GLU 108 113.009 -0.403 -1.254 886 HA GLU 108 HA GLU 108 114.231 2.279 -0.937 887 HB2 GLU 108 HB2 GLU 108 115.686 -0.354 -1.154 888 HB3 GLU 108 HB1 GLU 108 116.348 1.216 -0.693 889 HG2 GLU 108 HG2 GLU 108 114.862 1.212 1.309 890 HG3 GLU 108 HG1 GLU 108 114.318 -0.407 0.860 891 H ILE 109 HN ILE 109 114.368 3.298 -2.872 892 HA ILE 109 HA ILE 109 114.576 1.630 -5.306 893 HB ILE 109 HB ILE 109 113.995 4.574 -5.023 894 HG12 ILE 109 HG12 ILE 109 112.091 2.299 -5.652 895 HG13 ILE 109 HG11 ILE 109 112.233 3.050 -4.066 896 HG21 ILE 109 HG21 ILE 109 114.160 2.648 -7.343 897 HG22 ILE 109 HG22 ILE 109 114.856 4.250 -7.193 898 HG23 ILE 109 HG23 ILE 109 113.131 4.065 -7.448 899 HD11 ILE 109 HD11 ILE 109 111.699 5.258 -5.118 900 HD12 ILE 109 HD12 ILE 109 110.385 4.090 -5.262 901 HD13 ILE 109 HD13 ILE 109 111.427 4.422 -6.649 902 H GLN 110 HN GLN 110 116.560 1.313 -6.077 903 HA GLN 110 HA GLN 110 118.707 3.201 -5.388 904 HB2 GLN 110 HB2 GLN 110 118.855 0.626 -5.159 905 HB3 GLN 110 HB1 GLN 110 119.044 0.619 -6.912 906 HG2 GLN 110 HG2 GLN 110 120.990 2.107 -6.728 907 HG3 GLN 110 HG1 GLN 110 120.777 2.190 -4.980 908 HE21 GLN 110 HE21 GLN 110 123.185 1.173 -6.224 909 HE22 GLN 110 HE22 GLN 110 123.306 -0.475 -5.830 910 H GLN 111 HN GLN 111 119.824 1.757 -8.081 911 HA GLN 111 HA GLN 111 118.498 3.457 -10.055 912 HB2 GLN 111 HB2 GLN 111 120.402 4.768 -10.617 913 HB3 GLN 111 HB1 GLN 111 120.226 4.872 -8.866 914 HG2 GLN 111 HG2 GLN 111 121.863 2.865 -8.778 915 HG3 GLN 111 HG1 GLN 111 122.226 3.267 -10.456 916 HE21 GLN 111 HE21 GLN 111 122.318 4.573 -7.133 917 HE22 GLN 111 HE22 GLN 111 123.478 5.768 -7.466 918 H LEU 112 HN LEU 112 119.068 3.011 -12.222 919 HA LEU 112 HA LEU 112 119.927 0.267 -12.658 920 HB2 LEU 112 HB2 LEU 112 117.981 1.152 -13.881 921 HB3 LEU 112 HB1 LEU 112 118.997 2.396 -14.603 922 HG LEU 112 HG LEU 112 120.358 0.657 -15.712 923 HD11 LEU 112 HD11 LEU 112 119.199 -1.715 -15.660 924 HD12 LEU 112 HD12 LEU 112 118.565 -1.160 -14.112 925 HD13 LEU 112 HD13 LEU 112 120.308 -1.256 -14.370 926 HD21 LEU 112 HD21 LEU 112 117.389 0.229 -16.173 927 HD22 LEU 112 HD22 LEU 112 118.686 -0.036 -17.339 928 HD23 LEU 112 HD23 LEU 112 118.308 1.600 -16.798 929 H GLU 113 HN GLU 113 121.893 -0.350 -13.364 930 HA GLU 113 HA GLU 113 123.639 1.553 -14.745 931 HB2 GLU 113 HB2 GLU 113 124.101 1.867 -12.315 932 HB3 GLU 113 HB1 GLU 113 124.523 0.156 -12.210 933 HG2 GLU 113 HG2 GLU 113 126.313 0.462 -13.852 934 HG3 GLU 113 HG1 GLU 113 125.874 2.159 -14.041 935 H HIS 114 HN HIS 114 123.464 -1.689 -13.260 936 HA HIS 114 HA HIS 114 125.227 -2.792 -15.307 937 HB2 HIS 114 HB2 HIS 114 125.341 -3.521 -12.918 938 HB3 HIS 114 HB1 HIS 114 123.734 -4.224 -13.101 939 HD1 HIS 114 HD1 HIS 114 127.305 -4.799 -13.900 940 HD2 HIS 114 HD2 HIS 114 123.629 -6.442 -14.974 941 HE1 HIS 114 HE1 HIS 114 127.812 -7.012 -15.023 942 H HIS 115 HN HIS 115 124.553 -3.719 -17.132 943 HA HIS 115 HA HIS 115 121.987 -5.069 -17.296 944 HB2 HIS 115 HB2 HIS 115 121.195 -3.738 -19.215 945 HB3 HIS 115 HB1 HIS 115 121.322 -2.758 -17.755 946 HD1 HIS 115 HD1 HIS 115 123.419 -1.141 -17.592 947 HD2 HIS 115 HD2 HIS 115 122.887 -2.953 -21.310 948 HE1 HIS 115 HE1 HIS 115 124.863 0.143 -19.227 949 H HIS 116 HN HIS 116 121.684 -6.047 -19.491 950 HA HIS 116 HA HIS 116 124.237 -7.153 -20.399 951 HB2 HIS 116 HB2 HIS 116 121.395 -7.855 -21.189 952 HB3 HIS 116 HB1 HIS 116 122.847 -8.766 -21.602 953 HD1 HIS 116 HD1 HIS 116 120.708 -7.812 -18.635 954 HD2 HIS 116 HD2 HIS 116 123.822 -10.427 -19.548 955 HE1 HIS 116 HE1 HIS 116 120.955 -9.354 -16.641 956 H HIS 117 HN HIS 117 125.185 -6.667 -22.313 957 HA HIS 117 HA HIS 117 124.309 -4.423 -23.821 958 HB2 HIS 117 HB2 HIS 117 126.390 -6.546 -24.364 959 HB3 HIS 117 HB1 HIS 117 126.098 -5.189 -25.451 960 HD1 HIS 117 HD1 HIS 117 127.407 -6.005 -22.021 961 HD2 HIS 117 HD2 HIS 117 126.999 -2.681 -24.500 962 HE1 HIS 117 HE1 HIS 117 128.735 -4.140 -20.941 963 H HIS 118 HN HIS 118 124.129 -7.920 -24.363 964 HA HIS 118 HA HIS 118 122.895 -7.644 -26.952 965 HB2 HIS 118 HB2 HIS 118 123.096 -10.053 -25.127 966 HB3 HIS 118 HB1 HIS 118 122.634 -10.080 -26.830 967 HD1 HIS 118 HD1 HIS 118 124.550 -8.941 -28.482 968 HD2 HIS 118 HD2 HIS 118 125.817 -10.323 -24.759 969 HE1 HIS 118 HE1 HIS 118 127.068 -9.201 -28.630 970 H HIS 119 HN HIS 119 120.791 -7.453 -27.416 971 HA HIS 119 HA HIS 119 118.845 -7.469 -25.196 972 HB2 HIS 119 HB2 HIS 119 118.941 -5.429 -26.546 973 HB3 HIS 119 HB1 HIS 119 118.650 -6.363 -28.012 974 HD1 HIS 119 HD1 HIS 119 116.959 -5.534 -24.709 975 HD2 HIS 119 HD2 HIS 119 115.963 -6.814 -28.549 976 HE1 HIS 119 HE1 HIS 119 114.430 -5.545 -24.827 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 72.659 -9.723 -11.247 2 H2 ARG 1 HT2 ARG 1 71.098 -9.197 -10.830 3 H3 ARG 1 HT3 ARG 1 71.985 -8.372 -12.021 4 HA ARG 1 HA ARG 1 71.299 -9.721 -13.622 5 HB2 ARG 1 HB2 ARG 1 72.997 -11.362 -12.774 6 HB3 ARG 1 HB1 ARG 1 71.756 -12.043 -11.722 7 HG2 ARG 1 HG2 ARG 1 70.351 -12.506 -13.738 8 HG3 ARG 1 HG1 ARG 1 71.671 -11.926 -14.752 9 HD2 ARG 1 HD2 ARG 1 71.926 -14.211 -12.780 10 HD3 ARG 1 HD1 ARG 1 71.605 -14.425 -14.496 11 HE ARG 1 HE ARG 1 74.132 -13.636 -13.281 12 HH11 ARG 1 HH11 ARG 1 73.971 -15.701 -15.431 13 HH12 ARG 1 HH12 ARG 1 74.537 -14.842 -16.825 14 HH21 ARG 1 HH21 ARG 1 74.089 -11.712 -15.407 15 HH22 ARG 1 HH22 ARG 1 74.588 -12.585 -16.817 16 H MET 2 HN MET 2 70.106 -10.379 -10.384 17 HA MET 2 HA MET 2 67.651 -11.590 -11.059 18 HB2 MET 2 HB2 MET 2 68.436 -9.901 -8.675 19 HB3 MET 2 HB1 MET 2 66.934 -10.818 -8.790 20 HG2 MET 2 HG2 MET 2 68.472 -12.207 -7.595 21 HG3 MET 2 HG1 MET 2 68.375 -12.877 -9.224 22 HE1 MET 2 HE1 MET 2 72.086 -13.131 -7.639 23 HE2 MET 2 HE2 MET 2 70.549 -13.974 -7.812 24 HE3 MET 2 HE3 MET 2 70.711 -12.690 -6.616 25 H ALA 3 HN ALA 3 68.598 -8.210 -10.645 26 HA ALA 3 HA ALA 3 66.034 -7.056 -10.824 27 HB1 ALA 3 HB1 ALA 3 68.224 -5.946 -10.125 28 HB2 ALA 3 HB2 ALA 3 67.161 -4.990 -11.158 29 HB3 ALA 3 HB3 ALA 3 68.575 -5.789 -11.845 30 H HIS 4 HN HIS 4 64.725 -6.590 -12.503 31 HA HIS 4 HA HIS 4 65.378 -7.671 -15.116 32 HB2 HIS 4 HB2 HIS 4 62.912 -6.175 -14.187 33 HB3 HIS 4 HB1 HIS 4 63.081 -7.060 -15.703 34 HD1 HIS 4 HD1 HIS 4 63.796 -9.732 -15.295 35 HD2 HIS 4 HD2 HIS 4 61.879 -7.745 -12.170 36 HE1 HIS 4 HE1 HIS 4 62.862 -11.525 -13.771 37 H GLU 5 HN GLU 5 65.541 -4.637 -13.522 38 HA GLU 5 HA GLU 5 66.298 -3.325 -16.063 39 HB2 GLU 5 HB2 GLU 5 64.460 -2.187 -13.939 40 HB3 GLU 5 HB1 GLU 5 65.179 -1.241 -15.242 41 HG2 GLU 5 HG2 GLU 5 64.090 -2.689 -16.910 42 HG3 GLU 5 HG1 GLU 5 63.386 -3.656 -15.617 43 H GLY 6 HN GLY 6 66.025 -2.354 -12.641 44 HA2 GLY 6 HA2 GLY 6 68.834 -2.404 -12.132 45 HA3 GLY 6 HA1 GLY 6 68.294 -0.770 -12.507 46 H ALA 7 HN ALA 7 69.317 -1.164 -10.020 47 HA ALA 7 HA ALA 7 67.450 -1.968 -8.043 48 HB1 ALA 7 HB1 ALA 7 68.899 -0.518 -6.521 49 HB2 ALA 7 HB2 ALA 7 69.867 -0.160 -7.953 50 HB3 ALA 7 HB3 ALA 7 69.728 -1.821 -7.376 51 H LEU 8 HN LEU 8 66.014 -0.790 -6.794 52 HA LEU 8 HA LEU 8 64.807 1.469 -8.102 53 HB2 LEU 8 HB2 LEU 8 64.241 0.171 -5.422 54 HB3 LEU 8 HB1 LEU 8 63.274 1.463 -6.120 55 HG LEU 8 HG LEU 8 62.245 -0.722 -6.558 56 HD11 LEU 8 HD11 LEU 8 62.373 1.240 -8.325 57 HD12 LEU 8 HD12 LEU 8 61.685 -0.319 -8.768 58 HD13 LEU 8 HD13 LEU 8 63.335 0.078 -9.240 59 HD21 LEU 8 HD21 LEU 8 63.316 -2.502 -7.628 60 HD22 LEU 8 HD22 LEU 8 64.599 -1.868 -6.602 61 HD23 LEU 8 HD23 LEU 8 64.567 -1.477 -8.323 62 H THR 9 HN THR 9 64.902 3.597 -7.579 63 HA THR 9 HA THR 9 67.158 4.515 -6.092 64 HB THR 9 HB THR 9 66.515 5.906 -7.881 65 HG1 THR 9 HG1 THR 9 66.043 7.834 -6.833 66 HG21 THR 9 HG21 THR 9 64.196 6.862 -8.028 67 HG22 THR 9 HG22 THR 9 63.724 5.791 -6.709 68 HG23 THR 9 HG23 THR 9 64.257 5.115 -8.248 69 H GLY 10 HN GLY 10 67.276 5.547 -4.119 70 HA2 GLY 10 HA2 GLY 10 65.611 6.617 -2.380 71 HA3 GLY 10 HA1 GLY 10 65.097 4.937 -2.243 72 H VAL 11 HN VAL 11 65.883 4.134 -0.398 73 HA VAL 11 HA VAL 11 68.543 4.944 0.566 74 HB VAL 11 HB VAL 11 66.320 3.323 1.846 75 HG11 VAL 11 HG11 VAL 11 69.051 4.133 2.893 76 HG12 VAL 11 HG12 VAL 11 68.435 2.491 2.700 77 HG13 VAL 11 HG13 VAL 11 67.739 3.555 3.918 78 HG21 VAL 11 HG21 VAL 11 66.212 5.296 3.362 79 HG22 VAL 11 HG22 VAL 11 65.849 5.725 1.690 80 HG23 VAL 11 HG23 VAL 11 67.431 6.099 2.374 81 H THR 12 HN THR 12 70.283 3.690 0.329 82 HA THR 12 HA THR 12 69.912 0.844 -0.450 83 HB THR 12 HB THR 12 71.854 1.022 -1.846 84 HG1 THR 12 HG1 THR 12 72.169 3.415 -0.437 85 HG21 THR 12 HG21 THR 12 69.602 2.085 -2.597 86 HG22 THR 12 HG22 THR 12 71.053 2.452 -3.528 87 HG23 THR 12 HG23 THR 12 70.434 3.625 -2.367 88 H THR 13 HN THR 13 72.781 2.723 0.459 89 HA THR 13 HA THR 13 74.311 2.474 2.130 90 HB THR 13 HB THR 13 72.311 0.839 3.681 91 HG1 THR 13 HG1 THR 13 71.968 3.296 2.642 92 HG21 THR 13 HG21 THR 13 73.389 1.751 5.568 93 HG22 THR 13 HG22 THR 13 74.095 3.072 4.640 94 HG23 THR 13 HG23 THR 13 74.716 1.432 4.455 95 H ASP 14 HN ASP 14 73.888 -0.136 3.868 96 HA ASP 14 HA ASP 14 74.433 -2.273 2.060 97 HB2 ASP 14 HB2 ASP 14 76.573 -0.771 2.083 98 HB3 ASP 14 HB1 ASP 14 76.856 -1.488 3.666 99 H GLN 15 HN GLN 15 75.879 -3.980 3.604 100 HA GLN 15 HA GLN 15 73.970 -4.665 5.642 101 HB2 GLN 15 HB2 GLN 15 75.336 -6.656 5.960 102 HB3 GLN 15 HB1 GLN 15 75.078 -6.372 4.238 103 HG2 GLN 15 HG2 GLN 15 77.305 -5.142 4.227 104 HG3 GLN 15 HG1 GLN 15 77.560 -5.763 5.857 105 HE21 GLN 15 HE21 GLN 15 79.461 -6.918 4.762 106 HE22 GLN 15 HE22 GLN 15 79.150 -8.404 4.004 107 H LYS 16 HN LYS 16 74.383 -4.975 7.857 108 HA LYS 16 HA LYS 16 76.647 -3.410 8.982 109 HB2 LYS 16 HB2 LYS 16 73.766 -3.560 9.903 110 HB3 LYS 16 HB1 LYS 16 75.068 -2.847 10.856 111 HG2 LYS 16 HG2 LYS 16 75.518 -1.232 9.061 112 HG3 LYS 16 HG1 LYS 16 74.242 -1.956 8.078 113 HD2 LYS 16 HD2 LYS 16 72.578 -1.388 9.803 114 HD3 LYS 16 HD1 LYS 16 73.849 -0.677 10.801 115 HE2 LYS 16 HE2 LYS 16 72.713 1.095 9.573 116 HE3 LYS 16 HE1 LYS 16 74.353 0.916 8.949 117 HZ1 LYS 16 HZ1 LYS 16 71.851 -0.134 7.751 118 HZ2 LYS 16 HZ2 LYS 16 73.403 -0.568 7.215 119 HZ3 LYS 16 HZ3 LYS 16 72.884 1.045 7.107 120 H GLU 17 HN GLU 17 75.749 -6.400 8.477 121 HA GLU 17 HA GLU 17 75.647 -7.559 11.081 122 HB2 GLU 17 HB2 GLU 17 75.883 -9.690 9.928 123 HB3 GLU 17 HB1 GLU 17 74.724 -8.670 9.080 124 HG2 GLU 17 HG2 GLU 17 76.558 -7.966 7.525 125 HG3 GLU 17 HG1 GLU 17 77.623 -9.125 8.319 126 H LYS 18 HN LYS 18 77.291 -9.413 11.495 127 HA LYS 18 HA LYS 18 79.670 -8.264 12.354 128 HB2 LYS 18 HB2 LYS 18 79.045 -11.156 11.710 129 HB3 LYS 18 HB1 LYS 18 80.514 -10.631 12.530 130 HG2 LYS 18 HG2 LYS 18 79.193 -9.648 14.342 131 HG3 LYS 18 HG1 LYS 18 77.699 -10.051 13.501 132 HD2 LYS 18 HD2 LYS 18 77.936 -11.797 15.073 133 HD3 LYS 18 HD1 LYS 18 78.543 -12.500 13.576 134 HE2 LYS 18 HE2 LYS 18 80.835 -12.141 14.256 135 HE3 LYS 18 HE1 LYS 18 80.325 -11.194 15.654 136 HZ1 LYS 18 HZ1 LYS 18 80.386 -13.106 16.761 137 HZ2 LYS 18 HZ2 LYS 18 80.501 -14.031 15.340 138 HZ3 LYS 18 HZ3 LYS 18 78.980 -13.545 15.920 139 H GLN 19 HN GLN 19 81.828 -8.284 11.554 140 HA GLN 19 HA GLN 19 82.316 -9.240 8.848 141 HB2 GLN 19 HB2 GLN 19 82.567 -6.340 9.685 142 HB3 GLN 19 HB1 GLN 19 83.423 -7.015 8.301 143 HG2 GLN 19 HG2 GLN 19 81.347 -7.599 7.215 144 HG3 GLN 19 HG1 GLN 19 80.416 -7.155 8.641 145 HE21 GLN 19 HE21 GLN 19 79.410 -5.754 6.745 146 HE22 GLN 19 HE22 GLN 19 80.064 -4.198 6.573 147 H LYS 20 HN LYS 20 84.545 -9.696 8.556 148 HA LYS 20 HA LYS 20 86.098 -9.769 11.049 149 HB2 LYS 20 HB2 LYS 20 87.701 -11.121 9.566 150 HB3 LYS 20 HB1 LYS 20 86.162 -11.859 9.995 151 HG2 LYS 20 HG2 LYS 20 85.240 -11.055 7.788 152 HG3 LYS 20 HG1 LYS 20 86.863 -10.519 7.363 153 HD2 LYS 20 HD2 LYS 20 86.071 -13.356 8.076 154 HD3 LYS 20 HD1 LYS 20 86.400 -12.761 6.451 155 HE2 LYS 20 HE2 LYS 20 88.704 -12.019 7.469 156 HE3 LYS 20 HE1 LYS 20 88.321 -13.198 8.725 157 HZ1 LYS 20 HZ1 LYS 20 88.686 -13.652 5.829 158 HZ2 LYS 20 HZ2 LYS 20 87.853 -14.769 6.802 159 HZ3 LYS 20 HZ3 LYS 20 89.478 -14.402 7.129 160 HA PRO 21 HA PRO 21 88.178 -6.167 9.133 161 HB2 PRO 21 HB2 PRO 21 89.540 -5.613 11.651 162 HB3 PRO 21 HB1 PRO 21 88.273 -4.665 10.856 163 HG2 PRO 21 HG2 PRO 21 87.940 -6.067 13.211 164 HG3 PRO 21 HG1 PRO 21 86.628 -5.584 12.126 165 HD2 PRO 21 HD2 PRO 21 87.908 -8.272 12.452 166 HD3 PRO 21 HD1 PRO 21 86.232 -7.845 12.060 167 H ASP 22 HN ASP 22 90.178 -6.052 8.168 168 HA ASP 22 HA ASP 22 92.596 -7.070 9.174 169 HB2 ASP 22 HB2 ASP 22 91.441 -9.281 8.888 170 HB3 ASP 22 HB1 ASP 22 91.297 -8.936 7.172 171 H ILE 23 HN ILE 23 93.726 -5.405 8.182 172 HA ILE 23 HA ILE 23 93.146 -4.730 5.436 173 HB ILE 23 HB ILE 23 94.873 -3.031 5.612 174 HG12 ILE 23 HG12 ILE 23 95.375 -3.862 8.472 175 HG13 ILE 23 HG11 ILE 23 96.332 -4.554 7.176 176 HG21 ILE 23 HG21 ILE 23 93.878 -1.714 7.436 177 HG22 ILE 23 HG22 ILE 23 93.133 -3.172 8.090 178 HG23 ILE 23 HG23 ILE 23 92.631 -2.557 6.514 179 HD11 ILE 23 HD11 ILE 23 96.935 -2.268 6.411 180 HD12 ILE 23 HD12 ILE 23 97.472 -2.584 8.061 181 HD13 ILE 23 HD13 ILE 23 96.035 -1.602 7.775 182 H VAL 24 HN VAL 24 94.515 -4.829 3.678 183 HA VAL 24 HA VAL 24 96.648 -6.890 3.834 184 HB VAL 24 HB VAL 24 94.715 -6.199 1.610 185 HG11 VAL 24 HG11 VAL 24 97.288 -7.790 1.557 186 HG12 VAL 24 HG12 VAL 24 96.806 -6.472 0.491 187 HG13 VAL 24 HG13 VAL 24 96.008 -8.041 0.371 188 HG21 VAL 24 HG21 VAL 24 94.083 -8.538 1.817 189 HG22 VAL 24 HG22 VAL 24 94.006 -7.792 3.412 190 HG23 VAL 24 HG23 VAL 24 95.374 -8.820 2.986 191 H LEU 25 HN LEU 25 98.650 -6.302 3.140 192 HA LEU 25 HA LEU 25 98.974 -3.916 1.487 193 HB2 LEU 25 HB2 LEU 25 100.717 -3.049 3.205 194 HB3 LEU 25 HB1 LEU 25 99.015 -2.758 3.501 195 HG LEU 25 HG LEU 25 100.363 -3.572 5.500 196 HD11 LEU 25 HD11 LEU 25 98.273 -5.661 5.101 197 HD12 LEU 25 HD12 LEU 25 97.743 -3.984 4.951 198 HD13 LEU 25 HD13 LEU 25 98.519 -4.533 6.425 199 HD21 LEU 25 HD21 LEU 25 100.234 -6.255 4.105 200 HD22 LEU 25 HD22 LEU 25 101.014 -5.873 5.638 201 HD23 LEU 25 HD23 LEU 25 101.680 -5.243 4.134 202 H TYR 26 HN TYR 26 101.636 -3.499 1.763 203 HA TYR 26 HA TYR 26 102.876 -5.151 0.007 204 HB2 TYR 26 HB2 TYR 26 103.968 -3.596 2.329 205 HB3 TYR 26 HB1 TYR 26 105.035 -4.461 1.226 206 HD1 TYR 26 HD1 TYR 26 105.636 -3.489 -0.855 207 HD2 TYR 26 HD2 TYR 26 102.287 -1.926 1.337 208 HE1 TYR 26 HE1 TYR 26 105.457 -1.598 -2.458 209 HE2 TYR 26 HE2 TYR 26 102.106 -0.065 -0.266 210 HH TYR 26 HH TYR 26 104.538 0.712 -2.474 211 HA PRO 27 HA PRO 27 102.920 -8.854 2.698 212 HB2 PRO 27 HB2 PRO 27 103.758 -10.481 0.449 213 HB3 PRO 27 HB1 PRO 27 102.191 -10.466 1.267 214 HG2 PRO 27 HG2 PRO 27 102.751 -9.505 -1.323 215 HG3 PRO 27 HG1 PRO 27 101.252 -9.286 -0.409 216 HD2 PRO 27 HD2 PRO 27 103.374 -7.322 -0.969 217 HD3 PRO 27 HD1 PRO 27 101.719 -7.055 -0.387 218 H GLU 28 HN GLU 28 105.395 -7.519 0.677 219 HA GLU 28 HA GLU 28 107.439 -8.348 2.542 220 HB2 GLU 28 HB2 GLU 28 107.149 -10.285 0.927 221 HB3 GLU 28 HB1 GLU 28 107.708 -9.206 -0.348 222 HG2 GLU 28 HG2 GLU 28 109.620 -10.438 0.387 223 HG3 GLU 28 HG1 GLU 28 109.795 -8.819 1.052 224 HA PRO 29 HA PRO 29 108.736 -4.207 1.340 225 HB2 PRO 29 HB2 PRO 29 111.571 -4.806 1.568 226 HB3 PRO 29 HB1 PRO 29 110.554 -3.888 2.686 227 HG2 PRO 29 HG2 PRO 29 111.485 -6.645 2.887 228 HG3 PRO 29 HG1 PRO 29 110.798 -5.599 4.136 229 HD2 PRO 29 HD2 PRO 29 109.493 -7.768 3.059 230 HD3 PRO 29 HD1 PRO 29 108.656 -6.390 3.799 231 H VAL 30 HN VAL 30 109.680 -3.153 -0.548 232 HA VAL 30 HA VAL 30 110.773 -4.993 -2.594 233 HB VAL 30 HB VAL 30 108.425 -3.132 -3.017 234 HG11 VAL 30 HG11 VAL 30 108.505 -4.183 -5.349 235 HG12 VAL 30 HG12 VAL 30 110.127 -4.739 -4.935 236 HG13 VAL 30 HG13 VAL 30 109.773 -3.012 -4.985 237 HG21 VAL 30 HG21 VAL 30 107.531 -5.518 -3.844 238 HG22 VAL 30 HG22 VAL 30 107.455 -5.065 -2.144 239 HG23 VAL 30 HG23 VAL 30 108.749 -6.112 -2.718 240 H ARG 31 HN ARG 31 112.233 -4.179 -3.940 241 HA ARG 31 HA ARG 31 112.855 -1.282 -3.810 242 HB2 ARG 31 HB2 ARG 31 115.238 -1.866 -3.968 243 HB3 ARG 31 HB1 ARG 31 114.523 -2.576 -2.520 244 HG2 ARG 31 HG2 ARG 31 114.235 -4.725 -3.742 245 HG3 ARG 31 HG1 ARG 31 115.015 -4.012 -5.151 246 HD2 ARG 31 HD2 ARG 31 117.060 -3.627 -3.839 247 HD3 ARG 31 HD1 ARG 31 116.290 -4.346 -2.427 248 HE ARG 31 HE ARG 31 116.254 -6.089 -4.719 249 HH11 ARG 31 HH11 ARG 31 118.570 -6.885 -5.130 250 HH12 ARG 31 HH12 ARG 31 119.381 -7.436 -3.703 251 HH21 ARG 31 HH21 ARG 31 117.122 -5.964 -1.527 252 HH22 ARG 31 HH22 ARG 31 118.562 -6.917 -1.667 253 H VAL 32 HN VAL 32 113.280 -0.309 -5.774 254 HA VAL 32 HA VAL 32 113.391 -2.058 -8.169 255 HB VAL 32 HB VAL 32 111.154 -0.679 -7.494 256 HG11 VAL 32 HG11 VAL 32 112.413 1.495 -7.635 257 HG12 VAL 32 HG12 VAL 32 110.980 1.423 -8.647 258 HG13 VAL 32 HG13 VAL 32 112.578 1.232 -9.366 259 HG21 VAL 32 HG21 VAL 32 110.972 -2.141 -9.304 260 HG22 VAL 32 HG22 VAL 32 112.323 -1.412 -10.164 261 HG23 VAL 32 HG23 VAL 32 110.768 -0.582 -10.104 262 H LEU 33 HN LEU 33 114.372 -0.992 -10.075 263 HA LEU 33 HA LEU 33 116.569 0.796 -9.231 264 HB2 LEU 33 HB2 LEU 33 116.323 -0.784 -11.804 265 HB3 LEU 33 HB1 LEU 33 117.765 0.002 -11.165 266 HG LEU 33 HG LEU 33 116.292 -2.320 -9.886 267 HD11 LEU 33 HD11 LEU 33 118.928 -2.096 -11.359 268 HD12 LEU 33 HD12 LEU 33 117.535 -3.086 -11.794 269 HD13 LEU 33 HD13 LEU 33 118.491 -3.486 -10.367 270 HD21 LEU 33 HD21 LEU 33 118.480 -2.269 -8.449 271 HD22 LEU 33 HD22 LEU 33 117.196 -1.125 -8.068 272 HD23 LEU 33 HD23 LEU 33 118.603 -0.595 -8.990 273 H GLU 34 HN GLU 34 116.797 2.817 -10.038 274 HA GLU 34 HA GLU 34 114.789 4.364 -11.008 275 HB2 GLU 34 HB2 GLU 34 117.047 5.179 -10.352 276 HB3 GLU 34 HB1 GLU 34 117.668 4.622 -11.903 277 HG2 GLU 34 HG2 GLU 34 116.013 6.107 -13.053 278 HG3 GLU 34 HG1 GLU 34 115.514 6.714 -11.477 279 H GLY 35 HN GLY 35 113.577 4.430 -12.796 280 HA2 GLY 35 HA2 GLY 35 113.321 4.584 -15.169 281 HA3 GLY 35 HA1 GLY 35 114.737 3.560 -15.380 282 H GLU 36 HN GLU 36 112.879 2.350 -12.895 283 HA GLU 36 HA GLU 36 111.475 0.430 -14.679 284 HB2 GLU 36 HB2 GLU 36 112.625 0.042 -11.907 285 HB3 GLU 36 HB1 GLU 36 111.677 -1.165 -12.774 286 