NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597290 | 2mwc | 25308 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 THR 1 HT1 THR 1 56.723 1.113 -2.592 2 H2 THR 1 HT2 THR 1 56.367 -0.267 -3.519 3 H3 THR 1 HT3 THR 1 55.233 0.326 -2.403 4 HA THR 1 HA THR 1 56.164 2.013 -4.636 5 HB THR 1 HB THR 1 55.386 0.080 -5.800 6 HG1 THR 1 HG1 THR 1 52.939 1.374 -5.612 7 HG21 THR 1 HG21 THR 1 54.441 -1.101 -3.854 8 HG22 THR 1 HG22 THR 1 53.291 -1.076 -5.188 9 HG23 THR 1 HG23 THR 1 53.085 0.027 -3.826 10 H ALA 2 HN ALA 2 55.803 3.146 -2.300 11 HA ALA 2 HA ALA 2 53.110 4.358 -2.460 12 HB1 ALA 2 HB1 ALA 2 54.460 3.209 -0.020 13 HB2 ALA 2 HB2 ALA 2 52.829 2.907 -0.618 14 HB3 ALA 2 HB3 ALA 2 53.226 4.463 0.111 15 H LYS 3 HN LYS 3 56.411 4.579 -1.159 16 HA LYS 3 HA LYS 3 56.604 7.334 -1.963 17 HB2 LYS 3 HB2 LYS 3 55.347 7.622 0.131 18 HB3 LYS 3 HB1 LYS 3 56.541 6.658 0.993 19 HG2 LYS 3 HG2 LYS 3 56.979 9.007 1.412 20 HG3 LYS 3 HG1 LYS 3 58.279 8.371 0.414 21 HD2 LYS 3 HD2 LYS 3 57.406 9.417 -1.553 22 HD3 LYS 3 HD1 LYS 3 55.867 9.769 -0.765 23 HE2 LYS 3 HE2 LYS 3 56.928 11.374 0.707 24 HE3 LYS 3 HE1 LYS 3 58.529 10.924 0.120 25 HZ1 LYS 3 HZ1 LYS 3 56.745 11.659 -1.993 26 HZ2 LYS 3 HZ2 LYS 3 58.308 12.227 -1.649 27 HZ3 LYS 3 HZ3 LYS 3 56.960 12.916 -0.874 28 H ASN 4 HN ASN 4 58.683 7.582 -2.629 29 HA ASN 4 HA ASN 4 60.829 6.359 -1.074 30 HB2 ASN 4 HB2 ASN 4 61.897 5.402 -3.029 31 HB3 ASN 4 HB1 ASN 4 60.273 4.735 -2.885 32 HD21 ASN 4 HD21 ASN 4 61.990 5.144 -5.351 33 HD22 ASN 4 HD22 ASN 4 61.030 6.076 -6.395 34 H THR 5 HN THR 5 62.102 8.006 -0.561 35 HA THR 5 HA THR 5 63.010 9.810 -2.681 36 HB THR 5 HB THR 5 61.547 10.898 -0.268 37 HG1 THR 5 HG1 THR 5 60.126 11.600 -2.080 38 HG21 THR 5 HG21 THR 5 63.333 12.363 -1.091 39 HG22 THR 5 HG22 THR 5 61.754 13.044 -1.486 40 HG23 THR 5 HG23 THR 5 62.702 12.233 -2.732 41 H VAL 6 HN VAL 6 65.129 9.601 -2.382 42 HA VAL 6 HA VAL 6 66.368 9.079 0.108 43 HB VAL 6 HB VAL 6 67.361 8.576 -2.132 44 HG11 VAL 6 HG11 VAL 6 68.361 10.292 -3.443 45 HG12 VAL 6 HG12 VAL 6 68.216 11.477 -2.144 46 HG13 VAL 6 HG13 VAL 6 66.776 10.933 -3.007 47 HG21 VAL 6 HG21 VAL 6 69.699 9.328 -1.454 48 HG22 VAL 6 HG22 VAL 6 68.810 8.422 -0.232 49 HG23 VAL 6 HG23 VAL 6 68.944 10.175 -0.106 50 H VAL 7 HN VAL 7 67.153 10.326 1.637 51 HA VAL 7 HA VAL 7 66.686 13.235 1.480 52 HB VAL 7 HB VAL 7 67.275 11.419 3.835 53 HG11 VAL 7 HG11 VAL 7 66.774 14.388 3.573 54 HG12 VAL 7 HG12 VAL 7 68.072 13.565 4.439 55 HG13 VAL 7 HG13 VAL 7 66.427 13.531 5.075 56 HG21 VAL 7 HG21 VAL 7 65.060 11.012 2.873 57 HG22 VAL 7 HG22 VAL 7 64.718 12.742 2.867 58 HG23 VAL 7 HG23 VAL 7 64.887 11.881 4.398 59 H ARG 8 HN ARG 8 69.102 10.773 2.210 60 HA ARG 8 HA ARG 8 71.248 12.716 1.682 61 HB2 ARG 8 HB2 ARG 8 71.512 12.673 3.982 62 HB3 ARG 8 HB1 ARG 8 70.758 11.089 4.139 63 HG2 ARG 8 HG2 ARG 8 72.737 9.958 3.430 64 HG3 ARG 8 HG1 ARG 8 73.484 11.457 2.871 65 HD2 ARG 8 HD2 ARG 8 72.739 10.892 5.762 66 HD3 ARG 8 HD1 ARG 8 74.356 10.661 5.099 67 HE ARG 8 HE ARG 8 73.723 13.262 4.471 68 HH11 ARG 8 HH21 ARG 8 74.131 11.302 7.287 69 HH12 ARG 8 HH22 ARG 8 74.395 12.643 8.353 70 HH21 ARG 8 HH11 ARG 8 73.940 15.034 5.889 71 HH22 ARG 8 HH12 ARG 8 74.287 14.753 7.562 72 H GLY 9 HN GLY 9 72.633 11.970 0.232 73 HA2 GLY 9 HA2 GLY 9 72.480 9.162 -0.593 74 HA3 GLY 9 HA1 GLY 9 73.261 10.478 -1.479 75 H LEU 10 HN LEU 10 74.978 8.679 -1.512 76 HA LEU 10 HA LEU 10 76.446 8.204 0.897 77 HB2 LEU 10 HB2 LEU 10 77.125 7.734 -2.013 78 HB3 LEU 10 HB1 LEU 10 78.083 7.147 -0.654 79 HG LEU 10 HG LEU 10 75.132 6.516 -0.727 80 HD11 LEU 10 HD11 LEU 10 77.255 4.872 -2.136 81 HD12 LEU 10 HD12 LEU 10 76.088 5.890 -2.975 82 HD13 LEU 10 HD13 LEU 10 75.536 4.509 -2.029 83 HD21 LEU 10 HD21 LEU 10 76.536 5.954 1.261 84 HD22 LEU 10 HD22 LEU 10 77.568 4.980 0.214 85 HD23 LEU 10 HD23 LEU 10 75.887 4.515 0.476 86 H GLU 11 HN GLU 11 78.842 8.747 1.012 87 HA GLU 11 HA GLU 11 79.497 11.352 -0.197 88 HB2 GLU 11 HB2 GLU 11 80.168 12.258 1.977 89 HB3 GLU 11 HB1 GLU 11 78.457 11.836 1.991 90 HG2 GLU 11 HG2 GLU 11 79.010 9.676 3.082 91 HG3 GLU 11 HG1 GLU 11 80.711 10.136 3.111 92 H ASN 12 HN ASN 12 81.813 11.929 0.249 93 HA ASN 12 HA ASN 12 83.513 9.821 -0.538 94 HB2 ASN 12 HB2 ASN 12 85.358 11.380 -0.138 95 HB3 ASN 12 HB1 ASN 12 84.033 12.194 -0.966 96 HD21 ASN 12 HD21 ASN 12 85.561 14.002 0.226 97 HD22 ASN 12 HD22 ASN 12 84.946 14.516 1.723 98 H VAL 13 HN VAL 13 85.026 8.602 0.591 99 HA VAL 13 HA VAL 13 84.886 8.715 3.558 100 HB VAL 13 HB VAL 13 84.666 6.267 1.789 101 HG11 VAL 13 HG11 VAL 13 85.440 6.535 4.699 102 HG12 VAL 13 HG12 VAL 13 86.194 5.548 3.448 103 HG13 VAL 13 HG13 VAL 13 84.623 5.084 4.108 104 HG21 VAL 13 HG21 VAL 13 82.963 7.444 4.012 105 HG22 VAL 13 HG22 VAL 13 82.644 5.903 3.216 106 HG23 VAL 13 HG23 VAL 13 82.561 7.408 2.293 107 H GLU 14 HN GLU 14 86.793 8.790 4.522 108 HA GLU 14 HA GLU 14 89.222 8.067 2.972 109 HB2 GLU 14 HB2 GLU 14 89.029 10.500 3.274 110 HB3 GLU 14 HB1 GLU 14 88.887 10.276 5.017 111 HG2 GLU 14 HG2 GLU 14 91.118 9.312 5.126 112 HG3 GLU 14 HG1 GLU 14 91.269 9.370 3.370 113 H ALA 15 HN ALA 15 90.317 6.444 3.803 114 HA ALA 15 HA ALA 15 90.574 6.127 6.702 115 HB1 ALA 15 HB1 ALA 15 89.332 4.068 4.865 116 HB2 ALA 15 HB2 ALA 15 88.640 4.769 6.332 117 HB3 ALA 15 HB3 ALA 15 90.006 3.661 6.444 118 H LEU 16 HN LEU 16 92.585 5.380 7.240 119 HA LEU 16 HA LEU 16 94.514 5.079 5.136 120 HB2 LEU 16 HB2 LEU 16 96.031 4.433 7.156 121 HB3 LEU 16 HB1 LEU 16 95.437 6.084 7.036 122 HG LEU 16 HG LEU 16 93.714 4.128 8.519 123 HD11 LEU 16 HD11 LEU 16 95.043 4.589 10.616 124 HD12 LEU 16 HD12 LEU 16 96.329 5.222 9.588 125 HD13 LEU 16 HD13 LEU 16 95.849 3.530 9.459 126 HD21 LEU 16 HD21 LEU 16 93.408 6.741 8.089 127 HD22 LEU 16 HD22 LEU 16 94.487 6.878 9.476 128 HD23 LEU 16 HD23 LEU 16 92.950 6.028 9.635 129 H GLU 17 HN GLU 17 96.018 3.220 5.048 130 HA GLU 17 HA GLU 17 94.759 0.863 4.352 131 HB2 GLU 17 HB2 GLU 17 96.964 -0.183 4.410 132 HB3 GLU 17 HB1 GLU 17 97.079 1.437 3.727 133 HG2 GLU 17 HG2 GLU 17 97.700 2.274 6.024 134 HG3 GLU 17 HG1 GLU 17 97.787 0.593 6.545 135 H GLY 18 HN GLY 18 94.308 -1.047 5.315 136 HA2 GLY 18 HA2 GLY 18 93.923 -2.602 6.938 137 HA3 GLY 18 HA1 GLY 18 95.104 -1.777 7.947 138 H GLY 19 HN GLY 19 92.430 0.029 6.666 139 HA2 GLY 19 HA2 GLY 19 91.272 0.219 9.393 140 HA3 GLY 19 HA1 GLY 19 91.162 1.462 8.151 141 H GLU 20 HN GLU 20 88.839 1.224 8.886 142 HA GLU 20 HA GLU 20 87.454 -0.821 7.236 143 HB2 GLU 20 HB2 GLU 20 85.524 -0.356 8.935 144 HB3 GLU 20 HB1 GLU 20 86.843 -1.420 9.422 145 HG2 GLU 20 HG2 GLU 20 86.959 1.545 9.976 146 HG3 GLU 20 HG1 GLU 20 86.115 0.449 11.068 147 H ALA 21 HN ALA 21 85.206 -0.037 6.616 148 HA ALA 21 HA ALA 21 85.131 2.910 6.227 149 HB1 ALA 21 HB1 ALA 21 84.454 2.658 3.894 150 HB2 ALA 21 HB2 ALA 21 84.627 0.910 4.011 151 HB3 ALA 21 HB3 ALA 21 86.044 1.945 4.144 152 H LEU 22 HN LEU 22 83.151 3.817 6.380 153 HA LEU 22 HA LEU 22 80.831 1.996 6.607 154 HB2 LEU 22 HB2 LEU 22 81.223 4.426 8.349 155 HB3 LEU 22 HB1 LEU 22 80.044 3.131 8.534 156 HG LEU 22 HG LEU 22 82.331 1.649 8.636 157 HD11 LEU 22 HD11 LEU 22 83.732 3.727 8.428 158 HD12 LEU 22 HD12 LEU 22 84.050 2.802 9.895 159 HD13 LEU 22 HD13 LEU 22 83.073 4.268 9.971 160 HD21 LEU 22 HD21 LEU 22 80.913 3.131 10.863 161 HD22 LEU 22 HD22 LEU 22 82.164 1.927 11.176 162 HD23 LEU 22 HD23 LEU 22 80.681 1.460 10.348 163 H PHE 23 HN PHE 23 79.340 2.459 5.156 164 HA PHE 23 HA PHE 23 79.028 5.262 4.229 165 HB2 PHE 23 HB2 PHE 23 78.617 2.594 2.881 166 HB3 PHE 23 HB1 PHE 23 77.878 4.062 2.262 167 HD1 PHE 23 HD1 PHE 23 79.292 5.955 1.477 168 HD2 PHE 23 HD2 PHE 23 80.989 2.195 2.678 169 HE1 PHE 23 HE1 PHE 23 81.417 6.551 0.344 170 HE2 PHE 23 HE2 PHE 23 83.112 2.790 1.541 171 HZ PHE 23 HZ PHE 23 83.325 4.967 0.376 172 H GLU 24 HN GLU 24 77.395 6.103 5.462 173 HA GLU 24 HA GLU 24 74.974 4.460 5.915 174 HB2 GLU 24 HB2 GLU 24 76.015 6.951 7.274 175 HB3 GLU 24 HB1 GLU 24 74.426 6.254 7.597 176 HG2 GLU 24 HG2 GLU 24 75.444 4.146 8.277 177 HG3 GLU 24 HG1 GLU 24 77.046 4.752 7.862 178 H CYS 25 HN CYS 25 73.334 4.740 4.645 179 HA CYS 25 HA CYS 25 72.790 7.391 3.402 180 HB2 CYS 25 HB2 CYS 25 73.427 5.532 1.804 181 HB3 CYS 25 HB1 CYS 25 71.984 4.671 2.339 182 HG CYS 25 HG CYS 25 70.668 6.083 0.805 183 H GLN 26 HN GLN 26 70.928 8.286 3.941 184 HA GLN 26 HA GLN 26 68.902 6.665 5.382 185 HB2 GLN 26 HB2 GLN 26 69.791 8.308 6.853 186 HB3 GLN 26 HB1 GLN 26 69.786 9.547 5.603 187 HG2 GLN 26 HG2 GLN 26 67.384 9.658 5.623 188 HG3 GLN 26 HG1 GLN 26 67.278 8.259 6.693 189 HE21 GLN 26 HE21 GLN 26 66.228 10.955 7.278 190 HE22 GLN 26 HE22 GLN 26 67.060 11.513 8.648 191 H LEU 27 HN LEU 27 67.148 6.231 4.166 192 HA LEU 27 HA LEU 27 66.143 8.341 2.350 193 HB2 LEU 27 HB2 LEU 27 65.397 6.316 0.860 194 HB3 LEU 27 HB1 LEU 27 67.036 6.936 0.732 195 HG LEU 27 HG LEU 27 66.915 4.448 0.821 196 HD11 LEU 27 HD11 LEU 27 68.770 6.082 2.036 197 HD12 LEU 27 HD12 LEU 27 68.934 4.341 1.841 198 HD13 LEU 27 HD13 LEU 27 68.332 4.999 3.358 199 HD21 LEU 27 HD21 LEU 27 66.126 3.267 2.685 200 HD22 LEU 27 HD22 LEU 27 64.939 4.559 2.513 201 HD23 LEU 27 HD23 LEU 27 66.209 4.677 3.739 202 H SER 28 HN SER 28 63.922 8.342 1.955 203 HA SER 28 HA SER 28 62.335 7.238 4.162 204 HB2 SER 28 HB2 SER 28 62.153 9.659 3.512 205 HB3 SER 28 HB1 SER 28 61.485 9.142 1.967 206 HG SER 28 HG SER 28 60.412 8.182 4.386 207 H GLN 29 HN GLN 29 62.035 5.102 3.641 208 HA GLN 29 HA GLN 29 59.978 4.472 1.799 209 HB2 GLN 29 HB2 GLN 29 61.755 4.751 0.150 210 HB3 GLN 29 HB1 GLN 29 62.789 3.654 1.041 211 HG2 GLN 29 HG2 GLN 29 61.494 2.741 -1.022 212 HG3 GLN 29 HG1 GLN 29 61.539 1.771 0.442 213 HE21 GLN 29 HE21 GLN 29 59.440 3.056 -1.899 214 HE22 GLN 29 HE22 GLN 29 57.986 2.891 -1.039 215 HA PRO 30 HA PRO 30 60.800 1.355 5.112 216 HB2 PRO 30 HB2 PRO 30 57.980 1.430 5.811 217 HB3 PRO 30 HB1 PRO 30 59.357 1.990 6.769 218 HG2 PRO 30 HG2 PRO 30 57.429 3.628 5.621 219 HG3 PRO 30 HG1 PRO 30 59.028 4.154 6.171 220 HD2 PRO 30 HD2 PRO 30 58.080 3.616 3.384 221 HD3 PRO 30 HD1 PRO 30 59.300 4.776 3.967 222 H GLU 31 HN GLU 31 60.467 0.830 2.349 223 HA GLU 31 HA GLU 31 59.083 -1.742 2.472 