HG2 GLU 36 HG2 GLU 36 113.371 -1.101 -14.610 287 HG3 GLU 36 HG1 GLU 36 114.331 0.012 -13.636 288 H THR 37 HN THR 37 109.297 0.587 -14.584 289 HA THR 37 HA THR 37 108.048 2.255 -12.569 290 HB THR 37 HB THR 37 106.070 2.063 -13.843 291 HG1 THR 37 HG1 THR 37 106.745 0.165 -15.619 292 HG21 THR 37 HG21 THR 37 108.023 3.180 -14.985 293 HG22 THR 37 HG22 THR 37 106.776 2.584 -16.078 294 HG23 THR 37 HG23 THR 37 108.278 1.681 -15.874 295 H ALA 38 HN ALA 38 107.080 1.614 -10.745 296 HA ALA 38 HA ALA 38 106.847 -1.292 -10.233 297 HB1 ALA 38 HB1 ALA 38 108.144 0.448 -8.685 298 HB2 ALA 38 HB2 ALA 38 107.251 -0.907 -7.995 299 HB3 ALA 38 HB3 ALA 38 106.532 0.698 -8.021 300 H ARG 39 HN ARG 39 105.068 -1.854 -8.690 301 HA ARG 39 HA ARG 39 102.624 -0.289 -8.941 302 HB2 ARG 39 HB2 ARG 39 102.918 -3.012 -10.226 303 HB3 ARG 39 HB1 ARG 39 101.359 -2.289 -9.841 304 HG2 ARG 39 HG2 ARG 39 101.886 -0.365 -11.292 305 HG3 ARG 39 HG1 ARG 39 103.450 -1.081 -11.675 306 HD2 ARG 39 HD2 ARG 39 101.867 -1.610 -13.447 307 HD3 ARG 39 HD1 ARG 39 102.315 -3.075 -12.580 308 HE ARG 39 HE ARG 39 99.972 -1.943 -11.437 309 HH11 ARG 39 HH11 ARG 39 97.995 -2.949 -11.907 310 HH12 ARG 39 HH12 ARG 39 97.877 -4.027 -13.258 311 HH21 ARG 39 HH21 ARG 39 101.192 -3.645 -14.190 312 HH22 ARG 39 HH22 ARG 39 99.686 -4.421 -14.550 313 H PHE 40 HN PHE 40 101.699 -0.386 -7.025 314 HA PHE 40 HA PHE 40 101.817 -2.914 -5.490 315 HB2 PHE 40 HB2 PHE 40 102.146 -0.129 -4.341 316 HB3 PHE 40 HB1 PHE 40 102.076 -1.628 -3.421 317 HD1 PHE 40 HD1 PHE 40 104.287 0.737 -4.680 318 HD2 PHE 40 HD2 PHE 40 103.785 -3.528 -4.434 319 HE1 PHE 40 HE1 PHE 40 106.731 0.431 -4.952 320 HE2 PHE 40 HE2 PHE 40 106.233 -3.821 -4.707 321 HZ PHE 40 HZ PHE 40 107.700 -1.846 -4.970 322 H ARG 41 HN ARG 41 100.071 -3.180 -4.029 323 HA ARG 41 HA ARG 41 97.702 -1.479 -4.581 324 HB2 ARG 41 HB2 ARG 41 97.756 -4.509 -4.413 325 HB3 ARG 41 HB1 ARG 41 96.301 -3.522 -4.486 326 HG2 ARG 41 HG2 ARG 41 96.512 -3.946 -6.750 327 HG3 ARG 41 HG1 ARG 41 97.557 -2.532 -6.667 328 HD2 ARG 41 HD2 ARG 41 98.772 -4.221 -7.854 329 HD3 ARG 41 HD1 ARG 41 99.487 -4.097 -6.252 330 HE ARG 41 HE ARG 41 98.716 -6.243 -5.776 331 HH11 ARG 41 HH11 ARG 41 97.652 -5.141 -8.871 332 HH12 ARG 41 HH12 ARG 41 96.789 -6.592 -9.248 333 HH21 ARG 41 HH21 ARG 41 97.445 -8.087 -6.184 334 HH22 ARG 41 HH22 ARG 41 96.676 -8.269 -7.725 335 H CYS 42 HN CYS 42 96.264 -1.265 -2.872 336 HA CYS 42 HA CYS 42 96.909 -2.557 -0.333 337 HB2 CYS 42 HB2 CYS 42 96.694 0.443 -0.447 338 HB3 CYS 42 HB1 CYS 42 97.274 -0.572 0.876 339 HG CYS 42 HG CYS 42 99.494 -0.893 -0.308 340 H ARG 43 HN ARG 43 95.055 -3.170 0.555 341 HA ARG 43 HA ARG 43 92.589 -1.593 0.055 342 HB2 ARG 43 HB2 ARG 43 92.717 -3.605 -1.455 343 HB3 ARG 43 HB1 ARG 43 92.825 -4.624 -0.023 344 HG2 ARG 43 HG2 ARG 43 90.622 -3.971 0.700 345 HG3 ARG 43 HG1 ARG 43 90.526 -2.720 -0.537 346 HD2 ARG 43 HD2 ARG 43 89.243 -4.669 -1.243 347 HD3 ARG 43 HD1 ARG 43 90.655 -4.492 -2.280 348 HE ARG 43 HE ARG 43 91.496 -6.482 -1.402 349 HH11 ARG 43 HH11 ARG 43 90.914 -8.519 -0.510 350 HH12 ARG 43 HH12 ARG 43 89.834 -8.566 0.843 351 HH21 ARG 43 HH21 ARG 43 89.187 -5.163 0.784 352 HH22 ARG 43 HH22 ARG 43 88.863 -6.668 1.579 353 H VAL 44 HN VAL 44 90.792 -2.478 1.766 354 HA VAL 44 HA VAL 44 92.138 -3.186 4.271 355 HB VAL 44 HB VAL 44 90.510 -1.717 5.425 356 HG11 VAL 44 HG11 VAL 44 92.858 -0.973 4.645 357 HG12 VAL 44 HG12 VAL 44 91.711 0.295 5.073 358 HG13 VAL 44 HG13 VAL 44 92.016 -0.082 3.377 359 HG21 VAL 44 HG21 VAL 44 88.728 -1.608 3.822 360 HG22 VAL 44 HG22 VAL 44 89.808 -0.995 2.570 361 HG23 VAL 44 HG23 VAL 44 89.386 0.020 3.945 362 H THR 45 HN THR 45 90.255 -4.042 5.850 363 HA THR 45 HA THR 45 88.154 -5.379 4.250 364 HB THR 45 HB THR 45 89.735 -6.718 6.455 365 HG1 THR 45 HG1 THR 45 89.850 -6.842 3.639 366 HG21 THR 45 HG21 THR 45 87.423 -7.472 6.306 367 HG22 THR 45 HG22 THR 45 88.494 -8.725 5.682 368 HG23 THR 45 HG23 THR 45 87.583 -7.704 4.568 369 H GLY 46 HN GLY 46 86.221 -5.157 5.040 370 HA2 GLY 46 HA2 GLY 46 85.213 -5.313 7.523 371 HA3 GLY 46 HA1 GLY 46 85.863 -3.678 7.523 372 H TYR 47 HN TYR 47 84.799 -2.071 6.459 373 HA TYR 47 HA TYR 47 82.415 -2.783 4.879 374 HB2 TYR 47 HB2 TYR 47 81.503 -0.592 6.321 375 HB3 TYR 47 HB1 TYR 47 81.112 -2.267 6.681 376 HD1 TYR 47 HD1 TYR 47 81.310 -2.771 8.957 377 HD2 TYR 47 HD2 TYR 47 84.101 -0.036 7.156 378 HE1 TYR 47 HE1 TYR 47 82.470 -2.520 11.127 379 HE2 TYR 47 HE2 TYR 47 85.262 0.204 9.333 380 HH TYR 47 HH TYR 47 83.906 -1.001 12.271 381 HA PRO 48 HA PRO 48 83.501 0.571 2.268 382 HB2 PRO 48 HB2 PRO 48 80.866 1.808 2.050 383 HB3 PRO 48 HB1 PRO 48 81.689 0.747 0.895 384 HG2 PRO 48 HG2 PRO 48 79.468 0.018 2.327 385 HG3 PRO 48 HG1 PRO 48 80.662 -1.129 1.697 386 HD2 PRO 48 HD2 PRO 48 80.356 -0.058 4.478 387 HD3 PRO 48 HD1 PRO 48 80.773 -1.698 3.941 388 H GLN 49 HN GLN 49 83.981 2.715 1.969 389 HA GLN 49 HA GLN 49 84.792 4.727 2.671 390 HB2 GLN 49 HB2 GLN 49 82.038 5.018 3.861 391 HB3 GLN 49 HB1 GLN 49 83.089 6.297 3.249 392 HG2 GLN 49 HG2 GLN 49 82.973 5.266 0.983 393 HG3 GLN 49 HG1 GLN 49 81.847 4.066 1.612 394 HE21 GLN 49 HE21 GLN 49 79.649 4.725 1.992 395 HE22 GLN 49 HE22 GLN 49 79.070 6.258 1.550 396 HA PRO 50 HA PRO 50 85.425 3.838 7.172 397 HB2 PRO 50 HB2 PRO 50 88.106 2.851 6.658 398 HB3 PRO 50 HB1 PRO 50 86.710 1.925 7.231 399 HG2 PRO 50 HG2 PRO 50 87.885 1.560 4.777 400 HG3 PRO 50 HG1 PRO 50 86.197 1.160 5.136 401 HD2 PRO 50 HD2 PRO 50 87.299 3.642 3.812 402 HD3 PRO 50 HD1 PRO 50 85.903 2.640 3.344 403 H LYS 51 HN LYS 51 87.677 4.591 8.396 404 HA LYS 51 HA LYS 51 88.505 7.148 7.120 405 HB2 LYS 51 HB2 LYS 51 88.482 6.360 10.058 406 HB3 LYS 51 HB1 LYS 51 88.959 7.930 9.406 407 HG2 LYS 51 HG2 LYS 51 86.697 8.220 8.452 408 HG3 LYS 51 HG1 LYS 51 86.217 6.665 9.125 409 HD2 LYS 51 HD2 LYS 51 86.697 7.514 11.404 410 HD3 LYS 51 HD1 LYS 51 87.129 9.080 10.715 411 HE2 LYS 51 HE2 LYS 51 84.880 9.378 11.332 412 HE3 LYS 51 HE1 LYS 51 84.770 8.994 9.615 413 HZ1 LYS 51 HZ1 LYS 51 83.352 7.424 10.293 414 HZ2 LYS 51 HZ2 LYS 51 83.890 7.475 11.905 415 HZ3 LYS 51 HZ3 LYS 51 84.736 6.557 10.751 416 H VAL 52 HN VAL 52 90.481 6.834 6.156 417 HA VAL 52 HA VAL 52 92.613 5.564 7.709 418 HB VAL 52 HB VAL 52 93.225 3.971 5.989 419 HG11 VAL 52 HG11 VAL 52 90.243 3.712 6.438 420 HG12 VAL 52 HG12 VAL 52 91.441 3.327 7.665 421 HG13 VAL 52 HG13 VAL 52 91.395 2.408 6.163 422 HG21 VAL 52 HG21 VAL 52 91.594 3.655 4.051 423 HG22 VAL 52 HG22 VAL 52 92.609 5.095 3.985 424 HG23 VAL 52 HG23 VAL 52 90.927 5.228 4.488 425 H ASN 53 HN ASN 53 94.725 5.727 6.604 426 HA ASN 53 HA ASN 53 95.059 7.464 4.353 427 HB2 ASN 53 HB2 ASN 53 96.422 9.176 5.579 428 HB3 ASN 53 HB1 ASN 53 94.696 9.255 5.914 429 HD21 ASN 53 HD21 ASN 53 96.700 10.291 7.727 430 HD22 ASN 53 HD22 ASN 53 96.629 9.364 9.147 431 H TRP 54 HN TRP 54 97.585 7.842 4.011 432 HA TRP 54 HA TRP 54 99.123 5.706 5.354 433 HB2 TRP 54 HB2 TRP 54 99.470 5.758 2.396 434 HB3 TRP 54 HB1 TRP 54 99.478 4.392 3.509 435 HD1 TRP 54 HD1 TRP 54 97.297 6.321 1.193 436 HE1 TRP 54 HE1 TRP 54 94.930 5.306 1.107 437 HE3 TRP 54 HE3 TRP 54 97.648 3.110 5.104 438 HZ2 TRP 54 HZ2 TRP 54 93.386 3.389 2.579 439 HZ3 TRP 54 HZ3 TRP 54 95.727 1.704 5.761 440 HH2 TRP 54 HH2 TRP 54 93.590 1.836 4.507 441 H TYR 55 HN TYR 55 101.440 5.727 4.641 442 HA TYR 55 HA TYR 55 102.399 8.495 4.208 443 HB2 TYR 55 HB2 TYR 55 103.777 6.386 5.871 444 HB3 TYR 55 HB1 TYR 55 104.166 8.098 5.767 445 HD1 TYR 55 HD1 TYR 55 102.474 9.799 6.652 446 HD2 TYR 55 HD2 TYR 55 102.175 5.582 7.418 447 HE1 TYR 55 HE1 TYR 55 100.970 10.252 8.572 448 HE2 TYR 55 HE2 TYR 55 100.672 6.034 9.333 449 HH TYR 55 HH TYR 55 100.043 9.319 10.443 450 H LEU 56 HN LEU 56 103.164 8.439 2.073 451 HA LEU 56 HA LEU 56 104.644 6.111 1.093 452 HB2 LEU 56 HB2 LEU 56 103.728 8.719 -0.096 453 HB3 LEU 56 HB1 LEU 56 105.003 7.812 -0.904 454 HG LEU 56 HG LEU 56 103.543 5.832 -0.993 455 HD11 LEU 56 HD11 LEU 56 102.175 6.089 0.939 456 HD12 LEU 56 HD12 LEU 56 101.083 6.265 -0.433 457 HD13 LEU 56 HD13 LEU 56 101.641 7.692 0.443 458 HD21 LEU 56 HD21 LEU 56 103.528 7.429 -2.861 459 HD22 LEU 56 HD22 LEU 56 102.284 8.383 -2.057 460 HD23 LEU 56 HD23 LEU 56 101.918 6.759 -2.630 461 H ASN 57 HN ASN 57 106.929 5.970 0.953 462 HA ASN 57 HA ASN 57 109.051 6.470 1.610 463 HB2 ASN 57 HB2 ASN 57 108.286 9.120 0.360 464 HB3 ASN 57 HB1 ASN 57 109.925 8.526 0.610 465 HD21 ASN 57 HD21 ASN 57 109.675 5.841 -0.204 466 HD22 ASN 57 HD22 ASN 57 109.258 5.790 -1.849 467 H GLY 58 HN GLY 58 106.618 7.546 3.358 468 HA2 GLY 58 HA2 GLY 58 106.820 8.145 5.652 469 HA3 GLY 58 HA1 GLY 58 108.340 8.958 5.289 470 H GLN 59 HN GLN 59 105.618 9.410 3.175 471 HA GLN 59 HA GLN 59 105.122 12.135 4.251 472 HB2 GLN 59 HB2 GLN 59 106.439 12.214 2.164 473 HB3 GLN 59 HB1 GLN 59 105.201 11.266 1.345 474 HG2 GLN 59 HG2 GLN 59 103.548 13.051 1.773 475 HG3 GLN 59 HG1 GLN 59 104.787 14.000 2.594 476 HE21 GLN 59 HE21 GLN 59 105.273 15.691 1.159 477 HE22 GLN 59 HE22 GLN 59 105.632 15.476 -0.485 478 H LEU 60 HN LEU 60 103.037 12.554 4.742 479 HA LEU 60 HA LEU 60 100.972 10.593 4.299 480 HB2 LEU 60 HB2 LEU 60 101.287 11.808 6.439 481 HB3 LEU 60 HB1 LEU 60 100.928 13.320 5.614 482 HG LEU 60 HG LEU 60 98.674 12.471 5.046 483 HD11 LEU 60 HD11 LEU 60 98.128 10.331 6.628 484 HD12 LEU 60 HD12 LEU 60 99.801 9.966 6.217 485 HD13 LEU 60 HD13 LEU 60 98.604 10.179 4.940 486 HD21 LEU 60 HD21 LEU 60 99.091 13.744 7.146 487 HD22 LEU 60 HD22 LEU 60 99.340 12.220 7.998 488 HD23 LEU 60 HD23 LEU 60 97.759 12.600 7.318 489 H ILE 61 HN ILE 61 98.955 11.018 3.318 490 HA ILE 61 HA ILE 61 97.553 11.671 1.688 491 HB ILE 61 HB ILE 61 97.152 13.717 2.832 492 HG12 ILE 61 HG12 ILE 61 96.535 15.172 0.994 493 HG13 ILE 61 HG11 ILE 61 97.710 14.402 -0.068 494 HG21 ILE 61 HG21 ILE 61 98.478 15.784 2.241 495 HG22 ILE 61 HG22 ILE 61 99.687 14.719 1.548 496 HG23 ILE 61 HG23 ILE 61 99.303 14.624 3.274 497 HD11 ILE 61 HD11 ILE 61 96.441 12.436 -0.252 498 HD12 ILE 61 HD12 ILE 61 95.204 13.690 -0.231 499 HD13 ILE 61 HD13 ILE 61 95.539 12.761 1.230 500 H ARG 62 HN ARG 62 97.727 10.871 -0.158 501 HA ARG 62 HA ARG 62 100.103 11.323 -1.837 502 HB2 ARG 62 HB2 ARG 62 97.776 9.404 -2.158 503 HB3 ARG 62 HB1 ARG 62 99.183 9.492 -3.213 504 HG2 ARG 62 HG2 ARG 62 100.022 7.866 -1.824 505 HG3 ARG 62 HG1 ARG 62 100.430 9.231 -0.789 506 HD2 ARG 62 HD2 ARG 62 97.826 7.681 -0.621 507 HD3 ARG 62 HD1 ARG 62 99.225 7.379 0.405 508 HE ARG 62 HE ARG 62 98.797 10.016 0.802 509 HH11 ARG 62 HH11 ARG 62 98.023 9.753 3.155 510 HH12 ARG 62 HH12 ARG 62 96.351 9.321 3.294 511 HH21 ARG 62 HH21 ARG 62 96.044 8.383 -0.030 512 HH22 ARG 62 HH22 ARG 62 95.233 8.546 1.492 513 H LYS 63 HN LYS 63 99.858 11.981 -4.035 514 HA LYS 63 HA LYS 63 97.863 13.989 -4.410 515 HB2 LYS 63 HB2 LYS 63 99.851 12.791 -6.360 516 HB3 LYS 63 HB1 LYS 63 98.865 14.218 -6.681 517 HG2 LYS 63 HG2 LYS 63 100.601 14.109 -4.216 518 HG3 LYS 63 HG1 LYS 63 101.310 14.526 -5.771 519 HD2 LYS 63 HD2 LYS 63 100.098 16.511 -5.964 520 HD3 LYS 63 HD1 LYS 63 98.812 15.968 -4.894 521 HE2 LYS 63 HE2 LYS 63 100.127 17.635 -3.725 522 HE3 LYS 63 HE1 LYS 63 100.435 16.068 -2.983 523 HZ1 LYS 63 HZ1 LYS 63 102.303 16.151 -4.910 524 HZ2 LYS 63 HZ2 LYS 63 102.564 16.610 -3.295 525 HZ3 LYS 63 HZ3 LYS 63 102.216 17.787 -4.470 526 H SER 64 HN SER 64 96.178 14.049 -5.865 527 HA SER 64 HA SER 64 94.755 11.589 -6.166 528 HB2 SER 64 HB2 SER 64 92.919 12.914 -6.717 529 HB3 SER 64 HB1 SER 64 93.865 13.972 -5.673 530 HG SER 64 HG SER 64 93.471 15.188 -7.429 531 H LYS 65 HN LYS 65 93.480 12.764 -8.640 532 HA LYS 65 HA LYS 65 93.726 11.172 -10.602 533 HB2 LYS 65 HB2 LYS 65 94.155 14.132 -10.951 534 HB3 LYS 65 HB1 LYS 65 93.851 13.033 -12.297 535 HG2 LYS 65 HG2 LYS 65 91.730 12.341 -11.297 536 HG3 LYS 65 HG1 LYS 65 92.038 13.350 -9.887 537 HD2 LYS 65 HD2 LYS 65 90.626 14.706 -11.193 538 HD3 LYS 65 HD1 LYS 65 92.231 15.308 -11.592 539 HE2 LYS 65 HE2 LYS 65 92.255 14.149 -13.682 540 HE3 LYS 65 HE1 LYS 65 90.852 13.175 -13.246 541 HZ1 LYS 65 HZ1 LYS 65 89.796 14.750 -14.441 542 HZ2 LYS 65 HZ2 LYS 65 90.983 15.934 -14.167 543 HZ3 LYS 65 HZ3 LYS 65 89.827 15.592 -12.969 544 H ARG 66 HN ARG 66 96.634 13.150 -9.876 545 HA ARG 66 HA ARG 66 98.060 12.351 -12.183 546 HB2 ARG 66 HB2 ARG 66 98.778 14.191 -10.647 547 HB3 ARG 66 HB1 ARG 66 99.221 12.975 -9.448 548 HG2 ARG 66 HG2 ARG 66 100.794 11.961 -11.078 549 HG3 ARG 66 HG1 ARG 66 100.369 13.214 -12.245 550 HD2 ARG 66 HD2 ARG 66 101.179 14.947 -10.695 551 HD3 ARG 66 HD1 ARG 66 101.583 13.711 -9.512 552 HE ARG 66 HE ARG 66 103.449 13.118 -10.804 553 HH11 ARG 66 HH11 ARG 66 104.676 13.189 -12.743 554 HH12 ARG 66 HH12 ARG 66 104.436 14.509 -13.840 555 HH21 ARG 66 HH21 ARG 66 101.743 15.820 -12.108 556 HH22 ARG 66 HH22 ARG 66 102.787 15.993 -13.476 557 H PHE 67 HN PHE 67 97.685 10.915 -8.990 558 HA PHE 67 HA PHE 67 98.811 8.357 -9.994 559 HB2 PHE 67 HB2 PHE 67 98.999 9.618 -7.248 560 HB3 PHE 67 HB1 PHE 67 99.290 7.900 -7.528 561 HD1 PHE 67 HD1 PHE 67 101.171 7.153 -8.943 562 HD2 PHE 67 HD2 PHE 67 100.562 11.300 -8.016 563 HE1 PHE 67 HE1 PHE 67 103.475 7.659 -9.700 564 HE2 PHE 67 HE2 PHE 67 102.869 11.808 -8.770 565 HZ PHE 67 HZ PHE 67 104.328 9.985 -9.611 566 H ARG 68 HN ARG 68 97.635 6.448 -9.428 567 HA ARG 68 HA ARG 68 94.824 6.830 -9.178 568 HB2 ARG 68 HB2 ARG 68 96.551 4.356 -8.993 569 HB3 ARG 68 HB1 ARG 68 94.788 4.329 -8.984 570 HG2 ARG 68 HG2 ARG 68 94.707 5.354 -11.176 571 HG3 ARG 68 HG1 ARG 68 96.458 5.567 -11.182 572 HD2 ARG 68 HD2 ARG 68 95.837 3.582 -12.494 573 HD3 ARG 68 HD1 ARG 68 96.753 3.114 -11.063 574 HE ARG 68 HE ARG 68 93.978 3.073 -10.476 575 HH11 ARG 68 HH11 ARG 68 96.652 1.266 -11.657 576 HH12 ARG 68 HH12 ARG 68 95.765 -0.210 -11.835 577 HH21 ARG 68 HH21 ARG 68 92.720 1.205 -10.966 578 HH22 ARG 68 HH22 ARG 68 93.537 -0.243 -11.448 579 H VAL 69 HN VAL 69 93.747 7.274 -7.389 580 HA VAL 69 HA VAL 69 94.261 5.781 -4.958 581 HB VAL 69 HB VAL 69 95.802 7.826 -4.952 582 HG11 VAL 69 HG11 VAL 69 93.966 9.338 -5.883 583 HG12 VAL 69 HG12 VAL 69 94.865 9.965 -4.497 584 HG13 VAL 69 HG13 VAL 69 93.252 9.291 -4.269 585 HG21 VAL 69 HG21 VAL 69 93.760 7.352 -2.771 586 HG22 VAL 69 HG22 VAL 69 95.184 8.371 -2.565 587 HG23 VAL 69 HG23 VAL 69 95.375 6.651 -2.902 588 H ARG 70 HN ARG 70 92.451 5.518 -3.763 589 HA ARG 70 HA ARG 70 90.105 7.236 -4.298 590 HB2 ARG 70 HB2 ARG 70 90.130 4.209 -4.300 591 HB3 ARG 70 HB1 ARG 70 88.667 5.190 -4.225 592 HG2 ARG 70 HG2 ARG 70 89.208 6.228 -6.372 593 HG3 ARG 70 HG1 ARG 70 90.730 5.339 -6.445 594 HD2 ARG 70 HD2 ARG 70 89.081 4.193 -7.820 595 HD3 ARG 70 HD1 ARG 70 89.437 3.204 -6.408 596 HE ARG 70 HE ARG 70 87.215 4.884 -5.862 597 HH11 ARG 70 HH11 ARG 70 85.620 3.271 -5.119 598 HH12 ARG 70 HH12 ARG 70 85.152 2.067 -6.273 599 HH21 ARG 70 HH21 ARG 70 87.712 2.815 -8.490 600 HH22 ARG 70 HH22 ARG 70 86.341 1.802 -8.180 601 H TYR 71 HN TYR 71 90.105 8.239 -2.333 602 HA TYR 71 HA TYR 71 90.820 6.909 0.079 603 HB2 TYR 71 HB2 TYR 71 90.846 9.428 -0.427 604 HB3 TYR 71 HB1 TYR 71 89.108 9.394 -0.140 605 HD1 TYR 71 HD1 TYR 71 88.219 8.762 2.110 606 HD2 TYR 71 HD2 TYR 71 92.422 9.260 1.372 607 HE1 TYR 71 HE1 TYR 71 88.628 8.926 4.551 608 HE2 TYR 71 HE2 TYR 71 92.831 9.423 3.811 609 HH TYR 71 HH TYR 71 90.218 8.912 6.148 610 H ASP 72 HN ASP 72 89.558 5.015 0.111 611 HA ASP 72 HA ASP 72 87.098 5.197 1.509 612 HB2 ASP 72 HB2 ASP 72 85.704 4.138 -0.292 613 HB3 ASP 72 HB1 ASP 72 86.159 5.806 -0.634 614 H GLY 73 HN GLY 73 89.745 3.888 1.506 615 HA2 GLY 73 HA2 GLY 73 90.175 1.804 2.643 616 HA3 GLY 73 HA1 GLY 73 88.848 1.075 1.743 617 H ILE 74 HN ILE 74 89.849 2.575 -0.713 618 HA ILE 74 HA ILE 74 91.919 0.604 -1.487 619 HB ILE 74 HB ILE 74 89.916 2.172 -3.112 620 HG12 ILE 74 HG12 ILE 74 90.245 -0.809 -2.703 621 HG13 ILE 74 HG11 ILE 74 89.148 0.186 -1.744 622 HG21 ILE 74 HG21 ILE 74 91.899 1.973 -4.460 623 HG22 ILE 74 HG22 ILE 74 90.792 0.711 -4.993 624 HG23 ILE 74 HG23 ILE 74 92.150 0.304 -3.945 625 HD11 ILE 74 HD11 ILE 74 88.053 -0.929 -3.714 626 HD12 ILE 74 HD12 ILE 74 89.084 0.043 -4.763 627 HD13 ILE 74 HD13 ILE 74 87.907 0.828 -3.712 628 H HIS 75 HN HIS 75 93.894 1.312 -1.674 629 HA HIS 75 HA HIS 75 94.414 3.967 -2.826 630 HB2 HIS 75 HB2 HIS 75 96.399 3.957 -1.069 631 HB3 HIS 75 HB1 HIS 75 94.804 4.557 -0.626 632 HD1 HIS 75 HD1 HIS 75 97.287 2.717 0.860 633 HD2 HIS 75 HD2 HIS 75 93.238 1.875 0.306 634 HE1 HIS 75 HE1 HIS 75 96.658 0.995 2.604 635 H TYR 76 HN TYR 76 95.328 3.418 -4.710 636 HA TYR 76 HA TYR 76 97.259 1.205 -4.841 637 HB2 TYR 76 HB2 TYR 76 96.210 3.040 -7.015 638 HB3 TYR 76 HB1 TYR 76 97.205 1.609 -7.262 639 HD1 TYR 76 HD1 TYR 76 96.280 -0.634 -6.268 640 HD2 TYR 76 HD2 TYR 76 93.866 2.835 -7.033 641 HE1 TYR 76 HE1 TYR 76 94.249 -2.059 -6.311 642 HE2 TYR 76 HE2 TYR 76 91.836 1.409 -7.073 643 HH TYR 76 HH TYR 76 92.023 -2.083 -6.400 644 H LEU 77 HN LEU 77 99.343 1.637 -4.375 645 HA LEU 77 HA LEU 77 100.404 4.369 -4.732 646 HB2 LEU 77 HB2 LEU 77 101.785 2.056 -3.370 647 HB3 LEU 77 HB1 LEU 77 102.097 3.782 -3.182 648 HG LEU 77 HG LEU 77 99.634 2.267 -2.273 649 HD11 LEU 77 HD11 LEU 77 100.341 2.925 -0.042 650 HD12 LEU 77 HD12 LEU 77 101.684 3.858 -0.708 651 HD13 LEU 77 HD13 LEU 77 101.674 2.104 -0.850 652 HD21 LEU 77 HD21 LEU 77 98.760 4.342 -2.972 653 HD22 LEU 77 HD22 LEU 77 100.206 5.221 -2.492 654 HD23 LEU 77 HD23 LEU 77 99.099 4.613 -1.264 655 H ASP 78 HN ASP 78 100.852 4.441 -6.954 656 HA ASP 78 HA ASP 78 102.776 2.412 -7.978 657 HB2 ASP 78 HB2 ASP 78 101.837 2.899 -10.210 658 HB3 ASP 78 HB1 ASP 78 100.622 2.272 -9.093 659 H ILE 79 HN ILE 79 104.429 3.049 -9.336 660 HA ILE 79 HA ILE 79 105.039 5.939 -9.518 661 HB ILE 79 HB ILE 79 107.506 5.169 -9.346 662 HG12 ILE 79 HG12 ILE 79 106.271 2.942 -7.731 663 HG13 ILE 79 HG11 ILE 79 106.733 2.699 -9.413 664 HG21 ILE 79 HG21 ILE 79 105.584 5.222 -7.003 665 HG22 ILE 79 HG22 ILE 79 106.534 6.563 -7.645 666 HG23 ILE 79 HG23 ILE 79 107.337 5.232 -6.810 667 HD11 ILE 79 HD11 ILE 79 108.426 2.308 -7.310 668 HD12 ILE 79 HD12 ILE 79 108.814 3.979 -7.716 669 HD13 ILE 79 HD13 ILE 79 108.968 2.713 -8.936 670 H VAL 80 HN VAL 80 106.765 6.359 -11.322 671 HA VAL 80 HA VAL 80 106.448 4.434 -13.545 672 HB VAL 80 HB VAL 80 106.096 7.437 -13.820 673 HG11 VAL 80 HG11 VAL 80 105.144 6.650 -16.077 674 HG12 VAL 80 HG12 VAL 80 105.903 5.097 -15.730 675 HG13 VAL 80 HG13 VAL 80 106.891 6.550 -15.886 676 HG21 VAL 80 HG21 VAL 80 104.063 5.192 -13.730 677 HG22 VAL 80 HG22 VAL 80 103.703 6.819 -14.306 678 HG23 VAL 80 HG23 VAL 80 104.182 6.565 -12.628 679 H ASP 81 HN ASP 81 108.003 5.093 -15.365 680 HA ASP 81 HA ASP 81 110.639 5.184 -14.364 681 HB2 ASP 81 HB2 ASP 81 109.509 5.631 -17.131 682 HB3 ASP 81 HB1 ASP 81 111.238 5.544 -16.787 683 H CYS 82 HN CYS 82 110.061 7.141 -12.982 684 HA CYS 82 HA CYS 82 111.572 9.338 -13.713 685 HB2 CYS 82 HB2 CYS 82 109.454 10.971 -13.798 686 HB3 CYS 82 HB1 CYS 82 110.098 10.237 -15.265 687 HG CYS 82 HG CYS 82 107.975 8.474 -13.977 688 H LYS 83 HN LYS 83 112.132 10.287 -11.809 689 HA LYS 83 HA LYS 83 112.087 10.877 -9.610 690 HB2 LYS 83 HB2 LYS 83 109.084 10.530 -9.686 691 HB3 LYS 83 HB1 LYS 83 110.035 11.553 -8.613 692 HG2 LYS 83 HG2 LYS 83 110.742 12.927 -10.532 693 HG3 LYS 83 HG1 LYS 83 109.789 11.908 -11.612 694 HD2 LYS 83 HD2 LYS 83 107.739 12.509 -10.374 695 HD3 LYS 83 HD1 LYS 83 108.690 13.547 -9.313 696 HE2 LYS 83 HE2 LYS 83 109.359 14.929 -11.227 697 HE3 LYS 83 HE1 LYS 83 108.465 13.874 -12.320 698 HZ1 LYS 83 HZ1 LYS 83 107.387 15.640 -10.202 699 HZ2 LYS 83 HZ2 LYS 83 106.466 14.399 -10.904 700 HZ3 LYS 83 HZ3 LYS 83 107.050 15.671 -11.865 701 H SER 84 HN SER 84 113.010 8.513 -9.731 702 HA SER 84 HA SER 84 111.480 6.901 -7.790 703 HB2 SER 84 HB2 SER 84 113.091 5.615 -9.978 704 HB3 SER 84 HB1 SER 84 111.767 4.943 -9.030 705 HG SER 84 HG SER 84 111.645 6.124 -11.382 706 H TYR 85 HN TYR 85 114.617 7.694 -9.229 707 HA TYR 85 HA TYR 85 116.324 6.155 -7.668 708 HB2 TYR 85 HB2 TYR 85 117.189 7.288 -9.554 709 HB3 TYR 85 HB1 TYR 85 116.695 8.855 -8.949 710 HD1 TYR 85 HD1 TYR 85 118.619 5.951 -7.508 711 HD2 TYR 85 HD2 TYR 85 118.543 10.157 -8.358 712 HE1 TYR 85 HE1 TYR 85 120.825 6.201 -6.426 713 HE2 TYR 85 HE2 TYR 85 120.756 10.409 -7.270 714 HH TYR 85 HH TYR 85 122.838 8.321 -6.848 715 H ASP 86 HN ASP 86 114.845 6.473 -5.581 716 HA ASP 86 HA ASP 86 116.461 8.000 -3.761 717 HB2 ASP 86 HB2 ASP 86 114.916 9.715 -4.784 718 HB3 ASP 86 HB1 ASP 86 113.568 8.819 -4.085 719 H THR 87 HN THR 87 116.611 6.679 -2.058 720 HA THR 87 HA THR 87 114.604 4.641 -1.608 721 HB THR 87 HB THR 87 116.156 3.755 0.034 722 HG1 THR 87 HG1 THR 87 116.888 6.313 0.159 723 HG21 THR 87 HG21 THR 87 117.693 4.822 -2.353 724 HG22 THR 87 HG22 THR 87 116.628 3.416 -2.404 725 HG23 THR 87 HG23 THR 87 118.082 3.386 -1.406 726 H GLY 88 HN GLY 88 112.962 4.709 -0.183 727 HA2 GLY 88 HA2 GLY 88 113.121 6.571 2.108 728 HA3 GLY 88 HA1 GLY 88 111.731 6.636 1.027 729 H GLU 89 HN GLU 89 110.342 6.087 2.817 730 HA GLU 89 HA GLU 89 110.278 3.178 3.322 731 HB2 GLU 89 HB2 GLU 89 111.416 4.177 5.262 732 HB3 GLU 89 HB1 GLU 89 110.065 5.285 5.488 733 HG2 GLU 89 HG2 GLU 89 108.549 3.384 5.887 734 HG3 GLU 89 HG1 GLU 89 109.876 2.258 5.607 735 H VAL 90 HN VAL 90 108.267 2.314 3.383 736 HA VAL 90 HA VAL 90 105.979 4.177 3.150 737 HB VAL 90 HB VAL 90 106.447 1.452 1.904 738 HG11 VAL 90 HG11 VAL 90 103.927 3.108 2.170 739 HG12 VAL 90 HG12 VAL 90 104.164 1.416 2.606 740 HG13 VAL 90 HG13 VAL 90 104.126 1.892 0.908 741 HG21 VAL 90 HG21 VAL 90 105.886 2.818 -0.180 742 HG22 VAL 90 HG22 VAL 90 107.430 3.192 0.583 743 HG23 VAL 90 HG23 VAL 90 106.046 4.255 0.828 744 H LYS 91 HN LYS 91 104.278 3.839 4.436 745 HA LYS 91 HA LYS 91 104.106 1.482 6.155 746 HB2 LYS 91 HB2 LYS 91 105.412 3.128 7.464 747 HB3 LYS 91 HB1 LYS 91 104.174 4.346 7.168 748 HG2 LYS 91 HG2 LYS 91 102.514 2.949 8.360 749 HG3 LYS 91 HG1 LYS 91 103.762 1.741 8.667 750 HD2 LYS 91 HD2 LYS 91 105.083 3.420 9.907 751 HD3 LYS 91 HD1 LYS 91 103.824 4.621 9.612 752 HE2 LYS 91 HE2 LYS 91 102.197 3.188 10.812 753 HE3 LYS 91 HE1 LYS 91 103.483 2.027 11.144 754 HZ1 LYS 91 HZ1 LYS 91 103.873 3.222 12.961 755 HZ2 LYS 91 HZ2 LYS 91 102.893 4.507 12.436 756 HZ3 LYS 91 HZ3 LYS 91 104.516 4.417 11.943 757 H VAL 92 HN VAL 92 101.969 0.964 6.466 758 HA VAL 92 HA VAL 92 99.977 2.858 5.330 759 HB VAL 92 HB VAL 92 98.736 0.975 4.619 760 HG11 VAL 92 HG11 VAL 92 100.772 1.563 3.280 761 HG12 VAL 92 HG12 VAL 92 100.251 -0.113 3.092 762 HG13 VAL 92 HG13 VAL 92 101.630 0.274 4.123 763 HG21 VAL 92 HG21 VAL 92 99.678 -1.368 5.143 764 HG22 VAL 92 HG22 VAL 92 98.866 -0.533 6.456 765 HG23 VAL 92 HG23 VAL 92 100.628 -0.576 6.392 766 H THR 93 HN THR 93 98.394 3.555 6.613 767 HA THR 93 HA THR 93 97.868 2.078 9.142 768 HB THR 93 HB THR 93 99.196 4.059 9.694 769 HG1 THR 93 HG1 THR 93 97.891 4.573 11.288 770 HG21 THR 93 HG21 THR 93 98.583 5.396 7.686 771 HG22 THR 93 HG22 THR 93 98.364 6.302 9.184 772 HG23 THR 93 HG23 THR 93 96.970 5.618 8.360 773 H ALA 94 HN ALA 94 95.814 1.745 9.628 774 HA ALA 94 HA ALA 94 93.699 3.123 8.120 775 HB1 ALA 94 HB1 ALA 94 94.087 0.786 7.268 776 HB2 ALA 94 HB2 ALA 94 92.486 1.021 7.971 777 HB3 ALA 94 HB3 ALA 94 93.740 0.190 8.891 778 H GLU 95 HN GLU 95 91.848 3.525 9.364 779 HA GLU 95 HA GLU 95 91.880 2.671 12.174 780 HB2 GLU 95 HB2 GLU 95 91.985 5.518 11.199 781 HB3 GLU 95 HB1 GLU 95 91.417 5.095 12.814 782 HG2 GLU 95 HG2 GLU 95 93.575 3.998 13.275 783 HG3 GLU 95 HG1 GLU 95 94.139 4.416 11.660 784 H ASN 96 HN ASN 96 89.977 1.641 12.278 785 HA ASN 96 HA ASN 96 87.587 2.822 11.063 786 HB2 ASN 96 HB2 ASN 96 87.660 0.177 12.508 787 HB3 ASN 96 HB1 ASN 96 86.644 0.678 11.160 788 HD21 ASN 96 HD21 ASN 96 88.358 -1.737 11.266 789 HD22 ASN 96 HD22 ASN 96 89.471 -1.578 9.995 790 HA PRO 97 HA PRO 97 86.060 4.088 15.001 791 HB2 PRO 97 HB2 PRO 97 83.417 2.891 14.946 792 HB3 PRO 97 HB1 PRO 97 83.871 4.563 14.584 793 HG2 PRO 97 HG2 PRO 97 82.963 2.701 12.728 794 HG3 PRO 97 HG1 PRO 97 83.826 4.199 12.347 795 HD2 PRO 97 HD2 PRO 97 84.849 1.396 12.400 796 HD3 PRO 97 HD1 PRO 97 85.377 2.773 11.409 797 H GLU 98 HN GLU 98 85.954 0.659 14.405 798 HA GLU 98 HA GLU 98 85.563 0.084 17.270 799 HB2 GLU 98 HB2 GLU 98 84.111 -1.059 15.650 800 HB3 GLU 98 HB1 GLU 98 85.531 -1.739 14.860 801 HG2 GLU 98 HG2 GLU 98 86.106 -3.011 16.826 802 HG3 GLU 98 HG1 GLU 98 84.868 -2.197 17.780 803 H GLY 99 HN GLY 99 88.181 0.377 15.046 804 HA2 GLY 99 HA2 GLY 99 90.011 -0.547 17.016 805 HA3 GLY 99 HA1 GLY 99 89.837 -1.733 15.730 806 H VAL 100 HN VAL 100 92.232 -0.948 15.888 807 HA VAL 100 HA VAL 100 92.659 0.841 13.600 808 HB VAL 100 HB VAL 100 93.954 1.158 16.321 809 HG11 VAL 100 HG11 VAL 100 95.789 1.484 14.925 810 HG12 VAL 100 HG12 VAL 100 95.120 3.114 14.973 811 HG13 VAL 100 HG13 VAL 100 94.806 2.070 13.586 812 HG21 VAL 100 HG21 VAL 100 92.054 2.798 14.641 813 HG22 VAL 100 HG22 VAL 100 93.155 3.612 15.750 814 HG23 VAL 100 HG23 VAL 100 91.994 2.438 16.365 815 H ILE 101 HN ILE 101 94.251 0.134 12.261 816 HA ILE 101 HA ILE 101 96.096 -1.967 13.229 817 HB ILE 101 HB ILE 101 94.694 -1.986 10.547 818 HG12 ILE 101 HG12 ILE 101 94.277 -3.901 12.860 819 HG13 ILE 101 HG11 ILE 101 93.233 -2.505 12.579 820 HG21 ILE 101 HG21 ILE 101 96.734 -3.101 10.226 821 HG22 ILE 101 HG22 ILE 101 95.670 -4.427 10.694 822 HG23 ILE 101 HG23 ILE 101 96.774 -3.726 11.873 823 HD11 ILE 101 HD11 ILE 101 92.608 -3.325 10.393 824 HD12 ILE 101 HD12 ILE 101 92.389 -4.650 11.538 825 HD13 ILE 101 HD13 ILE 101 93.802 -4.620 10.481 826 H GLU 102 HN GLU 102 98.130 -2.024 12.193 827 HA GLU 102 HA GLU 102 98.758 -0.140 10.098 828 HB2 GLU 102 HB2 GLU 102 100.367 1.178 11.375 829 HB3 GLU 102 HB1 GLU 102 98.760 1.326 12.085 830 HG2 GLU 102 HG2 GLU 102 100.900 -0.588 13.082 831 HG3 GLU 102 HG1 GLU 102 100.552 0.983 13.791 832 H HIS 103 HN HIS 103 100.768 -0.514 9.135 833 HA HIS 103 HA HIS 103 102.490 -2.621 10.257 834 HB2 HIS 103 HB2 HIS 103 101.219 -2.679 7.515 835 HB3 HIS 103 HB1 HIS 103 102.616 -3.654 7.958 836 HD1 HIS 103 HD1 HIS 103 99.025 -3.730 7.933 837 HD2 HIS 103 HD2 HIS 103 101.969 -5.341 10.402 838 HE1 HIS 103 HE1 HIS 103 97.945 -5.658 9.160 839 H LYS 104 HN LYS 104 104.623 -2.250 9.897 840 HA LYS 104 HA LYS 104 105.333 0.093 8.222 841 HB2 LYS 104 HB2 LYS 104 107.397 0.197 9.562 842 HB3 LYS 104 HB1 LYS 104 105.962 0.307 10.579 843 HG2 LYS 104 HG2 LYS 104 106.166 -2.149 11.043 844 HG3 LYS 104 HG1 LYS 104 107.683 -2.152 10.140 845 HD2 LYS 104 HD2 LYS 104 108.566 -0.401 11.686 846 HD3 LYS 104 HD1 LYS 104 107.084 -0.533 12.632 847 HE2 LYS 104 HE2 LYS 104 108.939 -2.865 12.070 848 HE3 LYS 104 HE1 LYS 104 108.988 -1.900 13.546 849 HZ1 LYS 104 HZ1 LYS 104 106.557 -2.453 13.779 850 HZ2 LYS 104 HZ2 LYS 104 107.638 -3.742 14.021 851 HZ3 LYS 104 HZ3 LYS 104 106.781 -3.610 12.560 852 H VAL 105 HN VAL 105 106.447 -0.148 6.451 853 HA VAL 105 HA VAL 105 108.050 -2.590 6.012 854 HB VAL 105 HB VAL 105 107.190 -2.738 3.712 855 HG11 VAL 105 HG11 VAL 105 105.124 -3.766 4.287 856 HG12 VAL 105 HG12 VAL 105 104.843 -2.648 5.617 857 HG13 VAL 105 HG13 VAL 105 106.099 -3.879 5.748 858 HG21 VAL 105 HG21 VAL 105 106.567 -0.320 3.469 859 HG22 VAL 105 HG22 VAL 105 105.222 -0.591 4.579 860 HG23 VAL 105 HG23 VAL 105 105.254 -1.406 3.017 861 H LYS 106 HN LYS 106 109.670 -2.310 4.306 862 HA LYS 106 HA LYS 106 110.480 0.532 4.017 863 HB2 LYS 106 HB2 LYS 106 112.166 -1.932 4.498 864 HB3 LYS 106 HB1 LYS 106 112.826 -0.350 4.074 865 HG2 LYS 106 HG2 LYS 106 111.686 0.639 6.053 866 HG3 LYS 106 HG1 LYS 106 111.080 -0.957 6.482 867 HD2 LYS 106 HD2 LYS 106 113.368 -1.781 6.785 868 HD3 LYS 106 HD1 LYS 106 114.014 -0.217 6.282 869 HE2 LYS 106 HE2 LYS 106 112.866 0.868 8.183 870 HE3 LYS 106 HE1 LYS 106 112.235 -0.697 8.694 871 HZ1 LYS 106 HZ1 LYS 106 114.646 0.425 9.398 872 HZ2 LYS 106 HZ2 LYS 106 115.044 -0.808 8.300 873 HZ3 LYS 106 HZ3 LYS 106 114.141 -1.167 9.694 874 H LEU 107 HN LEU 107 110.677 1.285 2.061 875 HA LEU 107 HA LEU 107 111.109 -0.589 -0.209 876 HB2 LEU 107 HB2 LEU 107 109.278 1.796 0.074 877 HB3 LEU 107 HB1 LEU 107 109.912 1.355 -1.512 878 HG LEU 107 HG LEU 107 109.008 -0.939 -1.213 879 HD11 LEU 107 HD11 LEU 107 107.136 -0.886 0.750 880 HD12 LEU 107 HD12 LEU 107 108.357 0.152 1.486 881 HD13 LEU 107 HD13 LEU 107 108.770 -1.489 0.991 882 HD21 LEU 107 HD21 LEU 107 107.349 0.042 -2.418 883 HD22 LEU 107 HD22 LEU 107 107.402 1.522 -1.466 884 HD23 LEU 107 HD23 LEU 107 106.445 0.152 -0.910 885 H GLU 108 HN GLU 108 113.012 -0.214 -1.209 886 HA GLU 108 HA GLU 108 114.165 2.506 -1.018 887 HB2 GLU 108 HB2 GLU 108 116.391 1.436 -0.891 888 HB3 GLU 108 HB1 GLU 108 115.372 1.047 0.492 889 HG2 GLU 108 HG2 GLU 108 114.728 -1.091 -0.678 890 HG3 GLU 108 HG1 GLU 108 115.940 -0.720 -1.903 891 H ILE 109 HN ILE 109 114.549 3.427 -2.915 892 HA ILE 109 HA ILE 109 114.580 1.712 -5.323 893 HB ILE 109 HB ILE 109 114.182 4.693 -5.061 894 HG12 ILE 109 HG12 ILE 109 112.150 2.498 -5.593 895 HG13 ILE 109 HG11 ILE 109 112.357 3.314 -4.051 896 HG21 ILE 109 HG21 ILE 109 114.953 4.386 -7.241 897 HG22 ILE 109 HG22 ILE 109 113.233 4.152 -7.482 898 HG23 ILE 109 HG23 ILE 109 114.299 2.767 -7.374 899 HD11 ILE 109 HD11 ILE 109 111.748 4.786 -6.628 900 HD12 ILE 109 HD12 ILE 109 111.710 5.433 -4.988 901 HD13 ILE 109 HD13 ILE 109 110.503 4.252 -5.497 902 H GLN 110 HN GLN 110 116.568 1.225 -6.038 903 HA GLN 110 HA GLN 110 118.829 2.981 -5.455 904 HB2 GLN 110 HB2 GLN 110 118.639 0.281 -6.815 905 HB3 GLN 110 HB1 GLN 110 120.147 1.151 -6.534 906 HG2 GLN 110 HG2 GLN 110 119.770 1.121 -4.129 907 HG3 GLN 110 HG1 GLN 110 118.205 0.341 -4.359 908 HE21 GLN 110 HE21 GLN 110 120.792 -0.641 -3.013 909 HE22 GLN 110 HE22 GLN 110 121.103 -2.133 -3.760 910 H GLN 111 HN GLN 111 119.923 1.764 -8.169 911 HA GLN 111 HA GLN 111 118.519 3.454 -10.074 912 HB2 GLN 111 HB2 GLN 111 120.600 4.632 -10.736 913 HB3 GLN 111 HB1 GLN 111 120.089 5.025 -9.094 914 HG2 GLN 111 HG2 GLN 111 121.679 3.340 -8.209 915 HG3 GLN 111 HG1 GLN 111 122.220 3.005 -9.854 916 HE21 GLN 111 HE21 GLN 111 124.387 3.773 -8.816 917 HE22 GLN 111 HE22 GLN 111 124.699 5.441 -8.853 918 H LEU 112 HN LEU 112 119.001 3.037 -12.236 919 HA LEU 112 HA LEU 112 120.028 0.330 -12.726 920 HB2 LEU 112 HB2 LEU 112 117.793 1.273 -13.611 921 HB3 LEU 112 HB1 LEU 112 118.768 2.204 -14.739 922 HG LEU 112 HG LEU 112 117.994 0.145 -15.794 923 HD11 LEU 112 HD11 LEU 112 120.013 -0.540 -16.745 924 HD12 LEU 112 HD12 LEU 112 120.906 -0.354 -15.242 925 HD13 LEU 112 HD13 LEU 112 120.391 1.072 -16.145 926 HD21 LEU 112 HD21 LEU 112 118.084 -1.941 -14.868 927 HD22 LEU 112 HD22 LEU 112 118.126 -1.042 -13.354 928 HD23 LEU 112 HD23 LEU 112 119.623 -1.653 -14.059 929 H GLU 113 HN GLU 113 122.103 0.100 -13.296 930 HA GLU 113 HA GLU 113 123.848 2.217 -13.950 931 HB2 GLU 113 HB2 GLU 113 124.502 -0.061 -13.074 932 HB3 GLU 113 HB1 GLU 113 124.190 -0.700 -14.687 933 HG2 GLU 113 HG2 GLU 113 126.534 -0.240 -14.598 934 HG3 GLU 113 HG1 GLU 113 125.820 1.052 -15.561 935 H HIS 114 HN HIS 114 123.610 3.459 -15.725 936 HA HIS 114 HA HIS 114 122.685 2.222 -18.245 937 HB2 HIS 114 HB2 HIS 114 122.937 5.122 -17.412 938 HB3 HIS 114 HB1 HIS 114 122.377 4.573 -18.989 939 HD1 HIS 114 HD1 HIS 114 120.371 2.527 -18.558 940 HD2 HIS 114 HD2 HIS 114 120.752 5.673 -15.851 941 HE1 HIS 114 HE1 HIS 114 118.160 2.691 -17.335 942 H HIS 115 HN HIS 115 124.486 1.301 -19.134 943 HA HIS 115 HA HIS 115 127.073 2.485 -19.124 944 HB2 HIS 115 HB2 HIS 115 126.590 0.041 -19.481 945 HB3 HIS 115 HB1 HIS 115 125.989 0.451 -21.087 946 HD1 HIS 115 HD1 HIS 115 127.732 1.380 -22.814 947 HD2 HIS 115 HD2 HIS 115 129.397 0.092 -19.219 948 HE1 HIS 115 HE1 HIS 115 130.227 1.214 -23.200 949 H HIS 116 HN HIS 116 124.383 2.466 -21.412 950 HA HIS 116 HA HIS 116 125.818 4.125 -23.329 951 HB2 HIS 116 HB2 HIS 116 122.998 3.031 -23.240 952 HB3 HIS 116 HB1 HIS 116 123.602 4.061 -24.541 953 HD1 HIS 116 HD1 HIS 116 123.245 0.604 -23.738 954 HD2 HIS 116 HD2 HIS 116 126.241 2.848 -25.572 955 HE1 HIS 116 HE1 HIS 116 124.691 -1.038 -25.016 956 H HIS 117 HN HIS 117 125.283 6.282 -23.820 957 HA HIS 117 HA HIS 117 124.543 7.879 -21.593 958 HB2 HIS 117 HB2 HIS 117 124.820 8.576 -24.525 959 HB3 HIS 117 HB1 HIS 117 124.611 9.755 -23.231 960 HD1 HIS 117 HD1 HIS 117 127.027 7.038 -24.341 961 HD2 HIS 117 HD2 HIS 117 126.957 10.387 -21.857 962 HE1 HIS 117 HE1 HIS 117 129.412 7.407 -23.565 963 H HIS 118 HN HIS 118 122.598 8.386 -20.859 964 HA HIS 118 HA HIS 118 120.228 7.967 -22.579 965 HB2 HIS 118 HB2 HIS 118 120.234 6.701 -20.483 966 HB3 HIS 118 HB1 HIS 118 120.468 8.189 -19.566 967 HD1 HIS 118 HD1 HIS 118 117.979 6.860 -22.150 968 HD2 HIS 118 HD2 HIS 118 118.069 9.271 -18.750 969 HE1 HIS 118 HE1 HIS 118 115.583 7.541 -21.690 970 H HIS 119 HN HIS 119 118.951 9.622 -23.147 971 HA HIS 119 HA HIS 119 119.129 12.196 -21.738 972 HB2 HIS 119 HB2 HIS 119 119.643 11.812 -24.697 973 HB3 HIS 119 HB1 HIS 119 119.335 13.377 -23.940 974 HD1 HIS 119 HD1 HIS 119 122.098 11.582 -25.068 975 HD2 HIS 119 HD2 HIS 119 121.264 13.420 -21.419 976 HE1 HIS 119 HE1 HIS 119 124.329 11.966 -23.929 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 90.544 -14.941 29.114 2 H2 ARG 1 HT2 ARG 1 90.066 -16.391 28.371 3 H3 ARG 1 HT3 ARG 1 90.220 -16.307 30.063 4 HA ARG 1 HA ARG 1 88.200 -15.432 30.347 5 HB2 ARG 1 HB2 ARG 1 89.177 -13.331 29.205 6 HB3 ARG 1 HB1 ARG 1 88.421 -13.927 27.733 7 HG2 ARG 1 HG2 ARG 1 86.662 -12.644 28.514 8 HG3 ARG 1 HG1 ARG 1 86.283 -14.135 29.370 9 HD2 ARG 1 HD2 ARG 1 86.190 -12.382 30.996 10 HD3 ARG 1 HD1 ARG 1 87.694 -13.248 31.294 11 HE ARG 1 HE ARG 1 88.086 -11.046 29.500 12 HH11 ARG 1 HH11 ARG 1 89.669 -9.604 30.365 13 HH12 ARG 1 HH12 ARG 1 89.632 -9.245 32.062 14 HH21 ARG 1 HH21 ARG 1 87.148 -11.565 32.763 15 HH22 ARG 1 HH22 ARG 1 88.201 -10.355 33.417 16 H MET 2 HN MET 2 86.061 -15.996 29.622 17 HA MET 2 HA MET 2 86.080 -18.145 27.626 18 HB2 MET 2 HB2 MET 2 85.012 -18.489 29.845 19 HB3 MET 2 HB1 MET 2 83.848 -17.224 29.448 20 HG2 MET 2 HG2 MET 2 83.085 -18.498 27.498 21 HG3 MET 2 HG1 MET 2 84.290 -19.741 27.820 22 HE1 MET 2 HE1 MET 2 81.875 -17.814 30.548 23 HE2 MET 2 HE2 MET 2 80.462 -18.747 30.071 24 HE3 MET 2 HE3 MET 2 81.328 -17.801 28.866 25 H ALA 3 HN ALA 3 85.553 -17.749 25.575 26 HA ALA 3 HA ALA 3 84.152 -15.278 24.856 27 HB1 ALA 3 HB1 ALA 3 85.439 -17.419 23.144 28 HB2 ALA 3 HB2 ALA 3 86.157 -15.868 23.587 29 HB3 ALA 3 HB3 ALA 3 84.738 -15.918 22.538 30 H HIS 4 HN HIS 4 82.311 -15.272 23.438 31 HA HIS 4 HA HIS 4 80.613 -17.695 23.708 32 HB2 HIS 4 HB2 HIS 4 79.769 -15.639 24.850 33 HB3 HIS 4 HB1 HIS 4 79.705 -14.838 23.278 34 HD1 HIS 4 HD1 HIS 4 78.369 -18.036 24.893 35 HD2 HIS 4 HD2 HIS 4 77.306 -15.269 21.960 36 HE1 HIS 4 HE1 HIS 4 76.070 -18.710 24.070 37 H GLU 5 HN GLU 5 79.441 -18.428 21.968 38 HA GLU 5 HA GLU 5 79.888 -17.203 19.324 39 HB2 GLU 5 HB2 GLU 5 80.483 -19.381 18.364 40 HB3 GLU 5 HB1 GLU 5 81.640 -18.913 19.609 41 HG2 GLU 5 HG2 GLU 5 80.460 -20.340 21.248 42 HG3 GLU 5 HG1 GLU 5 79.309 -20.821 19.999 43 H GLY 6 HN GLY 6 78.407 -17.964 17.699 44 HA2 GLY 6 HA2 GLY 6 76.195 -19.675 18.414 45 HA3 GLY 6 HA1 GLY 6 75.750 -17.972 18.318 46 H ALA 7 HN ALA 7 74.353 -19.033 16.545 47 HA ALA 7 HA ALA 7 75.459 -19.970 14.137 48 HB1 ALA 7 HB1 ALA 7 73.275 -19.280 13.123 49 HB2 ALA 7 HB2 ALA 7 72.860 -18.509 14.658 50 HB3 ALA 7 HB3 ALA 7 73.098 -20.253 14.585 51 H LEU 8 HN LEU 8 76.074 -18.987 12.238 52 HA LEU 8 HA LEU 8 76.847 -16.171 12.444 53 HB2 LEU 8 HB2 LEU 8 77.479 -18.424 10.549 54 HB3 LEU 8 HB1 LEU 8 77.841 -16.758 10.104 55 HG LEU 8 HG LEU 8 79.199 -16.492 12.123 56 HD11 LEU 8 HD11 LEU 8 78.210 -19.296 12.667 57 HD12 LEU 8 HD12 LEU 8 78.156 -17.886 13.728 58 HD13 LEU 8 HD13 LEU 8 79.693 -18.688 13.404 59 HD21 LEU 8 HD21 LEU 8 80.353 -17.282 10.157 60 HD22 LEU 8 HD22 LEU 8 79.801 -18.935 10.434 61 HD23 LEU 8 HD23 LEU 8 80.972 -18.200 11.530 62 H THR 9 HN THR 9 75.719 -14.564 11.581 63 HA THR 9 HA THR 9 73.346 -15.129 9.990 64 HB THR 9 HB THR 9 72.710 -12.905 10.439 65 HG1 THR 9 HG1 THR 9 75.413 -12.401 11.122 66 HG21 THR 9 HG21 