224 HB2 GLU 31 HB2 GLU 31 57.383 -0.125 1.642 225 HB3 GLU 31 HB1 GLU 31 58.472 0.314 0.328 226 HG2 GLU 31 HG2 GLU 31 58.433 -1.978 -0.517 227 HG3 GLU 31 HG1 GLU 31 57.429 -2.485 0.840 228 H VAL 32 HN VAL 32 59.770 -3.173 0.784 229 HA VAL 32 HA VAL 32 62.197 -2.302 -0.684 230 HB VAL 32 HB VAL 32 61.760 -4.900 0.817 231 HG11 VAL 32 HG11 VAL 32 63.004 -5.347 -1.225 232 HG12 VAL 32 HG12 VAL 32 64.139 -5.340 0.129 233 HG13 VAL 32 HG13 VAL 32 64.036 -3.944 -0.946 234 HG21 VAL 32 HG21 VAL 32 63.685 -2.590 1.208 235 HG22 VAL 32 HG22 VAL 32 63.721 -4.096 2.122 236 HG23 VAL 32 HG23 VAL 32 62.339 -3.009 2.270 237 H ALA 33 HN ALA 33 61.652 -2.312 -2.743 238 HA ALA 33 HA ALA 33 59.901 -4.469 -3.796 239 HB1 ALA 33 HB1 ALA 33 59.464 -2.848 -5.669 240 HB2 ALA 33 HB2 ALA 33 60.351 -1.633 -4.747 241 HB3 ALA 33 HB3 ALA 33 58.865 -2.322 -4.096 242 H ALA 34 HN ALA 34 62.820 -2.555 -4.386 243 HA ALA 34 HA ALA 34 64.153 -4.723 -5.644 244 HB1 ALA 34 HB1 ALA 34 63.439 -2.456 -7.512 245 HB2 ALA 34 HB2 ALA 34 62.564 -3.987 -7.476 246 HB3 ALA 34 HB3 ALA 34 64.273 -3.959 -7.908 247 H HIS 35 HN HIS 35 66.101 -4.379 -4.744 248 HA HIS 35 HA HIS 35 67.334 -1.699 -5.023 249 HB2 HIS 35 HB2 HIS 35 67.289 -3.411 -2.524 250 HB3 HIS 35 HB1 HIS 35 68.270 -1.961 -2.734 251 HD1 HIS 35 HD1 HIS 35 64.582 -2.813 -3.308 252 HD2 HIS 35 HD2 HIS 35 66.945 0.197 -1.653 253 HE1 HIS 35 HE1 HIS 35 62.991 -1.030 -2.470 254 H THR 36 HN THR 36 69.315 -1.787 -5.880 255 HA THR 36 HA THR 36 70.829 -4.347 -5.720 256 HB THR 36 HB THR 36 70.615 -2.463 -8.084 257 HG1 THR 36 HG1 THR 36 69.137 -3.792 -8.716 258 HG21 THR 36 HG21 THR 36 72.825 -3.307 -8.126 259 HG22 THR 36 HG22 THR 36 71.922 -4.413 -9.162 260 HG23 THR 36 HG23 THR 36 72.326 -4.883 -7.511 261 H TRP 37 HN TRP 37 72.842 -4.165 -4.952 262 HA TRP 37 HA TRP 37 74.088 -1.466 -4.843 263 HB2 TRP 37 HB2 TRP 37 73.144 -2.463 -2.650 264 HB3 TRP 37 HB1 TRP 37 74.490 -3.585 -2.735 265 HD1 TRP 37 HD1 TRP 37 76.357 -1.057 -4.085 266 HE1 TRP 37 HE1 TRP 37 77.391 0.571 -2.395 267 HE3 TRP 37 HE3 TRP 37 73.419 -2.018 -0.021 268 HZ2 TRP 37 HZ2 TRP 37 77.032 1.376 0.321 269 HZ3 TRP 37 HZ3 TRP 37 73.787 -0.801 2.103 270 HH2 TRP 37 HH2 TRP 37 75.584 0.900 2.283 271 H LEU 38 HN LEU 38 75.632 -1.541 -6.322 272 HA LEU 38 HA LEU 38 77.625 -3.736 -6.181 273 HB2 LEU 38 HB2 LEU 38 76.578 -2.394 -8.687 274 HB3 LEU 38 HB1 LEU 38 77.909 -3.549 -8.631 275 HG LEU 38 HG LEU 38 75.076 -4.127 -7.704 276 HD11 LEU 38 HD11 LEU 38 76.508 -5.107 -10.192 277 HD12 LEU 38 HD12 LEU 38 75.354 -3.776 -10.188 278 HD13 LEU 38 HD13 LEU 38 74.826 -5.400 -9.751 279 HD21 LEU 38 HD21 LEU 38 76.411 -5.654 -6.523 280 HD22 LEU 38 HD22 LEU 38 77.645 -5.713 -7.781 281 HD23 LEU 38 HD23 LEU 38 76.113 -6.555 -8.006 282 H LEU 39 HN LEU 39 79.389 -2.895 -5.402 283 HA LEU 39 HA LEU 39 80.130 -0.107 -5.942 284 HB2 LEU 39 HB2 LEU 39 82.150 -1.164 -4.346 285 HB3 LEU 39 HB1 LEU 39 80.736 -0.350 -3.726 286 HG LEU 39 HG LEU 39 79.565 -2.576 -3.655 287 HD11 LEU 39 HD11 LEU 39 82.387 -3.555 -4.194 288 HD12 LEU 39 HD12 LEU 39 80.996 -3.776 -5.255 289 HD13 LEU 39 HD13 LEU 39 81.050 -4.580 -3.690 290 HD21 LEU 39 HD21 LEU 39 80.319 -1.765 -1.578 291 HD22 LEU 39 HD22 LEU 39 82.019 -1.980 -2.006 292 HD23 LEU 39 HD23 LEU 39 81.008 -3.383 -1.669 293 H ASP 40 HN ASP 40 82.723 -2.312 -5.480 294 HA ASP 40 HA ASP 40 83.720 -1.883 -8.094 295 HB2 ASP 40 HB2 ASP 40 85.132 -2.593 -6.109 296 HB3 ASP 40 HB1 ASP 40 84.377 -4.182 -6.208 297 H ASP 41 HN ASP 41 83.930 -3.811 -9.600 298 HA ASP 41 HA ASP 41 81.376 -4.701 -10.336 299 HB2 ASP 41 HB2 ASP 41 84.134 -5.565 -11.205 300 HB3 ASP 41 HB1 ASP 41 82.662 -6.206 -11.933 301 H GLU 42 HN GLU 42 82.000 -5.578 -7.586 302 HA GLU 42 HA GLU 42 81.631 -8.495 -7.993 303 HB2 GLU 42 HB2 GLU 42 83.366 -7.068 -5.983 304 HB3 GLU 42 HB1 GLU 42 82.715 -8.668 -5.623 305 HG2 GLU 42 HG2 GLU 42 84.936 -8.889 -6.627 306 HG3 GLU 42 HG1 GLU 42 83.720 -9.519 -7.737 307 HA PRO 43 HA PRO 43 77.825 -7.630 -5.850 308 HB2 PRO 43 HB2 PRO 43 77.754 -10.222 -4.531 309 HB3 PRO 43 HB1 PRO 43 76.763 -9.655 -5.883 310 HG2 PRO 43 HG2 PRO 43 78.928 -11.526 -5.953 311 HG3 PRO 43 HG1 PRO 43 77.938 -10.952 -7.300 312 HD2 PRO 43 HD2 PRO 43 80.691 -10.317 -6.771 313 HD3 PRO 43 HD1 PRO 43 79.667 -9.690 -8.077 314 H VAL 44 HN VAL 44 77.565 -6.573 -3.930 315 HA VAL 44 HA VAL 44 79.766 -6.725 -2.040 316 HB VAL 44 HB VAL 44 78.944 -4.575 -2.759 317 HG11 VAL 44 HG11 VAL 44 76.458 -5.573 -2.824 318 HG12 VAL 44 HG12 VAL 44 76.765 -3.849 -2.619 319 HG13 VAL 44 HG13 VAL 44 76.403 -4.845 -1.221 320 HG21 VAL 44 HG21 VAL 44 78.900 -3.542 -0.615 321 HG22 VAL 44 HG22 VAL 44 79.865 -5.004 -0.427 322 HG23 VAL 44 HG23 VAL 44 78.196 -4.969 0.137 323 H ARG 45 HN ARG 45 79.427 -8.756 -1.227 324 HA ARG 45 HA ARG 45 77.729 -8.782 1.123 325 HB2 ARG 45 HB2 ARG 45 76.317 -9.898 -0.582 326 HB3 ARG 45 HB1 ARG 45 77.626 -11.037 -0.903 327 HG2 ARG 45 HG2 ARG 45 77.519 -11.919 1.327 328 HG3 ARG 45 HG1 ARG 45 76.433 -10.631 1.846 329 HD2 ARG 45 HD2 ARG 45 74.684 -11.436 0.419 330 HD3 ARG 45 HD1 ARG 45 75.751 -12.630 -0.316 331 HE ARG 45 HE ARG 45 75.709 -13.110 2.448 332 HH11 ARG 45 HH21 ARG 45 74.724 -14.694 -0.179 333 HH12 ARG 45 HH22 ARG 45 73.197 -15.255 0.419 334 HH21 ARG 45 HH11 ARG 45 73.217 -13.169 3.190 335 HH22 ARG 45 HH12 ARG 45 72.346 -14.388 2.324 336 H THR 46 HN THR 46 79.318 -11.451 -0.499 337 HA THR 46 HA THR 46 81.147 -12.719 0.073 338 HB THR 46 HB THR 46 83.141 -11.521 0.183 339 HG1 THR 46 HG1 THR 46 83.362 -9.622 1.338 340 HG21 THR 46 HG21 THR 46 81.389 -9.194 -0.571 341 HG22 THR 46 HG22 THR 46 81.460 -10.627 -1.596 342 HG23 THR 46 HG23 THR 46 82.924 -9.699 -1.274 343 H SER 47 HN SER 47 82.746 -11.306 2.588 344 HA SER 47 HA SER 47 81.081 -12.584 4.684 345 HB2 SER 47 HB2 SER 47 84.049 -12.965 4.262 346 HB3 SER 47 HB1 SER 47 83.097 -13.646 5.580 347 HG SER 47 HG SER 47 82.026 -14.117 3.110 348 H GLU 48 HN GLU 48 83.431 -12.177 6.563 349 HA GLU 48 HA GLU 48 82.616 -9.765 7.696 350 HB2 GLU 48 HB2 GLU 48 85.222 -11.263 8.005 351 HB3 GLU 48 HB1 GLU 48 84.763 -9.882 9.002 352 HG2 GLU 48 HG2 GLU 48 83.103 -12.403 8.723 353 HG3 GLU 48 HG1 GLU 48 84.216 -12.092 10.052 354 H ASN 49 HN ASN 49 85.413 -10.350 5.573 355 HA ASN 49 HA ASN 49 86.542 -7.781 5.745 356 HB2 ASN 49 HB2 ASN 49 87.726 -9.678 4.768 357 HB3 ASN 49 HB1 ASN 49 86.577 -9.726 3.432 358 HD21 ASN 49 HD21 ASN 49 88.951 -7.509 4.991 359 HD22 ASN 49 HD22 ASN 49 89.350 -6.697 3.555 360 H ALA 50 HN ALA 50 83.517 -8.444 4.749 361 HA ALA 50 HA ALA 50 82.849 -5.930 3.798 362 HB1 ALA 50 HB1 ALA 50 84.091 -6.131 1.807 363 HB2 ALA 50 HB2 ALA 50 82.481 -6.647 1.311 364 HB3 ALA 50 HB3 ALA 50 83.728 -7.850 1.649 365 H GLU 51 HN GLU 51 80.624 -5.846 3.928 366 HA GLU 51 HA GLU 51 78.849 -7.810 2.985 367 HB2 GLU 51 HB2 GLU 51 79.772 -9.228 4.799 368 HB3 GLU 51 HB1 GLU 51 79.340 -7.990 5.974 369 HG2 GLU 51 HG2 GLU 51 76.978 -8.249 5.437 370 HG3 GLU 51 HG1 GLU 51 77.363 -9.390 4.152 371 H VAL 52 HN VAL 52 76.620 -7.037 3.126 372 HA VAL 52 HA VAL 52 76.443 -4.345 4.237 373 HB VAL 52 HB VAL 52 74.308 -5.883 2.755 374 HG11 VAL 52 HG11 VAL 52 73.623 -3.814 3.879 375 HG12 VAL 52 HG12 VAL 52 73.601 -3.597 2.128 376 HG13 VAL 52 HG13 VAL 52 74.927 -2.933 3.084 377 HG21 VAL 52 HG21 VAL 52 76.355 -4.052 1.475 378 HG22 VAL 52 HG22 VAL 52 75.160 -5.082 0.687 379 HG23 VAL 52 HG23 VAL 52 76.534 -5.807 1.506 380 H VAL 53 HN VAL 53 75.080 -3.731 5.781 381 HA VAL 53 HA VAL 53 73.225 -5.616 7.039 382 HB VAL 53 HB VAL 53 74.087 -4.764 9.320 383 HG11 VAL 53 HG11 VAL 53 74.382 -7.071 8.747 384 HG12 VAL 53 HG12 VAL 53 75.958 -6.496 9.298 385 HG13 VAL 53 HG13 VAL 53 75.641 -6.685 7.573 386 HG21 VAL 53 HG21 VAL 53 75.548 -2.997 8.354 387 HG22 VAL 53 HG22 VAL 53 76.542 -4.250 7.612 388 HG23 VAL 53 HG23 VAL 53 76.452 -4.119 9.370 389 H PHE 54 HN PHE 54 71.474 -4.506 8.061 390 HA PHE 54 HA PHE 54 71.549 -1.616 8.236 391 HB2 PHE 54 HB2 PHE 54 69.798 -1.171 6.615 392 HB3 PHE 54 HB1 PHE 54 71.142 -1.985 5.824 393 HD1 PHE 54 HD1 PHE 54 67.726 -2.471 7.198 394 HD2 PHE 54 HD2 PHE 54 70.891 -4.140 4.819 395 HE1 PHE 54 HE1 PHE 54 66.174 -4.216 6.357 396 HE2 PHE 54 HE2 PHE 54 69.344 -5.891 3.986 397 HZ PHE 54 HZ PHE 54 66.981 -5.923 4.744 398 H PHE 55 HN PHE 55 69.680 -0.696 9.234 399 HA PHE 55 HA PHE 55 67.871 -2.663 10.528 400 HB2 PHE 55 HB2 PHE 55 68.958 -0.238 11.956 401 HB3 PHE 55 HB1 PHE 55 68.174 -1.665 12.640 402 HD1 PHE 55 HD1 PHE 55 71.265 -0.350 11.114 403 HD2 PHE 55 HD2 PHE 55 69.397 -3.750 12.963 404 HE1 PHE 55 HE1 PHE 55 73.479 -1.437 11.350 405 HE2 PHE 55 HE2 PHE 55 71.616 -4.837 13.196 406 HZ PHE 55 HZ PHE 55 73.657 -3.678 12.387 407 H GLU 56 HN GLU 56 66.246 -1.104 11.911 408 HA GLU 56 HA GLU 56 64.371 0.188 11.753 409 HB2 GLU 56 HB2 GLU 56 66.196 1.865 10.017 410 HB3 GLU 56 HB1 GLU 56 64.601 2.370 10.568 411 HG2 GLU 56 HG2 GLU 56 66.817 1.507 12.437 412 HG3 GLU 56 HG1 GLU 56 66.491 3.187 12.015 413 H ASN 57 HN ASN 57 64.879 -1.980 9.869 414 HA ASN 57 HA ASN 57 63.767 -3.029 8.165 415 HB2 ASN 57 HB2 ASN 57 61.939 -0.622 8.125 416 HB3 ASN 57 HB1 ASN 57 61.616 -2.214 7.452 417 HD21 ASN 57 HD21 ASN 57 60.981 -0.329 10.140 418 HD22 ASN 57 HD22 ASN 57 60.686 -1.567 11.266 419 H GLY 58 HN GLY 58 66.041 -1.319 7.557 420 HA2 GLY 58 HA2 GLY 58 67.123 -0.982 5.516 421 HA3 GLY 58 HA1 GLY 58 65.582 -1.116 4.690 422 H LEU 59 HN LEU 59 65.530 1.084 7.326 423 HA LEU 59 HA LEU 59 65.309 3.314 5.456 424 HB2 LEU 59 HB2 LEU 59 65.021 3.176 8.460 425 HB3 LEU 59 HB1 LEU 59 64.780 4.635 7.507 426 HG LEU 59 HG LEU 59 63.237 2.052 7.105 427 HD11 LEU 59 HD11 LEU 59 62.549 4.595 8.596 428 HD12 LEU 59 HD12 LEU 59 62.612 2.958 9.243 429 HD13 LEU 59 HD13 LEU 59 61.342 3.408 8.104 430 HD21 LEU 59 HD21 LEU 59 63.204 4.766 5.790 431 HD22 LEU 59 HD22 LEU 59 61.692 3.871 5.930 432 HD23 LEU 59 HD23 LEU 59 63.048 3.168 5.059 433 H ARG 60 HN ARG 60 67.711 1.822 7.358 434 HA ARG 60 HA ARG 60 69.566 4.070 6.830 435 HB2 ARG 60 HB2 ARG 60 69.271 2.521 9.414 436 HB3 ARG 60 HB1 ARG 60 70.669 3.525 9.029 437 HG2 ARG 60 HG2 ARG 60 69.224 5.489 8.786 438 HG3 ARG 60 HG1 ARG 60 67.798 4.502 9.108 439 HD2 ARG 60 HD2 