THR 9 74.438 -13.761 12.779 67 HG22 THR 9 HG22 THR 9 72.799 -14.326 12.467 68 HG23 THR 9 HG23 THR 9 73.089 -12.629 12.848 69 H GLY 10 HN GLY 10 72.926 -13.940 7.968 70 HA2 GLY 10 HA2 GLY 10 74.995 -12.640 6.517 71 HA3 GLY 10 HA1 GLY 10 74.903 -14.332 6.037 72 H VAL 11 HN VAL 11 74.103 -14.060 3.983 73 HA VAL 11 HA VAL 11 72.584 -13.653 2.307 74 HB VAL 11 HB VAL 11 70.608 -13.814 4.597 75 HG11 VAL 11 HG11 VAL 11 69.504 -12.903 2.685 76 HG12 VAL 11 HG12 VAL 11 69.127 -14.624 2.670 77 HG13 VAL 11 HG13 VAL 11 70.359 -13.984 1.586 78 HG21 VAL 11 HG21 VAL 11 72.019 -15.809 4.488 79 HG22 VAL 11 HG22 VAL 11 71.767 -15.929 2.750 80 HG23 VAL 11 HG23 VAL 11 70.419 -16.197 3.859 81 H THR 12 HN THR 12 73.144 -11.576 1.693 82 HA THR 12 HA THR 12 73.040 -9.271 1.550 83 HB THR 12 HB THR 12 70.759 -8.394 1.355 84 HG1 THR 12 HG1 THR 12 70.176 -10.018 3.190 85 HG21 THR 12 HG21 THR 12 71.762 -9.835 -0.450 86 HG22 THR 12 HG22 THR 12 70.003 -9.818 -0.433 87 HG23 THR 12 HG23 THR 12 70.872 -11.199 0.226 88 H THR 13 HN THR 13 71.273 -7.455 2.824 89 HA THR 13 HA THR 13 71.179 -6.175 4.728 90 HB THR 13 HB THR 13 71.400 -8.669 6.402 91 HG1 THR 13 HG1 THR 13 68.904 -8.210 5.468 92 HG21 THR 13 HG21 THR 13 70.858 -6.191 7.163 93 HG22 THR 13 HG22 THR 13 69.960 -7.543 7.852 94 HG23 THR 13 HG23 THR 13 69.245 -6.580 6.559 95 H ASP 14 HN ASP 14 73.837 -7.380 3.667 96 HA ASP 14 HA ASP 14 75.523 -7.253 6.049 97 HB2 ASP 14 HB2 ASP 14 77.351 -7.844 4.520 98 HB3 ASP 14 HB1 ASP 14 75.997 -8.956 4.366 99 H GLN 15 HN GLN 15 74.065 -4.928 4.450 100 HA GLN 15 HA GLN 15 76.084 -3.170 3.554 101 HB2 GLN 15 HB2 GLN 15 73.293 -2.651 4.597 102 HB3 GLN 15 HB1 GLN 15 74.326 -1.401 3.899 103 HG2 GLN 15 HG2 GLN 15 74.456 -2.615 1.794 104 HG3 GLN 15 HG1 GLN 15 73.554 -3.963 2.479 105 HE21 GLN 15 HE21 GLN 15 73.193 -1.145 0.647 106 HE22 GLN 15 HE22 GLN 15 71.522 -0.918 0.867 107 H LYS 16 HN LYS 16 74.489 -3.447 6.753 108 HA LYS 16 HA LYS 16 76.639 -1.715 7.864 109 HB2 LYS 16 HB2 LYS 16 75.020 -0.896 9.502 110 HB3 LYS 16 HB1 LYS 16 74.472 -0.561 7.861 111 HG2 LYS 16 HG2 LYS 16 73.041 -2.596 7.951 112 HG3 LYS 16 HG1 LYS 16 73.545 -2.852 9.624 113 HD2 LYS 16 HD2 LYS 16 72.649 -0.572 10.182 114 HD3 LYS 16 HD1 LYS 16 72.032 -0.455 8.533 115 HE2 LYS 16 HE2 LYS 16 70.727 -2.564 8.935 116 HE3 LYS 16 HE1 LYS 16 71.258 -2.524 10.614 117 HZ1 LYS 16 HZ1 LYS 16 70.245 -0.265 10.753 118 HZ2 LYS 16 HZ2 LYS 16 69.129 -1.518 10.507 119 HZ3 LYS 16 HZ3 LYS 16 69.580 -0.515 9.215 120 H GLU 17 HN GLU 17 75.977 -4.791 7.669 121 HA GLU 17 HA GLU 17 75.864 -5.590 10.433 122 HB2 GLU 17 HB2 GLU 17 75.002 -6.979 8.538 123 HB3 GLU 17 HB1 GLU 17 76.670 -7.213 8.022 124 HG2 GLU 17 HG2 GLU 17 77.229 -8.290 10.119 125 HG3 GLU 17 HG1 GLU 17 75.623 -7.959 10.759 126 H LYS 18 HN LYS 18 77.512 -6.680 11.562 127 HA LYS 18 HA LYS 18 80.087 -5.455 11.318 128 HB2 LYS 18 HB2 LYS 18 78.837 -7.439 13.152 129 HB3 LYS 18 HB1 LYS 18 80.596 -7.478 13.047 130 HG2 LYS 18 HG2 LYS 18 80.689 -5.072 13.561 131 HG3 LYS 18 HG1 LYS 18 78.925 -5.019 13.644 132 HD2 LYS 18 HD2 LYS 18 78.887 -6.491 15.539 133 HD3 LYS 18 HD1 LYS 18 80.614 -6.823 15.383 134 HE2 LYS 18 HE2 LYS 18 81.129 -4.476 15.841 135 HE3 LYS 18 HE1 LYS 18 79.410 -4.111 15.980 136 HZ1 LYS 18 HZ1 LYS 18 80.643 -6.217 17.634 137 HZ2 LYS 18 HZ2 LYS 18 79.218 -5.339 17.918 138 HZ3 LYS 18 HZ3 LYS 18 80.732 -4.590 18.107 139 H GLN 19 HN GLN 19 82.107 -6.459 10.844 140 HA GLN 19 HA GLN 19 82.002 -9.015 9.384 141 HB2 GLN 19 HB2 GLN 19 81.672 -7.205 7.718 142 HB3 GLN 19 HB1 GLN 19 83.146 -6.429 8.281 143 HG2 GLN 19 HG2 GLN 19 84.504 -8.255 7.509 144 HG3 GLN 19 HG1 GLN 19 83.087 -9.254 7.191 145 HE21 GLN 19 HE21 GLN 19 84.998 -8.648 5.130 146 HE22 GLN 19 HE22 GLN 19 84.241 -7.652 3.986 147 H LYS 20 HN LYS 20 84.331 -9.703 8.870 148 HA LYS 20 HA LYS 20 85.907 -9.392 11.282 149 HB2 LYS 20 HB2 LYS 20 86.566 -10.883 8.731 150 HB3 LYS 20 HB1 LYS 20 87.391 -11.043 10.283 151 HG2 LYS 20 HG2 LYS 20 85.381 -11.937 11.319 152 HG3 LYS 20 HG1 LYS 20 84.452 -11.652 9.846 153 HD2 LYS 20 HD2 LYS 20 85.763 -13.276 8.624 154 HD3 LYS 20 HD1 LYS 20 86.886 -13.456 9.974 155 HE2 LYS 20 HE2 LYS 20 83.940 -14.180 10.024 156 HE3 LYS 20 HE1 LYS 20 85.273 -15.325 9.912 157 HZ1 LYS 20 HZ1 LYS 20 85.145 -15.339 12.129 158 HZ2 LYS 20 HZ2 LYS 20 84.259 -13.893 12.198 159 HZ3 LYS 20 HZ3 LYS 20 85.954 -13.850 12.061 160 HA PRO 21 HA PRO 21 87.907 -5.869 9.185 161 HB2 PRO 21 HB2 PRO 21 89.777 -5.589 11.400 162 HB3 PRO 21 HB1 PRO 21 88.448 -4.516 10.941 163 HG2 PRO 21 HG2 PRO 21 88.548 -6.205 13.191 164 HG3 PRO 21 HG1 PRO 21 87.137 -5.326 12.585 165 HD2 PRO 21 HD2 PRO 21 87.706 -8.202 12.439 166 HD3 PRO 21 HD1 PRO 21 86.190 -7.335 12.137 167 H ASP 22 HN ASP 22 89.710 -5.734 7.874 168 HA ASP 22 HA ASP 22 92.057 -7.376 8.399 169 HB2 ASP 22 HB2 ASP 22 90.300 -8.836 7.195 170 HB3 ASP 22 HB1 ASP 22 90.630 -7.839 5.781 171 H ILE 23 HN ILE 23 93.828 -6.895 7.010 172 HA ILE 23 HA ILE 23 93.527 -4.559 5.240 173 HB ILE 23 HB ILE 23 94.157 -3.565 7.344 174 HG12 ILE 23 HG12 ILE 23 96.588 -3.843 5.545 175 HG13 ILE 23 HG11 ILE 23 95.257 -2.736 5.277 176 HG21 ILE 23 HG21 ILE 23 96.239 -4.271 8.513 177 HG22 ILE 23 HG22 ILE 23 96.390 -5.616 7.392 178 HG23 ILE 23 HG23 ILE 23 95.014 -5.536 8.492 179 HD11 ILE 23 HD11 ILE 23 97.536 -2.051 6.548 180 HD12 ILE 23 HD12 ILE 23 96.582 -2.570 7.942 181 HD13 ILE 23 HD13 ILE 23 95.982 -1.287 6.887 182 H VAL 24 HN VAL 24 94.663 -4.747 3.416 183 HA VAL 24 HA VAL 24 96.654 -6.940 3.221 184 HB VAL 24 HB VAL 24 94.795 -5.674 1.199 185 HG11 VAL 24 HG11 VAL 24 95.794 -7.340 -0.404 186 HG12 VAL 24 HG12 VAL 24 97.082 -7.616 0.768 187 HG13 VAL 24 HG13 VAL 24 96.885 -6.027 0.029 188 HG21 VAL 24 HG21 VAL 24 93.793 -7.381 2.624 189 HG22 VAL 24 HG22 VAL 24 95.141 -8.476 2.313 190 HG23 VAL 24 HG23 VAL 24 94.029 -8.053 1.012 191 H LEU 25 HN LEU 25 98.733 -6.476 2.778 192 HA LEU 25 HA LEU 25 99.454 -4.022 1.376 193 HB2 LEU 25 HB2 LEU 25 101.147 -3.387 3.131 194 HB3 LEU 25 HB1 LEU 25 99.481 -3.118 3.571 195 HG LEU 25 HG LEU 25 101.145 -4.204 5.299 196 HD11 LEU 25 HD11 LEU 25 99.228 -5.526 6.247 197 HD12 LEU 25 HD12 LEU 25 98.334 -5.157 4.788 198 HD13 LEU 25 HD13 LEU 25 98.869 -3.850 5.844 199 HD21 LEU 25 HD21 LEU 25 100.252 -6.683 3.782 200 HD22 LEU 25 HD22 LEU 25 101.098 -6.656 5.322 201 HD23 LEU 25 HD23 LEU 25 101.908 -6.075 3.877 202 H TYR 26 HN TYR 26 102.231 -4.162 2.147 203 HA TYR 26 HA TYR 26 103.038 -6.656 0.736 204 HB2 TYR 26 HB2 TYR 26 103.736 -3.808 0.407 205 HB3 TYR 26 HB1 TYR 26 105.159 -4.843 0.508 206 HD1 TYR 26 HD1 TYR 26 101.849 -4.522 -1.267 207 HD2 TYR 26 HD2 TYR 26 105.856 -6.072 -1.357 208 HE1 TYR 26 HE1 TYR 26 101.519 -5.250 -3.621 209 HE2 TYR 26 HE2 TYR 26 105.524 -6.795 -3.699 210 HH TYR 26 HH TYR 26 103.455 -7.437 -5.140 211 HA PRO 27 HA PRO 27 104.824 -6.958 4.983 212 HB2 PRO 27 HB2 PRO 27 104.917 -9.848 4.687 213 HB3 PRO 27 HB1 PRO 27 103.900 -8.884 5.772 214 HG2 PRO 27 HG2 PRO 27 103.016 -10.319 3.546 215 HG3 PRO 27 HG1 PRO 27 102.108 -9.072 4.412 216 HD2 PRO 27 HD2 PRO 27 103.488 -8.895 1.785 217 HD3 PRO 27 HD1 PRO 27 102.150 -7.923 2.427 218 H GLU 28 HN GLU 28 105.898 -8.048 1.914 219 HA GLU 28 HA GLU 28 108.600 -8.649 2.925 220 HB2 GLU 28 HB2 GLU 28 107.473 -10.279 1.404 221 HB3 GLU 28 HB1 GLU 28 107.508 -9.045 0.142 222 HG2 GLU 28 HG2 GLU 28 109.942 -8.930 0.264 223 HG3 GLU 28 HG1 GLU 28 109.956 -10.065 1.610 224 HA PRO 29 HA PRO 29 109.591 -4.470 1.489 225 HB2 PRO 29 HB2 PRO 29 112.441 -5.064 1.524 226 HB3 PRO 29 HB1 PRO 29 111.525 -4.025 2.617 227 HG2 PRO 29 HG2 PRO 29 112.625 -6.563 3.201 228 HG3 PRO 29 HG1 PRO 29 111.554 -5.602 4.225 229 HD2 PRO 29 HD2 PRO 29 110.933 -8.043 2.750 230 HD3 PRO 29 HD1 PRO 29 109.941 -7.171 3.939 231 H VAL 30 HN VAL 30 110.184 -3.529 -0.493 232 HA VAL 30 HA VAL 30 111.248 -5.339 -2.593 233 HB VAL 30 HB VAL 30 108.823 -3.531 -2.812 234 HG11 VAL 30 HG11 VAL 30 110.473 -4.886 -4.969 235 HG12 VAL 30 HG12 VAL 30 110.127 -3.164 -4.820 236 HG13 VAL 30 HG13 VAL 30 108.836 -4.289 -5.235 237 HG21 VAL 30 HG21 VAL 30 107.879 -5.734 -3.764 238 HG22 VAL 30 HG22 VAL 30 108.163 -5.679 -2.025 239 HG23 VAL 30 HG23 VAL 30 109.307 -6.509 -3.078 240 H ARG 31 HN ARG 31 112.555 -4.359 -4.146 241 HA ARG 31 HA ARG 31 113.139 -1.470 -3.799 242 HB2 ARG 31 HB2 ARG 31 115.243 -3.596 -4.246 243 HB3 ARG 31 HB1 ARG 31 115.483 -1.899 -3.826 244 HG2 ARG 31 HG2 ARG 31 114.367 -2.290 -1.651 245 HG3 ARG 31 HG1 ARG 31 114.174 -3.993 -2.062 246 HD2 ARG 31 HD2 ARG 31 116.622 -4.230 -2.263 247 HD3 ARG 31 HD1 ARG 31 116.823 -2.537 -1.835 248 HE ARG 31 HE ARG 31 116.306 -3.065 0.400 249 HH11 ARG 31 HH11 ARG 31 114.118 -5.149 -0.448 250 HH12 ARG 31 HH12 ARG 31 114.771 -6.580 0.277 251 HH21 ARG 31 HH21 ARG 31 117.898 -5.209 0.835 252 HH22 ARG 31 HH22 ARG 31 116.903 -6.618 0.988 253 H VAL 32 HN VAL 32 113.344 -0.369 -5.699 254 HA VAL 32 HA VAL 32 113.613 -1.942 -8.200 255 HB VAL 32 HB VAL 32 111.306 -0.490 -7.330 256 HG11 VAL 32 HG11 VAL 32 110.956 1.032 -9.294 257 HG12 VAL 32 HG12 VAL 32 112.662 0.865 -9.682 258 HG13 VAL 32 HG13 VAL 32 112.173 1.611 -8.171 259 HG21 VAL 32 HG21 VAL 32 110.331 -1.304 -9.389 260 HG22 VAL 32 HG22 VAL 32 111.419 -2.543 -8.759 261 HG23 VAL 32 HG23 VAL 32 111.926 -1.521 -10.107 262 H LEU 33 HN LEU 33 114.586 -0.809 -9.974 263 HA LEU 33 HA LEU 33 116.553 1.198 -9.060 264 HB2 LEU 33 HB2 LEU 33 116.483 -0.832 -11.282 265 HB3 LEU 33 HB1 LEU 33 117.592 0.532 -11.370 266 HG LEU 33 HG LEU 33 118.552 -0.108 -9.184 267 HD11 LEU 33 HD11 LEU 33 116.381 -2.193 -9.337 268 HD12 LEU 33 HD12 LEU 33 116.854 -1.179 -7.976 269 HD13 LEU 33 HD13 LEU 33 117.866 -2.541 -8.449 270 HD21 LEU 33 HD21 LEU 33 119.371 -1.063 -11.404 271 HD22 LEU 33 HD22 LEU 33 118.458 -2.518 -11.018 272 HD23 LEU 33 HD23 LEU 33 119.786 -2.013 -9.976 273 H GLU 34 HN GLU 34 116.627 3.234 -9.887 274 HA GLU 34 HA GLU 34 114.581 4.614 -10.987 275 HB2 GLU 34 HB2 GLU 34 116.786 5.620 -10.345 276 HB3 GLU 34 HB1 GLU 34 117.461 5.014 -11.857 277 HG2 GLU 34 HG2 GLU 34 115.805 6.335 -13.133 278 HG3 GLU 34 HG1 GLU 34 115.150 6.964 -11.621 279 H GLY 35 HN GLY 35 113.392 4.477 -12.824 280 HA2 GLY 35 HA2 GLY 35 113.307 4.569 -15.242 281 HA3 GLY 35 HA1 GLY 35 114.732 3.540 -15.306 282 H GLU 36 HN GLU 36 112.792 2.401 -12.871 283 HA GLU 36 HA GLU 36 111.489 0.418 -14.661 284 HB2 GLU 36 HB2 GLU 36 112.464 0.083 -11.811 285 HB3 GLU 36 HB1 GLU 36 111.602 -1.142 -12.738 286 HG2 GLU 36 HG2 GLU 36 113.408 -1.187 -14.399 287 HG3 GLU 36 HG1 GLU 36 114.258 0.094 -13.534 288 H THR 37 HN THR 37 109.489 -0.528 -13.690 289 HA THR 37 HA THR 37 107.890 1.510 -12.248 290 HB THR 37 HB THR 37 107.006 1.355 -14.459 291 HG1 THR 37 HG1 THR 37 105.193 1.237 -13.412 292 HG21 THR 37 HG21 THR 37 107.106 -1.656 -14.109 293 HG22 THR 37 HG22 THR 37 108.197 -0.709 -15.118 294 HG23 THR 37 HG23 THR 37 106.483 -0.806 -15.521 295 H ALA 38 HN ALA 38 106.700 0.836 -10.528 296 HA ALA 38 HA ALA 38 106.929 -2.026 -9.750 297 HB1 ALA 38 HB1 ALA 38 106.753 0.338 -7.878 298 HB2 ALA 38 HB2 ALA 38 108.280 -0.388 -8.381 299 HB3 ALA 38 HB3 ALA 38 107.109 -1.340 -7.465 300 H ARG 39 HN ARG 39 105.241 -2.771 -8.300 301 HA ARG 39 HA ARG 39 102.651 -1.376 -8.666 302 HB2 ARG 39 HB2 ARG 39 103.288 -4.312 -9.010 303 HB3 ARG 39 HB1 ARG 39 101.647 -3.673 -8.875 304 HG2 ARG 39 HG2 ARG 39 101.955 -2.308 -10.854 305 HG3 ARG 39 HG1 ARG 39 103.660 -2.752 -10.946 306 HD2 ARG 39 HD2 ARG 39 102.415 -4.100 -12.545 307 HD3 ARG 39 HD1 ARG 39 102.978 -5.134 -11.235 308 HE ARG 39 HE ARG 39 100.769 -5.448 -10.570 309 HH11 ARG 39 HH11 ARG 39 101.029 -3.108 -13.115 310 HH12 ARG 39 HH12 ARG 39 99.320 -2.890 -13.271 311 HH21 ARG 39 HH21 ARG 39 98.525 -5.123 -10.748 312 HH22 ARG 39 HH22 ARG 39 97.906 -4.038 -11.946 313 H PHE 40 HN PHE 40 102.086 -0.717 -6.697 314 HA PHE 40 HA PHE 40 102.174 -2.656 -4.455 315 HB2 PHE 40 HB2 PHE 40 102.811 0.301 -4.285 316 HB3 PHE 40 HB1 PHE 40 102.671 -0.794 -2.915 317 HD1 PHE 40 HD1 PHE 40 104.127 -3.055 -3.233 318 HD2 PHE 40 HD2 PHE 40 104.967 0.754 -5.039 319 HE1 PHE 40 HE1 PHE 40 106.508 -3.692 -3.486 320 HE2 PHE 40 HE2 PHE 40 107.343 0.115 -5.286 321 HZ PHE 40 HZ PHE 40 108.110 -2.106 -4.516 322 H ARG 41 HN ARG 41 100.469 -2.455 -2.958 323 HA ARG 41 HA ARG 41 98.338 -0.518 -3.584 324 HB2 ARG 41 HB2 ARG 41 96.646 -2.288 -3.534 325 HB3 ARG 41 HB1 ARG 41 97.805 -2.579 -4.832 326 HG2 ARG 41 HG2 ARG 41 99.053 -4.126 -3.333 327 HG3 ARG 41 HG1 ARG 41 97.821 -3.893 -2.097 328 HD2 ARG 41 HD2 ARG 41 96.106 -4.745 -3.661 329 HD3 ARG 41 HD1 ARG 41 97.360 -5.023 -4.863 330 HE ARG 41 HE ARG 41 97.840 -6.307 -2.306 331 HH11 ARG 41 HH11 ARG 41 97.115 -8.505 -2.144 332 HH12 ARG 41 HH12 ARG 41 96.807 -9.376 -3.611 333 HH21 ARG 41 HH21 ARG 41 97.173 -6.599 -5.652 334 HH22 ARG 41 HH22 ARG 41 96.848 -8.295 -5.596 335 H CYS 42 HN CYS 42 96.836 -0.216 -1.915 336 HA CYS 42 HA CYS 42 97.433 -1.388 0.716 337 HB2 CYS 42 HB2 CYS 42 97.698 1.491 -0.058 338 HB3 CYS 42 HB1 CYS 42 97.000 1.134 1.523 339 HG CYS 42 HG CYS 42 99.230 0.424 2.345 340 H ARG 43 HN ARG 43 95.529 -2.303 1.232 341 HA ARG 43 HA ARG 43 93.028 -0.788 0.701 342 HB2 ARG 43 HB2 ARG 43 93.551 -3.764 0.509 343 HB3 ARG 43 HB1 ARG 43 91.931 -3.059 0.536 344 HG2 ARG 43 HG2 ARG 43 92.429 -1.748 -1.463 345 HG3 ARG 43 HG1 ARG 43 94.090 -2.332 -1.467 346 HD2 ARG 43 HD2 ARG 43 92.800 -3.608 -3.088 347 HD3 ARG 43 HD1 ARG 43 93.231 -4.659 -1.744 348 HE ARG 43 HE ARG 43 90.693 -3.520 -1.237 349 HH11 ARG 43 HH11 ARG 43 90.846 -4.430 -4.267 350 HH12 ARG 43 HH12 ARG 43 90.063 -5.973 -4.140 351 HH21 ARG 43 HH21 ARG 43 90.287 -6.111 -0.689 352 HH22 ARG 43 HH22 ARG 43 89.759 -6.923 -2.125 353 H VAL 44 HN VAL 44 91.160 -1.629 2.230 354 HA VAL 44 HA VAL 44 92.199 -2.327 4.884 355 HB VAL 44 HB VAL 44 90.105 -0.195 4.298 356 HG11 VAL 44 HG11 VAL 44 91.392 -1.263 6.816 357 HG12 VAL 44 HG12 VAL 44 89.677 -1.083 6.451 358 HG13 VAL 44 HG13 VAL 44 90.664 0.346 6.769 359 HG21 VAL 44 HG21 VAL 44 93.042 0.048 5.005 360 HG22 VAL 44 HG22 VAL 44 91.897 1.378 5.172 361 HG23 VAL 44 HG23 VAL 44 92.226 0.692 3.579 362 H THR 45 HN THR 45 90.025 -2.918 6.232 363 HA THR 45 HA THR 45 87.855 -3.862 4.587 364 HB THR 45 HB THR 45 89.250 -6.046 6.111 365 HG1 THR 45 HG1 THR 45 89.703 -5.531 3.377 366 HG21 THR 45 HG21 THR 45 87.015 -6.554 5.347 367 HG22 THR 45 HG22 THR 45 88.142 -7.426 4.314 368 HG23 THR 45 HG23 THR 45 87.376 -5.952 3.729 369 H GLY 46 HN GLY 46 86.222 -5.046 5.920 370 HA2 GLY 46 HA2 GLY 46 85.401 -5.608 8.139 371 HA3 GLY 46 HA1 GLY 46 86.240 -4.192 8.755 372 H TYR 47 HN TYR 47 85.400 -2.098 8.261 373 HA TYR 47 HA TYR 47 82.505 -2.133 7.633 374 HB2 TYR 47 HB2 TYR 47 83.833 -1.356 9.956 375 HB3 TYR 47 HB1 TYR 47 83.521 0.182 9.162 376 HD1 TYR 47 HD1 TYR 47 81.396 1.173 9.364 377 HD2 TYR 47 HD2 TYR 47 81.884 -3.035 10.079 378 HE1 TYR 47 HE1 TYR 47 79.040 1.036 10.147 379 HE2 TYR 47 HE2 TYR 47 79.528 -3.175 10.863 380 HH TYR 47 HH TYR 47 77.374 -0.349 10.723 381 HA PRO 48 HA PRO 48 83.192 0.644 4.219 382 HB2 PRO 48 HB2 PRO 48 80.953 2.378 4.829 383 HB3 PRO 48 HB1 PRO 48 81.055 1.124 3.584 384 HG2 PRO 48 HG2 PRO 48 79.691 1.046 6.141 385 HG3 PRO 48 HG1 PRO 48 79.602 -0.099 4.797 386 HD2 PRO 48 HD2 PRO 48 80.849 -0.575 7.269 387 HD3 PRO 48 HD1 PRO 48 81.068 -1.542 5.805 388 H GLN 49 HN GLN 49 83.546 2.975 3.794 389 HA GLN 49 HA GLN 49 85.076 4.669 4.291 390 HB2 GLN 49 HB2 GLN 49 82.725 5.568 4.464 391 HB3 GLN 49 HB1 GLN 49 82.849 5.365 6.213 392 HG2 GLN 49 HG2 GLN 49 84.785 6.854 6.293 393 HG3 GLN 49 HG1 GLN 49 84.782 6.996 4.539 394 HE21 GLN 49 HE21 GLN 49 84.535 9.403 4.995 395 HE22 GLN 49 HE22 GLN 49 82.977 10.006 5.307 396 HA PRO 50 HA PRO 50 86.666 3.060 8.328 397 HB2 PRO 50 HB2 PRO 50 89.105 2.211 6.992 398 HB3 PRO 50 HB1 PRO 50 87.861 1.195 7.744 399 HG2 PRO 50 HG2 PRO 50 88.371 1.309 5.029 400 HG3 PRO 50 HG1 PRO 50 86.849 0.759 5.750 401 HD2 PRO 50 HD2 PRO 50 87.509 3.421 4.530 402 HD3 PRO 50 HD1 PRO 50 85.995 2.489 4.462 403 H LYS 51 HN LYS 51 88.714 3.736 9.459 404 HA LYS 51 HA LYS 51 89.554 6.428 8.582 405 HB2 LYS 51 HB2 LYS 51 90.096 4.903 11.148 406 HB3 LYS 51 HB1 LYS 51 90.539 6.581 10.838 407 HG2 LYS 51 HG2 LYS 51 88.161 7.152 10.545 408 HG3 LYS 51 HG1 LYS 51 87.718 5.475 10.853 409 HD2 LYS 51 HD2 LYS 51 88.713 5.619 13.105 410 HD3 LYS 51 HD1 LYS 51 89.158 7.299 12.801 411 HE2 LYS 51 HE2 LYS 51 87.088 7.346 14.025 412 HE3 LYS 51 HE1 LYS 51 86.704 7.757 12.350 413 HZ1 LYS 51 HZ1 LYS 51 85.155 6.129 13.217 414 HZ2 LYS 51 HZ2 LYS 51 86.430 5.067 13.580 415 HZ3 LYS 51 HZ3 LYS 51 86.078 5.454 11.964 416 H VAL 52 HN VAL 52 91.268 6.326 7.171 417 HA VAL 52 HA VAL 52 93.595 4.753 7.978 418 HB VAL 52 HB VAL 52 92.592 3.080 6.671 419 HG11 VAL 52 HG11 VAL 52 91.762 5.351 4.871 420 HG12 VAL 52 HG12 VAL 52 90.737 4.215 5.747 421 HG13 VAL 52 HG13 VAL 52 91.674 3.665 4.357 422 HG21 VAL 52 HG21 VAL 52 94.978 3.983 5.891 423 HG22 VAL 52 HG22 VAL 52 94.099 4.423 4.429 424 HG23 VAL 52 HG23 VAL 52 94.147 2.741 4.956 425 H ASN 53 HN ASN 53 95.462 5.571 7.383 426 HA ASN 53 HA ASN 53 95.601 7.701 5.354 427 HB2 ASN 53 HB2 ASN 53 96.672 7.885 8.189 428 HB3 ASN 53 HB1 ASN 53 97.196 8.938 6.878 429 HD21 ASN 53 HD21 ASN 53 95.845 9.972 9.207 430 HD22 ASN 53 HD22 ASN 53 94.331 10.560 8.718 431 H TRP 54 HN TRP 54 97.664 7.693 4.281 432 HA TRP 54 HA TRP 54 99.527 5.570 5.175 433 HB2 TRP 54 HB2 TRP 54 99.710 5.013 2.623 434 HB3 TRP 54 HB1 TRP 54 98.423 4.300 3.584 435 HD1 TRP 54 HD1 TRP 54 96.048 4.657 2.758 436 HE1 TRP 54 HE1 TRP 54 94.919 6.161 0.982 437 HE3 TRP 54 HE3 TRP 54 100.015 7.591 1.450 438 HZ2 TRP 54 HZ2 TRP 54 95.612 8.330 -0.705 439 HZ3 TRP 54 HZ3 TRP 54 99.752 9.362 -0.251 440 HH2 TRP 54 HH2 TRP 54 97.552 9.734 -1.341 441 H TYR 55 HN TYR 55 101.638 5.680 4.137 442 HA TYR 55 HA TYR 55 102.315 8.403 3.224 443 HB2 TYR 55 HB2 TYR 55 103.984 6.882 5.222 444 HB3 TYR 55 HB1 TYR 55 104.104 8.583 4.766 445 HD1 TYR 55 HD1 TYR 55 102.994 10.199 6.045 446 HD2 TYR 55 HD2 TYR 55 101.778 6.098 6.302 447 HE1 TYR 55 HE1 TYR 55 101.477 10.765 7.935 448 