ARG 60 68.735 3.935 11.343 440 HD3 ARG 60 HD1 ARG 60 70.099 5.005 11.021 441 HE ARG 60 HE ARG 60 67.368 5.809 11.654 442 HH11 ARG 60 HH21 ARG 60 70.579 6.706 11.829 443 HH12 ARG 60 HH22 ARG 60 70.330 8.387 11.494 444 HH21 ARG 60 HH11 ARG 60 67.003 7.992 10.602 445 HH22 ARG 60 HH12 ARG 60 68.306 9.113 10.800 446 H HIS 61 HN HIS 61 70.395 2.951 5.062 447 HA HIS 61 HA HIS 61 71.365 0.241 5.313 448 HB2 HIS 61 HB2 HIS 61 71.499 2.313 3.129 449 HB3 HIS 61 HB1 HIS 61 72.304 0.755 2.990 450 HD1 HIS 61 HD1 HIS 61 68.970 2.368 2.798 451 HD2 HIS 61 HD2 HIS 61 70.479 -1.515 2.979 452 HE1 HIS 61 HE1 HIS 61 67.071 0.828 2.127 453 H LEU 62 HN LEU 62 73.195 -0.241 6.364 454 HA LEU 62 HA LEU 62 75.497 1.631 6.207 455 HB2 LEU 62 HB2 LEU 62 74.331 1.397 8.431 456 HB3 LEU 62 HB1 LEU 62 74.806 -0.292 8.447 457 HG LEU 62 HG LEU 62 76.891 1.867 8.058 458 HD11 LEU 62 HD11 LEU 62 77.217 2.048 10.447 459 HD12 LEU 62 HD12 LEU 62 75.992 0.820 10.759 460 HD13 LEU 62 HD13 LEU 62 75.520 2.396 10.120 461 HD21 LEU 62 HD21 LEU 62 78.198 0.058 9.429 462 HD22 LEU 62 HD22 LEU 62 77.849 -0.270 7.740 463 HD23 LEU 62 HD23 LEU 62 76.866 -1.011 9.000 464 H LEU 63 HN LEU 63 77.241 0.817 5.194 465 HA LEU 63 HA LEU 63 77.555 -2.134 4.936 466 HB2 LEU 63 HB2 LEU 63 77.226 -1.224 2.760 467 HB3 LEU 63 HB1 LEU 63 78.269 0.153 3.092 468 HG LEU 63 HG LEU 63 80.245 -1.306 3.133 469 HD11 LEU 63 HD11 LEU 63 79.459 -3.354 4.034 470 HD12 LEU 63 HD12 LEU 63 79.833 -3.741 2.356 471 HD13 LEU 63 HD13 LEU 63 78.160 -3.476 2.849 472 HD21 LEU 63 HD21 LEU 63 78.417 -1.705 0.751 473 HD22 LEU 63 HD22 LEU 63 80.131 -2.125 0.757 474 HD23 LEU 63 HD23 LEU 63 79.635 -0.445 0.963 475 H LEU 64 HN LEU 64 79.260 -2.977 6.130 476 HA LEU 64 HA LEU 64 81.457 -1.134 6.846 477 HB2 LEU 64 HB2 LEU 64 80.102 -2.062 8.707 478 HB3 LEU 64 HB1 LEU 64 80.530 -3.685 8.186 479 HG LEU 64 HG LEU 64 82.951 -3.101 8.525 480 HD11 LEU 64 HD11 LEU 64 83.118 -0.763 8.401 481 HD12 LEU 64 HD12 LEU 64 83.215 -1.045 10.136 482 HD13 LEU 64 HD13 LEU 64 81.699 -0.506 9.415 483 HD21 LEU 64 HD21 LEU 64 81.024 -2.866 10.849 484 HD22 LEU 64 HD22 LEU 64 82.765 -3.061 11.054 485 HD23 LEU 64 HD23 LEU 64 81.825 -4.322 10.260 486 H LEU 65 HN LEU 65 83.425 -1.516 6.102 487 HA LEU 65 HA LEU 65 84.078 -4.170 4.934 488 HB2 LEU 65 HB2 LEU 65 84.858 -1.373 4.147 489 HB3 LEU 65 HB1 LEU 65 85.958 -2.700 3.802 490 HG LEU 65 HG LEU 65 84.101 -3.882 2.617 491 HD11 LEU 65 HD11 LEU 65 82.622 -1.379 3.418 492 HD12 LEU 65 HD12 LEU 65 82.094 -3.059 3.510 493 HD13 LEU 65 HD13 LEU 65 82.163 -2.244 1.950 494 HD21 LEU 65 HD21 LEU 65 84.850 -1.094 1.692 495 HD22 LEU 65 HD22 LEU 65 84.018 -2.263 0.665 496 HD23 LEU 65 HD23 LEU 65 85.639 -2.612 1.263 497 H LYS 66 HN LYS 66 86.784 -4.211 4.975 498 HA LYS 66 HA LYS 66 87.855 -3.160 7.423 499 HB2 LYS 66 HB2 LYS 66 87.290 -6.123 7.220 500 HB3 LYS 66 HB1 LYS 66 88.472 -5.445 8.336 501 HG2 LYS 66 HG2 LYS 66 86.582 -3.952 9.208 502 HG3 LYS 66 HG1 LYS 66 85.483 -4.983 8.292 503 HD2 LYS 66 HD2 LYS 66 87.446 -6.018 10.360 504 HD3 LYS 66 HD1 LYS 66 85.747 -5.680 10.693 505 HE2 LYS 66 HE2 LYS 66 85.204 -7.269 8.763 506 HE3 LYS 66 HE1 LYS 66 86.896 -7.754 8.822 507 HZ1 LYS 66 HZ1 LYS 66 86.060 -7.815 11.427 508 HZ2 LYS 66 HZ2 LYS 66 86.301 -9.158 10.412 509 HZ3 LYS 66 HZ3 LYS 66 84.755 -8.468 10.563 510 H ASN 67 HN ASN 67 90.088 -4.293 7.804 511 HA ASN 67 HA ASN 67 92.256 -4.163 6.889 512 HB2 ASN 67 HB2 ASN 67 91.567 -6.574 7.060 513 HB3 ASN 67 HB1 ASN 67 91.155 -6.510 5.347 514 HD21 ASN 67 HD21 ASN 67 92.869 -7.820 4.518 515 HD22 ASN 67 HD22 ASN 67 94.507 -7.405 4.675 516 H LEU 68 HN LEU 68 90.839 -2.254 5.552 517 HA LEU 68 HA LEU 68 90.572 -2.578 2.806 518 HB2 LEU 68 HB2 LEU 68 91.180 -0.087 4.376 519 HB3 LEU 68 HB1 LEU 68 90.704 -0.100 2.681 520 HG LEU 68 HG LEU 68 89.056 -1.327 4.899 521 HD11 LEU 68 HD11 LEU 68 89.381 1.244 4.935 522 HD12 LEU 68 HD12 LEU 68 87.739 0.619 4.951 523 HD13 LEU 68 HD13 LEU 68 88.420 1.244 3.456 524 HD21 LEU 68 HD21 LEU 68 88.289 -2.370 2.959 525 HD22 LEU 68 HD22 LEU 68 88.710 -1.003 1.926 526 HD23 LEU 68 HD23 LEU 68 87.280 -0.928 2.951 527 H ARG 69 HN ARG 69 92.001 -3.148 1.365 528 HA ARG 69 HA ARG 69 94.824 -2.403 1.633 529 HB2 ARG 69 HB2 ARG 69 94.684 -3.683 -0.788 530 HB3 ARG 69 HB1 ARG 69 94.894 -4.534 0.737 531 HG2 ARG 69 HG2 ARG 69 92.107 -3.897 -0.233 532 HG3 ARG 69 HG1 ARG 69 92.979 -5.250 -0.937 533 HD2 ARG 69 HD2 ARG 69 93.144 -5.265 1.998 534 HD3 ARG 69 HD1 ARG 69 91.487 -5.354 1.415 535 HE ARG 69 HE ARG 69 92.536 -7.213 -0.119 536 HH11 ARG 69 HH11 ARG 69 91.338 -8.038 2.543 537 HH12 ARG 69 HH12 ARG 69 92.616 -8.987 3.227 538 HH21 ARG 69 HH21 ARG 69 95.032 -7.792 1.048 539 HH22 ARG 69 HH22 ARG 69 94.708 -8.849 2.381 540 HA PRO 70 HA PRO 70 94.687 1.132 -0.996 541 HB2 PRO 70 HB2 PRO 70 96.592 0.252 -2.989 542 HB3 PRO 70 HB1 PRO 70 96.885 1.336 -1.622 543 HG2 PRO 70 HG2 PRO 70 97.574 -1.491 -1.917 544 HG3 PRO 70 HG1 PRO 70 98.181 -0.308 -0.754 545 HD2 PRO 70 HD2 PRO 70 96.467 -2.401 -0.120 546 HD3 PRO 70 HD1 PRO 70 96.649 -0.927 0.851 547 H GLN 71 HN GLN 71 94.844 -1.992 -2.544 548 HA GLN 71 HA GLN 71 93.853 -1.517 -5.059 549 HB2 GLN 71 HB2 GLN 71 94.627 -3.730 -4.196 550 HB3 GLN 71 HB1 GLN 71 93.102 -3.887 -3.331 551 HG2 GLN 71 HG2 GLN 71 92.911 -5.086 -5.434 552 HG3 GLN 71 HG1 GLN 71 91.897 -3.648 -5.531 553 HE21 GLN 71 HE21 GLN 71 92.062 -3.304 -7.813 554 HE22 GLN 71 HE22 GLN 71 93.530 -2.943 -8.586 555 H ASP 72 HN ASP 72 91.901 -2.019 -2.076 556 HA ASP 72 HA ASP 72 89.427 -2.223 -3.069 557 HB2 ASP 72 HB2 ASP 72 88.584 -1.127 -1.075 558 HB3 ASP 72 HB1 ASP 72 89.972 -2.133 -0.665 559 H SER 73 HN SER 73 91.292 0.861 -3.054 560 HA SER 73 HA SER 73 89.454 2.757 -3.504 561 HB2 SER 73 HB2 SER 73 91.064 3.961 -4.694 562 HB3 SER 73 HB1 SER 73 92.053 2.802 -3.811 563 HG SER 73 HG SER 73 92.676 2.081 -5.670 564 H CYS 74 HN CYS 74 87.535 2.179 -4.362 565 HA CYS 74 HA CYS 74 87.455 1.708 -7.276 566 HB2 CYS 74 HB2 CYS 74 85.914 -0.126 -7.055 567 HB3 CYS 74 HB1 CYS 74 87.321 -0.490 -6.056 568 HG CYS 74 HG CYS 74 85.771 0.601 -4.034 569 H ARG 75 HN ARG 75 84.720 1.264 -7.452 570 HA ARG 75 HA ARG 75 83.659 3.947 -6.786 571 HB2 ARG 75 HB2 ARG 75 83.737 3.181 -9.186 572 HB3 ARG 75 HB1 ARG 75 82.572 1.930 -8.757 573 HG2 ARG 75 HG2 ARG 75 81.038 3.729 -7.906 574 HG3 ARG 75 HG1 ARG 75 82.182 4.926 -8.517 575 HD2 ARG 75 HD2 ARG 75 80.496 4.624 -10.193 576 HD3 ARG 75 HD1 ARG 75 81.968 3.845 -10.776 577 HE ARG 75 HE ARG 75 80.380 1.953 -9.386 578 HH11 ARG 75 HH11 ARG 75 80.712 3.681 -12.363 579 HH12 ARG 75 HH12 ARG 75 79.715 2.592 -13.268 580 HH21 ARG 75 HH21 ARG 75 78.976 0.584 -10.541 581 HH22 ARG 75 HH22 ARG 75 78.731 0.841 -12.235 582 H VAL 76 HN VAL 76 81.919 4.193 -5.484 583 HA VAL 76 HA VAL 76 80.537 1.754 -4.523 584 HB VAL 76 HB VAL 76 80.605 4.474 -3.195 585 HG11 VAL 76 HG11 VAL 76 79.762 3.159 -1.259 586 HG12 VAL 76 HG12 VAL 76 79.723 1.720 -2.279 587 HG13 VAL 76 HG13 VAL 76 78.662 3.083 -2.637 588 HG21 VAL 76 HG21 VAL 76 82.863 3.476 -3.230 589 HG22 VAL 76 HG22 VAL 76 82.209 1.964 -2.597 590 HG23 VAL 76 HG23 VAL 76 82.182 3.422 -1.604 591 H THR 77 HN THR 77 78.732 1.448 -5.690 592 HA THR 77 HA THR 77 77.020 3.808 -6.276 593 HB THR 77 HB THR 77 77.379 1.315 -7.954 594 HG1 THR 77 HG1 THR 77 78.935 3.360 -7.725 595 HG21 THR 77 HG21 THR 77 76.199 2.978 -9.620 596 HG22 THR 77 HG22 THR 77 75.609 3.734 -8.143 597 HG23 THR 77 HG23 THR 77 75.230 2.045 -8.483 598 H PHE 78 HN PHE 78 75.051 3.748 -5.475 599 HA PHE 78 HA PHE 78 73.806 1.163 -4.711 600 HB2 PHE 78 HB2 PHE 78 74.581 2.406 -2.719 601 HB3 PHE 78 HB1 PHE 78 73.661 3.814 -3.243 602 HD1 PHE 78 HD2 PHE 78 73.107 0.131 -2.715 603 HD2 PHE 78 HD1 PHE 78 71.557 4.112 -2.263 604 HE1 PHE 78 HE2 PHE 78 71.112 -0.780 -1.563 605 HE2 PHE 78 HE1 PHE 78 69.560 3.200 -1.111 606 HZ PHE 78 HZ PHE 78 69.338 0.754 -0.758 607 H LEU 79 HN LEU 79 72.062 0.848 -5.983 608 HA LEU 79 HA LEU 79 70.559 3.212 -6.957 609 HB2 LEU 79 HB2 LEU 79 71.585 2.030 -8.784 610 HB3 LEU 79 HB1 LEU 79 70.965 0.488 -8.200 611 HG LEU 79 HG LEU 79 68.686 1.132 -8.696 612 HD11 LEU 79 HD11 LEU 79 68.535 3.404 -8.102 613 HD12 LEU 79 HD12 LEU 79 68.369 3.433 -9.857 614 HD13 LEU 79 HD13 LEU 79 69.910 3.856 -9.110 615 HD21 LEU 79 HD21 LEU 79 70.547 1.961 -10.936 616 HD22 LEU 79 HD22 LEU 79 68.849 1.527 -11.131 617 HD23 LEU 79 HD23 LEU 79 70.012 0.317 -10.591 618 H ALA 80 HN ALA 80 69.107 3.376 -5.269 619 HA ALA 80 HA ALA 80 67.241 1.108 -4.859 620 HB1 ALA 80 HB1 ALA 80 68.214 1.796 -2.788 621 HB2 ALA 80 HB2 ALA 80 66.571 2.436 -2.809 622 HB3 ALA 80 HB3 ALA 80 67.938 3.499 -3.145 623 H GLY 81 HN GLY 81 65.722 1.374 -6.453 624 HA2 GLY 81 HA2 GLY 81 63.960 2.304 -7.616 625 HA3 GLY 81 HA1 GLY 81 63.646 3.205 -6.138 626 H ASP 82 HN ASP 82 62.923 4.852 -7.802 627 HA ASP 82 HA ASP 82 64.504 6.120 -9.636 628 HB2 ASP 82 HB2 ASP 82 62.072 6.493 -9.233 629 HB3 ASP 82 HB1 ASP 82 62.498 7.485 -7.836 630 H MET 83 HN MET 83 65.768 5.763 -6.758 631 HA MET 83 HA MET 83 67.002 8.461 -6.718 632 HB2 MET 83 HB2 MET 83 66.839 6.765 -4.238 633 HB3 MET 83 HB1 MET 83 67.077 8.502 -4.395 634 HG2 MET 83 HG2 MET 83 64.846 8.645 -3.891 635 HG3 MET 83 HG1 MET 83 64.593 8.190 -5.574 636 HE1 MET 83 HE1 MET 83 64.065 7.325 -1.906 637 HE2 MET 83 HE2 MET 83 65.674 6.678 -2.206 638 HE3 MET 83 HE3 MET 83 64.352 5.581 -1.819 639 H VAL 84 HN VAL 84 69.127 8.485 -6.982 640 HA VAL 84 HA VAL 84 70.649 5.972 -6.566 641 HB VAL 84 HB VAL 84 70.324 6.205 -8.936 642 HG11 VAL 84 HG11 VAL 84 69.730 8.636 -8.875 643 HG12 VAL 84 HG12 VAL 84 70.863 8.223 -10.160 644 HG13 VAL 84 HG13 VAL 84 71.445 9.008 -8.693 645 HG21 VAL 84 HG21 VAL 84 73.077 7.305 -8.310 646 HG22 VAL 84 HG22 VAL 84 72.607 6.314 -9.688 647 HG23 VAL 84 HG23 VAL 84 72.622 5.619 -8.068 648 H THR 85 HN THR 85 72.319 6.171 -5.302 649 HA THR 85 HA THR 85 73.514 8.843 -4.775 650 HB THR 85 HB THR 85 73.545 8.410 -2.484 651 HG1 THR 85 HG1 THR 85 73.354 6.069 -1.845 652 HG21 THR 85 HG21 THR 85 71.323 6.518 -3.302 653 HG22 THR 85 HG22 THR 85 71.166 8.274 -3.318 654 HG23 THR 85 HG23 THR 85 71.451 7.429 -1.798 655 H SER 86 HN SER 86 75.751 8.939 -5.009 656 HA SER 86 HA SER 86 77.285 6.427 -5.065 657 HB2 SER 86 HB2 SER 86 76.556 6.709 -7.382 658 HB3 SER 86 HB1 SER 86 77.176 8.358 -7.396 659 HG SER 86 HG SER 86 78.569 5.909 -7.271 660 H ALA 87 HN ALA 87 79.260 6.650 -4.179 661 HA ALA 87 HA ALA 87 80.530 9.319 -4.125 662 HB1 ALA 87 HB1 ALA 87 79.358 9.102 -2.003 663 HB2 ALA 87 HB2 ALA 87 81.100 8.983 -1.753 664 HB3 ALA 87 HB3 ALA 87 80.107 7.528 -1.730 665 H PHE 88 HN PHE 88 82.758 9.318 -3.835 666 HA PHE 88 HA PHE 88 84.122 7.111 -5.011 667 HB2 PHE 88 HB2 PHE 88 85.112 9.689 -3.780 668 HB3 PHE 88 HB1 PHE 88 86.120 8.564 -4.691 669 HD1 PHE 88 HD2 PHE 88 85.602 8.097 -7.104 670 HD2 PHE 88 HD1 PHE 88 83.582 11.171 -4.885 671 HE1 PHE 88 HE2 PHE 88 84.816 9.112 -9.224 672 HE2 PHE 88 HE1 PHE 88 82.796 12.183 -7.010 673 HZ PHE 88 HZ PHE 88 83.411 11.154 -9.176 674 H LEU 89 HN LEU 89 85.913 5.988 -4.192 675 HA LEU 89 HA LEU 89 85.938 5.534 -1.253 676 HB2 LEU 89 HB2 LEU 89 85.195 3.635 -2.916 677 HB3 LEU 89 HB1 LEU 89 86.901 3.539 -3.317 678 HG LEU 89 HG LEU 89 86.475 1.886 -1.624 679 HD11 LEU 89 HD11 LEU 89 88.533 3.410 -1.362 680 HD12 LEU 89 HD12 LEU 89 88.057 2.439 0.028 681 HD13 LEU 89 HD13 LEU 89 87.652 4.153 -0.025 682 HD21 LEU 89 HD21 LEU 89 84.355 3.197 -0.809 683 HD22 LEU 89 HD22 LEU 89 85.467 3.934 0.343 684 HD23 LEU 89 HD23 LEU 89 85.238 2.188 0.329 685 H THR 90 HN THR 90 87.840 6.123 -0.300 686 HA THR 90 HA THR 90 90.302 6.171 -1.951 687 HB THR 90 HB THR 90 89.404 8.388 -0.092 688 HG1 THR 90 HG1 THR 90 88.666 9.301 -1.822 689 HG21 THR 90 HG21 THR 90 91.864 8.039 -1.830 690 HG22 THR 90 HG22 THR 90 91.827 8.117 -0.067 691 HG23 THR 90 HG23 THR 90 91.416 9.542 -1.022 692 H VAL 91 HN VAL 91 91.805 4.966 -1.022 693 HA VAL 91 HA VAL 91 92.148 5.099 1.899 694 HB VAL 91 HB VAL 91 91.754 2.551 0.321 695 HG11 VAL 91 HG11 VAL 91 93.118 3.035 2.977 696 HG12 VAL 91 HG12 VAL 91 93.675 2.054 1.622 697 HG13 VAL 91 HG13 VAL 91 92.340 1.499 2.622 698 HG21 VAL 91 HG21 VAL 91 90.513 3.624 2.877 699 HG22 VAL 91 HG22 VAL 91 90.079 2.120 2.066 700 HG23 VAL 91 HG23 VAL 91 89.751 3.667 1.286 701 H ARG 92 HN ARG 92 94.226 5.299 2.464 702 HA ARG 92 HA ARG 92 96.243 5.418 0.456 703 HB2 ARG 92 HB2 ARG 92 96.406 5.531 3.472 704 HB3 ARG 92 HB1 ARG 92 97.737 5.904 2.376 705 HG2 ARG 92 HG2 ARG 92 96.402 7.709 1.357 706 HG3 ARG 92 HG1 ARG 92 95.062 7.332 2.442 707 HD2 ARG 92 HD2 ARG 92 97.828 8.121 3.391 708 HD3 ARG 92 HD1 ARG 92 96.487 9.250 3.221 709 HE ARG 92 HE ARG 92 95.546 7.167 4.802 710 HH11 ARG 92 HH11 ARG 92 95.499 9.904 5.875 711 HH12 ARG 92 HH12 ARG 92 96.659 9.858 7.161 712 HH21 ARG 92 HH21 ARG 92 98.172 6.941 6.053 713 HH22 ARG 92 HH22 ARG 92 98.173 8.183 7.262 714 H GLY 93 HN GLY 93 98.297 4.258 0.579 715 HA2 GLY 93 HA2 GLY 93 98.028 1.477 1.588 716 HA3 GLY 93 HA1 GLY 93 98.666 1.841 -0.013 717 H GLY 94 HN GLY 94 100.584 0.695 0.669 718 HA2 GLY 94 HA2 GLY 94 102.548 2.501 1.849 719 HA3 GLY 94 HA1 GLY 94 102.282 0.989 2.714 720 H LEU 95 HN LEU 95 102.159 -0.956 1.029 721 HA LEU 95 HA LEU 95 104.775 -1.046 -0.210 722 HB2 LEU 95 HB2 LEU 95 102.534 -3.028 0.186 723 HB3 LEU 95 HB1 LEU 95 103.903 -3.407 -0.862 724 HG LEU 95 HG LEU 95 105.455 -2.968 1.011 725 HD11 LEU 95 HD11 LEU 95 102.871 -2.320 2.439 726 HD12 LEU 95 HD12 LEU 95 104.349 -1.363 2.347 727 HD13 LEU 95 HD13 LEU 95 104.309 -2.824 3.330 728 HD21 LEU 95 HD21 LEU 95 103.204 -4.931 1.520 729 HD22 LEU 95 HD22 LEU 95 104.678 -4.895 2.484 730 HD23 LEU 95 HD23 LEU 95 104.761 -5.256 0.758 731 H GLU 96 HN GLU 96 105.229 -1.071 -2.389 732 HA GLU 96 HA GLU 96 103.243 0.069 -4.141 733 HB2 GLU 96 HB2 GLU 96 106.092 -0.844 -4.575 734 HB3 GLU 96 HB1 GLU 96 105.089 -0.185 -5.867 735 HG2 GLU 96 HG2 GLU 96 104.802 1.901 -4.638 736 HG3 GLU 96 HG1 GLU 96 105.689 1.247 -3.261 737 H HIS 97 HN HIS 97 104.299 -3.107 -3.344 738 HA HIS 97 HA HIS 97 102.411 -4.239 -5.271 739 HB2 HIS 97 HB2 HIS 97 105.313 -5.103 -5.193 740 HB3 HIS 97 HB1 HIS 97 104.032 -5.862 -6.136 741 HD1 HIS 97 HD1 HIS 97 102.796 -4.135 -7.898 742 HD2 HIS 97 HD2 HIS 97 106.595 -3.069 -6.552 743 HE1 HIS 97 HE1 HIS 97 103.683 -2.421 -9.538 744 H HIS 98 HN HIS 98 102.063 -6.567 -4.881 745 HA HIS 98 HA HIS 98 102.944 -7.612 -2.296 746 HB2 HIS 98 HB2 HIS 98 100.620 -8.042 -1.552 747 HB3 HIS 98 HB1 HIS 98 100.955 -6.316 -1.685 748 HD1 HIS 98 HD1 HIS 98 100.132 -5.180 -4.018 749 HD2 HIS 98 HD2 HIS 98 98.459 -8.881 -3.081 750 HE1 HIS 98 HE1 HIS 98 98.066 -5.418 -5.463 751 H HIS 99 HN HIS 99 102.916 -9.839 -2.228 752 HA HIS 99 HA HIS 99 102.026 -11.225 -4.702 753 HB2 HIS 99 HB2 HIS 99 104.497 -11.207 -4.236 754 HB3 HIS 99 HB1 HIS 99 104.170 -12.122 -2.766 755 HD1 HIS 99 HD1 HIS 99 103.981 -14.611 -3.016 756 HD2 HIS 99 HD2 HIS 99 103.544 -12.652 -6.671 757 HE1 HIS 99 HE1 HIS 99 103.851 -16.418 -4.787 758 H HIS 100 HN HIS 100 100.769 -10.610 -1.906 759 HA HIS 100 HA HIS 100 100.075 -13.380 -1.127 760 HB2 HIS 100 HB2 HIS 100 100.837 -11.919 0.691 761 HB3 HIS 100 HB1 HIS 100 99.590 -10.740 0.281 762 HD1 HIS 100 HD1 HIS 100 99.864 -14.386 1.354 763 HD2 HIS 100 HD2 HIS 100 97.158 -11.219 1.524 764 HE1 HIS 100 HE1 HIS 100 97.910 -15.188 2.751 765 H HIS 101 HN HIS 101 98.394 -14.115 -2.290 766 HA HIS 101 HA HIS 101 96.393 -14.142 -3.454 767 HB2 HIS 101 HB2 HIS 101 95.689 -12.609 -0.944 768 HB3 HIS 101 HB1 HIS 101 94.488 -13.194 -2.095 769 HD1 HIS 101 HD1 HIS 101 96.936 -14.368 0.487 770 HD2 HIS 101 HD2 HIS 101 94.162 -16.029 -2.143 771 HE1 HIS 101 HE1 HIS 101 96.664 -16.791 1.170 772 H HIS 102 HN HIS 102 97.072 -12.873 -5.254 773 HA HIS 102 HA HIS 102 96.780 -10.013 -5.240 774 HB2 HIS 102 HB2 HIS 102 97.305 -10.165 -7.621 775 HB3 HIS 102 HB1 HIS 102 98.411 -11.184 -6.698 776 HD1 HIS 102 HD1 HIS 102 97.773 -13.809 -6.631 777 HD2 HIS 102 HD2 HIS 102 95.816 -11.541 -9.530 778 HE1 HIS 102 HE1 HIS 102 96.811 -15.454 -8.299 Start of MODEL 2 1 H1 THR 1 HT1 THR 1 56.674 0.618 -0.110 2 H2 THR 1 HT2 THR 1 57.282 -0.921 -0.486 3 H3 THR 1 HT3 THR 1 55.617 -0.703 -0.224 4 HA THR 1 HA THR 1 57.192 0.444 -2.467 5 HB THR 1 HB THR 1 55.994 -1.132 -3.866 6 HG1 THR 1 HG1 THR 1 54.068 -1.086 -2.587 7 HG21 THR 1 HG21 THR 1 58.013 -2.015 -2.802 8 HG22 THR 1 HG22 THR 1 56.799 -3.288 -2.915 9 HG23 THR 1 HG23 THR 1 57.083 -2.475 -1.375 10 H ALA 2 HN ALA 2 56.167 2.411 -1.278 11 HA ALA 2 HA ALA 2 53.815 3.170 -2.794 12 HB1 ALA 2 HB1 ALA 2 52.768 2.091 -0.856 13 HB2 ALA 2 HB2 ALA 2 52.507 3.833 -0.805 14 HB3 ALA 2 HB3 ALA 2 53.726 3.094 0.235 15 H LYS 3 HN LYS 3 56.640 3.817 -1.056 16 HA LYS 3 HA LYS 3 56.748 6.521 -1.976 17 HB2 LYS 3 HB2 LYS 3 55.295 6.607 0.148 18 HB3 LYS 3 HB1 LYS 3 56.775 6.220 1.030 19 HG2 LYS 3 HG2 LYS 3 57.882 8.196 0.081 20 HG3 LYS 3 HG1 LYS 3 56.440 8.571 -0.870 21 HD2 LYS 3 HD2 LYS 3 55.138 8.806 1.216 22 HD3 LYS 3 HD1 LYS 3 56.589 8.453 2.151 23 HE2 LYS 3 HE2 LYS 3 56.597 10.786 2.184 24 HE3 LYS 3 HE1 LYS 3 57.606 10.470 0.775 25 HZ1 LYS 3 HZ1 LYS 3 56.154 11.840 -0.217 26 HZ2 LYS 3 HZ2 LYS 3 54.932 11.579 0.935 27 HZ3 LYS 3 HZ3 LYS 3 55.177 10.459 -0.319 28 H ASN 4 HN ASN 4 58.831 6.756 -2.533 29 HA ASN 4 HA ASN 4 60.935 5.713 -0.741 30 HB2 ASN 4 HB2 ASN 4 62.114 5.245 -3.091 31 HB3 ASN 4 HB1 ASN 4 61.066 4.037 -2.350 32 HD21 ASN 4 HD21 ASN 4 60.354 7.044 -4.233 33 HD22 ASN 4 HD22 ASN 4 59.331 6.270 -5.344 34 H THR 5 HN THR 5 61.948 7.603 -0.101 35 HA THR 5 HA THR 5 62.694 9.501 -2.238 36 HB THR 5 HB THR 5 61.321 10.265 0.363 37 HG1 THR 5 HG1 THR 5 59.862 9.545 -1.140 38 HG21 THR 5 HG21 THR 5 62.681 11.854 -1.813 39 HG22 THR 5 HG22 THR 5 62.818 12.030 -0.064 40 HG23 THR 5 HG23 THR 5 61.350 12.550 -0.890 41 H VAL 6 HN VAL 6 64.820 9.472 -2.175 42 HA VAL 6 HA VAL 6 66.291 8.838 0.201 43 HB VAL 6 HB VAL 6 67.023 8.319 -2.176 44 HG11 VAL 6 HG11 VAL 6 67.964 9.990 -3.536 45 HG12 VAL 6 HG12 VAL 6 68.088 11.141 -2.203 46 HG13 VAL 6 HG13 VAL 6 66.512 10.758 -2.896 47 HG21 VAL 6 HG21 VAL 6 68.764 9.637 -0.097 48 HG22 VAL 6 HG22 VAL 6 69.471 9.070 -1.610 49 HG23 VAL 6 HG23 VAL 6 68.657 7.934 -0.540 50 H VAL 7 HN VAL 7 67.261 10.145 1.625 51 HA VAL 7 HA VAL 7 66.738 13.036 1.427 52 HB VAL 7 HB VAL 7 67.854 11.378 3.706 53 HG11 VAL 7 HG11 VAL 7 68.588 13.593 4.069 54 HG12 VAL 7 HG12 VAL 7 67.073 13.515 4.971 55 HG13 VAL 7 HG13 VAL 7 67.116 14.289 3.387 56 HG21 VAL 7 HG21 VAL 7 65.491 10.844 3.071 57 HG22 VAL 7 HG22 VAL 7 65.079 12.543 3.306 58 HG23 VAL 7 HG23 VAL 7 65.618 11.570 4.676 59 H ARG 8 HN ARG 8 69.325 10.681 1.933 60 HA ARG 8 HA ARG 8 71.193 12.417 0.531 61 HB2 ARG 8 HB2 ARG 8 71.658 13.033 2.831 62 HB3 ARG 8 HB1 ARG 8 71.747 11.332 3.303 63 HG2 ARG 8 HG2 ARG 8 73.709 10.976 1.913 64 HG3 ARG 8 HG1 ARG 8 73.565 12.585 1.209 65 HD2 ARG 8 HD2 ARG 8 73.995 12.050 4.163 66 HD3 ARG 8 HD1 ARG 8 75.305 12.379 3.034 67 HE ARG 8 HE ARG 8 73.375 14.300 4.078 68 HH11 ARG 8 HH11 ARG 8 76.333 13.755 2.489 69 HH12 ARG 8 HH12 ARG 8 76.392 15.300 1.710 70 HH21 ARG 8 HH21 ARG 8 73.203 16.230 2.709 71 HH22 ARG 8 HH22 ARG 8 74.622 16.700 1.834 72 H GLY 9 HN GLY 9 72.944 11.290 -0.286 73 HA2 GLY 9 HA2 GLY 9 72.442 8.406 -0.671 74 HA3 GLY 9 HA1 GLY 9 73.285 9.476 -1.777 75 H LEU 10 HN LEU 10 75.121 8.326 -1.951 76 HA LEU 10 HA LEU 10 76.619 7.411 0.335 77 HB2 LEU 10 HB2 LEU 10 77.343 7.627 -2.603 78 HB3 LEU 10 HB1 LEU 10 78.316 6.808 -1.386 79 HG LEU 10 HG LEU 10 75.422 6.068 -1.916 80 HD11 LEU 10 HD11 LEU 10 77.923 5.263 -3.372 81 HD12 LEU 10 HD12 LEU 10 76.292 5.515 -3.990 82 HD13 LEU 10 HD13 LEU 10 76.679 4.041 -3.111 83 HD21 LEU 10 HD21 LEU 10 76.313 3.852 -0.956 84 HD22 LEU 10 HD22 LEU 10 76.153 5.183 0.181 85 HD23 LEU 10 HD23 LEU 10 77.736 4.760 -0.461 86 H GLU 11 HN GLU 11 78.858 8.146 0.773 87 HA GLU 11 HA GLU 11 79.410 10.938 -0.018 88 HB2 GLU 11 HB2 GLU 11 79.311 9.897 2.823 89 HB3 GLU 11 HB1 GLU 11 80.045 11.429 2.357 90 HG2 GLU 11 HG2 GLU 11 77.173 10.696 1.751 91 HG3 GLU 11 HG1 GLU 11 77.665 11.620 3.165 92 H ASN 12 HN ASN 12 81.590 11.535 0.161 93 HA ASN 12 HA ASN 12 83.464 9.577 -0.587 94 HB2 ASN 12 HB2 ASN 12 85.149 11.306 -0.368 95 HB3 ASN 12 HB1 ASN 12 83.687 12.022 -1.044 96 HD21 ASN 12 HD21 ASN 12 85.349 13.830 0.135 97 HD22 ASN 12 HD22 ASN 12 84.763 14.313 1.656 98 H