HE2 TYR 55 HE2 TYR 55 100.262 6.657 8.178 449 HH TYR 55 HH TYR 55 100.315 8.688 10.028 450 H LEU 56 HN LEU 56 103.423 8.281 1.355 451 HA LEU 56 HA LEU 56 104.890 5.834 0.688 452 HB2 LEU 56 HB2 LEU 56 104.184 8.348 -0.804 453 HB3 LEU 56 HB1 LEU 56 105.371 7.216 -1.443 454 HG LEU 56 HG LEU 56 103.678 5.400 -1.258 455 HD11 LEU 56 HD11 LEU 56 102.150 5.999 0.379 456 HD12 LEU 56 HD12 LEU 56 101.231 6.404 -1.064 457 HD13 LEU 56 HD13 LEU 56 102.049 7.673 -0.159 458 HD21 LEU 56 HD21 LEU 56 103.390 7.787 -3.039 459 HD22 LEU 56 HD22 LEU 56 102.038 6.650 -3.036 460 HD23 LEU 56 HD23 LEU 56 103.658 6.091 -3.451 461 H ASN 57 HN ASN 57 107.249 5.781 0.654 462 HA ASN 57 HA ASN 57 109.289 6.437 1.360 463 HB2 ASN 57 HB2 ASN 57 108.317 8.979 0.050 464 HB3 ASN 57 HB1 ASN 57 109.994 8.669 0.497 465 HD21 ASN 57 HD21 ASN 57 108.580 8.891 -2.274 466 HD22 ASN 57 HD22 ASN 57 109.083 7.486 -3.082 467 H GLY 58 HN GLY 58 106.675 7.334 2.985 468 HA2 GLY 58 HA2 GLY 58 106.682 7.827 5.305 469 HA3 GLY 58 HA1 GLY 58 108.214 8.662 5.114 470 H GLN 59 HN GLN 59 105.800 9.357 2.749 471 HA GLN 59 HA GLN 59 105.137 11.934 4.089 472 HB2 GLN 59 HB2 GLN 59 105.589 11.339 1.156 473 HB3 GLN 59 HB1 GLN 59 104.900 12.845 1.762 474 HG2 GLN 59 HG2 GLN 59 106.921 13.299 3.048 475 HG3 GLN 59 HG1 GLN 59 107.610 11.746 2.565 476 HE21 GLN 59 HE21 GLN 59 109.304 13.558 1.780 477 HE22 GLN 59 HE22 GLN 59 109.107 14.049 0.165 478 H LEU 60 HN LEU 60 103.005 12.230 4.478 479 HA LEU 60 HA LEU 60 101.043 10.326 3.601 480 HB2 LEU 60 HB2 LEU 60 101.329 11.719 5.842 481 HB3 LEU 60 HB1 LEU 60 100.367 12.904 4.983 482 HG LEU 60 HG LEU 60 99.518 10.006 5.347 483 HD11 LEU 60 HD11 LEU 60 97.927 11.781 6.951 484 HD12 LEU 60 HD12 LEU 60 99.614 12.109 7.330 485 HD13 LEU 60 HD13 LEU 60 98.976 10.477 7.485 486 HD21 LEU 60 HD21 LEU 60 98.327 12.385 4.019 487 HD22 LEU 60 HD22 LEU 60 97.221 11.506 5.058 488 HD23 LEU 60 HD23 LEU 60 98.024 10.675 3.739 489 H ILE 61 HN ILE 61 99.153 10.798 2.440 490 HA ILE 61 HA ILE 61 97.932 11.613 0.756 491 HB ILE 61 HB ILE 61 97.253 13.343 2.209 492 HG12 ILE 61 HG12 ILE 61 96.740 15.140 0.643 493 HG13 ILE 61 HG11 ILE 61 98.025 14.606 -0.436 494 HG21 ILE 61 HG21 ILE 61 98.437 15.556 2.254 495 HG22 ILE 61 HG22 ILE 61 99.797 14.786 1.460 496 HG23 ILE 61 HG23 ILE 61 99.288 14.254 3.073 497 HD11 ILE 61 HD11 ILE 61 96.864 12.622 -1.015 498 HD12 ILE 61 HD12 ILE 61 95.607 13.852 -0.977 499 HD13 ILE 61 HD13 ILE 61 95.792 12.739 0.379 500 H ARG 62 HN ARG 62 98.234 11.312 -1.204 501 HA ARG 62 HA ARG 62 100.495 12.571 -2.646 502 HB2 ARG 62 HB2 ARG 62 99.336 9.793 -2.939 503 HB3 ARG 62 HB1 ARG 62 100.257 10.556 -4.233 504 HG2 ARG 62 HG2 ARG 62 101.416 10.484 -1.449 505 HG3 ARG 62 HG1 ARG 62 101.495 9.037 -2.451 506 HD2 ARG 62 HD2 ARG 62 102.591 10.388 -4.247 507 HD3 ARG 62 HD1 ARG 62 102.597 11.774 -3.164 508 HE ARG 62 HE ARG 62 103.823 9.532 -1.925 509 HH11 ARG 62 HH11 ARG 62 104.271 12.137 -4.140 510 HH12 ARG 62 HH12 ARG 62 106.000 12.082 -4.071 511 HH21 ARG 62 HH21 ARG 62 106.093 9.366 -1.916 512 HH22 ARG 62 HH22 ARG 62 107.034 10.500 -2.821 513 H LYS 63 HN LYS 63 100.002 13.300 -4.785 514 HA LYS 63 HA LYS 63 97.571 14.595 -5.059 515 HB2 LYS 63 HB2 LYS 63 99.526 13.779 -7.216 516 HB3 LYS 63 HB1 LYS 63 98.208 14.928 -7.448 517 HG2 LYS 63 HG2 LYS 63 100.243 15.267 -5.236 518 HG3 LYS 63 HG1 LYS 63 100.528 15.898 -6.852 519 HD2 LYS 63 HD2 LYS 63 99.181 17.697 -6.465 520 HD3 LYS 63 HD1 LYS 63 97.849 16.675 -5.953 521 HE2 LYS 63 HE2 LYS 63 100.171 17.527 -4.188 522 HE3 LYS 63 HE1 LYS 63 98.556 18.240 -4.168 523 HZ1 LYS 63 HZ1 LYS 63 97.619 16.277 -3.373 524 HZ2 LYS 63 HZ2 LYS 63 99.056 16.434 -2.477 525 HZ3 LYS 63 HZ3 LYS 63 98.976 15.342 -3.772 526 H SER 64 HN SER 64 95.764 14.329 -6.261 527 HA SER 64 HA SER 64 94.735 11.673 -6.403 528 HB2 SER 64 HB2 SER 64 92.669 12.705 -6.982 529 HB3 SER 64 HB1 SER 64 93.440 13.770 -5.811 530 HG SER 64 HG SER 64 93.011 15.157 -7.383 531 H LYS 65 HN LYS 65 93.110 12.670 -8.759 532 HA LYS 65 HA LYS 65 93.281 11.199 -10.770 533 HB2 LYS 65 HB2 LYS 65 93.790 14.121 -11.268 534 HB3 LYS 65 HB1 LYS 65 93.040 12.977 -12.380 535 HG2 LYS 65 HG2 LYS 65 91.245 12.572 -10.674 536 HG3 LYS 65 HG1 LYS 65 91.954 13.852 -9.685 537 HD2 LYS 65 HD2 LYS 65 91.112 14.272 -12.563 538 HD3 LYS 65 HD1 LYS 65 90.035 14.578 -11.202 539 HE2 LYS 65 HE2 LYS 65 90.954 16.655 -11.025 540 HE3 LYS 65 HE1 LYS 65 92.493 15.916 -10.593 541 HZ1 LYS 65 HZ1 LYS 65 93.295 16.149 -12.671 542 HZ2 LYS 65 HZ2 LYS 65 92.167 17.421 -12.734 543 HZ3 LYS 65 HZ3 LYS 65 91.789 15.914 -13.417 544 H ARG 66 HN ARG 66 96.167 13.236 -10.182 545 HA ARG 66 HA ARG 66 97.490 12.511 -12.576 546 HB2 ARG 66 HB2 ARG 66 98.240 14.375 -11.106 547 HB3 ARG 66 HB1 ARG 66 98.754 13.187 -9.909 548 HG2 ARG 66 HG2 ARG 66 100.377 12.245 -11.413 549 HG3 ARG 66 HG1 ARG 66 99.755 13.198 -12.766 550 HD2 ARG 66 HD2 ARG 66 101.811 14.197 -11.846 551 HD3 ARG 66 HD1 ARG 66 100.429 15.271 -11.642 552 HE ARG 66 HE ARG 66 100.838 13.590 -9.349 553 HH11 ARG 66 HH11 ARG 66 100.205 16.656 -9.812 554 HH12 ARG 66 HH12 ARG 66 101.524 17.361 -8.940 555 HH21 ARG 66 HH21 ARG 66 103.282 14.367 -8.701 556 HH22 ARG 66 HH22 ARG 66 103.277 16.052 -8.299 557 H PHE 67 HN PHE 67 97.233 11.019 -9.415 558 HA PHE 67 HA PHE 67 98.536 8.555 -10.426 559 HB2 PHE 67 HB2 PHE 67 98.603 9.817 -7.678 560 HB3 PHE 67 HB1 PHE 67 99.007 8.121 -7.951 561 HD1 PHE 67 HD1 PHE 67 101.008 7.481 -9.190 562 HD2 PHE 67 HD2 PHE 67 100.016 11.611 -8.552 563 HE1 PHE 67 HE1 PHE 67 103.293 8.138 -9.900 564 HE2 PHE 67 HE2 PHE 67 102.300 12.268 -9.258 565 HZ PHE 67 HZ PHE 67 103.938 10.532 -9.933 566 H ARG 68 HN ARG 68 97.475 6.583 -9.882 567 HA ARG 68 HA ARG 68 94.647 6.815 -9.579 568 HB2 ARG 68 HB2 ARG 68 95.739 5.015 -10.885 569 HB3 ARG 68 HB1 ARG 68 96.396 4.346 -9.391 570 HG2 ARG 68 HG2 ARG 68 94.110 4.012 -8.526 571 HG3 ARG 68 HG1 ARG 68 93.445 4.695 -10.007 572 HD2 ARG 68 HD2 ARG 68 94.531 2.900 -11.320 573 HD3 ARG 68 HD1 ARG 68 95.178 2.215 -9.836 574 HE ARG 68 HE ARG 68 93.011 1.460 -9.262 575 HH11 ARG 68 HH11 ARG 68 91.162 0.473 -10.196 576 HH12 ARG 68 HH12 ARG 68 90.411 1.212 -11.568 577 HH21 ARG 68 HH21 ARG 68 92.883 3.617 -11.955 578 HH22 ARG 68 HH22 ARG 68 91.379 2.999 -12.560 579 H VAL 69 HN VAL 69 93.790 7.445 -7.719 580 HA VAL 69 HA VAL 69 94.201 5.852 -5.332 581 HB VAL 69 HB VAL 69 95.999 7.522 -5.122 582 HG11 VAL 69 HG11 VAL 69 95.516 9.876 -5.030 583 HG12 VAL 69 HG12 VAL 69 93.781 9.579 -5.121 584 HG13 VAL 69 HG13 VAL 69 94.805 9.254 -6.521 585 HG21 VAL 69 HG21 VAL 69 95.421 8.342 -2.937 586 HG22 VAL 69 HG22 VAL 69 94.704 6.743 -3.107 587 HG23 VAL 69 HG23 VAL 69 93.700 8.180 -3.261 588 H ARG 70 HN ARG 70 92.386 5.778 -4.103 589 HA ARG 70 HA ARG 70 90.257 7.786 -4.552 590 HB2 ARG 70 HB2 ARG 70 89.931 4.778 -4.617 591 HB3 ARG 70 HB1 ARG 70 88.593 5.926 -4.534 592 HG2 ARG 70 HG2 ARG 70 89.361 6.960 -6.644 593 HG3 ARG 70 HG1 ARG 70 90.672 5.786 -6.734 594 HD2 ARG 70 HD2 ARG 70 87.730 5.083 -6.652 595 HD3 ARG 70 HD1 ARG 70 88.713 5.117 -8.113 596 HE ARG 70 HE ARG 70 88.755 3.084 -6.044 597 HH11 ARG 70 HH11 ARG 70 88.874 2.231 -8.832 598 HH12 ARG 70 HH12 ARG 70 90.555 1.905 -9.102 599 HH21 ARG 70 HH21 ARG 70 91.627 3.638 -6.305 600 HH22 ARG 70 HH22 ARG 70 92.103 2.689 -7.673 601 H TYR 71 HN TYR 71 90.001 8.700 -2.606 602 HA TYR 71 HA TYR 71 90.711 7.329 -0.199 603 HB2 TYR 71 HB2 TYR 71 90.750 9.872 -0.684 604 HB3 TYR 71 HB1 TYR 71 89.025 9.832 -0.327 605 HD1 TYR 71 HD1 TYR 71 88.293 8.781 1.926 606 HD2 TYR 71 HD2 TYR 71 92.330 9.956 1.058 607 HE1 TYR 71 HE1 TYR 71 88.804 8.804 4.347 608 HE2 TYR 71 HE2 TYR 71 92.842 9.983 3.482 609 HH TYR 71 HH TYR 71 90.613 8.721 5.838 610 H ASP 72 HN ASP 72 89.454 5.487 -0.140 611 HA ASP 72 HA ASP 72 86.979 5.692 1.249 612 HB2 ASP 72 HB2 ASP 72 86.898 4.880 -1.663 613 HB3 ASP 72 HB1 ASP 72 85.724 4.255 -0.512 614 H GLY 73 HN GLY 73 89.725 4.480 1.224 615 HA2 GLY 73 HA2 GLY 73 90.255 2.535 2.563 616 HA3 GLY 73 HA1 GLY 73 88.941 1.674 1.761 617 H ILE 74 HN ILE 74 89.916 3.122 -0.798 618 HA ILE 74 HA ILE 74 91.970 1.114 -1.511 619 HB ILE 74 HB ILE 74 90.091 2.723 -3.249 620 HG12 ILE 74 HG12 ILE 74 90.129 -0.253 -2.648 621 HG13 ILE 74 HG11 ILE 74 89.062 0.901 -1.838 622 HG21 ILE 74 HG21 ILE 74 90.932 1.078 -5.004 623 HG22 ILE 74 HG22 ILE 74 92.209 0.654 -3.870 624 HG23 ILE 74 HG23 ILE 74 92.092 2.298 -4.490 625 HD11 ILE 74 HD11 ILE 74 88.223 1.595 -4.103 626 HD12 ILE 74 HD12 ILE 74 87.838 -0.075 -3.682 627 HD13 ILE 74 HD13 ILE 74 89.164 0.276 -4.796 628 H HIS 75 HN HIS 75 93.960 1.814 -1.632 629 HA HIS 75 HA HIS 75 94.546 4.468 -2.776 630 HB2 HIS 75 HB2 HIS 75 94.731 5.065 -0.540 631 HB3 HIS 75 HB1 HIS 75 95.214 3.448 -0.038 632 HD1 HIS 75 HD1 HIS 75 97.540 3.474 0.789 633 HD2 HIS 75 HD2 HIS 75 97.042 6.115 -2.399 634 HE1 HIS 75 HE1 HIS 75 99.806 4.514 0.362 635 H TYR 76 HN TYR 76 95.569 3.903 -4.602 636 HA TYR 76 HA TYR 76 97.465 1.646 -4.609 637 HB2 TYR 76 HB2 TYR 76 95.882 3.129 -6.668 638 HB3 TYR 76 HB1 TYR 76 97.377 2.373 -7.196 639 HD1 TYR 76 HD1 TYR 76 94.940 1.185 -4.586 640 HD2 TYR 76 HD2 TYR 76 96.655 0.541 -8.476 641 HE1 TYR 76 HE1 TYR 76 93.766 -0.998 -4.752 642 HE2 TYR 76 HE2 TYR 76 95.491 -1.638 -8.633 643 HH TYR 76 HH TYR 76 93.791 -2.880 -7.730 644 H LEU 77 HN LEU 77 99.617 1.855 -4.771 645 HA LEU 77 HA LEU 77 100.789 4.533 -5.284 646 HB2 LEU 77 HB2 LEU 77 102.767 3.028 -3.983 647 HB3 LEU 77 HB1 LEU 77 101.772 4.274 -3.240 648 HG LEU 77 HG LEU 77 100.990 1.346 -3.395 649 HD11 LEU 77 HD11 LEU 77 103.046 1.764 -2.026 650 HD12 LEU 77 HD12 LEU 77 101.685 1.197 -1.063 651 HD13 LEU 77 HD13 LEU 77 102.121 2.906 -1.052 652 HD21 LEU 77 HD21 LEU 77 99.605 3.790 -2.511 653 HD22 LEU 77 HD22 LEU 77 99.664 2.551 -1.258 654 HD23 LEU 77 HD23 LEU 77 98.964 2.182 -2.818 655 H ASP 78 HN ASP 78 101.025 4.231 -7.551 656 HA ASP 78 HA ASP 78 102.720 1.936 -8.391 657 HB2 ASP 78 HB2 ASP 78 100.826 3.668 -9.987 658 HB3 ASP 78 HB1 ASP 78 101.888 2.442 -10.681 659 H ILE 79 HN ILE 79 104.603 2.226 -9.420 660 HA ILE 79 HA ILE 79 105.627 4.994 -9.699 661 HB ILE 79 HB ILE 79 107.123 2.364 -9.528 662 HG12 ILE 79 HG12 ILE 79 106.932 4.648 -7.532 663 HG13 ILE 79 HG11 ILE 79 105.993 3.162 -7.412 664 HG21 ILE 79 HG21 ILE 79 109.078 3.989 -9.208 665 HG22 ILE 79 HG22 ILE 79 108.001 5.236 -9.829 666 HG23 ILE 79 HG23 ILE 79 108.423 3.858 -10.840 667 HD11 ILE 79 HD11 ILE 79 107.818 2.647 -6.059 668 HD12 ILE 79 HD12 ILE 79 108.944 3.569 -7.055 669 HD13 ILE 79 HD13 ILE 79 108.363 1.995 -7.608 670 H VAL 80 HN VAL 80 106.841 5.520 -11.620 671 HA VAL 80 HA VAL 80 106.299 3.762 -13.955 672 HB VAL 80 HB VAL 80 104.772 5.608 -14.147 673 HG11 VAL 80 HG11 VAL 80 105.646 7.976 -14.011 674 HG12 VAL 80 HG12 VAL 80 107.156 7.311 -13.384 675 HG13 VAL 80 HG13 VAL 80 105.658 7.100 -12.480 676 HG21 VAL 80 HG21 VAL 80 105.522 6.697 -16.161 677 HG22 VAL 80 HG22 VAL 80 106.185 5.064 -16.182 678 HG23 VAL 80 HG23 VAL 80 107.215 6.425 -15.748 679 H ASP 81 HN ASP 81 107.919 4.056 -15.688 680 HA ASP 81 HA ASP 81 110.546 3.933 -14.741 681 HB2 ASP 81 HB2 ASP 81 111.222 4.027 -17.094 682 HB3 ASP 81 HB1 ASP 81 109.823 2.978 -16.886 683 H CYS 82 HN CYS 82 110.280 5.937 -13.347 684 HA CYS 82 HA CYS 82 112.088 7.831 -13.708 685 HB2 CYS 82 HB2 CYS 82 110.731 9.849 -14.610 686 HB3 CYS 82 HB1 CYS 82 111.386 8.713 -15.777 687 HG CYS 82 HG CYS 82 108.383 8.908 -14.972 688 H LYS 83 HN LYS 83 111.987 9.559 -12.198 689 HA LYS 83 HA LYS 83 111.376 10.584 -10.254 690 HB2 LYS 83 HB2 LYS 83 108.546 9.781 -11.008 691 HB3 LYS 83 HB1 LYS 83 108.998 10.932 -9.760 692 HG2 LYS 83 HG2 LYS 83 110.065 12.367 -11.476 693 HG3 LYS 83 HG1 LYS 83 109.572 11.217 -12.724 694 HD2 LYS 83 HD2 LYS 83 107.210 11.568 -12.148 695 HD3 LYS 83 HD1 LYS 83 107.673 12.684 -10.863 696 HE2 LYS 83 HE2 LYS 83 107.015 13.966 -12.825 697 HE3 LYS 83 HE1 LYS 83 108.755 14.143 -12.587 698 HZ1 LYS 83 HZ1 LYS 83 107.838 11.939 -14.264 699 HZ2 LYS 83 HZ2 LYS 83 109.228 12.902 -14.404 700 HZ3 LYS 83 HZ3 LYS 83 107.721 13.500 -14.910 701 H SER 84 HN SER 84 112.563 8.404 -9.639 702 HA SER 84 HA SER 84 110.976 7.199 -7.502 703 HB2 SER 84 HB2 SER 84 111.177 4.990 -8.236 704 HB3 SER 84 HB1 SER 84 110.839 5.854 -9.736 705 HG SER 84 HG SER 84 112.828 4.312 -9.358 706 H TYR 85 HN TYR 85 114.062 7.634 -9.126 707 HA TYR 85 HA TYR 85 115.842 6.286 -7.561 708 HB2 TYR 85 HB2 TYR 85 117.514 7.591 -8.506 709 HB3 TYR 85 HB1 TYR 85 116.198 7.741 -9.658 710 HD1 TYR 85 HD1 TYR 85 114.395 9.712 -8.537 711 HD2 TYR 85 HD2 TYR 85 118.690 9.598 -8.410 712 HE1 TYR 85 HE1 TYR 85 114.457 12.177 -8.246 713 HE2 TYR 85 HE2 TYR 85 118.749 12.052 -8.118 714 HH TYR 85 HH TYR 85 115.767 13.943 -7.781 715 H ASP 86 HN ASP 86 114.552 6.559 -5.461 716 HA ASP 86 HA ASP 86 116.177 8.127 -3.694 717 HB2 ASP 86 HB2 ASP 86 114.513 9.791 -4.556 718 HB3 ASP 86 HB1 ASP 86 113.236 8.788 -3.864 719 H THR 87 HN THR 87 116.452 6.813 -1.998 720 HA THR 87 HA THR 87 114.644 4.618 -1.586 721 HB THR 87 HB THR 87 116.260 3.967 0.159 722 HG1 THR 87 HG1 THR 87 117.870 5.312 0.707 723 HG21 THR 87 HG21 THR 87 116.606 3.619 -2.380 724 HG22 THR 87 HG22 THR 87 118.031 3.472 -1.352 725 HG23 THR 87 HG23 THR 87 117.756 4.950 -2.276 726 H GLY 88 HN GLY 88 112.905 4.530 -0.175 727 HA2 GLY 88 HA2 GLY 88 112.947 6.354 2.156 728 HA3 GLY 88 HA1 GLY 88 111.604 6.467 1.030 729 H GLU 89 HN GLU 89 110.141 5.880 2.737 730 HA GLU 89 HA GLU 89 109.952 2.970 3.102 731 HB2 GLU 89 HB2 GLU 89 109.936 4.948 5.397 732 HB3 GLU 89 HB1 GLU 89 109.436 3.266 5.528 733 HG2 GLU 89 HG2 GLU 89 111.666 3.095 6.169 734 HG3 GLU 89 HG1 GLU 89 111.799 2.781 4.443 735 H VAL 90 HN VAL 90 107.898 2.178 3.275 736 HA VAL 90 HA VAL 90 105.693 4.143 3.083 737 HB VAL 90 HB VAL 90 105.809 1.374 1.871 738 HG11 VAL 90 HG11 VAL 90 103.813 3.638 1.542 739 HG12 VAL 90 HG12 VAL 90 103.531 2.150 2.447 740 HG13 VAL 90 HG13 VAL 90 103.762 2.090 0.699 741 HG21 VAL 90 HG21 VAL 90 105.793 2.825 -0.294 742 HG22 VAL 90 HG22 VAL 90 107.316 2.646 0.575 743 HG23 VAL 90 HG23 VAL 90 106.369 4.119 0.753 744 H LYS 91 HN LYS 91 104.188 4.041 4.635 745 HA LYS 91 HA LYS 91 103.862 1.531 6.188 746 HB2 LYS 91 HB2 LYS 91 105.248 3.185 7.453 747 HB3 LYS 91 HB1 LYS 91 103.913 4.335 7.341 748 HG2 LYS 91 HG2 LYS 91 102.443 2.769 8.547 749 HG3 LYS 91 HG1 LYS 91 103.751 1.597 8.635 750 HD2 LYS 91 HD2 LYS 91 105.102 3.204 9.949 751 HD3 LYS 91 HD1 LYS 91 103.771 4.362 9.876 752 HE2 LYS 91 HE2 LYS 91 102.303 2.789 11.051 753 HE3 LYS 91 HE1 LYS 91 103.594 1.586 11.086 754 HZ1 LYS 91 HZ1 LYS 91 103.290 2.959 13.156 755 HZ2 LYS 91 HZ2 LYS 91 103.896 4.282 12.279 756 HZ3 LYS 91 HZ3 LYS 91 104.866 2.907 12.529 757 H VAL 92 HN VAL 92 101.761 1.017 6.676 758 HA VAL 92 HA VAL 92 99.658 2.976 5.915 759 HB VAL 92 HB VAL 92 99.813 1.245 4.205 760 HG11 VAL 92 HG11 VAL 92 100.976 -0.438 5.590 761 HG12 VAL 92 HG12 VAL 92 99.565 -1.125 4.789 762 HG13 VAL 92 HG13 VAL 92 99.487 -0.706 6.499 763 HG21 VAL 92 HG21 VAL 92 97.493 0.480 5.984 764 HG22 VAL 92 HG22 VAL 92 97.547 0.527 4.223 765 HG23 VAL 92 HG23 VAL 92 97.545 2.031 5.146 766 H THR 93 HN THR 93 97.807 2.974 7.161 767 HA THR 93 HA THR 93 97.574 1.101 9.399 768 HB THR 93 HB THR 93 98.836 2.839 10.469 769 HG1 THR 93 HG1 THR 93 96.063 3.215 10.928 770 HG21 THR 93 HG21 THR 93 98.207 4.555 8.601 771 HG22 THR 93 HG22 THR 93 98.461 5.147 10.237 772 HG23 THR 93 HG23 THR 93 96.821 4.916 9.627 773 H ALA 94 HN ALA 94 95.477 0.786 10.064 774 HA ALA 94 HA ALA 94 93.353 2.474 8.975 775 HB1 ALA 94 HB1 ALA 94 93.927 -0.341 8.230 776 HB2 ALA 94 HB2 ALA 94 92.992 0.873 7.362 777 HB3 ALA 94 HB3 ALA 94 92.250 -0.029 8.681 778 H GLU 95 HN GLU 95 91.382 2.211 10.219 779 HA GLU 95 HA GLU 95 91.600 0.666 12.686 780 HB2 GLU 95 HB2 GLU 95 91.355 3.669 12.614 781 HB3 GLU 95 HB1 GLU 95 91.013 2.695 14.036 782 HG2 GLU 95 HG2 GLU 95 93.337 1.800 13.897 783 HG3 GLU 95 HG1 GLU 95 93.651 2.917 12.576 784 H ASN 96 HN ASN 96 89.792 -0.473 12.562 785 HA ASN 96 HA ASN 96 87.364 0.714 11.508 786 HB2 ASN 96 HB2 ASN 96 87.418 -2.027 12.725 787 HB3 ASN 96 HB1 ASN 96 86.580 -1.459 11.282 788 HD21 ASN 96 HD21 ASN 96 89.946 -1.963 12.472 789 HD22 ASN 96 HD22 ASN 96 90.556 -2.468 10.972 790 HA PRO 97 HA PRO 97 85.610 1.630 15.397 791 HB2 PRO 97 HB2 PRO 97 83.103 0.173 15.193 792 HB3 PRO 97 HB1 PRO 97 83.396 1.900 14.936 793 HG2 PRO 97 HG2 PRO 97 82.743 0.077 12.947 794 HG3 PRO 97 HG1 PRO 97 83.505 1.654 12.682 795 HD2 PRO 97 HD2 PRO 97 84.747 -1.063 12.668 796 HD3 PRO 97 HD1 PRO 97 85.189 0.390 11.751 797 H GLU 98 HN GLU 98 85.961 -1.757 14.764 798 HA GLU 98 HA GLU 98 85.739 -2.329 17.672 799 HB2 GLU 98 HB2 GLU 98 85.086 -4.592 17.051 800 HB3 GLU 98 HB1 GLU 98 83.993 -3.408 16.335 801 HG2 GLU 98 HG2 GLU 98 85.367 -3.517 14.229 802 HG3 GLU 98 HG1 GLU 98 86.277 -4.842 14.954 803 H GLY 99 HN GLY 99 88.098 -1.944 15.339 804 HA2 GLY 99 HA2 GLY 99 89.978 -3.473 16.916 805 HA3 GLY 99 HA1 GLY 99 89.701 -4.121 15.301 806 H VAL 100 HN VAL 100 92.158 -3.209 16.180 807 HA VAL 100 HA VAL 100 92.615 -0.882 14.404 808 HB VAL 100 HB VAL 100 93.720 -1.409 17.162 809 HG11 VAL 100 HG11 VAL 100 95.643 -0.718 16.008 810 HG12 VAL 100 HG12 VAL 100 94.995 0.794 16.637 811 HG13 VAL 100 HG13 VAL 100 94.738 0.356 14.950 812 HG21 VAL 100 HG21 VAL 100 92.802 0.837 17.595 813 HG22 VAL 100 HG22 VAL 100 91.545 -0.244 16.994 814 HG23 VAL 100 HG23 VAL 100 92.272 0.947 15.917 815 H ILE 101 HN ILE 101 94.169 -1.192 12.924 816 HA ILE 101 HA ILE 101 96.275 -3.163 13.401 817 HB ILE 101 HB ILE 101 95.840 -3.916 10.887 818 HG12 ILE 101 HG12 ILE 101 93.333 -4.196 10.583 819 HG13 ILE 101 HG11 ILE 101 93.110 -3.003 11.855 820 HG21 ILE 101 HG21 ILE 101 95.892 -5.400 12.834 821 HG22 ILE 101 HG22 ILE 101 94.596 -5.834 11.723 822 HG23 ILE 101 HG23 ILE 101 94.225 -4.969 13.215 823 HD11 ILE 101 HD11 ILE 101 93.060 -2.092 9.492 824 HD12 ILE 101 HD12 ILE 101 94.770 -2.490 9.379 825 HD13 ILE 101 HD13 ILE 101 94.218 -1.312 10.560 826 H GLU 102 HN GLU 102 98.071 -3.073 12.023 827 HA GLU 102 HA GLU 102 98.451 -1.077 