VAL 13 HN VAL 13 85.162 8.575 0.493 99 HA VAL 13 HA VAL 13 85.161 8.752 3.457 100 HB VAL 13 HB VAL 13 85.179 6.168 1.874 101 HG11 VAL 13 HG11 VAL 13 85.441 6.794 4.830 102 HG12 VAL 13 HG12 VAL 13 86.581 5.908 3.820 103 HG13 VAL 13 HG13 VAL 13 85.018 5.191 4.226 104 HG21 VAL 13 HG21 VAL 13 83.135 7.429 3.728 105 HG22 VAL 13 HG22 VAL 13 83.036 5.787 3.098 106 HG23 VAL 13 HG23 VAL 13 82.951 7.160 1.995 107 H GLU 14 HN GLU 14 87.118 8.889 4.325 108 HA GLU 14 HA GLU 14 89.493 8.188 2.683 109 HB2 GLU 14 HB2 GLU 14 89.153 10.642 2.768 110 HB3 GLU 14 HB1 GLU 14 89.187 10.574 4.529 111 HG2 GLU 14 HG2 GLU 14 91.475 9.677 4.472 112 HG3 GLU 14 HG1 GLU 14 91.444 9.678 2.712 113 H ALA 15 HN ALA 15 90.586 6.596 3.639 114 HA ALA 15 HA ALA 15 91.129 6.708 6.508 115 HB1 ALA 15 HB1 ALA 15 89.152 5.426 6.668 116 HB2 ALA 15 HB2 ALA 15 90.444 4.225 6.672 117 HB3 ALA 15 HB3 ALA 15 89.518 4.521 5.200 118 H LEU 16 HN LEU 16 92.928 5.469 7.116 119 HA LEU 16 HA LEU 16 94.779 4.938 4.951 120 HB2 LEU 16 HB2 LEU 16 96.456 4.817 6.581 121 HB3 LEU 16 HB1 LEU 16 95.344 6.025 7.212 122 HG LEU 16 HG LEU 16 95.488 3.107 8.056 123 HD11 LEU 16 HD11 LEU 16 96.274 4.036 10.182 124 HD12 LEU 16 HD12 LEU 16 96.123 5.674 9.540 125 HD13 LEU 16 HD13 LEU 16 97.323 4.573 8.870 126 HD21 LEU 16 HD21 LEU 16 93.178 3.851 8.204 127 HD22 LEU 16 HD22 LEU 16 93.674 5.382 8.919 128 HD23 LEU 16 HD23 LEU 16 93.862 3.884 9.825 129 H GLU 17 HN GLU 17 95.994 2.900 4.795 130 HA GLU 17 HA GLU 17 94.299 0.704 4.449 131 HB2 GLU 17 HB2 GLU 17 96.345 -0.648 4.188 132 HB3 GLU 17 HB1 GLU 17 96.446 0.863 3.292 133 HG2 GLU 17 HG2 GLU 17 97.792 1.863 5.080 134 HG3 GLU 17 HG1 GLU 17 97.637 0.396 6.044 135 H GLY 18 HN GLY 18 93.797 -1.082 5.598 136 HA2 GLY 18 HA2 GLY 18 93.700 -2.589 7.336 137 HA3 GLY 18 HA1 GLY 18 95.039 -1.747 8.111 138 H GLY 19 HN GLY 19 92.506 0.301 7.160 139 HA2 GLY 19 HA2 GLY 19 91.636 0.603 9.964 140 HA3 GLY 19 HA1 GLY 19 91.395 1.770 8.667 141 H GLU 20 HN GLU 20 89.162 1.692 9.566 142 HA GLU 20 HA GLU 20 87.584 -0.507 8.340 143 HB2 GLU 20 HB2 GLU 20 87.465 -0.406 10.849 144 HB3 GLU 20 HB1 GLU 20 86.821 1.229 10.709 145 HG2 GLU 20 HG2 GLU 20 84.918 0.393 9.412 146 HG3 GLU 20 HG1 GLU 20 85.575 -1.240 9.470 147 H ALA 21 HN ALA 21 85.513 0.235 7.376 148 HA ALA 21 HA ALA 21 85.297 3.144 6.946 149 HB1 ALA 21 HB1 ALA 21 84.977 2.508 4.385 150 HB2 ALA 21 HB2 ALA 21 86.021 1.161 4.826 151 HB3 ALA 21 HB3 ALA 21 86.584 2.810 5.046 152 H LEU 22 HN LEU 22 83.222 3.857 6.464 153 HA LEU 22 HA LEU 22 81.141 1.780 6.167 154 HB2 LEU 22 HB2 LEU 22 81.052 4.034 8.188 155 HB3 LEU 22 HB1 LEU 22 79.751 2.897 7.854 156 HG LEU 22 HG LEU 22 81.719 1.104 8.367 157 HD11 LEU 22 HD11 LEU 22 83.209 1.840 10.097 158 HD12 LEU 22 HD12 LEU 22 82.390 3.395 10.235 159 HD13 LEU 22 HD13 LEU 22 83.339 3.024 8.799 160 HD21 LEU 22 HD21 LEU 22 80.919 1.206 10.815 161 HD22 LEU 22 HD22 LEU 22 79.677 0.993 9.583 162 HD23 LEU 22 HD23 LEU 22 79.932 2.578 10.314 163 H PHE 23 HN PHE 23 79.786 2.174 4.599 164 HA PHE 23 HA PHE 23 79.353 4.962 3.666 165 HB2 PHE 23 HB2 PHE 23 79.370 2.297 2.239 166 HB3 PHE 23 HB1 PHE 23 78.455 3.649 1.577 167 HD1 PHE 23 HD1 PHE 23 81.827 2.390 2.392 168 HD2 PHE 23 HD2 PHE 23 79.559 5.613 0.695 169 HE1 PHE 23 HE1 PHE 23 83.893 3.324 1.387 170 HE2 PHE 23 HE2 PHE 23 81.616 6.533 -0.313 171 HZ PHE 23 HZ PHE 23 83.774 5.407 0.026 172 H GLU 24 HN GLU 24 77.540 5.626 4.761 173 HA GLU 24 HA GLU 24 75.168 3.863 4.603 174 HB2 GLU 24 HB2 GLU 24 74.615 4.222 6.832 175 HB3 GLU 24 HB1 GLU 24 76.373 4.164 6.909 176 HG2 GLU 24 HG2 GLU 24 75.854 6.066 8.176 177 HG3 GLU 24 HG1 GLU 24 76.254 6.745 6.597 178 H CYS 25 HN CYS 25 73.137 4.888 4.557 179 HA CYS 25 HA CYS 25 73.057 7.746 3.820 180 HB2 CYS 25 HB2 CYS 25 71.833 5.575 2.105 181 HB3 CYS 25 HB1 CYS 25 71.885 7.304 1.767 182 HG CYS 25 HG CYS 25 74.565 7.030 1.650 183 H GLN 26 HN GLN 26 70.914 8.641 3.882 184 HA GLN 26 HA GLN 26 69.111 7.155 5.708 185 HB2 GLN 26 HB2 GLN 26 69.249 10.105 5.035 186 HB3 GLN 26 HB1 GLN 26 68.172 9.365 6.220 187 HG2 GLN 26 HG2 GLN 26 71.197 9.215 6.330 188 HG3 GLN 26 HG1 GLN 26 70.233 10.373 7.239 189 HE21 GLN 26 HE21 GLN 26 71.924 7.761 7.911 190 HE22 GLN 26 HE22 GLN 26 70.907 6.958 9.010 191 H LEU 27 HN LEU 27 67.738 5.996 4.503 192 HA LEU 27 HA LEU 27 66.449 7.254 2.146 193 HB2 LEU 27 HB2 LEU 27 67.790 5.419 1.485 194 HB3 LEU 27 HB1 LEU 27 67.204 4.404 2.799 195 HG LEU 27 HG LEU 27 65.295 5.499 0.731 196 HD11 LEU 27 HD11 LEU 27 67.086 3.063 0.506 197 HD12 LEU 27 HD12 LEU 27 66.996 4.434 -0.600 198 HD13 LEU 27 HD13 LEU 27 65.648 3.299 -0.492 199 HD21 LEU 27 HD21 LEU 27 65.085 3.677 3.006 200 HD22 LEU 27 HD22 LEU 27 64.656 2.829 1.531 201 HD23 LEU 27 HD23 LEU 27 63.815 4.306 1.970 202 H SER 28 HN SER 28 64.294 7.479 2.102 203 HA SER 28 HA SER 28 62.731 6.539 4.416 204 HB2 SER 28 HB2 SER 28 62.630 8.920 3.956 205 HB3 SER 28 HB1 SER 28 62.120 8.610 2.300 206 HG SER 28 HG SER 28 60.538 8.966 4.263 207 H GLN 29 HN GLN 29 62.101 4.544 4.035 208 HA GLN 29 HA GLN 29 59.879 3.972 2.476 209 HB2 GLN 29 HB2 GLN 29 61.735 4.032 0.683 210 HB3 GLN 29 HB1 GLN 29 62.344 2.571 1.429 211 HG2 GLN 29 HG2 GLN 29 60.291 2.782 -0.554 212 HG3 GLN 29 HG1 GLN 29 60.887 1.325 0.211 213 HE21 GLN 29 HE21 GLN 29 58.161 3.429 -0.087 214 HE22 GLN 29 HE22 GLN 29 57.185 2.672 1.079 215 HA PRO 30 HA PRO 30 60.687 1.290 6.115 216 HB2 PRO 30 HB2 PRO 30 57.985 0.251 6.006 217 HB3 PRO 30 HB1 PRO 30 58.687 1.368 7.184 218 HG2 PRO 30 HG2 PRO 30 56.838 1.960 5.079 219 HG3 PRO 30 HG1 PRO 30 57.527 3.069 6.266 220 HD2 PRO 30 HD2 PRO 30 58.128 2.906 3.461 221 HD3 PRO 30 HD1 PRO 30 58.837 4.005 4.654 222 H GLU 31 HN GLU 31 59.481 0.300 2.997 223 HA GLU 31 HA GLU 31 60.847 -2.276 3.300 224 HB2 GLU 31 HB2 GLU 31 58.464 -2.715 3.915 225 HB3 GLU 31 HB1 GLU 31 57.972 -2.096 2.340 226 HG2 GLU 31 HG2 GLU 31 59.380 -3.847 1.249 227 HG3 GLU 31 HG1 GLU 31 59.762 -4.493 2.842 228 H VAL 32 HN VAL 32 61.906 -2.824 1.449 229 HA VAL 32 HA VAL 32 61.206 -1.358 -1.037 230 HB VAL 32 HB VAL 32 63.284 -0.458 -0.200 231 HG11 VAL 32 HG11 VAL 32 65.132 -1.750 0.508 232 HG12 VAL 32 HG12 VAL 32 64.495 -3.222 -0.224 233 HG13 VAL 32 HG13 VAL 32 63.744 -2.564 1.226 234 HG21 VAL 32 HG21 VAL 32 64.250 -2.428 -2.261 235 HG22 VAL 32 HG22 VAL 32 64.546 -0.694 -2.149 236 HG23 VAL 32 HG23 VAL 32 62.982 -1.286 -2.703 237 H ALA 33 HN ALA 33 60.418 -2.687 -2.482 238 HA ALA 33 HA ALA 33 60.940 -5.537 -2.406 239 HB1 ALA 33 HB1 ALA 33 58.683 -4.919 -2.870 240 HB2 ALA 33 HB2 ALA 33 59.350 -5.530 -4.381 241 HB3 ALA 33 HB3 ALA 33 59.179 -3.791 -4.130 242 H ALA 34 HN ALA 34 62.666 -3.010 -3.639 243 HA ALA 34 HA ALA 34 64.086 -4.746 -5.463 244 HB1 ALA 34 HB1 ALA 34 62.805 -2.229 -6.552 245 HB2 ALA 34 HB2 ALA 34 62.252 -3.868 -6.895 246 HB3 ALA 34 HB3 ALA 34 63.848 -3.345 -7.436 247 H HIS 35 HN HIS 35 66.145 -4.391 -4.977 248 HA HIS 35 HA HIS 35 67.184 -1.661 -4.834 249 HB2 HIS 35 HB2 HIS 35 68.396 -2.293 -2.655 250 HB3 HIS 35 HB1 HIS 35 66.682 -1.887 -2.537 251 HD1 HIS 35 HD1 HIS 35 65.095 -4.188 -2.932 252 HD2 HIS 35 HD2 HIS 35 68.914 -4.668 -1.345 253 HE1 HIS 35 HE1 HIS 35 65.097 -6.425 -1.752 254 H THR 36 HN THR 36 69.234 -1.521 -5.602 255 HA THR 36 HA THR 36 70.775 -4.036 -5.909 256 HB THR 36 HB THR 36 70.457 -1.841 -7.971 257 HG1 THR 36 HG1 THR 36 69.436 -4.452 -7.670 258 HG21 THR 36 HG21 THR 36 72.045 -4.418 -7.930 259 HG22 THR 36 HG22 THR 36 72.686 -2.780 -8.058 260 HG23 THR 36 HG23 THR 36 71.755 -3.467 -9.382 261 H TRP 37 HN TRP 37 72.665 -3.885 -4.928 262 HA TRP 37 HA TRP 37 73.963 -1.227 -4.638 263 HB2 TRP 37 HB2 TRP 37 73.155 -2.540 -2.540 264 HB3 TRP 37 HB1 TRP 37 74.509 -3.613 -2.865 265 HD1 TRP 37 HD1 TRP 37 76.789 -1.639 -3.649 266 HE1 TRP 37 HE1 TRP 37 77.711 0.056 -1.947 267 HE3 TRP 37 HE3 TRP 37 72.862 -1.441 -0.402 268 HZ2 TRP 37 HZ2 TRP 37 76.891 1.328 0.482 269 HZ3 TRP 37 HZ3 TRP 37 72.954 0.013 1.597 270 HH2 TRP 37 HH2 TRP 37 74.961 1.402 2.048 271 H LEU 38 HN LEU 38 75.616 -1.048 -5.973 272 HA LEU 38 HA LEU 38 77.501 -3.299 -6.285 273 HB2 LEU 38 HB2 LEU 38 76.317 -1.697 -8.558 274 HB3 LEU 38 HB1 LEU 38 77.699 -2.775 -8.713 275 HG LEU 38 HG LEU 38 74.949 -3.620 -7.740 276 HD11 LEU 38 HD11 LEU 38 75.018 -2.940 -10.142 277 HD12 LEU 38 HD12 LEU 38 74.715 -4.668 -9.947 278 HD13 LEU 38 HD13 LEU 38 76.321 -4.101 -10.409 279 HD21 LEU 38 HD21 LEU 38 77.581 -5.040 -8.149 280 HD22 LEU 38 HD22 LEU 38 76.087 -5.922 -8.448 281 HD23 LEU 38 HD23 LEU 38 76.400 -5.240 -6.862 282 H LEU 39 HN LEU 39 79.292 -2.543 -5.441 283 HA LEU 39 HA LEU 39 80.113 0.250 -5.904 284 HB2 LEU 39 HB2 LEU 39 81.976 -0.758 -4.173 285 HB3 LEU 39 HB1 LEU 39 80.482 -0.027 -3.637 286 HG LEU 39 HG LEU 39 79.434 -2.324 -3.666 287 HD11 LEU 39 HD11 LEU 39 82.341 -3.130 -4.021 288 HD12 LEU 39 HD12 LEU 39 81.019 -3.474 -5.139 289 HD13 LEU 39 HD13 LEU 39 81.058 -4.232 -3.549 290 HD21 LEU 39 HD21 LEU 39 80.227 -1.223 -1.607 291 HD22 LEU 39 HD22 LEU 39 81.827 -1.920 -1.857 292 HD23 LEU 39 HD23 LEU 39 80.446 -2.972 -1.532 293 H ASP 40 HN ASP 40 82.668 -1.917 -5.238 294 HA ASP 40 HA ASP 40 83.859 -1.598 -7.758 295 HB2 ASP 40 HB2 ASP 40 85.095 -2.467 -5.714 296 HB3 ASP 40 HB1 ASP 40 84.210 -3.985 -5.893 297 H ASP 41 HN ASP 41 84.057 -3.513 -9.314 298 HA ASP 41 HA ASP 41 81.484 -4.208 -10.175 299 HB2 ASP 41 HB2 ASP 41 82.637 -5.570 -11.888 300 HB3 ASP 41 HB1 ASP 41 83.294 -3.942 -11.761 301 H GLU 42 HN GLU 42 81.756 -5.177 -7.494 302 HA GLU 42 HA GLU 42 81.257 -8.045 -8.009 303 HB2 GLU 42 HB2 GLU 42 82.929 -6.927 -5.746 304 HB3 GLU 42 HB1 GLU 42 82.300 -8.575 -5.773 305 HG2 GLU 42 HG2 GLU 42 83.462 -8.986 -7.915 306 HG3 GLU 42 HG1 GLU 42 84.120 -7.348 -7.867 307 HA PRO 43 HA PRO 43 77.499 -7.024 -5.808 308 HB2 PRO 43 HB2 PRO 43 77.162 -9.704 -4.729 309 HB3 PRO 43 HB1 PRO 43 76.274 -8.940 -6.056 310 HG2 PRO 43 HG2 PRO 43 78.256 -10.988 -6.225 311 HG3 PRO 43 HG1 PRO 43 77.389 -10.196 -7.548 312 HD2 PRO 43 HD2 PRO 43 80.167 -9.879 -6.819 313 HD3 PRO 43 HD1 PRO 43 79.282 -9.098 -8.146 314 H VAL 44 HN VAL 44 76.967 -6.421 -3.646 315 HA VAL 44 HA VAL 44 79.178 -6.712 -1.764 316 HB VAL 44 HB VAL 44 76.612 -5.256 -1.165 317 HG11 VAL 44 HG11 VAL 44 78.147 -3.851 0.134 318 HG12 VAL 44 HG12 VAL 44 79.515 -4.816 -0.412 319 HG13 VAL 44 HG13 VAL 44 78.284 -5.537 0.621 320 HG21 VAL 44 HG21 VAL 44 77.111 -4.304 -3.255 321 HG22 VAL 44 HG22 VAL 44 78.847 -4.456 -3.013 322 HG23 VAL 44 HG23 VAL 44 77.939 -3.236 -2.125 323 H ARG 45 HN ARG 45 79.114 -8.783 -1.131 324 HA ARG 45 HA ARG 45 77.233 -9.415 0.999 325 HB2 ARG 45 HB2 ARG 45 77.641 -11.163 -1.438 326 HB3 ARG 45 HB1 ARG 45 77.070 -11.794 0.102 327 HG2 ARG 45 HG2 ARG 45 75.710 -9.521 -1.376 328 HG3 ARG 45 HG1 ARG 45 75.246 -11.207 -1.565 329 HD2 ARG 45 HD2 ARG 45 73.809 -10.789 0.168 330 HD3 ARG 45 HD1 ARG 45 75.227 -10.940 1.191 331 HE ARG 45 HE ARG 45 75.088 -8.282 0.296 332 HH11 ARG 45 HH21 ARG 45 75.025 -9.593 3.164 333 HH12 ARG 45 HH22 ARG 45 73.618 -8.813 3.807 334 HH21 ARG 45 HH11 ARG 45 72.514 -7.672 0.732 335 HH22 ARG 45 HH12 ARG 45 72.202 -7.727 2.436 336 H THR 46 HN THR 46 79.156 -11.792 -0.561 337 HA THR 46 HA THR 46 81.092 -12.890 -0.003 338 HB THR 46 HB THR 46 82.980 -11.541 0.104 339 HG1 THR 46 HG1 THR 46 83.216 -10.061 1.577 340 HG21 THR 46 HG21 THR 46 81.140 -10.709 -1.599 341 HG22 THR 46 HG22 THR 46 82.613 -9.769 -1.350 342 HG23 THR 46 HG23 THR 46 81.116 -9.288 -0.552 343 H SER 47 HN SER 47 82.537 -11.377 2.578 344 HA SER 47 HA SER 47 80.948 -12.788 4.632 345 HB2 SER 47 HB2 SER 47 83.938 -13.077 4.364 346 HB3 SER 47 HB1 SER 47 82.859 -13.963 5.443 347 HG SER 47 HG SER 47 81.839 -14.766 3.483 348 H GLU 48 HN GLU 48 83.345 -12.416 6.462 349 HA GLU 48 HA GLU 48 82.559 -10.025 7.672 350 HB2 GLU 48 HB2 GLU 48 84.520 -10.228 9.073 351 HB3 GLU 48 HB1 GLU 48 83.886 -11.844 8.779 352 HG2 GLU 48 HG2 GLU 48 85.553 -12.133 6.954 353 HG3 GLU 48 HG1 GLU 48 86.221 -10.553 7.338 354 H ASN 49 HN ASN 49 85.118 -10.628 5.320 355 HA ASN 49 HA ASN 49 86.301 -8.059 5.403 356 HB2 ASN 49 HB2 ASN 49 87.260 -8.665 3.179 357 HB3 ASN 49 HB1 ASN 49 87.503 -9.903 4.406 358 HD21 ASN 49 HD21 ASN 49 87.754 -11.265 2.305 359 HD22 ASN 49 HD22 ASN 49 86.337 -11.942 1.662 360 H ALA 50 HN ALA 50 83.216 -8.658 4.675 361 HA ALA 50 HA ALA 50 82.529 -6.169 3.728 362 HB1 ALA 50 HB1 ALA 50 83.372 -8.038 1.540 363 HB2 ALA 50 HB2 ALA 50 83.577 -6.287 1.656 364 HB3 ALA 50 HB3 ALA 50 82.003 -6.961 1.240 365 H GLU 51 HN GLU 51 80.321 -6.020 3.925 366 HA GLU 51 HA GLU 51 78.485 -7.994 3.107 367 HB2 GLU 51 HB2 GLU 51 79.475 -9.304 4.977 368 HB3 GLU 51 HB1 GLU 51 79.035 -8.013 6.092 369 HG2 GLU 51 HG2 GLU 51 76.647 -8.331 5.479 370 HG3 GLU 51 HG1 GLU 51 77.120 -9.640 4.400 371 H VAL 52 HN VAL 52 76.381 -7.107 3.092 372 HA VAL 52 HA VAL 52 76.176 -4.400 4.145 373 HB VAL 52 HB VAL 52 74.038 -5.913 2.645 374 HG11 VAL 52 HG11 VAL 52 74.850 -2.990 2.729 375 HG12 VAL 52 HG12 VAL 52 73.488 -3.695 3.600 376 HG13 VAL 52 HG13 VAL 52 73.486 -3.659 1.837 377 HG21 VAL 52 HG21 VAL 52 76.346 -4.393 1.414 378 HG22 VAL 52 HG22 VAL 52 75.041 -5.198 0.554 379 HG23 VAL 52 HG23 VAL 52 76.224 -6.148 1.445 380 H VAL 53 HN VAL 53 74.723 -3.728 5.624 381 HA VAL 53 HA VAL 53 72.839 -5.585 6.878 382 HB VAL 53 HB VAL 53 73.662 -4.872 9.161 383 HG11 VAL 53 HG11 VAL 53 75.456 -6.506 9.223 384 HG12 VAL 53 HG12 VAL 53 75.721 -6.340 7.486 385 HG13 VAL 53 HG13 VAL 53 74.236 -7.079 8.085 386 HG21 VAL 53 HG21 VAL 53 74.949 -2.890 8.242 387 HG22 VAL 53 HG22 VAL 53 76.134 -4.033 7.614 388 HG23 VAL 53 HG23 VAL 53 75.874 -3.900 9.354 389 H PHE 54 HN PHE 54 71.100 -4.457 7.910 390 HA PHE 54 HA PHE 54 71.176 -1.558 8.042 391 HB2 PHE 54 HB2 PHE 54 69.437 -1.137 6.439 392 HB3 PHE 54 HB1 PHE 54 70.690 -2.070 5.629 393 HD1 PHE 54 HD1 PHE 54 70.326 -4.451 5.066 394 HD2 PHE 54 HD2 PHE 54 67.272 -2.073 6.926 395 HE1 PHE 54 HE1 PHE 54 68.633 -6.164 4.480 396 HE2 PHE 54 HE2 PHE 54 65.582 -3.793 6.345 397 HZ PHE 54 HZ PHE 54 66.263 -5.835 5.120 398 H PHE 55 HN PHE 55 69.354 -0.662 9.202 399 HA PHE 55 HA PHE 55 67.603 -2.673 10.519 400 HB2 PHE 55 HB2 PHE 55 68.770 -0.336 12.025 401 HB3 PHE 55 HB1 PHE 55 67.997 -1.785 12.663 402 HD1 PHE 55 HD2 PHE 55 69.270 -4.026 11.423 403 HD2 PHE 55 HD1 PHE 55 71.032 -0.283 12.598 404 HE1 PHE 55 HE2 PHE 55 71.484 -5.119 11.596 405 HE2 PHE 55 HE1 PHE 55 73.244 -1.382 12.781 406 HZ PHE 55 HZ PHE 55 73.474 -3.798 12.270 407 H GLU 56 HN GLU 56 66.100 -1.240 12.090 408 HA GLU 56 HA GLU 56 64.254 0.075 12.217 409 HB2 GLU 56 HB2 GLU 56 65.999 1.853 10.518 410 HB3 GLU 56 HB1 GLU 56 64.435 2.351 11.172 411 HG2 GLU 56 HG2 GLU 56 65.221 1.914 13.449 412 HG3 GLU 56 HG1 GLU 56 66.767 1.342 12.823 413 H ASN 57 HN ASN 57 64.620 -1.877 9.977 414 HA ASN 57 HA ASN 57 63.354 -2.684 8.247 415 HB2 ASN 57 HB2 ASN 57 61.519 -1.775 9.839 416 HB3 ASN 57 HB1 ASN 57 61.384 -0.448 8.686 417 HD21 ASN 57 HD21 ASN 57 59.229 -1.155 8.000 418 HD22 ASN 57 HD22 ASN 57 59.024 -2.546 7.047 419 H GLY 58 HN GLY 58 65.441 -0.816 7.631 420 HA2 GLY 58 HA2 GLY 58 66.157 -0.124 5.506 421 HA3 GLY 58 HA1 GLY 58 64.488 0.019 4.992 422 H LEU 59 HN LEU 59 64.640 1.594 7.930 423 HA LEU 59 HA LEU 59 64.391 4.145 6.725 424 HB2 LEU 59 HB2 LEU 59 63.613 3.372 9.108 425 HB3 LEU 59 HB1 LEU 59 65.244 3.823 9.594 426 HG LEU 59 HG LEU 59 64.863 6.074 8.500 427 HD11 LEU 59 HD11 LEU 59 62.159 4.838 8.094 428 HD12 LEU 59 HD12 LEU 59 63.049 5.964 7.072 429 HD13 LEU 59 HD13 LEU 59 62.225 6.551 8.509 430 HD21 LEU 59 HD21 LEU 59 64.776 6.014 10.875 431 HD22 LEU 59 HD22 LEU 59 63.247 5.135 10.876 432 HD23 LEU 59 HD23 LEU 59 63.287 6.832 10.401 433 H ARG 60 HN ARG 60 67.047 2.255 7.851 434 HA ARG 60 HA ARG 60 68.927 4.293 6.855 435 HB2 ARG 60 HB2 ARG 60 68.765 4.344 9.428 436 HB3 ARG 60 HB1 ARG 60 69.523 2.753 9.384 437 HG2 ARG 60 HG2 ARG 60 71.424 3.660 8.136 438 HG3 ARG 60 HG1 ARG 60 70.667 5.250 8.102 439 HD2 ARG 60 HD2 ARG 60 71.478 3.744 10.601 440 HD3 ARG 60 HD1 ARG 60 72.366 5.086 9.885 441 HE ARG 60 HE ARG 60 69.854 6.100 10.275 442 HH11 ARG 60 HH11 ARG 60 72.672 6.094 11.953 443 HH12 ARG 60 HH12 ARG 60 71.991 6.178 13.544 444 HH21 ARG 60 HH21 ARG 60 68.752 5.525 12.484 445 HH22 ARG 60 HH22 ARG 60 69.771 5.855 13.846 446 H HIS 61 HN HIS 61 70.806 3.426 5.982 447 HA HIS 61 HA HIS 61 71.014 0.475 5.816 448 HB2 HIS 61 HB2 HIS 61 70.889 2.464 3.547 449 HB3 HIS 61 HB1 HIS 61 71.768 0.949 3.359 450 HD1 HIS 61 HD1 HIS 61 68.284 2.312 3.842 451 HD2 HIS 61 HD2 HIS 61 70.147 -1.363 3.183 452 HE1 HIS 61 HE1 HIS 61 66.445 0.655 3.310 453 H LEU 62 HN LEU 62 73.006 -0.134 6.459 454 HA LEU 62 HA LEU 62 75.288 1.704 5.957 455 HB2 LEU 62 HB2 LEU 62 76.175 0.441 8.170 456 HB3 LEU 62 HB1 LEU 62 75.261 1.942 8.251 457 HG LEU 62 HG LEU 62 73.699 -0.630 8.191 458 HD11 LEU 62 HD11 LEU 62 73.928 -0.925 10.603 459 HD12 LEU 62 HD12 LEU 62 75.050 0.431 10.691 460 HD13 LEU 62 HD13 LEU 62 75.513 -1.042 9.845 461 HD21 LEU 62 HD21 LEU 62 72.493 1.508 8.222 462 HD22 LEU 62 HD22 LEU 62 73.403 2.029 9.642 463 HD23 LEU 62 HD23 LEU 62 72.264 0.691 9.768 464 H LEU 63 HN LEU 63 77.048 0.836 5.118 465 HA LEU 63 HA LEU 63 77.188 -2.108 4.697 466 HB2 LEU 63 HB2 LEU 63 76.848 -1.129 2.560 467 HB3 LEU 63 HB1 LEU 63 77.889 0.237 2.926 468 HG LEU 63 HG LEU 63 79.868 -1.145 2.820 469 HD11 LEU 63 HD11 LEU 63 79.424 -3.635 2.052 470 HD12 LEU 63 HD12 LEU 63 77.866 -3.388 2.839 471 HD13 LEU 63 HD13 LEU 63 79.353 -3.216 3.757 472 HD21 LEU 63 HD21 LEU 63 79.191 -0.376 0.668 473 HD22 LEU 63 HD22 LEU 63 77.915 -1.584 0.554 474 HD23 LEU 63 HD23 LEU 63 79.607 -2.075 0.464 475 H LEU 64 HN LEU 64 78.844 -2.975 5.975 476 HA LEU 64 HA LEU 64 80.984 -1.164 6.799 477 HB2 LEU 64 HB2 LEU 64 79.560 -2.543 8.383 478 HB3 LEU 64 HB1 LEU 64 80.371 -3.966 7.749 479 HG LEU 64 HG LEU 64 82.142 -1.717 8.675 480 HD11 LEU 64 HD11 LEU 64 80.440 -3.411 10.504 481 HD12 LEU 64 HD12 LEU 64 80.652 -1.661 10.519 482 HD13 LEU 64 HD13 LEU 64 81.970 -2.713 11.038 483 HD21 LEU 64 HD21 LEU 64 82.200 -4.745 8.947 484 HD22 LEU 64 HD22 LEU 64 83.460 -3.662 9.537 485 HD23 LEU 64 HD23 LEU 64 83.137 -3.778 7.809 486 H LEU 65 HN LEU 65 83.005 -1.354 6.201 487 HA LEU 65 HA LEU 65 83.866 -3.623 4.513 488 HB2 LEU 65 HB2 LEU 65 84.841 -0.758 4.458 489 HB3 LEU 65 HB1 LEU 65 85.423 -2.060 3.430 490 HG LEU 65 HG LEU 65 82.569 -1.020 3.505 491 HD11 LEU 65 HD11 LEU 65 83.117 -0.213 1.194 492 HD12 LEU 65 HD12 LEU 65 84.799 -0.662 1.478 493 HD13 LEU 65 HD13 LEU 65 84.048 0.601 2.450 494 HD21 LEU 65 HD21 LEU 65 82.370 -3.267 2.835 495 HD22 LEU 65 HD22 LEU 65 83.935 -3.265 2.020 496 HD23 LEU 65 HD23 LEU 65 82.556 -2.440 1.291 497 H LYS 66 HN LYS 66 86.386 -3.824 4.610 498 HA LYS 66 HA LYS 66 87.621 -3.007 7.036 499 HB2 LYS 66 HB2 LYS 66 85.998 -5.220 7.370 500 HB3 LYS 66 HB1 LYS 66 87.548 -5.979 7.035 501 HG2 LYS 66 HG2 LYS 66 88.601 -4.734 8.846 502 HG3 LYS 66 HG1 LYS 66 87.115 -3.834 9.141 503 HD2 LYS 66 HD2 LYS 66 87.039 -6.844 9.247 504 HD3 LYS 66 HD1 LYS 66 87.699 -5.955 10.618 505 HE2 LYS 66 HE2 LYS 66 84.958 -5.452 9.420 506 HE3 LYS 66 HE1 LYS 66 85.257 -6.424 10.856 507 HZ1 LYS 66 HZ1 LYS 66 86.420 -3.747 10.804 508 HZ2 LYS 66 HZ2 LYS 66 85.742 -4.616 12.101 509 HZ3 LYS 66 HZ3 LYS 66 84.733 -3.838 10.974 510 H ASN 67 HN ASN 67 89.709 -4.602 7.292 511 HA ASN 67 HA ASN 67 91.815 -4.835 6.351 512 HB2 ASN 67 HB2 ASN 67 91.797 -6.559 4.503 513 HB3 ASN 67 HB1 ASN 67 90.969 -7.046 5.982 514 HD21 ASN 67 HD21 ASN 67 88.853 -7.765 5.731 515 HD22 ASN 67 HD22 ASN 67 87.896 -7.493 4.356 516 H LEU 68 HN LEU 68 91.128 -2.433 5.722 517 HA LEU 68 HA LEU 68 90.688 -1.737 3.056 518 HB2 LEU 68 HB2 LEU 68 92.172 -0.289 5.247 519 HB3 LEU 68 HB1 LEU 68 91.737 0.449 3.709 520 HG LEU 68 HG LEU 68 89.741 -0.796 5.629 521 HD11 LEU 68 HD11 LEU 68 90.126 2.152 5.094 522 HD12 LEU 68 HD12 LEU 68 90.975 1.330 6.403 523 HD13 LEU 68 HD13 LEU 68 89.214 1.389 6.395 524 HD21 LEU 68 HD21 LEU 68 88.244 0.813 4.094 525 HD22 LEU 68 HD22 LEU 68 88.623 -0.827 3.590 526 HD23 LEU 68 HD23 LEU 68 89.541 0.527 2.934 527 H ARG 69 HN ARG 69 91.954 -1.515 1.295 528 HA ARG 69 HA ARG 69 94.880 -1.744 1.516 529 HB2 ARG 69 HB2 ARG 69 93.038 -3.587 -0.012 530 HB3 ARG 69 HB1 ARG 69 94.706 -3.350 -0.519 531 HG2 ARG 69 HG2 ARG 69 94.154 -4.028 2.362 532 HG3 ARG 69 HG1 ARG 69 94.072 -5.308 1.159 533 HD2 ARG 69 HD2 ARG 69 