10.048 828 HB2 GLU 102 HB2 GLU 102 100.063 0.338 11.357 829 HB3 GLU 102 HB1 GLU 102 98.377 0.517 11.851 830 HG2 GLU 102 HG2 GLU 102 98.696 -0.911 13.755 831 HG3 GLU 102 HG1 GLU 102 100.294 -1.403 13.200 832 H HIS 103 HN HIS 103 100.699 -1.020 9.267 833 HA HIS 103 HA HIS 103 102.582 -2.948 10.389 834 HB2 HIS 103 HB2 HIS 103 101.505 -3.258 7.579 835 HB3 HIS 103 HB1 HIS 103 102.820 -4.193 8.291 836 HD1 HIS 103 HD1 HIS 103 99.367 -4.433 7.643 837 HD2 HIS 103 HD2 HIS 103 101.741 -5.500 10.891 838 HE1 HIS 103 HE1 HIS 103 98.101 -6.233 8.872 839 H LYS 104 HN LYS 104 104.717 -2.594 9.717 840 HA LYS 104 HA LYS 104 105.149 -0.134 8.133 841 HB2 LYS 104 HB2 LYS 104 106.098 -0.316 10.493 842 HB3 LYS 104 HB1 LYS 104 107.190 -1.548 9.857 843 HG2 LYS 104 HG2 LYS 104 108.096 0.020 8.232 844 HG3 LYS 104 HG1 LYS 104 106.930 1.251 8.720 845 HD2 LYS 104 HD2 LYS 104 107.913 1.245 11.003 846 HD3 LYS 104 HD1 LYS 104 109.118 0.079 10.456 847 HE2 LYS 104 HE2 LYS 104 109.936 1.661 8.780 848 HE3 LYS 104 HE1 LYS 104 108.694 2.821 9.245 849 HZ1 LYS 104 HZ1 LYS 104 111.094 1.995 10.705 850 HZ2 LYS 104 HZ2 LYS 104 109.729 2.486 11.588 851 HZ3 LYS 104 HZ3 LYS 104 110.452 3.547 10.477 852 H VAL 105 HN VAL 105 106.131 -0.194 6.241 853 HA VAL 105 HA VAL 105 107.407 -2.714 5.330 854 HB VAL 105 HB VAL 105 105.447 -0.920 3.872 855 HG11 VAL 105 HG11 VAL 105 107.150 -1.408 2.272 856 HG12 VAL 105 HG12 VAL 105 105.847 -2.553 1.962 857 HG13 VAL 105 HG13 VAL 105 107.294 -3.074 2.828 858 HG21 VAL 105 HG21 VAL 105 104.330 -2.583 5.196 859 HG22 VAL 105 HG22 VAL 105 105.468 -3.833 4.702 860 HG23 VAL 105 HG23 VAL 105 104.320 -3.177 3.538 861 H LYS 106 HN LYS 106 109.330 -2.471 4.276 862 HA LYS 106 HA LYS 106 110.373 0.286 4.032 863 HB2 LYS 106 HB2 LYS 106 111.579 -1.177 5.558 864 HB3 LYS 106 HB1 LYS 106 111.802 -2.366 4.274 865 HG2 LYS 106 HG2 LYS 106 113.143 -0.783 2.989 866 HG3 LYS 106 HG1 LYS 106 112.850 0.480 4.188 867 HD2 LYS 106 HD2 LYS 106 113.966 -0.911 5.903 868 HD3 LYS 106 HD1 LYS 106 114.268 -2.152 4.693 869 HE2 LYS 106 HE2 LYS 106 116.285 -0.922 4.782 870 HE3 LYS 106 HE1 LYS 106 115.460 -0.301 3.354 871 HZ1 LYS 106 HZ1 LYS 106 115.423 1.708 4.255 872 HZ2 LYS 106 HZ2 LYS 106 116.312 1.124 5.582 873 HZ3 LYS 106 HZ3 LYS 106 114.612 1.128 5.627 874 H LEU 107 HN LEU 107 110.457 1.125 2.074 875 HA LEU 107 HA LEU 107 111.069 -0.632 -0.245 876 HB2 LEU 107 HB2 LEU 107 109.365 1.875 -0.249 877 HB3 LEU 107 HB1 LEU 107 109.750 0.877 -1.647 878 HG LEU 107 HG LEU 107 108.164 0.014 0.782 879 HD11 LEU 107 HD11 LEU 107 106.280 0.564 -0.330 880 HD12 LEU 107 HD12 LEU 107 106.833 -0.183 -1.827 881 HD13 LEU 107 HD13 LEU 107 107.291 1.475 -1.449 882 HD21 LEU 107 HD21 LEU 107 107.738 -1.998 -0.867 883 HD22 LEU 107 HD22 LEU 107 109.206 -1.954 0.099 884 HD23 LEU 107 HD23 LEU 107 109.258 -1.469 -1.595 885 H GLU 108 HN GLU 108 112.991 -0.160 -1.076 886 HA GLU 108 HA GLU 108 113.842 2.658 -1.055 887 HB2 GLU 108 HB2 GLU 108 116.188 1.848 -0.741 888 HB3 GLU 108 HB1 GLU 108 115.156 1.618 0.667 889 HG2 GLU 108 HG2 GLU 108 114.791 -0.728 0.004 890 HG3 GLU 108 HG1 GLU 108 115.834 -0.487 -1.399 891 H ILE 109 HN ILE 109 114.428 3.413 -3.010 892 HA ILE 109 HA ILE 109 114.966 1.383 -5.100 893 HB ILE 109 HB ILE 109 113.209 2.158 -6.247 894 HG12 ILE 109 HG12 ILE 109 113.193 4.518 -7.134 895 HG13 ILE 109 HG11 ILE 109 114.696 4.798 -6.274 896 HG21 ILE 109 HG21 ILE 109 112.230 2.851 -4.123 897 HG22 ILE 109 HG22 ILE 109 111.772 3.958 -5.414 898 HG23 ILE 109 HG23 ILE 109 113.020 4.418 -4.265 899 HD11 ILE 109 HD11 ILE 109 115.088 4.239 -8.643 900 HD12 ILE 109 HD12 ILE 109 114.202 2.733 -8.445 901 HD13 ILE 109 HD13 ILE 109 115.738 2.966 -7.624 902 H GLN 110 HN GLN 110 116.729 1.401 -6.004 903 HA GLN 110 HA GLN 110 118.761 3.422 -5.378 904 HB2 GLN 110 HB2 GLN 110 119.134 0.884 -5.331 905 HB3 GLN 110 HB1 GLN 110 119.164 0.967 -7.089 906 HG2 GLN 110 HG2 GLN 110 121.029 2.573 -6.994 907 HG3 GLN 110 HG1 GLN 110 120.969 2.558 -5.237 908 HE21 GLN 110 HE21 GLN 110 122.674 1.315 -4.455 909 HE22 GLN 110 HE22 GLN 110 123.195 -0.152 -5.133 910 H GLN 111 HN GLN 111 119.775 2.209 -8.226 911 HA GLN 111 HA GLN 111 118.292 3.889 -10.045 912 HB2 GLN 111 HB2 GLN 111 120.031 5.408 -10.630 913 HB3 GLN 111 HB1 GLN 111 119.918 5.448 -8.870 914 HG2 GLN 111 HG2 GLN 111 121.782 3.703 -8.842 915 HG3 GLN 111 HG1 GLN 111 121.984 4.020 -10.559 916 HE21 GLN 111 HE21 GLN 111 124.237 4.797 -9.793 917 HE22 GLN 111 HE22 GLN 111 124.363 6.402 -9.247 918 H LEU 112 HN LEU 112 119.028 3.670 -12.281 919 HA LEU 112 HA LEU 112 119.763 0.955 -12.861 920 HB2 LEU 112 HB2 LEU 112 118.182 2.150 -14.292 921 HB3 LEU 112 HB1 LEU 112 119.395 3.370 -14.662 922 HG LEU 112 HG LEU 112 120.785 1.717 -15.801 923 HD11 LEU 112 HD11 LEU 112 118.754 -0.205 -14.677 924 HD12 LEU 112 HD12 LEU 112 120.511 -0.317 -14.679 925 HD13 LEU 112 HD13 LEU 112 119.610 -0.611 -16.165 926 HD21 LEU 112 HD21 LEU 112 117.874 1.909 -16.592 927 HD22 LEU 112 HD22 LEU 112 118.988 0.942 -17.558 928 HD23 LEU 112 HD23 LEU 112 119.282 2.666 -17.336 929 H GLU 113 HN GLU 113 121.772 0.171 -12.998 930 HA GLU 113 HA GLU 113 124.021 2.046 -13.489 931 HB2 GLU 113 HB2 GLU 113 125.399 0.238 -12.337 932 HB3 GLU 113 HB1 GLU 113 124.294 1.146 -11.308 933 HG2 GLU 113 HG2 GLU 113 122.629 -0.672 -11.491 934 HG3 GLU 113 HG1 GLU 113 123.735 -1.582 -12.516 935 H HIS 114 HN HIS 114 125.081 1.821 -15.334 936 HA HIS 114 HA HIS 114 125.543 -0.793 -16.509 937 HB2 HIS 114 HB2 HIS 114 123.232 -0.017 -17.279 938 HB3 HIS 114 HB1 HIS 114 124.071 1.254 -18.166 939 HD1 HIS 114 HD1 HIS 114 125.097 0.626 -20.375 940 HD2 HIS 114 HD2 HIS 114 124.024 -2.719 -18.135 941 HE1 HIS 114 HE1 HIS 114 125.410 -1.376 -21.890 942 H HIS 115 HN HIS 115 126.962 -0.672 -18.412 943 HA HIS 115 HA HIS 115 128.974 1.384 -18.080 944 HB2 HIS 115 HB2 HIS 115 128.752 -1.055 -19.850 945 HB3 HIS 115 HB1 HIS 115 130.093 0.080 -19.979 946 HD1 HIS 115 HD1 HIS 115 128.679 -2.605 -17.813 947 HD2 HIS 115 HD2 HIS 115 131.861 0.090 -17.685 948 HE1 HIS 115 HE1 HIS 115 130.163 -3.336 -15.895 949 H HIS 116 HN HIS 116 126.134 1.117 -19.897 950 HA HIS 116 HA HIS 116 127.041 2.445 -22.284 951 HB2 HIS 116 HB2 HIS 116 125.079 1.010 -22.408 952 HB3 HIS 116 HB1 HIS 116 124.239 2.006 -21.218 953 HD1 HIS 116 HD1 HIS 116 123.063 4.082 -22.061 954 HD2 HIS 116 HD2 HIS 116 125.563 2.407 -24.947 955 HE1 HIS 116 HE1 HIS 116 122.622 5.345 -24.213 956 H HIS 117 HN HIS 117 127.000 4.565 -22.813 957 HA HIS 117 HA HIS 117 126.553 6.500 -20.636 958 HB2 HIS 117 HB2 HIS 117 127.850 6.846 -23.359 959 HB3 HIS 117 HB1 HIS 117 127.787 8.063 -22.083 960 HD1 HIS 117 HD1 HIS 117 129.209 7.582 -19.904 961 HD2 HIS 117 HD2 HIS 117 129.823 4.868 -23.009 962 HE1 HIS 117 HE1 HIS 117 131.286 6.257 -19.301 963 H HIS 118 HN HIS 118 125.043 8.147 -20.791 964 HA HIS 118 HA HIS 118 122.848 7.723 -22.599 965 HB2 HIS 118 HB2 HIS 118 121.967 9.839 -21.501 966 HB3 HIS 118 HB1 HIS 118 122.275 8.479 -20.424 967 HD1 HIS 118 HD1 HIS 118 125.548 9.434 -21.069 968 HD2 HIS 118 HD2 HIS 118 122.494 11.278 -18.918 969 HE1 HIS 118 HE1 HIS 118 126.669 11.087 -19.507 970 H HIS 119 HN HIS 119 125.730 9.566 -22.733 971 HA HIS 119 HA HIS 119 124.965 10.667 -25.312 972 HB2 HIS 119 HB2 HIS 119 125.491 12.410 -22.903 973 HB3 HIS 119 HB1 HIS 119 125.673 13.056 -24.559 974 HD1 HIS 119 HD1 HIS 119 123.051 11.590 -22.212 975 HD2 HIS 119 HD2 HIS 119 123.268 13.590 -25.859 976 HE1 HIS 119 HE1 HIS 119 120.675 12.230 -22.819 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 65.371 -3.919 -3.310 2 H2 ARG 1 HT2 ARG 1 66.548 -5.044 -3.806 3 H3 ARG 1 HT3 ARG 1 66.301 -4.736 -2.151 4 HA ARG 1 HA ARG 1 65.037 -6.569 -2.207 5 HB2 ARG 1 HB2 ARG 1 63.176 -4.702 -3.703 6 HB3 ARG 1 HB1 ARG 1 62.699 -6.074 -2.714 7 HG2 ARG 1 HG2 ARG 1 64.278 -3.750 -1.603 8 HG3 ARG 1 HG1 ARG 1 62.512 -3.754 -1.626 9 HD2 ARG 1 HD2 ARG 1 62.581 -5.908 -0.315 10 HD3 ARG 1 HD1 ARG 1 64.328 -5.757 -0.242 11 HE ARG 1 HE ARG 1 62.396 -4.044 1.172 12 HH11 ARG 1 HH11 ARG 1 63.450 -4.065 3.331 13 HH12 ARG 1 HH12 ARG 1 65.113 -3.589 3.370 14 HH21 ARG 1 HH21 ARG 1 65.502 -3.723 -0.055 15 HH22 ARG 1 HH22 ARG 1 66.253 -3.357 1.458 16 H MET 2 HN MET 2 66.217 -5.434 -5.115 17 HA MET 2 HA MET 2 64.822 -7.308 -6.853 18 HB2 MET 2 HB2 MET 2 67.231 -5.537 -7.284 19 HB3 MET 2 HB1 MET 2 66.523 -6.563 -8.531 20 HG2 MET 2 HG2 MET 2 64.383 -5.390 -8.346 21 HG3 MET 2 HG1 MET 2 65.002 -4.385 -7.037 22 HE1 MET 2 HE1 MET 2 65.152 -5.581 -10.512 23 HE2 MET 2 HE2 MET 2 66.912 -5.465 -10.546 24 HE3 MET 2 HE3 MET 2 65.943 -4.336 -11.487 25 H ALA 3 HN ALA 3 65.724 -9.206 -7.786 26 HA ALA 3 HA ALA 3 68.390 -10.069 -6.891 27 HB1 ALA 3 HB1 ALA 3 65.883 -11.646 -6.271 28 HB2 ALA 3 HB2 ALA 3 66.956 -10.884 -5.098 29 HB3 ALA 3 HB3 ALA 3 67.532 -12.236 -6.071 30 H HIS 4 HN HIS 4 69.303 -11.722 -8.201 31 HA HIS 4 HA HIS 4 68.093 -11.909 -10.856 32 HB2 HIS 4 HB2 HIS 4 70.763 -12.793 -9.741 33 HB3 HIS 4 HB1 HIS 4 70.263 -13.051 -11.419 34 HD1 HIS 4 HD1 HIS 4 68.901 -10.403 -12.048 35 HD2 HIS 4 HD2 HIS 4 72.474 -10.633 -9.907 36 HE1 HIS 4 HE1 HIS 4 69.989 -8.130 -12.225 37 H GLU 5 HN GLU 5 68.264 -14.071 -12.005 38 HA GLU 5 HA GLU 5 66.626 -15.951 -10.647 39 HB2 GLU 5 HB2 GLU 5 66.990 -17.354 -12.710 40 HB3 GLU 5 HB1 GLU 5 66.400 -15.729 -13.037 41 HG2 GLU 5 HG2 GLU 5 68.140 -16.030 -14.608 42 HG3 GLU 5 HG1 GLU 5 68.879 -15.079 -13.327 43 H GLY 6 HN GLY 6 70.074 -15.778 -11.317 44 HA2 GLY 6 HA2 GLY 6 70.548 -18.059 -9.485 45 HA3 GLY 6 HA1 GLY 6 71.397 -17.967 -11.024 46 H ALA 7 HN ALA 7 71.804 -17.444 -7.858 47 HA ALA 7 HA ALA 7 73.064 -14.890 -7.757 48 HB1 ALA 7 HB1 ALA 7 74.114 -15.868 -5.634 49 HB2 ALA 7 HB2 ALA 7 73.132 -17.296 -5.961 50 HB3 ALA 7 HB3 ALA 7 72.357 -15.736 -5.686 51 H LEU 8 HN LEU 8 75.219 -14.281 -7.784 52 HA LEU 8 HA LEU 8 76.901 -15.799 -9.539 53 HB2 LEU 8 HB2 LEU 8 76.939 -13.304 -9.445 54 HB3 LEU 8 HB1 LEU 8 77.553 -13.397 -7.797 55 HG LEU 8 HG LEU 8 79.567 -14.546 -8.565 56 HD11 LEU 8 HD11 LEU 8 79.830 -14.435 -11.240 57 HD12 LEU 8 HD12 LEU 8 78.084 -14.663 -11.174 58 HD13 LEU 8 HD13 LEU 8 79.159 -15.846 -10.433 59 HD21 LEU 8 HD21 LEU 8 80.602 -12.685 -9.743 60 HD22 LEU 8 HD22 LEU 8 79.441 -12.035 -8.581 61 HD23 LEU 8 HD23 LEU 8 79.024 -12.120 -10.293 62 H THR 9 HN THR 9 78.489 -17.223 -9.017 63 HA THR 9 HA THR 9 78.681 -18.257 -6.343 64 HB THR 9 HB THR 9 80.532 -18.768 -8.673 65 HG1 THR 9 HG1 THR 9 78.337 -19.040 -9.246 66 HG21 THR 9 HG21 THR 9 80.722 -21.005 -7.581 67 HG22 THR 9 HG22 THR 9 79.746 -20.394 -6.239 68 HG23 THR 9 HG23 THR 9 81.321 -19.686 -6.580 69 H GLY 10 HN GLY 10 80.138 -17.732 -4.767 70 HA2 GLY 10 HA2 GLY 10 82.548 -17.154 -4.308 71 HA3 GLY 10 HA1 GLY 10 82.294 -15.784 -5.388 72 H VAL 11 HN VAL 11 83.145 -15.324 -2.820 73 HA VAL 11 HA VAL 11 80.796 -14.464 -1.274 74 HB VAL 11 HB VAL 11 82.436 -14.142 0.567 75 HG11 VAL 11 HG11 VAL 11 82.713 -16.465 1.047 76 HG12 VAL 11 HG12 VAL 11 82.724 -16.884 -0.667 77 HG13 VAL 11 HG13 VAL 11 81.230 -16.336 0.097 78 HG21 VAL 11 HG21 VAL 11 84.707 -15.251 0.182 79 HG22 VAL 11 HG22 VAL 11 84.486 -13.688 -0.596 80 HG23 VAL 11 HG23 VAL 11 84.352 -15.169 -1.538 81 H THR 12 HN THR 12 82.511 -13.185 -3.681 82 HA THR 12 HA THR 12 83.475 -10.712 -2.666 83 HB THR 12 HB THR 12 84.199 -11.568 -4.811 84 HG1 THR 12 HG1 THR 12 83.056 -9.471 -5.929 85 HG21 THR 12 HG21 THR 12 81.703 -12.402 -5.302 86 HG22 THR 12 HG22 THR 12 82.814 -12.028 -6.619 87 HG23 THR 12 HG23 THR 12 81.614 -10.844 -6.117 88 H THR 13 HN THR 13 81.457 -10.480 -1.230 89 HA THR 13 HA THR 13 79.523 -8.664 -2.556 90 HB THR 13 HB THR 13 77.817 -9.484 -0.949 91 HG1 THR 13 HG1 THR 13 79.736 -11.531 -0.491 92 HG21 THR 13 HG21 THR 13 77.553 -11.771 -2.094 93 HG22 THR 13 HG22 THR 13 79.043 -11.389 -2.952 94 HG23 THR 13 HG23 THR 13 77.624 -10.356 -3.145 95 H ASP 14 HN ASP 14 79.678 -9.667 0.784 96 HA ASP 14 HA ASP 14 79.734 -8.434 2.720 97 HB2 ASP 14 HB2 ASP 14 82.124 -8.747 2.123 98 HB3 ASP 14 HB1 ASP 14 82.094 -7.202 1.277 99 H GLN 15 HN GLN 15 78.073 -7.358 0.552 100 HA GLN 15 HA GLN 15 78.355 -4.530 0.383 101 HB2 GLN 15 HB2 GLN 15 75.964 -4.622 -0.415 102 HB3 GLN 15 HB1 GLN 15 77.075 -5.656 -1.313 103 HG2 GLN 15 HG2 GLN 15 76.355 -7.595 0.094 104 HG3 GLN 15 HG1 GLN 15 75.187 -6.543 0.885 105 HE21 GLN 15 HE21 GLN 15 73.760 -8.394 -0.226 106 HE22 GLN 15 HE22 GLN 15 73.180 -8.008 -1.773 107 H LYS 16 HN LYS 16 76.431 -6.657 2.449 108 HA LYS 16 HA LYS 16 75.855 -4.350 4.235 109 HB2 LYS 16 HB2 LYS 16 73.848 -5.198 2.977 110 HB3 LYS 16 HB1 LYS 16 74.055 -6.744 3.802 111 HG2 LYS 16 HG2 LYS 16 73.851 -5.636 5.982 112 HG3 LYS 16 HG1 LYS 16 73.675 -4.076 5.183 113 HD2 LYS 16 HD2 LYS 16 71.649 -4.862 4.049 114 HD3 LYS 16 HD1 LYS 16 71.794 -6.432 4.842 115 HE2 LYS 16 HE2 LYS 16 71.397 -3.746 6.191 116 HE3 LYS 16 HE1 LYS 16 70.198 -5.033 6.064 117 HZ1 LYS 16 HZ1 LYS 16 72.676 -4.962 7.665 118 HZ2 LYS 16 HZ2 LYS 16 71.956 -6.449 7.251 119 HZ3 LYS 16 HZ3 LYS 16 71.092 -5.302 8.161 120 H GLU 17 HN GLU 17 76.680 -7.753 3.950 121 HA GLU 17 HA GLU 17 76.567 -8.334 6.722 122 HB2 GLU 17 HB2 GLU 17 76.654 -10.065 4.906 123 HB3 GLU 17 HB1 GLU 17 78.344 -9.632 4.635 124 HG2 GLU 17 HG2 GLU 17 78.901 -10.243 6.938 125 HG3 GLU 17 HG1 GLU 17 77.209 -10.598 7.277 126 H LYS 18 HN LYS 18 77.892 -7.810 8.342 127 HA LYS 18 HA LYS 18 80.251 -6.176 7.790 128 HB2 LYS 18 HB2 LYS 18 78.750 -5.634 9.709 129 HB3 LYS 18 HB1 LYS 18 79.193 -7.181 10.446 130 HG2 LYS 18 HG2 LYS 18 81.534 -6.505 10.527 131 HG3 LYS 18 HG1 LYS 18 81.149 -5.003 9.684 132 HD2 LYS 18 HD2 LYS 18 79.696 -4.324 11.556 133 HD3 LYS 18 HD1 LYS 18 80.065 -5.831 12.391 134 HE2 LYS 18 HE2 LYS 18 82.453 -5.223 12.438 135 HE3 LYS 18 HE1 LYS 18 82.087 -3.703 11.622 136 HZ1 LYS 18 HZ1 LYS 18 80.340 -3.829 13.741 137 HZ2 LYS 18 HZ2 LYS 18 81.717 -2.839 13.614 138 HZ3 LYS 18 HZ3 LYS 18 81.824 -4.356 14.376 139 H GLN 19 HN GLN 19 82.290 -6.909 7.672 140 HA GLN 19 HA GLN 19 82.811 -9.731 8.387 141 HB2 GLN 19 HB2 GLN 19 84.216 -7.835 6.480 142 HB3 GLN 19 HB1 GLN 19 84.717 -9.495 6.819 143 HG2 GLN 19 HG2 GLN 19 81.944 -8.793 5.816 144 HG3 GLN 19 HG1 GLN 19 83.279 -9.204 4.738 145 HE21 GLN 19 HE21 GLN 19 84.343 -11.353 5.140 146 HE22 GLN 19 HE22 GLN 19 83.381 -12.619 5.727 147 H LYS 20 HN LYS 20 85.287 -10.024 8.832 148 HA LYS 20 HA LYS 20 85.857 -8.495 11.225 149 HB2 LYS 20 HB2 LYS 20 87.400 -10.752 9.912 150 HB3 LYS 20 HB1 LYS 20 87.715 -10.092 11.516 151 HG2 LYS 20 HG2 LYS 20 85.403 -10.713 12.191 152 HG3 LYS 20 HG1 LYS 20 85.175 -11.446 10.599 153 HD2 LYS 20 HD2 LYS 20 86.978 -13.023 11.005 154 HD3 LYS 20 HD1 LYS 20 87.371 -12.220 12.526 155 HE2 LYS 20 HE2 LYS 20 84.654 -13.421 11.991 156 HE3 LYS 20 HE1 LYS 20 85.972 -14.340 12.720 157 HZ1 LYS 20 HZ1 LYS 20 85.580 -13.381 14.641 158 HZ2 LYS 20 HZ2 LYS 20 84.214 -12.621 13.982 159 HZ3 LYS 20 HZ3 LYS 20 85.720 -11.835 13.973 160 HA PRO 21 HA PRO 21 88.477 -5.605 8.949 161 HB2 PRO 21 HB2 PRO 21 90.043 -4.914 11.286 162 HB3 PRO 21 HB1 PRO 21 88.818 -3.942 10.470 163 HG2 PRO 21 HG2 PRO 21 88.609 -5.271 12.974 164 HG3 PRO 21 HG1 PRO 21 87.341 -4.377 12.119 165 HD2 PRO 21 HD2 PRO 21 87.577 -7.238 12.511 166 HD3 PRO 21 HD1 PRO 21 86.255 -6.338 11.740 167 H ASP 22 HN ASP 22 90.481 -5.668 7.948 168 HA ASP 22 HA ASP 22 92.765 -6.879 9.068 169 HB2 ASP 22 HB2 ASP 22 91.359 -8.916 8.581 170 HB3 ASP 22 HB1 ASP 22 91.506 -8.506 6.866 171 H ILE 23 HN ILE 23 93.999 -5.251 8.321 172 HA ILE 23 HA ILE 23 93.761 -4.109 5.736 173 HB ILE 23 HB ILE 23 94.573 -3.079 7.934 174 HG12 ILE 23 HG12 ILE 23 95.886 -2.720 5.246 175 HG13 ILE 23 HG11 ILE 23 94.659 -1.720 5.997 176 HG21 ILE 23 HG21 ILE 23 96.291 -4.971 8.237 177 HG22 ILE 23 HG22 ILE 23 96.848 -3.323 8.534 178 HG23 ILE 23 HG23 ILE 23 97.258 -4.128 7.020 179 HD11 ILE 23 HD11 ILE 23 96.829 -0.575 6.073 180 HD12 ILE 23 HD12 ILE 23 97.553 -1.950 6.902 181 HD13 ILE 23 HD13 ILE 23 96.308 -0.991 7.706 182 H VAL 24 HN VAL 24 94.873 -4.467 3.902 183 HA VAL 24 HA VAL 24 96.929 -6.611 3.881 184 HB VAL 24 HB VAL 24 94.866 -5.818 1.840 185 HG11 VAL 24 HG11 VAL 24 96.775 -6.220 0.496 186 HG12 VAL 24 HG12 VAL 24 95.958 -7.785 0.536 187 HG13 VAL 24 HG13 VAL 24 97.362 -7.493 1.567 188 HG21 VAL 24 HG21 VAL 24 94.243 -8.216 2.080 189 HG22 VAL 24 HG22 VAL 24 94.102 -7.329 3.599 190 HG23 VAL 24 HG23 VAL 24 95.484 -8.389 3.323 191 H LEU 25 HN LEU 25 98.874 -6.196 3.055 192 HA LEU 25 HA LEU 25 99.409 -4.049 1.224 193 HB2 LEU 25 HB2 LEU 25 100.141 -3.812 4.162 194 HB3 LEU 25 HB1 LEU 25 101.183 -3.096 2.948 195 HG LEU 25 HG LEU 25 98.670 -2.179 2.146 196 HD11 LEU 25 HD11 LEU 25 98.676 -1.528 5.046 197 HD12 LEU 25 HD12 LEU 25 98.021 -3.105 4.607 198 HD13 LEU 25 HD13 LEU 25 97.329 -1.630 3.921 199 HD21 LEU 25 HD21 LEU 25 100.647 -0.811 2.188 200 HD22 LEU 25 HD22 LEU 25 100.734 -0.919 3.948 201 HD23 LEU 25 HD23 LEU 25 99.415 -0.035 3.182 202 H TYR 26 HN TYR 26 102.204 -3.912 2.034 203 HA TYR 26 HA TYR 26 103.089 -6.601 1.147 204 HB2 TYR 26 HB2 TYR 26 104.093 -3.796 0.674 205 HB3 TYR 26 HB1 TYR 26 105.191 -5.165 0.502 206 HD1 TYR 26 HD1 TYR 26 105.044 -6.657 -1.382 207 HD2 TYR 26 HD2 TYR 26 102.020 -3.667 -0.726 208 HE1 TYR 26 HE1 TYR 26 104.118 -7.086 -3.654 209 HE2 TYR 26 HE2 TYR 26 101.107 -4.097 -2.985 210 HH TYR 26 HH TYR 26 101.871 -6.800 -4.782 211 HA PRO 27 HA PRO 27 104.753 -6.156 5.422 212 HB2 PRO 27 HB2 PRO 27 104.980 -9.050 5.609 213 HB3 PRO 27 HB1 PRO 27 103.887 -7.969 6.498 214 HG2 PRO 27 HG2 PRO 27 103.157 -9.783 4.484 215 HG3 PRO 27 HG1 PRO 27 102.144 -8.493 5.146 216 HD2 PRO 27 HD2 PRO 27 103.546 -8.607 2.539 217 HD3 PRO 27 HD1 PRO 27 102.177 -7.600 3.047 218 H GLU 28 HN GLU 28 105.932 -7.936 2.654 219 HA GLU 28 HA GLU 28 108.623 -8.219 3.765 220 HB2 GLU 28 HB2 GLU 28 107.529 -9.960 2.283 221 HB3 GLU 28 HB1 GLU 28 107.756 -8.833 0.946 222 HG2 GLU 28 HG2 GLU 28 110.201 -8.765 1.508 223 HG3 GLU 28 HG1 GLU 28 109.908 -10.014 2.717 224 HA PRO 29 HA PRO 29 109.720 -4.204 2.056 225 HB2 PRO 29 HB2 PRO 29 112.548 -4.897 1.964 226 HB3 PRO 29 HB1 PRO 29 111.721 -3.796 3.071 227 HG2 PRO 29 HG2 PRO 29 112.763 -6.390 3.639 228 HG3 PRO 29 HG1 PRO 29 111.876 -5.317 4.720 229 HD2 PRO 29 HD2 PRO 29 110.956 -7.765 3.503 230 HD3 PRO 29 HD1 PRO 29 110.093 -6.708 4.642 231 H VAL 30 HN VAL 30 110.221 -3.371 -0.026 232 HA VAL 30 HA VAL 30 111.140 -5.320 -2.075 233 HB VAL 30 HB VAL 30 108.764 -3.438 -2.309 234 HG11 VAL 30 HG11 VAL 30 108.562 -4.359 -4.614 235 HG12 VAL 30 HG12 VAL 30 110.093 -5.199 -4.407 236 HG13 VAL 30 HG13 VAL 30 110.050 -3.432 -4.418 237 HG21 VAL 30 HG21 VAL 30 108.126 -5.448 -1.174 238 HG22 VAL 30 HG22 VAL 30 109.073 -6.452 -2.275 239 HG23 VAL 30 HG23 VAL 30 107.610 -5.648 -2.850 240 H ARG 31 HN ARG 31 112.590 -4.496 -3.532 241 HA ARG 31 HA ARG 31 112.997 -1.573 -3.674 242 HB2 ARG 31 HB2 ARG 31 115.438 -1.918 -3.527 243 HB3 ARG 31 HB1 ARG 31 114.616 -2.436 -2.052 244 HG2 ARG 31 HG2 ARG 31 114.568 -4.783 -3.033 245 HG3 ARG 31 HG1 ARG 31 115.661 -4.200 -4.284 246 HD2 ARG 31 HD2 ARG 31 116.186 -4.018 -1.310 247 HD3 ARG 31 HD1 ARG 31 116.832 -5.273 -2.366 248 HE ARG 31 HE ARG 31 117.530 -2.823 -3.509 249 HH11 ARG 31 HH11 ARG 31 118.497 -5.111 -1.198 250 HH12 ARG 31 HH12 ARG 31 119.845 -4.197 -0.607 251 HH21 ARG 31 HH21 ARG 31 119.022 -1.349 -2.431 252 HH22 ARG 31 HH22 ARG 31 120.171 -2.059 -1.350 253 H VAL 32 HN VAL 32 113.621 -0.835 -5.697 254 HA VAL 32 HA VAL 32 114.236 -2.872 -7.764 255 HB VAL 32 HB VAL 32 111.728 -1.865 -7.639 256 HG11 VAL 32 HG11 VAL 32 113.032 0.007 -9.633 257 HG12 VAL 32 HG12 VAL 32 112.705 0.498 -7.981 258 HG13 VAL 32 HG13 VAL 32 111.376 0.037 -9.036 259 HG21 VAL 32 HG21 VAL 32 111.709 -2.222 -10.205 260 HG22 VAL 32 HG22 VAL 32 112.225 -3.572 -9.200 261 HG23 VAL 32 HG23 VAL 32 113.424 -2.585 -10.030 262 H LEU 33 HN LEU 33 115.210 -2.006 -9.677 263 HA LEU 33 HA LEU 33 117.111 0.149 -9.055 264 HB2 LEU 33 HB2 LEU 33 117.073 -1.694 -11.464 265 HB3 LEU 33 HB1 LEU 33 118.412 -0.702 -10.888 266 HG LEU 33 HG LEU 33 117.157 -3.021 -9.412 267 HD11 LEU 33 HD11 LEU 33 118.573 -3.647 -11.346 268 HD12 LEU 33 HD12 LEU 33 119.295 -4.137 -9.810 269 HD13 LEU 33 HD13 LEU 33 119.898 -2.710 -10.654 270 HD21 LEU 33 HD21 LEU 33 119.288 -2.575 -7.951 271 HD22 LEU 33 HD22 LEU 33 117.864 -1.576 -7.708 272 HD23 LEU 33 HD23 LEU 33 119.222 -0.959 -8.648 273 H GLU 34 HN GLU 34 117.076 2.077 -9.983 274 HA GLU 34 HA GLU 34 114.946 3.251 -11.213 275 HB2 GLU 34 HB2 GLU 34 116.980 4.474 -10.477 276 HB3 GLU 34 HB1 GLU 34 117.817 3.884 -11.913 277 HG2 GLU 34 HG2 GLU 34 116.126 4.965 -13.357 278 HG3 GLU 34 HG1 GLU 34 115.289 5.559 -11.921 279 H GLY 35 HN GLY 35 113.945 3.103 -13.105 280 HA2 GLY 35 HA2 GLY 35 113.943 3.032 -15.520 281 HA3 GLY 35 HA1 GLY 35 115.375 2.005 -15.469 282 H GLU 36 HN GLU 36 113.454 1.058 -12.992 283 HA GLU 36 HA GLU 36 112.097 -1.015 -14.630 284 HB2 GLU 36 HB2 GLU 36 113.329 -1.206 -11.882 285 HB3 GLU 36 HB1 GLU 36 112.221 -2.414 -12.530 286 HG2 GLU 36 HG2 GLU 36 114.714 -1.527 -13.984 287 HG3 GLU 36 HG1 GLU 36 114.709 -2.914 -12.899 288 H THR 37 HN THR 37 110.005 -1.368 -14.322 289 HA THR 37 HA THR 37 108.574 0.601 -12.691 290 HB THR 37 HB THR 37 107.669 0.377 -14.858 291 HG1 THR 37 HG1 THR 37 105.811 -1.308 -13.983 292 HG21 THR 37 HG21 THR 37 108.680 -1.664 -15.637 293 HG22 THR 37 HG22 THR 37 106.936 -1.899 -15.717 294 HG23 THR 37 HG23 THR 37 107.858 -2.603 -14.394 295 H ALA 38 HN ALA 38 107.267 0.126 -10.951 296 HA ALA 38 HA ALA 38 107.264 -2.700 -10.008 297 HB1 ALA 38 HB1 ALA 38 108.772 -1.036 -8.736 298 HB2 ALA 38 HB2 ALA 38 107.631 -1.990 -7.782 299 HB3 ALA 38 HB3 ALA 38 107.271 -0.313 -8.167 300 H ARG 39 HN ARG 39 105.467 -3.005 -8.312 301 HA ARG 39 HA ARG 39 103.066 -1.377 -8.889 302 HB2 ARG 39 HB2 ARG 39 103.185 -4.396 -9.109 303 HB3 ARG 39 HB1 ARG 39 101.710 -3.434 -9.150 304 HG2 ARG 39 HG2 ARG 39 102.439 -2.293 -11.160 305 HG3 ARG 39 HG1 ARG 39 103.999 -3.110 -11.114 306 HD2 ARG 39 HD2 ARG 39 102.846 -5.286 -11.360 307 HD3 ARG 39 HD1 ARG 39 101.292 -4.465 -11.456 308 HE ARG 39 HE ARG 39 102.924 -3.343 -13.429 309 HH11 ARG 39 HH11 ARG 39 100.333 -5.314 -13.423 310 HH12 ARG 39 HH12 ARG 39 100.844 -6.377 -14.691 311 HH21 ARG 39 HH21 ARG 39 104.103 -5.217 -14.728 312 HH22 ARG 39 HH22 ARG 39 102.967 -6.299 -15.463 313 H PHE 40 HN PHE 40 102.152 -0.813 -7.032 314 HA PHE 40 HA PHE 40 102.155 -2.686 -4.734 315 HB2 PHE 40 HB2 PHE 40 102.833 0.268 -4.554 316 HB3 PHE 40 HB1 PHE 40 102.660 -0.841 -3.205 317 HD1 PHE 40 HD1 PHE 40 104.204 -2.858 -3.102 318 HD2 PHE 40 HD2 PHE 40 104.940 0.541 -5.628 319 HE1 PHE 40 HE1 PHE 40 106.598 -3.475 -3.217 320 HE2 PHE 40 HE2 PHE 40 107.336 -0.094 -5.765 321 HZ PHE 40 HZ PHE 40 108.181 -2.080 -4.535 322 H ARG 41 HN ARG 41 100.390 -2.336 -3.303 323 HA ARG 41 HA ARG 41 98.410 -0.304 -4.029 324 HB2 ARG 41 HB2 ARG 41 96.597 -1.928 -4.289 325 HB3 ARG 41 HB1 ARG 41 97.864 -2.222 -5.482 326 HG2 ARG 41 HG2 ARG 41 98.797 -4.025 -4.106 327 HG3 ARG 41 HG1 ARG 41 97.604 -3.717 -2.850 328 HD2 ARG 41 HD2 ARG 41 95.801 -4.319 -4.422 329 HD3 ARG 41 HD1 ARG 41 97.002 -4.626 -5.674 330 HE ARG 41 HE ARG 41 97.591 -6.141 -3.338 331 HH11 ARG 41 HH11 ARG 41 97.534 -8.399 -3.777 332 HH12 ARG 41 HH12 ARG 41 96.312 -9.017 -4.832 333 HH21 ARG 41 HH21 ARG 41 95.092 -5.906 -5.702 334 HH22 ARG 41 HH22 ARG 41 94.944 -7.619 -5.911 335 H CYS 42 HN CYS 42 96.564 -0.293 -2.467 336 HA CYS 42 HA CYS 42 97.241 -1.474 0.162 337 HB2 CYS 42 HB2 CYS 42 96.709 1.445 -0.428 338 HB3 CYS 42 HB1 CYS 42 96.579 0.740 1.181 339 HG CYS 42 HG CYS 42 99.090 1.740 0.268 340 H ARG 43 HN ARG 43 95.498 -2.817 0.240 341 HA ARG 43 HA ARG 43 92.801 -1.621 -0.161 342 HB2 ARG 43 HB2 ARG 43 93.438 -3.553 -1.637 343 HB3 ARG 43 HB1 ARG 43 93.604 -4.557 -0.197 344 HG2 ARG 43 HG2 ARG 43 91.246 -4.181 0.355 345 HG3 ARG 43 HG1 ARG 43 91.063 -3.106 -1.023 346 HD2 ARG 43 HD2 ARG 43 91.620 -4.938 -2.563 347 HD3 ARG 43 HD1 ARG 43 91.845 -6.025 -1.200 348 HE ARG 43 HE ARG 43 89.469 -5.994 -0.826 349 HH11 ARG 43 HH11 ARG 43 87.951 -6.680 -2.546 350 HH12 ARG 43 HH12 ARG 43 87.500 -5.468 -3.697 351 HH21 ARG 43 HH21 ARG 43 90.031 -3.275 -2.754 352 HH22 ARG 43 HH22 ARG 43 88.711 -3.533 -3.836 353 H VAL 44 HN VAL 44 91.117 -2.514 1.467 354 HA VAL 44 HA VAL 44 92.340 -3.193 4.049 355 HB VAL 44 HB VAL 44 90.008 -1.298 3.560 356 HG11 VAL 44 HG11 VAL 44 91.360 -2.374 6.039 357 HG12 VAL 44 HG12 VAL 44 89.636 -2.289 5.668 358 HG13 VAL 44 HG13 VAL 44 90.526 -0.821 6.062 359 HG21 VAL 44 HG21 VAL 44 92.743 -0.601 4.651 360 HG22 VAL 44 HG22 VAL 44 91.480 0.503 4.102 361 HG23 VAL 44 HG23 VAL 44 92.361 -0.477 2.937 362 H THR 45 HN THR 45 90.416 -4.088 5.500 363 HA THR 45 HA THR 45 88.490 -5.562 3.821 364 HB THR 45 HB THR 45 90.101 -6.821 6.047 365 HG1 THR 45 HG1 THR 45 91.283 -7.773 4.437 366 HG21 THR 45 HG21 THR 45 88.119 -7.889 4.025 367 HG22 THR 45 HG22 THR 45 87.962 -7.878 5.784 368 HG23 THR 45 HG23 THR 45 89.166 -8.915 5.011 369 H GLY 46 HN GLY 46 86.491 -5.783 4.725 370 HA2 GLY 46 HA2 GLY 46 85.510 -5.932 7.186 371 HA3 GLY 46 HA1 GLY 46 86.029 -4.249 7.185 372 H TYR 47 HN TYR 47 84.886 -2.728 6.069 373 HA TYR 47 HA TYR 47 82.532 -3.583 4.515 374 HB2 TYR 47 HB2 TYR 47 81.578 -1.351 5.893 375 HB3 TYR 47 HB1 TYR 47 81.211 -3.022 6.308 376 HD1 TYR 47 HD1 TYR 47 82.938 0.011 7.340 377 HD2 TYR 47 HD2 TYR 47 82.670 -4.235 7.969 378 HE1 TYR 47 HE1 TYR 47 84.130 0.250 9.518 379 HE2 TYR 47 HE2 TYR 47 83.866 -3.992 10.141 380 HH TYR 47 HH TYR 47 85.140 -2.578 11.369 381 HA PRO 48 HA PRO 48 83.846 -0.290 1.855 382 HB2 PRO 48 HB2 PRO 48 81.268 0.990 1.436 383 HB3 PRO 48 HB1 PRO 48 82.137 -0.100 0.351 384 HG2 PRO 48 HG2 PRO 48 79.796 -0.709 1.659 385 HG3 PRO 48 HG1 PRO 48 80.938 -1.905 1.027 386 HD2 PRO 48 HD2 PRO 48 80.512 -1.012 3.836 387 HD3 PRO 48 HD1 PRO 48 81.026 -2.593 3.220 388 H GLN 49 HN GLN 49 84.535 1.814 1.764 389 HA GLN 49 HA GLN 49 85.182 3.859 2.557 390 HB2 GLN 49 HB2 GLN 49 82.748 4.212 1.900 391 HB3 GLN 49 HB1 GLN 49 82.372 4.115 3.619 392 HG2 GLN 49 HG2 GLN 49 82.651 6.423 3.264 393 HG3 GLN 49 HG1 GLN 49 84.217 5.940 3.919 394 HE21 GLN 49 HE21 GLN 49 85.904 6.858 2.750 395 HE22 GLN 49 HE22 GLN 49 85.886 7.164 1.084 396 HA PRO 50 HA PRO 50 85.550 2.685 7.045 397 HB2 PRO 50 HB2 PRO 50 88.323 1.893 6.628 398 HB3 PRO 50 HB1 PRO 50 86.963 0.860 7.098 399 HG2 PRO 50 HG2 PRO 50 88.254 0.676 4.681 400 HG3 PRO 50 HG1 PRO 50 86.571 0.181 4.955 401 HD2 PRO 50 HD2 PRO 50 87.593 2.769 3.783 402 HD3 PRO 50 HD1 PRO 50 86.269 1.737 3.209 403 H LYS 51 HN LYS 51 87.696 3.446 8.434 404 HA LYS 51 HA LYS 51 88.362 6.179 7.441 405 HB2 LYS 51 HB2 LYS 51 88.246 5.053 10.267 406 HB3 LYS 51 HB1 LYS 51 88.877 6.646 9.867 407 HG2 LYS 51 HG2 LYS 51 86.666 7.275 8.926 408 HG3 LYS 51 HG1 LYS 51 86.035 5.676 9.350 409 HD2 LYS 51 HD2 LYS 51 86.573 6.114 11.733 410 HD3 LYS 51 HD1 LYS 51 87.151 7.719 11.291 411 HE2 LYS 51 HE2 LYS 51 84.904 8.268 10.401 412 HE3 LYS 51 HE1 LYS 51 84.333 6.679 10.911 413 HZ1 LYS 51 HZ1 LYS 51 84.431 7.248 13.112 414 HZ2 LYS 51 HZ2 LYS 51 84.067 8.768 12.444 415 HZ3 LYS 51 HZ3 LYS 51 85.664 8.397 12.894 416 H VAL 52 HN VAL 52 90.347 6.061 6.444 417 HA VAL 52 HA VAL 52 92.557 4.860 7.914 418 HB VAL 52 HB VAL 52 93.279 3.379 6.209 419 HG11 VAL 52 HG11 VAL 52 90.268 3.095 6.302 420 HG12 VAL 52 HG12 VAL 52 91.349 2.596 7.598 421 HG13 VAL 52 HG13 VAL 52 91.439 1.808 6.032 422 HG21 VAL 52 HG21 VAL 52 91.933 3.167 4.055 423 HG22 VAL 52 HG22 VAL 52 92.904 4.627 4.223 424 HG23 VAL 52 HG23 VAL 52 91.165 4.694 4.498 425 H ASN 53 HN ASN 53 94.618 5.376 7.005 426 HA ASN 53 HA ASN 53 94.785 7.488 5.003 427 HB2 ASN 53 HB2 ASN 53 95.832 7.833 7.829 428 HB3 ASN 53 HB1 ASN 53 96.219 8.904 6.483 429 HD21 ASN 53 HD21 ASN 53 94.198 8.701 9.111 430 HD22 ASN 53 HD22 ASN 53 92.889 9.616 8.540 431 H TRP 54 HN TRP 54 97.009 7.652 4.140 432 HA TRP 54 HA TRP 54 98.793 5.483 5.067 433 HB2 TRP 54 HB2 TRP 54 99.206 5.085 2.520 434 HB3 TRP 54 HB1 TRP 54 97.818 4.346 3.303 435 HD1 TRP 54 HD1 TRP 54 95.549 4.822 2.366 436 HE1 TRP 54 HE1 TRP 54 94.580 6.352 0.538 437 HE3 TRP 54 HE3 TRP 54 99.636 7.702 1.352 438 HZ2 TRP 54 HZ2 TRP 54 95.403 8.535 -1.105 439 HZ3 TRP 54 HZ3 TRP 54 99.491 9.529 -0.330 440 HH2 TRP 54 HH2 TRP 54 97.382 9.927 -1.565 441 H TYR 55 HN TYR 55 100.964 5.619 4.165 442 HA TYR 55 HA TYR 55 101.829 8.322 3.432 443 HB2 TYR 55 HB2 TYR 55 103.268 6.688 5.532 444 HB3 TYR 55 HB1 TYR 55 103.541 8.370 5.099 445 HD1 TYR 55 HD1 TYR 55 102.758 9.929 6.625 446 HD2 TYR 55 HD2 TYR 55 100.657 6.212 6.274 447 HE1 TYR 55 HE1 TYR 55 101.208 10.630 8.429 448 HE2 TYR 55 HE2 TYR 55 99.096 6.924 8.036 449 HH TYR 55 HH TYR 55 99.209 10.168 9.425 450 H LEU 56 HN LEU 56 102.952 8.020 1.498 451 HA LEU 56 HA LEU 56 104.535 5.538 1.202 452 HB2 LEU 56 HB2 LEU 56 104.822 6.553 -1.215 453 HB3 LEU 56 HB1 LEU 56 103.337 5.716 -0.775 454 HG LEU 56 HG LEU 56 102.994 7.884 -1.993 455 HD11 LEU 56 HD11 LEU 56 101.625 8.648 0.429 456 HD12 LEU 56 HD12 LEU 56 101.574 6.895 0.251 457 HD13 LEU 56 HD13 LEU 56 100.985 7.931 -1.046 458 HD21 LEU 56 HD21 LEU 56 103.820 9.256 0.550 459 HD22 LEU 56 HD22 LEU 56 103.516 9.973 -1.017 460 HD23 LEU 56 HD23 LEU 56 104.961 8.992 -0.762 461 H ASN 57 HN ASN 57 106.800 5.732 0.503 462 HA ASN 57 HA ASN 57 108.893 6.506 0.913 463 HB2 ASN 57 HB2 ASN 57 108.032 7.870 -1.065 464 HB3 ASN 57 HB1 ASN 57 107.756 9.167 0.083 465 HD21 ASN 57 HD21 ASN 57 110.263 7.384 -1.644 466 HD22 ASN 57 HD22 ASN 57 111.560 8.359 -1.141 467 H GLY 58 HN GLY 58 106.504 7.270 2.988 468 HA2 GLY 58 HA2 GLY 58 106.883 7.807 5.267 469 HA3 GLY 58 HA1 GLY 58 108.327 8.696 4.809 470 H GLN 59 HN GLN 59 105.927 9.514 2.695 471 HA GLN 59 HA GLN 59 105.191 11.938 4.217 472 HB2 GLN 59 HB2 GLN 59 105.416 11.428 1.242 473 HB3 GLN 59 HB1 GLN 59 104.694 12.883 1.920 474 HG2 GLN 59 HG2 GLN 59 106.778 13.466 3.025 475 HG3 GLN 59 HG1 GLN 59 107.523 11.958 2.503 476 HE21 GLN 59 HE21 GLN 59 109.024 13.950 1.593 477 HE22 GLN 59 HE22 GLN 59 108.689 14.361 -0.024 478 H LEU 60 HN LEU 60 103.033 12.540 4.394 479 HA LEU 60 HA LEU 60 101.084 10.432 3.859 480 HB2 LEU 60 HB2 LEU 60 99.575 12.180 5.095 481 HB3 LEU 60 HB1 LEU 60 100.782 11.306 6.019 482 HG LEU 60 HG LEU 60 101.694 13.859 4.744 483 HD11 LEU 60 HD11 LEU 60 100.771 15.171 6.701 484 HD12 LEU 60 HD12 LEU 60 99.810 13.752 7.122 485 HD13 LEU 60 HD13 LEU 60 99.535 14.576 5.589 486 HD21 LEU 60 HD21 LEU 60 103.056 12.270 6.213 487 HD22 LEU 60 HD22 LEU 60 102.074 12.856 7.554 488 HD23 LEU 60 HD23 LEU 60 103.085 13.977 6.649 489 H ILE 61 HN ILE 61 99.153 10.788 2.710 490 HA ILE 61 HA ILE 61 97.910 11.496 0.961 491 HB ILE 61 HB ILE 61 97.170 13.149 2.516 492 HG12 ILE 61 HG12 ILE 61 96.456 14.939 0.946 493 HG13 ILE 61 HG11 ILE 61 97.642 14.359 -0.228 494 HG21 ILE 61 HG21 ILE 61 98.146 15.467 2.437 495 HG22 ILE 61 HG22 ILE 61 99.544 14.776 1.639 496 HG23 ILE 61 HG23 ILE 61 99.115 14.261 3.277 497 HD11 ILE 61 HD11 ILE 61 96.427 12.406 -0.683 498 HD12 ILE 61 HD12 ILE 61 95.121 13.538 -0.332 499 HD13 ILE 61 HD13 ILE 61 95.649 12.403 0.901 500 H ARG 62 HN ARG 62 98.310 11.281 -0.991 501 HA ARG 62 HA ARG 62 100.678 12.594 -2.248 502 HB2 ARG 62 HB2 ARG 62 100.738 10.092 -2.323 503 HB3 ARG 62 HB1 ARG 62 99.211 10.121 -3.213 504 HG2 ARG 62 HG2 ARG 62 100.223 11.382 -5.029 505 HG3 ARG 62 HG1 ARG 62 101.732 11.529 -4.134 506 HD2 ARG 62 HD2 ARG 62 101.983 9.728 -5.729 507 HD3 ARG 62 HD1 ARG 62 101.912 9.031 -4.115 508 HE ARG 62 HE ARG 62 99.311 9.120 -5.291 509 HH11 ARG 62 HH11 ARG 62 102.366 7.525 -5.410 510 HH12 ARG 62 HH12 ARG 62 101.739 6.003 -5.947 511 HH21 ARG 62 HH21 ARG 62 98.439 7.165 -6.091 512 HH22 ARG 62 HH22 ARG 62 99.490 5.815 -6.370 513 H LYS 63 HN LYS 63 100.348 13.495 -4.386 514 HA LYS 63 HA LYS 63 98.100 15.090 -4.625 515 HB2 LYS 63 HB2 LYS 63 99.836 14.059 -6.878 516 HB3 LYS 63 HB1 LYS 63 98.792 15.482 -6.955 517 HG2 LYS 63 HG2 LYS 63 101.073 15.115 -4.979 518 HG3 LYS 63 HG1 LYS 63 101.181 16.046 -6.462 519 HD2 LYS 63 HD2 LYS 63 100.519 17.828 -5.180 520 HD3 LYS 63 HD1 LYS 63 98.906 17.145 -5.311 521 HE2 LYS 63 HE2 LYS 63 99.022 17.287 -3.016 522 HE3 LYS 63 HE1 LYS 63 99.827 15.728 -3.182 523 HZ1 LYS 63 HZ1 LYS 63 100.996 17.521 -1.806 524 HZ2 LYS 63 HZ2 LYS 63 101.366 18.268 -3.291 525 HZ3 LYS 63 HZ3 LYS 63 101.924 16.698 -2.961 526 H SER 64 HN SER 64 96.253 15.044 -5.891 527 HA SER 64 HA SER 64 94.868 12.567 -5.989 528 HB2 SER 64 HB2 SER 64 94.070 15.236 -7.146 529 HB3 SER 64 HB1 SER 64 92.982 13.905 -6.736 530 HG SER 64 HG SER 64 94.197 15.791 -5.139 531 H LYS 65 HN LYS 65 93.417 13.648 -8.433 532 HA LYS 65 HA LYS 65 93.540 11.935 -10.327 533 HB2 LYS 65 HB2 LYS 65 93.892 14.882 -10.898 534 HB3 LYS 65 HB1 LYS 65 93.399 13.683 -12.090 535 HG2 LYS 65 HG2 LYS 65 91.462 13.081 -10.659 536 HG3 LYS 65 HG1 LYS 65 91.947 14.343 -9.526 537 HD2 LYS 65 HD2 LYS 65 91.667 16.071 -11.226 538 HD3 LYS 65 HD1 LYS 65 91.289 14.858 -12.453 539 HE2 LYS 65 HE2 LYS 65 89.189 15.729 -11.706 540 HE3 LYS 65 HE1 LYS 65 89.345 14.143 -10.954 541 HZ1 LYS 65 HZ1 LYS 65 88.778 15.438 -9.165 542 HZ2 LYS 65 HZ2 LYS 65 89.609 16.802 -9.742 543 HZ3 LYS 65 HZ3 LYS 65 90.469 15.500 -9.077 544 H ARG 66 HN ARG 66 96.442 13.849 -9.709 545 HA ARG 66 HA ARG 66 97.861 13.227 -12.082 546 HB2 ARG 66 HB2 ARG 66 98.554 14.959 -10.441 547 HB3 ARG 66 HB1 ARG 66 98.962 13.675 -9.306 548 HG2 ARG 66 HG2 ARG 66 100.605 12.758 -10.928 549 HG3 ARG 66 HG1 ARG 66 100.236 14.083 -12.032 550 HD2 ARG 66 HD2 ARG 66 101.218 14.458 -9.192 551 HD3 ARG 66 HD1 ARG 66 102.279 14.486 -10.598 552 HE ARG 66 HE ARG 66 100.573 16.605 -9.698 553 HH11 ARG 66 HH11 ARG 66 100.516 18.494 -11.026 554 HH12 ARG 66 HH12 ARG 66 101.103 18.396 -12.655 555 HH21 ARG 66 HH21 ARG 66 101.957 15.052 -12.466 556 HH22 ARG 66 HH22 ARG 66 101.924 16.482 -13.438 557 H PHE 67 HN PHE 67 97.527 11.590 -8.990 558 HA PHE 67 HA PHE 67 98.721 9.144 -10.152 559 HB2 PHE 67 HB2 PHE 67 98.891 10.220 -7.336 560 HB3 PHE 67 HB1 PHE 67 99.280 8.553 -7.743 561 HD1 PHE 67 HD1 PHE 67 100.436 11.990 -7.757 562 HD2 PHE 67 HD2 PHE 67 101.132 8.103 -9.470 563 HE1 PHE 67 HE1 PHE 67 102.694 12.705 -8.455 564 HE2 PHE 67 HE2 PHE 67 103.406 8.831 -10.172 565 HZ PHE 67 HZ PHE 67 104.193 11.130 -9.651 566 H ARG 68 HN ARG 68 97.675 7.140 -9.564 567 HA ARG 68 HA ARG 68 94.830 7.366 -9.334 568 HB2 ARG 68 HB2 ARG 68 96.685 5.004 -9.261 569 HB3 ARG 68 HB1 ARG 68 94.929 4.847 -9.189 570 HG2 ARG 68 HG2 ARG 68 94.739 6.048 -11.340 571 HG3 ARG 68 HG1 ARG 68 96.493 6.186 -11.430 572 HD2 ARG 68 HD2 ARG 68 96.666 3.709 -11.377 573 HD3 ARG 68 HD1 ARG 68 94.908 3.609 -11.367 574 HE ARG 68 HE ARG 68 95.579 5.146 -13.570 575 HH11 ARG 68 HH11 ARG 68 94.033 2.652 -13.895 576 HH12 ARG 68 HH12 ARG 68 95.125 1.624 -14.759 577 HH21 ARG 68 HH21 ARG 68 97.921 3.551 -14.091 578 HH22 ARG 68 HH22 ARG 68 97.328 2.108 -14.852 579 H VAL 69 HN VAL 69 93.724 7.769 -7.548 580 HA VAL 69 HA VAL 69 94.301 6.294 -5.077 581 HB VAL 69 HB VAL 69 94.208 8.423 -3.730 582 HG11 VAL 69 HG11 VAL 69 96.313 7.168 -4.352 583 HG12 VAL 69 HG12 VAL 69 96.546 8.881 -4.009 584 HG13 VAL 69 HG13 VAL 69 96.517 8.311 -5.676 585 HG21 VAL 69 HG21 VAL 69 94.555 9.625 -6.496 586 HG22 VAL 69 HG22 VAL 69 94.861 10.493 -4.992 587 HG23 VAL 69 HG23 VAL 69 93.238 9.925 -5.362 588 H ARG 70 HN ARG 70 92.493 5.758 -4.024 589 HA ARG 70 HA ARG 70 90.007 7.324 -4.496 590 HB2 ARG 70 HB2 ARG 70 90.053 5.201 -5.878 591 HB3 ARG 70 HB1 ARG 70 90.117 4.293 -4.372 592 HG2 ARG 70 HG2 ARG 70 87.813 4.331 -4.699 593 HG3 ARG 70 HG1 ARG 70 87.992 5.812 -3.763 594 HD2 ARG 70 HD2 ARG 70 86.628 6.363 -5.656 595 HD3 ARG 70 HD1 ARG 70 88.212 7.040 -5.979 596 HE ARG 70 HE ARG 70 88.476 5.498 -7.725 597 HH11 ARG 70 HH11 ARG 70 86.113 5.551 -9.000 598 HH12 ARG 70 HH12 ARG 70 85.246 4.086 -8.679 599 HH21 ARG 70 HH21 ARG 70 87.206 3.204 -5.967 600 HH22 ARG 70 HH22 ARG 70 85.876 2.760 -6.973 601 H TYR 71 HN TYR 71 89.840 8.253 -2.489 602 HA TYR 71 HA TYR 71 90.641 6.878 -0.103 603 HB2 TYR 71 HB2 TYR 71 88.840 9.301 -0.367 604 HB3 TYR 71 HB1 TYR 71 89.771 8.828 1.060 605 HD1 TYR 71 HD1 TYR 71 89.859 10.405 -2.233 606 HD2 