96.365 -4.767 0.419 534 HD3 ARG 69 HD1 ARG 69 96.450 -3.481 1.621 535 HE ARG 69 HE ARG 69 95.763 -5.891 2.917 536 HH11 ARG 69 HH21 ARG 69 98.390 -3.973 1.797 537 HH12 ARG 69 HH22 ARG 69 99.613 -5.020 2.437 538 HH21 ARG 69 HH11 ARG 69 97.362 -7.423 3.518 539 HH22 ARG 69 HH12 ARG 69 99.029 -6.973 3.413 540 HA PRO 70 HA PRO 70 94.641 1.433 -1.560 541 HB2 PRO 70 HB2 PRO 70 96.667 0.378 -3.341 542 HB3 PRO 70 HB1 PRO 70 96.818 1.719 -2.198 543 HG2 PRO 70 HG2 PRO 70 97.886 -0.950 -1.970 544 HG3 PRO 70 HG1 PRO 70 98.111 0.423 -0.880 545 HD2 PRO 70 HD2 PRO 70 96.557 -1.923 -0.369 546 HD3 PRO 70 HD1 PRO 70 96.652 -0.469 0.639 547 H GLN 71 HN GLN 71 94.941 -1.910 -2.610 548 HA GLN 71 HA GLN 71 93.812 -1.750 -5.165 549 HB2 GLN 71 HB2 GLN 71 94.801 -3.837 -4.280 550 HB3 GLN 71 HB1 GLN 71 93.455 -3.994 -3.147 551 HG2 GLN 71 HG2 GLN 71 91.862 -4.190 -4.986 552 HG3 GLN 71 HG1 GLN 71 93.141 -3.880 -6.163 553 HE21 GLN 71 HE21 GLN 71 91.655 -6.260 -6.370 554 HE22 GLN 71 HE22 GLN 71 92.639 -7.579 -5.948 555 H ASP 72 HN ASP 72 92.114 -2.489 -2.063 556 HA ASP 72 HA ASP 72 89.568 -2.688 -2.871 557 HB2 ASP 72 HB2 ASP 72 90.689 -1.299 -0.440 558 HB3 ASP 72 HB1 ASP 72 88.962 -1.582 -0.654 559 H SER 73 HN SER 73 91.197 0.525 -2.344 560 HA SER 73 HA SER 73 89.052 2.155 -2.611 561 HB2 SER 73 HB2 SER 73 91.122 3.210 -2.263 562 HB3 SER 73 HB1 SER 73 91.867 2.390 -3.632 563 HG SER 73 HG SER 73 91.311 4.588 -4.068 564 H CYS 74 HN CYS 74 87.433 2.116 -3.999 565 HA CYS 74 HA CYS 74 87.984 1.994 -6.872 566 HB2 CYS 74 HB2 CYS 74 87.578 -0.372 -5.792 567 HB3 CYS 74 HB1 CYS 74 85.886 0.118 -5.832 568 HG CYS 74 HG CYS 74 87.239 -0.959 -8.177 569 H ARG 75 HN ARG 75 85.230 1.344 -7.453 570 HA ARG 75 HA ARG 75 84.064 3.991 -7.051 571 HB2 ARG 75 HB2 ARG 75 84.394 2.671 -9.306 572 HB3 ARG 75 HB1 ARG 75 82.936 1.821 -8.809 573 HG2 ARG 75 HG2 ARG 75 82.070 3.591 -10.078 574 HG3 ARG 75 HG1 ARG 75 81.955 4.221 -8.436 575 HD2 ARG 75 HD2 ARG 75 84.034 5.458 -8.724 576 HD3 ARG 75 HD1 ARG 75 84.274 4.740 -10.312 577 HE ARG 75 HE ARG 75 81.781 6.073 -10.254 578 HH11 ARG 75 HH21 ARG 75 83.285 8.202 -8.890 579 HH12 ARG 75 HH22 ARG 75 84.015 9.083 -10.191 580 HH21 ARG 75 HH11 ARG 75 83.584 6.535 -12.506 581 HH22 ARG 75 HH12 ARG 75 84.186 8.140 -12.239 582 H VAL 76 HN VAL 76 82.433 4.329 -5.666 583 HA VAL 76 HA VAL 76 80.952 1.988 -4.613 584 HB VAL 76 HB VAL 76 81.067 4.688 -3.284 585 HG11 VAL 76 HG11 VAL 76 79.382 3.084 -2.486 586 HG12 VAL 76 HG12 VAL 76 80.645 3.299 -1.272 587 HG13 VAL 76 HG13 VAL 76 80.633 1.857 -2.285 588 HG21 VAL 76 HG21 VAL 76 82.918 3.634 -1.887 589 HG22 VAL 76 HG22 VAL 76 83.379 4.102 -3.524 590 HG23 VAL 76 HG23 VAL 76 83.054 2.409 -3.148 591 H THR 77 HN THR 77 79.047 1.762 -5.617 592 HA THR 77 HA THR 77 77.378 4.178 -5.986 593 HB THR 77 HB THR 77 77.723 1.950 -8.011 594 HG1 THR 77 HG1 THR 77 78.628 4.624 -7.850 595 HG21 THR 77 HG21 THR 77 75.459 2.871 -8.030 596 HG22 THR 77 HG22 THR 77 76.345 3.473 -9.431 597 HG23 THR 77 HG23 THR 77 76.102 4.514 -8.027 598 H PHE 78 HN PHE 78 75.357 3.991 -5.347 599 HA PHE 78 HA PHE 78 74.123 1.345 -4.895 600 HB2 PHE 78 HB2 PHE 78 74.953 1.894 -2.704 601 HB3 PHE 78 HB1 PHE 78 74.416 3.563 -2.854 602 HD1 PHE 78 HD1 PHE 78 73.082 0.058 -2.866 603 HD2 PHE 78 HD2 PHE 78 72.312 4.196 -2.000 604 HE1 PHE 78 HE1 PHE 78 70.892 -0.553 -1.871 605 HE2 PHE 78 HE2 PHE 78 70.128 3.582 -0.999 606 HZ PHE 78 HZ PHE 78 69.416 1.208 -0.938 607 H LEU 79 HN LEU 79 72.070 1.332 -5.739 608 HA LEU 79 HA LEU 79 70.600 3.890 -5.790 609 HB2 LEU 79 HB2 LEU 79 69.926 3.635 -8.106 610 HB3 LEU 79 HB1 LEU 79 71.676 3.728 -7.992 611 HG LEU 79 HG LEU 79 70.188 1.094 -8.183 612 HD11 LEU 79 HD11 LEU 79 70.660 1.094 -10.553 613 HD12 LEU 79 HD12 LEU 79 71.440 2.672 -10.426 614 HD13 LEU 79 HD13 LEU 79 69.705 2.517 -10.144 615 HD21 LEU 79 HD21 LEU 79 72.398 0.696 -7.408 616 HD22 LEU 79 HD22 LEU 79 73.074 1.956 -8.436 617 HD23 LEU 79 HD23 LEU 79 72.503 0.447 -9.147 618 H ALA 80 HN ALA 80 68.763 3.674 -4.862 619 HA ALA 80 HA ALA 80 67.356 1.068 -4.906 620 HB1 ALA 80 HB1 ALA 80 66.085 2.101 -2.958 621 HB2 ALA 80 HB2 ALA 80 67.268 3.405 -2.984 622 HB3 ALA 80 HB3 ALA 80 67.785 1.755 -2.646 623 H GLY 81 HN GLY 81 66.075 1.145 -6.684 624 HA2 GLY 81 HA2 GLY 81 64.428 1.858 -8.136 625 HA3 GLY 81 HA1 GLY 81 63.741 2.668 -6.728 626 H ASP 82 HN ASP 82 63.098 4.482 -7.993 627 HA ASP 82 HA ASP 82 64.538 5.938 -9.771 628 HB2 ASP 82 HB2 ASP 82 62.536 6.853 -7.703 629 HB3 ASP 82 HB1 ASP 82 63.100 7.855 -9.043 630 H MET 83 HN MET 83 66.010 5.349 -6.938 631 HA MET 83 HA MET 83 67.163 8.086 -6.747 632 HB2 MET 83 HB2 MET 83 67.142 6.034 -4.528 633 HB3 MET 83 HB1 MET 83 67.554 7.742 -4.425 634 HG2 MET 83 HG2 MET 83 65.383 8.180 -3.886 635 HG3 MET 83 HG1 MET 83 64.917 7.669 -5.505 636 HE1 MET 83 HE1 MET 83 64.218 5.624 -1.547 637 HE2 MET 83 HE2 MET 83 64.301 7.330 -1.977 638 HE3 MET 83 HE3 MET 83 65.781 6.380 -1.876 639 H VAL 84 HN VAL 84 69.162 8.183 -7.550 640 HA VAL 84 HA VAL 84 70.954 5.836 -7.242 641 HB VAL 84 HB VAL 84 70.346 5.972 -9.573 642 HG11 VAL 84 HG11 VAL 84 69.499 8.335 -9.463 643 HG12 VAL 84 HG12 VAL 84 70.522 8.027 -10.866 644 HG13 VAL 84 HG13 VAL 84 71.173 8.891 -9.473 645 HG21 VAL 84 HG21 VAL 84 72.808 5.722 -8.897 646 HG22 VAL 84 HG22 VAL 84 72.995 7.419 -9.342 647 HG23 VAL 84 HG23 VAL 84 72.507 6.238 -10.557 648 H THR 85 HN THR 85 72.861 6.265 -6.335 649 HA THR 85 HA THR 85 73.876 9.031 -6.216 650 HB THR 85 HB THR 85 74.002 9.094 -3.869 651 HG1 THR 85 HG1 THR 85 73.750 6.289 -4.103 652 HG21 THR 85 HG21 THR 85 71.489 7.480 -4.467 653 HG22 THR 85 HG22 THR 85 71.650 9.225 -4.666 654 HG23 THR 85 HG23 THR 85 71.745 8.505 -3.062 655 H SER 86 HN SER 86 76.170 9.143 -5.808 656 HA SER 86 HA SER 86 77.650 6.640 -5.595 657 HB2 SER 86 HB2 SER 86 78.993 7.115 -7.650 658 HB3 SER 86 HB1 SER 86 77.316 6.684 -7.980 659 HG SER 86 HG SER 86 78.272 8.618 -9.059 660 H ALA 87 HN ALA 87 79.500 6.885 -4.534 661 HA ALA 87 HA ALA 87 80.722 9.560 -4.284 662 HB1 ALA 87 HB1 ALA 87 80.959 9.308 -1.934 663 HB2 ALA 87 HB2 ALA 87 80.445 7.623 -1.988 664 HB3 ALA 87 HB3 ALA 87 79.278 8.909 -2.284 665 H PHE 88 HN PHE 88 82.961 9.542 -4.043 666 HA PHE 88 HA PHE 88 84.285 7.240 -5.138 667 HB2 PHE 88 HB2 PHE 88 84.908 9.540 -5.751 668 HB3 PHE 88 HB1 PHE 88 85.394 9.851 -4.086 669 HD1 PHE 88 HD1 PHE 88 85.969 7.307 -6.789 670 HD2 PHE 88 HD2 PHE 88 87.665 9.594 -3.569 671 HE1 PHE 88 HE1 PHE 88 88.206 6.367 -7.299 672 HE2 PHE 88 HE2 PHE 88 89.898 8.651 -4.080 673 HZ PHE 88 HZ PHE 88 90.170 7.043 -5.949 674 H LEU 89 HN LEU 89 86.278 6.372 -4.196 675 HA LEU 89 HA LEU 89 86.246 6.267 -1.235 676 HB2 LEU 89 HB2 LEU 89 85.281 4.181 -2.026 677 HB3 LEU 89 HB1 LEU 89 86.614 3.948 -3.153 678 HG LEU 89 HG LEU 89 88.188 3.756 -1.268 679 HD11 LEU 89 HD11 LEU 89 87.090 3.466 1.054 680 HD12 LEU 89 HD12 LEU 89 85.732 4.338 0.362 681 HD13 LEU 89 HD13 LEU 89 87.307 5.103 0.454 682 HD21 LEU 89 HD21 LEU 89 86.798 1.788 -2.164 683 HD22 LEU 89 HD22 LEU 89 85.820 1.968 -0.707 684 HD23 LEU 89 HD23 LEU 89 87.533 1.578 -0.575 685 H THR 90 HN THR 90 88.232 6.427 -0.275 686 HA THR 90 HA THR 90 90.629 6.441 -2.012 687 HB THR 90 HB THR 90 90.104 8.448 0.187 688 HG1 THR 90 HG1 THR 90 88.742 8.998 -1.418 689 HG21 THR 90 HG21 THR 90 92.199 8.290 -1.998 690 HG22 THR 90 HG22 THR 90 92.470 7.941 -0.287 691 HG23 THR 90 HG23 THR 90 92.055 9.575 -0.798 692 H VAL 91 HN VAL 91 92.042 5.001 -1.258 693 HA VAL 91 HA VAL 91 92.273 4.622 1.685 694 HB VAL 91 HB VAL 91 92.390 2.479 -0.451 695 HG11 VAL 91 HG11 VAL 91 92.739 2.422 2.551 696 HG12 VAL 91 HG12 VAL 91 93.913 1.943 1.323 697 HG13 VAL 91 HG13 VAL 91 92.455 0.981 1.573 698 HG21 VAL 91 HG21 VAL 91 90.348 3.044 1.725 699 HG22 VAL 91 HG22 VAL 91 90.327 1.646 0.650 700 HG23 VAL 91 HG23 VAL 91 90.096 3.268 -0.005 701 H ARG 92 HN ARG 92 94.206 5.374 2.246 702 HA ARG 92 HA ARG 92 96.426 5.446 0.408 703 HB2 ARG 92 HB2 ARG 92 96.143 6.208 3.313 704 HB3 ARG 92 HB1 ARG 92 97.629 6.416 2.387 705 HG2 ARG 92 HG2 ARG 92 96.439 7.838 0.770 706 HG3 ARG 92 HG1 ARG 92 94.935 7.608 1.661 707 HD2 ARG 92 HD2 ARG 92 97.436 8.815 2.870 708 HD3 ARG 92 HD1 ARG 92 96.120 9.768 2.188 709 HE ARG 92 HE ARG 92 94.997 8.011 4.053 710 HH11 ARG 92 HH21 ARG 92 95.574 11.202 3.762 711 HH12 ARG 92 HH22 ARG 92 95.956 11.529 5.418 712 HH21 ARG 92 HH11 ARG 92 96.217 8.182 6.285 713 HH22 ARG 92 HH12 ARG 92 96.319 9.815 6.852 714 H GLY 93 HN GLY 93 98.618 4.657 1.159 715 HA2 GLY 93 HA2 GLY 93 98.484 2.134 2.687 716 HA3 GLY 93 HA1 GLY 93 99.158 2.116 1.059 717 H GLY 94 HN GLY 94 101.275 1.630 1.564 718 HA2 GLY 94 HA2 GLY 94 102.885 3.806 2.597 719 HA3 GLY 94 HA1 GLY 94 102.874 2.376 3.626 720 H LEU 95 HN LEU 95 104.130 3.821 0.786 721 HA LEU 95 HA LEU 95 105.300 1.295 -0.188 722 HB2 LEU 95 HB2 LEU 95 104.985 4.052 -1.362 723 HB3 LEU 95 HB1 LEU 95 106.126 2.898 -2.055 724 HG LEU 95 HG LEU 95 104.278 1.246 -2.286 725 HD11 LEU 95 HD11 LEU 95 101.923 2.279 -2.111 726 HD12 LEU 95 HD12 LEU 95 102.685 3.544 -1.146 727 HD13 LEU 95 HD13 LEU 95 102.728 1.870 -0.597 728 HD21 LEU 95 HD21 LEU 95 104.866 2.750 -4.164 729 HD22 LEU 95 HD22 LEU 95 103.712 3.941 -3.567 730 HD23 LEU 95 HD23 LEU 95 103.142 2.378 -4.157 731 H GLU 96 HN GLU 96 106.137 3.720 1.963 732 HA GLU 96 HA GLU 96 108.979 3.787 1.275 733 HB2 GLU 96 HB2 GLU 96 109.173 5.326 3.175 734 HB3 GLU 96 HB1 GLU 96 107.882 5.832 2.085 735 HG2 GLU 96 HG2 GLU 96 106.244 4.652 3.579 736 HG3 GLU 96 HG1 GLU 96 107.564 4.345 4.707 737 H HIS 97 HN HIS 97 110.530 2.573 2.195 738 HA HIS 97 HA HIS 97 110.122 1.258 4.762 739 HB2 HIS 97 HB2 HIS 97 109.107 -0.274 3.013 740 HB3 HIS 97 HB1 HIS 97 110.728 -0.455 2.345 741 HD1 HIS 97 HD1 HIS 97 112.386 -1.944 3.632 742 HD2 HIS 97 HD2 HIS 97 108.785 -1.392 5.666 743 HE1 HIS 97 HE1 HIS 97 112.405 -3.562 5.580 744 H HIS 98 HN HIS 98 111.982 3.032 2.890 745 HA HIS 98 HA HIS 98 114.540 1.700 3.569 746 HB2 HIS 98 HB2 HIS 98 114.305 2.253 1.211 747 HB3 HIS 98 HB1 HIS 98 113.927 3.930 1.616 748 HD1 HIS 98 HD1 HIS 98 116.762 1.420 2.052 749 HD2 HIS 98 HD2 HIS 98 116.166 5.547 1.907 750 HE1 HIS 98 HE1 HIS 98 119.059 2.481 2.150 751 