TYR 71 HD2 TYR 71 92.306 8.949 0.995 607 HE1 TYR 71 HE1 TYR 71 91.817 11.640 -3.142 608 HE2 TYR 71 HE2 TYR 71 94.242 10.179 0.085 609 HH TYR 71 HH TYR 71 94.076 12.615 -1.922 610 H ASP 72 HN ASP 72 89.463 4.933 -0.113 611 HA ASP 72 HA ASP 72 87.042 4.967 1.331 612 HB2 ASP 72 HB2 ASP 72 85.548 3.996 -0.372 613 HB3 ASP 72 HB1 ASP 72 86.080 5.608 -0.844 614 H GLY 73 HN GLY 73 89.753 3.817 1.239 615 HA2 GLY 73 HA2 GLY 73 90.262 1.738 2.400 616 HA3 GLY 73 HA1 GLY 73 89.010 0.955 1.447 617 H ILE 74 HN ILE 74 90.028 2.598 -0.911 618 HA ILE 74 HA ILE 74 92.234 0.764 -1.700 619 HB ILE 74 HB ILE 74 90.154 2.195 -3.350 620 HG12 ILE 74 HG12 ILE 74 89.681 -0.365 -3.885 621 HG13 ILE 74 HG11 ILE 74 90.470 -0.634 -2.337 622 HG21 ILE 74 HG21 ILE 74 91.140 0.668 -5.160 623 HG22 ILE 74 HG22 ILE 74 92.515 0.472 -4.073 624 HG23 ILE 74 HG23 ILE 74 92.096 2.070 -4.683 625 HD11 ILE 74 HD11 ILE 74 88.201 1.358 -2.582 626 HD12 ILE 74 HD12 ILE 74 88.805 0.546 -1.138 627 HD13 ILE 74 HD13 ILE 74 87.894 -0.358 -2.341 628 H HIS 75 HN HIS 75 94.202 1.691 -1.898 629 HA HIS 75 HA HIS 75 94.437 4.402 -3.064 630 HB2 HIS 75 HB2 HIS 75 96.485 3.730 -1.007 631 HB3 HIS 75 HB1 HIS 75 95.644 5.251 -1.311 632 HD1 HIS 75 HD1 HIS 75 95.316 2.040 0.609 633 HD2 HIS 75 HD2 HIS 75 93.126 5.528 0.032 634 HE1 HIS 75 HE1 HIS 75 93.429 1.964 2.273 635 H TYR 76 HN TYR 76 95.320 3.905 -5.031 636 HA TYR 76 HA TYR 76 97.177 1.675 -5.279 637 HB2 TYR 76 HB2 TYR 76 95.801 3.523 -7.212 638 HB3 TYR 76 HB1 TYR 76 97.251 2.677 -7.748 639 HD1 TYR 76 HD1 TYR 76 96.147 1.270 -9.377 640 HD2 TYR 76 HD2 TYR 76 94.887 1.223 -5.249 641 HE1 TYR 76 HE1 TYR 76 94.856 -0.793 -9.796 642 HE2 TYR 76 HE2 TYR 76 93.582 -0.834 -5.696 643 HH TYR 76 HH TYR 76 93.901 -2.644 -8.580 644 H LEU 77 HN LEU 77 99.261 1.684 -5.625 645 HA LEU 77 HA LEU 77 100.692 4.272 -5.801 646 HB2 LEU 77 HB2 LEU 77 101.349 1.926 -4.017 647 HB3 LEU 77 HB1 LEU 77 102.386 3.337 -4.235 648 HG LEU 77 HG LEU 77 99.535 3.398 -3.191 649 HD11 LEU 77 HD11 LEU 77 100.625 3.883 -1.014 650 HD12 LEU 77 HD12 LEU 77 102.201 3.638 -1.771 651 HD13 LEU 77 HD13 LEU 77 101.064 2.298 -1.645 652 HD21 LEU 77 HD21 LEU 77 101.591 5.519 -3.748 653 HD22 LEU 77 HD22 LEU 77 100.463 5.739 -2.416 654 HD23 LEU 77 HD23 LEU 77 99.858 5.539 -4.049 655 H ASP 78 HN ASP 78 100.965 3.834 -8.082 656 HA ASP 78 HA ASP 78 102.820 1.566 -8.654 657 HB2 ASP 78 HB2 ASP 78 100.567 1.513 -9.765 658 HB3 ASP 78 HB1 ASP 78 101.043 2.960 -10.651 659 H ILE 79 HN ILE 79 104.664 1.896 -9.748 660 HA ILE 79 HA ILE 79 105.384 4.661 -10.516 661 HB ILE 79 HB ILE 79 107.784 3.904 -9.983 662 HG12 ILE 79 HG12 ILE 79 106.308 1.908 -8.252 663 HG13 ILE 79 HG11 ILE 79 107.057 1.454 -9.779 664 HG21 ILE 79 HG21 ILE 79 107.527 4.503 -7.601 665 HG22 ILE 79 HG22 ILE 79 105.806 4.147 -7.690 666 HG23 ILE 79 HG23 ILE 79 106.463 5.507 -8.583 667 HD11 ILE 79 HD11 ILE 79 109.064 1.303 -8.794 668 HD12 ILE 79 HD12 ILE 79 108.284 1.612 -7.245 669 HD13 ILE 79 HD13 ILE 79 108.950 2.952 -8.177 670 H VAL 80 HN VAL 80 107.116 4.708 -12.224 671 HA VAL 80 HA VAL 80 106.962 2.389 -14.038 672 HB VAL 80 HB VAL 80 106.672 5.280 -14.888 673 HG11 VAL 80 HG11 VAL 80 105.701 4.032 -16.956 674 HG12 VAL 80 HG12 VAL 80 106.558 2.632 -16.306 675 HG13 VAL 80 HG13 VAL 80 107.454 4.088 -16.740 676 HG21 VAL 80 HG21 VAL 80 104.525 3.163 -14.436 677 HG22 VAL 80 HG22 VAL 80 104.237 4.705 -15.242 678 HG23 VAL 80 HG23 VAL 80 104.709 4.673 -13.541 679 H ASP 81 HN ASP 81 108.612 2.763 -15.923 680 HA ASP 81 HA ASP 81 111.146 3.020 -14.692 681 HB2 ASP 81 HB2 ASP 81 110.431 2.959 -17.645 682 HB3 ASP 81 HB1 ASP 81 112.058 2.772 -16.999 683 H CYS 82 HN CYS 82 110.480 5.182 -13.785 684 HA CYS 82 HA CYS 82 112.096 7.212 -14.741 685 HB2 CYS 82 HB2 CYS 82 110.201 7.251 -16.565 686 HB3 CYS 82 HB1 CYS 82 109.214 7.943 -15.287 687 HG CYS 82 HG CYS 82 110.842 9.958 -15.142 688 H LYS 83 HN LYS 83 112.415 8.627 -13.013 689 HA LYS 83 HA LYS 83 112.087 9.608 -10.987 690 HB2 LYS 83 HB2 LYS 83 109.126 9.181 -11.371 691 HB3 LYS 83 HB1 LYS 83 109.935 10.450 -10.451 692 HG2 LYS 83 HG2 LYS 83 110.984 11.234 -12.598 693 HG3 LYS 83 HG1 LYS 83 109.953 10.104 -13.458 694 HD2 LYS 83 HD2 LYS 83 108.786 12.139 -11.567 695 HD3 LYS 83 HD1 LYS 83 109.155 12.556 -13.238 696 HE2 LYS 83 HE2 LYS 83 107.363 10.233 -12.415 697 HE3 LYS 83 HE1 LYS 83 106.785 11.789 -13.010 698 HZ1 LYS 83 HZ1 LYS 83 108.537 11.151 -14.910 699 HZ2 LYS 83 HZ2 LYS 83 106.892 10.734 -14.968 700 HZ3 LYS 83 HZ3 LYS 83 108.036 9.596 -14.445 701 H SER 84 HN SER 84 113.003 7.332 -10.453 702 HA SER 84 HA SER 84 111.275 6.176 -8.387 703 HB2 SER 84 HB2 SER 84 111.417 4.040 -9.225 704 HB3 SER 84 HB1 SER 84 111.694 4.875 -10.756 705 HG SER 84 HG SER 84 113.272 3.243 -10.063 706 H TYR 85 HN TYR 85 114.487 6.815 -9.680 707 HA TYR 85 HA TYR 85 116.165 5.672 -7.824 708 HB2 TYR 85 HB2 TYR 85 117.121 6.656 -9.736 709 HB3 TYR 85 HB1 TYR 85 116.373 8.213 -9.424 710 HD1 TYR 85 HD1 TYR 85 117.937 9.842 -8.834 711 HD2 TYR 85 HD2 TYR 85 118.482 5.838 -7.428 712 HE1 TYR 85 HE1 TYR 85 119.955 10.560 -7.607 713 HE2 TYR 85 HE2 TYR 85 120.515 6.535 -6.195 714 HH TYR 85 HH TYR 85 121.403 9.939 -5.934 715 H ASP 86 HN ASP 86 114.474 6.100 -5.865 716 HA ASP 86 HA ASP 86 115.809 8.024 -4.159 717 HB2 ASP 86 HB2 ASP 86 113.983 9.294 -5.443 718 HB3 ASP 86 HB1 ASP 86 112.832 8.317 -4.542 719 H THR 87 HN THR 87 116.139 6.837 -2.354 720 HA THR 87 HA THR 87 114.374 4.629 -1.740 721 HB THR 87 HB THR 87 115.981 4.106 -0.006 722 HG1 THR 87 HG1 THR 87 116.447 6.757 -0.150 723 HG21 THR 87 HG21 THR 87 116.485 3.676 -2.439 724 HG22 THR 87 HG22 THR 87 117.908 3.788 -1.403 725 HG23 THR 87 HG23 THR 87 117.456 5.147 -2.428 726 H GLY 88 HN GLY 88 112.682 4.638 -0.319 727 HA2 GLY 88 HA2 GLY 88 112.597 6.730 1.753 728 HA3 GLY 88 HA1 GLY 88 111.245 6.553 0.636 729 H GLU 89 HN GLU 89 109.968 6.117 2.550 730 HA GLU 89 HA GLU 89 110.019 3.228 3.243 731 HB2 GLU 89 HB2 GLU 89 109.606 3.701 5.589 732 HB3 GLU 89 HB1 GLU 89 111.117 4.454 5.084 733 HG2 GLU 89 HG2 GLU 89 109.869 6.594 4.736 734 HG3 GLU 89 HG1 GLU 89 108.433 5.841 5.405 735 H VAL 90 HN VAL 90 107.996 2.277 3.226 736 HA VAL 90 HA VAL 90 105.685 4.080 2.826 737 HB VAL 90 HB VAL 90 106.119 1.186 2.009 738 HG11 VAL 90 HG11 VAL 90 103.902 1.642 0.792 739 HG12 VAL 90 HG12 VAL 90 103.723 3.028 1.868 740 HG13 VAL 90 HG13 VAL 90 103.806 1.396 2.536 741 HG21 VAL 90 HG21 VAL 90 106.110 3.834 0.547 742 HG22 VAL 90 HG22 VAL 90 105.743 2.329 -0.292 743 HG23 VAL 90 HG23 VAL 90 107.303 2.542 0.485 744 H LYS 91 HN LYS 91 104.820 4.420 4.794 745 HA LYS 91 HA LYS 91 104.179 2.056 6.491 746 HB2 LYS 91 HB2 LYS 91 105.751 3.909 7.409 747 HB3 LYS 91 HB1 LYS 91 104.296 4.904 7.473 748 HG2 LYS 91 HG2 LYS 91 103.195 3.262 8.939 749 HG3 LYS 91 HG1 LYS 91 104.583 2.188 8.789 750 HD2 LYS 91 HD2 LYS 91 104.928 3.234 10.846 751 HD3 LYS 91 HD1 LYS 91 105.964 4.139 9.738 752 HE2 LYS 91 HE2 LYS 91 104.641 5.639 11.235 753 HE3 LYS 91 HE1 LYS 91 104.244 5.895 9.540 754 HZ1 LYS 91 HZ1 LYS 91 102.312 5.642 11.151 755 HZ2 LYS 91 HZ2 LYS 91 102.714 3.994 11.214 756 HZ3 LYS 91 HZ3 LYS 91 102.257 4.705 9.735 757 H VAL 92 HN VAL 92 102.039 1.675 6.864 758 HA VAL 92 HA VAL 92 100.081 3.823 6.306 759 HB VAL 92 HB VAL 92 100.028 1.024 5.159 760 HG11 VAL 92 HG11 VAL 92 97.781 1.517 5.741 761 HG12 VAL 92 HG12 VAL 92 97.913 1.992 4.049 762 HG13 VAL 92 HG13 VAL 92 97.958 3.218 5.316 763 HG21 VAL 92 HG21 VAL 92 100.438 3.806 4.028 764 HG22 VAL 92 HG22 VAL 92 99.829 2.506 3.010 765 HG23 VAL 92 HG23 VAL 92 101.413 2.363 3.765 766 H THR 93 HN THR 93 97.979 3.444 7.213 767 HA THR 93 HA THR 93 97.756 1.328 9.242 768 HB THR 93 HB THR 93 98.788 3.014 10.574 769 HG1 THR 93 HG1 THR 93 96.013 2.836 10.754 770 HG21 THR 93 HG21 THR 93 98.748 4.919 9.162 771 HG22 THR 93 HG22 THR 93 97.790 5.377 10.569 772 HG23 THR 93 HG23 THR 93 96.988 4.914 9.069 773 H ALA 94 HN ALA 94 95.667 0.838 9.709 774 HA ALA 94 HA ALA 94 93.523 2.435 8.444 775 HB1 ALA 94 HB1 ALA 94 92.495 0.225 7.787 776 HB2 ALA 94 HB2 ALA 94 94.011 -0.544 8.238 777 HB3 ALA 94 HB3 ALA 94 93.974 0.617 6.914 778 H GLU 95 HN GLU 95 91.772 2.658 9.749 779 HA GLU 95 HA GLU 95 91.385 0.814 11.981 780 HB2 GLU 95 HB2 GLU 95 91.369 2.702 13.589 781 HB3 GLU 95 HB1 GLU 95 92.945 2.439 12.843 782 HG2 GLU 95 HG2 GLU 95 92.451 4.225 11.177 783 HG3 GLU 95 HG1 GLU 95 90.918 4.543 12.000 784 H ASN 96 HN ASN 96 89.391 0.595 12.641 785 HA ASN 96 HA ASN 96 87.268 2.202 11.378 786 HB2 ASN 96 HB2 ASN 96 85.936 0.280 11.368 787 HB3 ASN 96 HB1 ASN 96 87.535 -0.395 11.095 788 HD21 ASN 96 HD21 ASN 96 88.670 -0.573 13.579 789 HD22 ASN 96 HD22 ASN 96 87.723 -1.535 14.607 790 HA PRO 97 HA PRO 97 86.087 3.672 15.352 791 HB2 PRO 97 HB2 PRO 97 83.340 2.747 15.518 792 HB3 PRO 97 HB1 PRO 97 83.932 4.372 15.136 793 HG2 PRO 97 HG2 PRO 97 82.704 2.622 13.345 794 HG3 PRO 97 HG1 PRO 97 83.677 4.038 12.912 795 HD2 PRO 97 HD2 PRO 97 84.402 1.159 12.808 796 HD3 PRO 97 HD1 PRO 97 85.040 2.517 11.858 797 H GLU 98 HN GLU 98 85.813 0.265 14.931 798 HA GLU 98 HA GLU 98 85.599 -0.162 17.869 799 HB2 GLU 98 HB2 GLU 98 84.953 -1.970 15.543 800 HB3 GLU 98 HB1 GLU 98 84.962 -2.501 17.231 801 HG2 GLU 98 HG2 GLU 98 83.226 -0.873 17.795 802 HG3 GLU 98 HG1 GLU 98 83.287 -0.200 16.169 803 H GLY 99 HN GLY 99 88.019 0.074 15.595 804 HA2 GLY 99 HA2 GLY 99 89.859 -1.276 17.287 805 HA3 GLY 99 HA1 GLY 99 89.539 -2.225 15.841 806 H VAL 100 HN VAL 100 92.033 -1.554 16.171 807 HA VAL 100 HA VAL 100 92.550 0.508 14.115 808 HB VAL 100 HB VAL 100 94.534 1.275 15.424 809 HG11 VAL 100 HG11 VAL 100 93.265 2.402 17.227 810 HG12 VAL 100 HG12 VAL 100 91.892 1.345 16.902 811 HG13 VAL 100 HG13 VAL 100 92.441 2.487 15.673 812 HG21 VAL 100 HG21 VAL 100 94.913 -0.796 16.692 813 HG22 VAL 100 HG22 VAL 100 93.365 -0.590 17.511 814 HG23 VAL 100 HG23 VAL 100 94.672 0.552 17.800 815 H ILE 101 HN ILE 101 94.542 0.229 12.989 816 HA ILE 101 HA ILE 101 95.874 -2.373 13.333 817 HB ILE 101 HB ILE 101 95.055 -1.547 10.545 818 HG12 ILE 101 HG12 ILE 101 93.454 -3.403 12.317 819 HG13 ILE 101 HG11 ILE 101 92.966 -1.749 11.954 820 HG21 ILE 101 HG21 ILE 101 96.784 -3.260 10.879 821 HG22 ILE 101 HG22 ILE 101 95.336 -3.953 10.167 822 HG23 ILE 101 HG23 ILE 101 95.674 -4.198 11.875 823 HD11 ILE 101 HD11 ILE 101 93.464 -3.944 9.922 824 HD12 ILE 101 HD12 ILE 101 93.044 -2.277 9.526 825 HD13 ILE 101 HD13 ILE 101 91.887 -3.301 10.383 826 H GLU 102 HN GLU 102 97.940 -2.488 12.293 827 HA GLU 102 HA GLU 102 99.095 0.075 11.329 828 HB2 GLU 102 HB2 GLU 102 101.089 -0.297 12.704 829 HB3 GLU 102 HB1 GLU 102 99.656 -0.186 13.727 830 HG2 GLU 102 HG2 GLU 102 99.500 -2.675 13.714 831 HG3 GLU 102 HG1 GLU 102 101.027 -2.732 12.837 832 H HIS 103 HN HIS 103 101.343 -0.355 10.315 833 HA HIS 103 HA HIS 103 102.088 -2.916 9.456 834 HB2 HIS 103 HB2 HIS 103 99.925 -1.673 7.914 835 HB3 HIS 103 HB1 HIS 103 101.309 -2.055 6.904 836 HD1 HIS 103 HD1 HIS 103 98.561 -3.637 8.878 837 HD2 HIS 103 HD2 HIS 103 101.902 -4.868 6.742 838 HE1 HIS 103 HE1 HIS 103 98.306 -6.124 8.531 839 H LYS 104 HN LYS 104 104.183 -2.450 9.525 840 HA LYS 104 HA LYS 104 105.152 -0.019 8.099 841 HB2 LYS 104 HB2 LYS 104 105.493 -0.054 10.555 842 HB3 LYS 104 HB1 LYS 104 106.474 -1.507 10.377 843 HG2 LYS 104 HG2 LYS 104 108.037 -0.286 8.912 844 HG3 LYS 104 HG1 LYS 104 107.075 1.182 9.084 845 HD2 LYS 104 HD2 LYS 104 108.271 -0.278 11.458 846 HD3 LYS 104 HD1 LYS 104 109.119 1.003 10.606 847 HE2 LYS 104 HE2 LYS 104 107.086 2.471 11.023 848 HE3 LYS 104 HE1 LYS 104 106.522 1.222 12.137 849 HZ1 LYS 104 HZ1 LYS 104 108.423 3.211 12.585 850 HZ2 LYS 104 HZ2 LYS 104 109.214 1.710 12.666 851 HZ3 LYS 104 HZ3 LYS 104 107.867 2.020 13.650 852 H VAL 105 HN VAL 105 106.267 -0.298 6.349 853 HA VAL 105 HA VAL 105 108.079 -2.589 6.043 854 HB VAL 105 HB VAL 105 105.983 -3.375 5.073 855 HG11 VAL 105 HG11 VAL 105 104.771 -2.220 3.392 856 HG12 VAL 105 HG12 VAL 105 106.067 -1.049 3.134 857 HG13 VAL 105 HG13 VAL 105 105.133 -1.019 4.625 858 HG21 VAL 105 HG21 VAL 105 106.791 -3.504 2.574 859 HG22 VAL 105 HG22 VAL 105 107.742 -4.280 3.837 860 HG23 VAL 105 HG23 VAL 105 108.250 -2.728 3.184 861 H LYS 106 HN LYS 106 109.888 -2.050 4.846 862 HA LYS 106 HA LYS 106 110.081 0.784 4.005 863 HB2 LYS 106 HB2 LYS 106 112.192 -1.233 4.786 864 HB3 LYS 106 HB1 LYS 106 112.563 0.387 4.199 865 HG2 LYS 106 HG2 LYS 106 111.276 1.331 6.087 866 HG3 LYS 106 HG1 LYS 106 110.965 -0.301 6.681 867 HD2 LYS 106 HD2 LYS 106 113.390 -0.688 6.928 868 HD3 LYS 106 HD1 LYS 106 113.710 0.934 6.316 869 HE2 LYS 106 HE2 LYS 106 112.498 1.929 8.194 870 HE3 LYS 106 HE1 LYS 106 112.087 0.333 8.806 871 HZ1 LYS 106 HZ1 LYS 106 114.898 1.118 8.375 872 HZ2 LYS 106 HZ2 LYS 106 114.280 -0.089 9.397 873 HZ3 LYS 106 HZ3 LYS 106 114.095 1.551 9.806 874 H LEU 107 HN LEU 107 110.510 1.353 1.993 875 HA LEU 107 HA LEU 107 111.255 -0.737 0.007 876 HB2 LEU 107 HB2 LEU 107 109.222 1.476 -0.184 877 HB3 LEU 107 HB1 LEU 107 110.010 0.857 -1.629 878 HG LEU 107 HG LEU 107 109.250 -1.439 -1.013 879 HD11 LEU 107 HD11 LEU 107 107.161 -1.172 0.701 880 HD12 LEU 107 HD12 LEU 107 108.247 0.039 1.384 881 HD13 LEU 107 HD13 LEU 107 108.775 -1.635 1.220 882 HD21 LEU 107 HD21 LEU 107 107.059 0.648 -1.218 883 HD22 LEU 107 HD22 LEU 107 106.906 -1.048 -1.652 884 HD23 LEU 107 HD23 LEU 107 107.973 0.008 -2.581 885 H GLU 108 HN GLU 108 113.162 -0.281 -0.928 886 HA GLU 108 HA GLU 108 114.026 2.552 -1.019 887 HB2 GLU 108 HB2 GLU 108 116.355 1.695 -0.845 888 HB3 GLU 108 HB1 GLU 108 115.387 1.378 0.596 889 HG2 GLU 108 HG2 GLU 108 114.902 -0.908 -0.348 890 HG3 GLU 108 HG1 GLU 108 116.085 -0.573 -1.611 891 H ILE 109 HN ILE 109 114.486 3.342 -2.972 892 HA ILE 109 HA ILE 109 114.609 1.434 -5.240 893 HB ILE 109 HB ILE 109 114.114 4.419 -5.292 894 HG12 ILE 109 HG12 ILE 109 112.353 3.000 -4.042 895 HG13 ILE 109 HG11 ILE 109 111.767 4.049 -5.323 896 HG21 ILE 109 HG21 ILE 109 114.729 3.889 -7.472 897 HG22 ILE 109 HG22 ILE 109 112.999 3.566 -7.567 898 HG23 ILE 109 HG23 ILE 109 114.134 2.234 -7.358 899 HD11 ILE 109 HD11 ILE 109 112.423 1.112 -5.760 900 HD12 ILE 109 HD12 ILE 109 111.577 2.196 -6.863 901 HD13 ILE 109 HD13 ILE 109 110.813 1.697 -5.357 902 H GLN 110 HN GLN 110 116.705 0.965 -5.819 903 HA GLN 110 HA GLN 110 118.820 2.918 -5.327 904 HB2 GLN 110 HB2 GLN 110 118.987 0.176 -6.617 905 HB3 GLN 110 HB1 GLN 110 120.341 1.156 -6.057 906 HG2 GLN 110 HG2 GLN 110 119.984 -0.364 -4.308 907 HG3 GLN 110 HG1 GLN 110 119.190 1.108 -3.757 908 HE21 GLN 110 HE21 GLN 110 118.459 -1.993 -5.472 909 HE22 GLN 110 HE22 GLN 110 116.851 -2.084 -4.941 910 H GLN 111 HN GLN 111 119.969 1.382 -7.910 911 HA GLN 111 HA GLN 111 118.665 2.887 -10.025 912 HB2 GLN 111 HB2 GLN 111 120.882 4.019 -10.669 913 HB3 GLN 111 HB1 GLN 111 120.017 4.692 -9.284 914 HG2 GLN 111 HG2 GLN 111 122.401 4.464 -8.743 915 HG3 GLN 111 HG1 GLN 111 121.464 3.354 -7.752 916 HE21 GLN 111 HE21 GLN 111 123.387 3.442 -10.782 917 HE22 GLN 111 HE22 GLN 111 123.880 1.820 -10.689 918 H LEU 112 HN LEU 112 119.561 2.492 -12.162 919 HA LEU 112 HA LEU 112 120.130 -0.247 -12.573 920 HB2 LEU 112 HB2 LEU 112 120.564 0.413 -14.931 921 HB3 LEU 112 HB1 LEU 112 119.040 1.005 -14.286 922 HG LEU 112 HG LEU 112 120.678 3.117 -13.647 923 HD11 LEU 112 HD11 LEU 112 122.498 1.785 -15.043 924 HD12 LEU 112 HD12 LEU 112 122.340 3.527 -15.233 925 HD13 LEU 112 HD13 LEU 112 121.634 2.448 -16.429 926 HD21 LEU 112 HD21 LEU 112 119.279 2.698 -16.307 927 HD22 LEU 112 HD22 LEU 112 119.710 4.258 -15.607 928 HD23 LEU 112 HD23 LEU 112 118.511 3.237 -14.818 929 H GLU 113 HN GLU 113 122.019 -1.368 -12.754 930 HA GLU 113 HA GLU 113 124.382 -0.616 -11.666 931 HB2 GLU 113 HB2 GLU 113 123.884 -2.900 -12.509 932 HB3 GLU 113 HB1 GLU 113 124.185 -2.315 -14.144 933 HG2 GLU 113 HG2 GLU 113 126.484 -1.693 -13.534 934 HG3 GLU 113 HG1 GLU 113 126.194 -2.204 -11.872 935 H HIS 114 HN HIS 114 124.879 1.534 -12.070 936 HA HIS 114 HA HIS 114 125.192 2.686 -14.644 937 HB2 HIS 114 HB2 HIS 114 124.944 3.973 -12.548 938 HB3 HIS 114 HB1 HIS 114 126.553 3.454 -12.056 939 HD1 HIS 114 HD1 HIS 114 124.768 5.752 -14.372 940 HD2 HIS 114 HD2 HIS 114 128.685 4.597 -13.606 941 HE1 HIS 114 HE1 HIS 114 126.257 7.372 -15.634 942 H HIS 115 HN HIS 115 127.493 1.015 -12.501 943 HA HIS 115 HA HIS 115 129.852 1.538 -13.962 944 HB2 HIS 115 HB2 HIS 115 129.097 -0.831 -12.239 945 HB3 HIS 115 HB1 HIS 115 130.731 -0.513 -12.834 946 HD1 HIS 115 HD1 HIS 115 131.446 2.204 -12.288 947 HD2 HIS 115 HD2 HIS 115 128.783 0.253 -9.738 948 HE1 HIS 115 HE1 HIS 115 131.399 3.529 -10.126 949 H HIS 116 HN HIS 116 130.757 0.598 -15.721 950 HA HIS 116 HA HIS 116 129.649 -1.875 -16.811 951 HB2 HIS 116 HB2 HIS 116 129.339 -0.825 -19.061 952 HB3 HIS 116 HB1 HIS 116 128.207 -0.225 -17.846 953 HD1 HIS 116 HD1 HIS 116 130.090 1.085 -20.470 954 HD2 HIS 116 HD2 HIS 116 129.659 2.253 -16.484 955 HE1 HIS 116 HE1 HIS 116 130.834 3.498 -20.349 956 H HIS 117 HN HIS 117 131.903 0.825 -17.284 957 HA HIS 117 HA HIS 117 134.012 -1.132 -17.935 958 HB2 HIS 117 HB2 HIS 117 133.432 1.408 -19.476 959 HB3 HIS 117 HB1 HIS 117 134.843 0.370 -19.713 960 HD1 HIS 117 HD1 HIS 117 133.759 -2.385 -19.750 961 HD2 HIS 117 HD2 HIS 117 131.668 0.772 -21.493 962 HE1 HIS 117 HE1 HIS 117 132.211 -3.425 -21.451 963 H HIS 118 HN HIS 118 133.461 0.279 -15.462 964 HA HIS 118 HA HIS 118 135.138 2.550 -15.167 965 HB2 HIS 118 HB2 HIS 118 133.435 1.944 -13.494 966 HB3 HIS 118 HB1 HIS 118 134.345 0.484 -13.078 967 HD1 HIS 118 HD1 HIS 118 134.669 4.272 -13.032 968 HD2 HIS 118 HD2 HIS 118 136.480 0.938 -11.306 969 HE1 HIS 118 HE1 HIS 118 136.314 5.158 -11.322 970 H HIS 119 HN HIS 119 137.267 2.786 -14.650 971 HA HIS 119 HA HIS 119 138.902 0.519 -13.934 972 HB2 HIS 119 HB2 HIS 119 140.424 0.772 -15.901 973 HB3 HIS 119 HB1 HIS 119 138.827 0.129 -16.298 974 HD1 HIS 119 HD1 HIS 119 137.258 1.581 -17.751 975 HD2 HIS 119 HD2 HIS 119 140.823 3.516 -16.743 976 HE1 HIS 119 HE1 HIS 119 137.331 3.707 -19.130
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