H HIS 99 HN HIS 99 115.063 2.307 5.606 752 HA HIS 99 HA HIS 99 115.645 5.135 6.071 753 HB2 HIS 99 HB2 HIS 99 113.898 3.572 7.994 754 HB3 HIS 99 HB1 HIS 99 114.444 5.234 8.188 755 HD1 HIS 99 HD1 HIS 99 113.714 6.785 5.922 756 HD2 HIS 99 HD2 HIS 99 111.377 3.485 6.929 757 HE1 HIS 99 HE1 HIS 99 111.475 7.130 4.795 758 H HIS 100 HN HIS 100 116.847 5.416 8.154 759 HA HIS 100 HA HIS 100 118.873 3.371 8.381 760 HB2 HIS 100 HB2 HIS 100 118.441 6.019 9.783 761 HB3 HIS 100 HB1 HIS 100 119.827 4.970 10.091 762 HD1 HIS 100 HD1 HIS 100 121.315 4.377 7.908 763 HD2 HIS 100 HD2 HIS 100 118.719 7.614 7.510 764 HE1 HIS 100 HE1 HIS 100 122.083 5.658 5.867 765 H HIS 101 HN HIS 101 118.426 4.742 11.426 766 HA HIS 101 HA HIS 101 117.908 2.269 12.671 767 HB2 HIS 101 HB2 HIS 101 117.446 3.686 14.704 768 HB3 HIS 101 HB1 HIS 101 118.986 4.027 13.913 769 HD1 HIS 101 HD1 HIS 101 115.808 5.591 14.892 770 HD2 HIS 101 HD2 HIS 101 118.905 6.446 12.236 771 HE1 HIS 101 HE1 HIS 101 115.548 8.027 14.251 772 H HIS 102 HN HIS 102 116.060 1.167 12.942 773 HA HIS 102 HA HIS 102 113.578 2.151 11.905 774 HB2 HIS 102 HB2 HIS 102 112.637 0.028 12.706 775 HB3 HIS 102 HB1 HIS 102 114.153 -0.244 11.847 776 HD1 HIS 102 HD1 HIS 102 116.340 -0.438 13.472 777 HD2 HIS 102 HD2 HIS 102 112.627 -1.011 15.274 778 HE1 HIS 102 HE1 HIS 102 116.790 -1.579 15.688 Start of MODEL 3 1 H1 THR 1 HT1 THR 1 54.541 -0.175 -1.140 2 H2 THR 1 HT2 THR 1 56.231 -0.344 -1.123 3 H3 THR 1 HT3 THR 1 55.308 -1.131 -2.311 4 HA THR 1 HA THR 1 56.525 1.313 -2.535 5 HB THR 1 HB THR 1 54.203 0.384 -4.229 6 HG1 THR 1 HG1 THR 1 55.452 -1.185 -5.035 7 HG21 THR 1 HG21 THR 1 56.883 1.642 -4.895 8 HG22 THR 1 HG22 THR 1 55.360 2.523 -4.768 9 HG23 THR 1 HG23 THR 1 55.576 1.311 -6.032 10 H ALA 2 HN ALA 2 55.884 2.896 -1.071 11 HA ALA 2 HA ALA 2 53.243 4.115 -1.595 12 HB1 ALA 2 HB1 ALA 2 54.453 3.606 1.132 13 HB2 ALA 2 HB2 ALA 2 52.984 2.879 0.486 14 HB3 ALA 2 HB3 ALA 2 53.034 4.609 0.834 15 H LYS 3 HN LYS 3 56.614 4.415 -0.640 16 HA LYS 3 HA LYS 3 56.842 7.013 -1.739 17 HB2 LYS 3 HB2 LYS 3 55.658 7.616 0.386 18 HB3 LYS 3 HB1 LYS 3 57.003 6.911 1.285 19 HG2 LYS 3 HG2 LYS 3 58.564 8.478 0.180 20 HG3 LYS 3 HG1 LYS 3 57.222 9.179 -0.715 21 HD2 LYS 3 HD2 LYS 3 56.170 9.865 1.412 22 HD3 LYS 3 HD1 LYS 3 57.527 9.175 2.298 23 HE2 LYS 3 HE2 LYS 3 59.070 10.707 1.105 24 HE3 LYS 3 HE1 LYS 3 57.694 11.416 0.261 25 HZ1 LYS 3 HZ1 LYS 3 57.081 12.568 2.057 26 HZ2 LYS 3 HZ2 LYS 3 58.674 12.310 2.589 27 HZ3 LYS 3 HZ3 LYS 3 57.419 11.299 3.132 28 H ASN 4 HN ASN 4 58.906 7.070 -2.465 29 HA ASN 4 HA ASN 4 61.028 5.864 -0.815 30 HB2 ASN 4 HB2 ASN 4 62.007 4.914 -2.912 31 HB3 ASN 4 HB1 ASN 4 60.484 4.171 -2.441 32 HD21 ASN 4 HD21 ASN 4 60.896 3.779 -5.056 33 HD22 ASN 4 HD22 ASN 4 60.040 4.880 -6.023 34 H THR 5 HN THR 5 62.209 7.703 -0.285 35 HA THR 5 HA THR 5 63.300 9.195 -2.544 36 HB THR 5 HB THR 5 61.714 10.543 -0.360 37 HG1 THR 5 HG1 THR 5 60.303 10.960 -1.995 38 HG21 THR 5 HG21 THR 5 63.511 12.003 -0.856 39 HG22 THR 5 HG22 THR 5 62.218 12.558 -1.919 40 HG23 THR 5 HG23 THR 5 63.519 11.558 -2.563 41 H VAL 6 HN VAL 6 65.401 9.170 -2.201 42 HA VAL 6 HA VAL 6 66.629 8.711 0.298 43 HB VAL 6 HB VAL 6 67.757 9.804 -2.287 44 HG11 VAL 6 HG11 VAL 6 70.007 9.278 -1.199 45 HG12 VAL 6 HG12 VAL 6 69.153 9.193 0.340 46 HG13 VAL 6 HG13 VAL 6 69.194 10.706 -0.563 47 HG21 VAL 6 HG21 VAL 6 67.011 7.365 -2.045 48 HG22 VAL 6 HG22 VAL 6 68.323 7.178 -0.889 49 HG23 VAL 6 HG23 VAL 6 68.675 7.619 -2.558 50 H VAL 7 HN VAL 7 67.299 9.978 1.862 51 HA VAL 7 HA VAL 7 66.684 12.852 1.752 52 HB VAL 7 HB VAL 7 67.529 11.120 4.099 53 HG11 VAL 7 HG11 VAL 7 66.298 13.890 3.958 54 HG12 VAL 7 HG12 VAL 7 67.980 13.543 4.364 55 HG13 VAL 7 HG13 VAL 7 66.684 13.008 5.435 56 HG21 VAL 7 HG21 VAL 7 64.786 12.089 3.240 57 HG22 VAL 7 HG22 VAL 7 65.142 11.176 4.708 58 HG23 VAL 7 HG23 VAL 7 65.359 10.425 3.123 59 H ARG 8 HN ARG 8 69.284 10.530 2.060 60 HA ARG 8 HA ARG 8 71.258 12.606 1.463 61 HB2 ARG 8 HB2 ARG 8 71.613 12.690 3.767 62 HB3 ARG 8 HB1 ARG 8 71.174 11.000 3.999 63 HG2 ARG 8 HG2 ARG 8 73.266 10.218 3.157 64 HG3 ARG 8 HG1 ARG 8 73.676 11.791 2.469 65 HD2 ARG 8 HD2 ARG 8 73.685 12.716 4.823 66 HD3 ARG 8 HD1 ARG 8 73.462 11.071 5.414 67 HE ARG 8 HE ARG 8 75.704 11.064 3.730 68 HH11 ARG 8 HH21 ARG 8 75.940 13.761 5.228 69 HH12 ARG 8 HH22 ARG 8 76.953 13.306 6.554 70 HH21 ARG 8 HH11 ARG 8 76.453 9.909 6.140 71 HH22 ARG 8 HH12 ARG 8 77.232 11.143 7.077 72 H GLY 9 HN GLY 9 72.727 11.865 0.037 73 HA2 GLY 9 HA2 GLY 9 72.574 9.108 -0.833 74 HA3 GLY 9 HA1 GLY 9 73.523 10.398 -1.572 75 H LEU 10 HN LEU 10 75.159 8.572 -1.566 76 HA LEU 10 HA LEU 10 76.307 7.776 0.919 77 HB2 LEU 10 HB2 LEU 10 77.394 7.692 -1.905 78 HB3 LEU 10 HB1 LEU 10 78.162 6.933 -0.513 79 HG LEU 10 HG LEU 10 75.271 6.350 -1.114 80 HD11 LEU 10 HD11 LEU 10 76.089 5.728 -3.217 81 HD12 LEU 10 HD12 LEU 10 76.337 4.232 -2.319 82 HD13 LEU 10 HD13 LEU 10 77.692 5.328 -2.599 83 HD21 LEU 10 HD21 LEU 10 75.993 4.121 -0.120 84 HD22 LEU 10 HD22 LEU 10 76.083 5.487 0.984 85 HD23 LEU 10 HD23 LEU 10 77.550 4.863 0.233 86 H GLU 11 HN GLU 11 78.693 8.238 1.356 87 HA GLU 11 HA GLU 11 79.353 11.069 0.784 88 HB2 GLU 11 HB2 GLU 11 78.294 10.891 3.029 89 HB3 GLU 11 HB1 GLU 11 79.521 9.717 3.492 90 HG2 GLU 11 HG2 GLU 11 81.283 11.351 3.156 91 HG3 GLU 11 HG1 GLU 11 80.119 12.533 2.555 92 H ASN 12 HN ASN 12 81.536 11.520 0.628 93 HA ASN 12 HA ASN 12 83.297 9.505 -0.218 94 HB2 ASN 12 HB2 ASN 12 85.097 11.214 0.166 95 HB3 ASN 12 HB1 ASN 12 83.741 11.827 -0.779 96 HD21 ASN 12 HD21 ASN 12 82.909 13.792 -0.037 97 HD22 ASN 12 HD22 ASN 12 83.061 14.373 1.551 98 H VAL 13 HN VAL 13 84.978 8.421 0.809 99 HA VAL 13 HA VAL 13 85.023 8.535 3.788 100 HB VAL 13 HB VAL 13 84.949 6.057 2.065 101 HG11 VAL 13 HG11 VAL 13 85.573 6.510 4.974 102 HG12 VAL 13 HG12 VAL 13 86.340 5.410 3.828 103 HG13 VAL 13 HG13 VAL 13 84.750 5.030 4.484 104 HG21 VAL 13 HG21 VAL 13 82.761 7.037 2.318 105 HG22 VAL 13 HG22 VAL 13 83.007 7.269 4.044 106 HG23 VAL 13 HG23 VAL 13 82.854 5.641 3.384 107 H GLU 14 HN GLU 14 87.016 8.687 4.626 108 HA GLU 14 HA GLU 14 89.347 7.916 2.946 109 HB2 GLU 14 HB2 GLU 14 89.048 10.370 3.067 110 HB3 GLU 14 HB1 GLU 14 89.120 10.279 4.824 111 HG2 GLU 14 HG2 GLU 14 91.397 9.411 4.723 112 HG3 GLU 14 HG1 GLU 14 91.328 9.371 2.957 113 H ALA 15 HN ALA 15 90.705 6.537 3.878 114 HA ALA 15 HA ALA 15 91.161 6.515 6.732 115 HB1 ALA 15 HB1 ALA 15 89.123 5.183 6.671 116 HB2 ALA 15 HB2 ALA 15 90.493 4.124 7.002 117 HB3 ALA 15 HB3 ALA 15 89.785 4.173 5.388 118 H LEU 16 HN LEU 16 93.046 5.374 7.282 119 HA LEU 16 HA LEU 16 94.881 4.986 5.096 120 HB2 LEU 16 HB2 LEU 16 96.442 4.258 6.956 121 HB3 LEU 16 HB1 LEU 16 95.832 5.908 7.066 122 HG LEU 16 HG LEU 16 94.133 3.854 8.423 123 HD11 LEU 16 HD11 LEU 16 96.874 4.586 9.485 124 HD12 LEU 16 HD12 LEU 16 96.333 2.978 9.006 125 HD13 LEU 16 HD13 LEU 16 95.616 3.767 10.411 126 HD21 LEU 16 HD21 LEU 16 95.286 6.434 9.522 127 HD22 LEU 16 HD22 LEU 16 93.826 5.593 10.037 128 HD23 LEU 16 HD23 LEU 16 93.867 6.415 8.479 129 H GLU 17 HN GLU 17 96.166 3.023 4.867 130 HA GLU 17 HA GLU 17 94.705 0.766 4.248 131 HB2 GLU 17 HB2 GLU 17 97.006 1.285 3.478 132 HB3 GLU 17 HB1 GLU 17 97.609 0.858 5.077 133 HG2 GLU 17 HG2 GLU 17 95.924 -1.083 3.493 134 HG3 GLU 17 HG1 GLU 17 97.660 -0.960 3.223 135 H GLY 18 HN GLY 18 93.981 -0.969 5.287 136 HA2 GLY 18 HA2 GLY 18 93.700 -2.591 6.899 137 HA3 GLY 18 HA1 GLY 18 95.041 -1.893 7.798 138 H GLY 19 HN GLY 19 92.471 0.204 6.798 139 HA2 GLY 19 HA2 GLY 19 91.657 0.577 9.605 140 HA3 GLY 19 HA1 GLY 19 91.363 1.692 8.277 141 H GLU 20 HN GLU 20 89.143 1.816 8.819 142 HA GLU 20 HA GLU 20 87.567 -0.470 7.801 143 HB2 GLU 20 HB2 GLU 20 87.515 -0.558 10.282 144 HB3 GLU 20 HB1 GLU 20 86.873 1.086 10.312 145 HG2 GLU 20 HG2 GLU 20 84.895 0.379 9.060 146 HG3 GLU 20 HG1 GLU 20 85.551 -1.247 8.885 147 H ALA 21 HN ALA 21 85.411 0.166 7.044 148 HA ALA 21 HA ALA 21 85.125 3.074 6.546 149 HB1 ALA 21 HB1 ALA 21 84.283 1.637 4.184 150 HB2 ALA 21 HB2 ALA 21 85.926 1.163 4.592 151 HB3 ALA 21 HB3 ALA 21 85.546 2.856 4.334 152 H LEU 22 HN LEU 22 83.107 3.852 6.522 153 HA LEU 22 HA LEU 22 80.837 1.972 6.589 154 HB2 LEU 22 HB2 LEU 22 81.207 4.259 8.539 155 HB3 LEU 22 HB1 LEU 22 79.859 3.127 8.482 156 HG LEU 22 HG LEU 22 81.855 1.321 8.701 157 HD11 LEU 22 HD11 LEU 22 83.626 2.109 10.174 158 HD12 LEU 22 HD12 LEU 22 82.919 3.724 10.224 159 HD13 LEU 22 HD13 LEU 22 83.617 3.114 8.730 160 HD21 LEU 22 HD21 LEU 22 80.688 2.930 10.995 161 HD22 LEU 22 HD22 LEU 22 81.469 1.357 11.160 162 HD23 LEU 22 HD23 LEU 22 79.971 1.505 10.243 163 H PHE 23 HN PHE 23 79.164 2.596 5.377 164 HA PHE 23 HA PHE 23 79.136 5.375 4.326 165 HB2 PHE 23 HB2 PHE 23 78.420 2.713 3.098 166 HB3 PHE 23 HB1 PHE 23 77.768 4.214 2.449 167 HD1 PHE 23 HD1 PHE 23 79.303 5.979 1.574 168 HD2 PHE 23 HD2 PHE 23 80.737 2.115 2.789 169 HE1 PHE 23 HE1 PHE 23 81.423 6.380 0.356 170 HE2 PHE 23 HE2 PHE 23 82.856 2.525 1.572 171 HZ PHE 23 HZ PHE 23 83.195 4.654 0.355 172 H GLU 24 HN GLU 24 77.643 6.477 5.502 173 HA GLU 24 HA GLU 24 75.162 5.103 6.323 174 HB2 GLU 24 HB2 GLU 24 76.373 7.768 7.088 175 HB3 GLU 24 HB1 GLU 24 74.783 7.228 7.627 176 HG2 GLU 24 HG2 GLU 24 75.738 5.322 8.750 177 HG3 GLU 24 HG1 GLU 24 77.330 5.650 8.061 178 H CYS 25 HN CYS 25 73.740 5.066 4.734 179 HA CYS 25 HA CYS 25 73.109 7.605 3.325 180 HB2 CYS 25 HB2 CYS 25 73.995 5.630 1.956 181 HB3 CYS 25 HB1 CYS 25 72.478 4.823 2.330 182 HG CYS 25 HG CYS 25 71.290 6.303 0.729 183 H GLN 26 HN GLN 26 71.279 8.480 4.189 184 HA GLN 26 HA GLN 26 69.292 6.781 5.495 185 HB2 GLN 26 HB2 GLN 26 69.367 9.778 5.053 186 HB3 GLN 26 HB1 GLN 26 68.102 8.928 5.937 187 HG2 GLN 26 HG2 GLN 26 69.802 8.050 7.514 188 HG3 GLN 26 HG1 GLN 26 71.052 8.929 6.641 189 HE21 GLN 26 HE21 GLN 26 71.642 10.626 7.993 190 HE22 GLN 26 HE22 GLN 26 70.552 11.681 8.752 191 H LEU 27 HN LEU 27 67.588 5.949 4.504 192 HA LEU 27 HA LEU 27 66.697 7.127 1.933 193 HB2 LEU 27 HB2 LEU 27 68.022 4.920 1.863 194 HB3 LEU 27 HB1 LEU 27 66.606 4.185 2.601 195 HG LEU 27 HG LEU 27 66.486 5.811 0.044 196 HD11 LEU 27 HD11 LEU 27 67.885 4.029 -0.567 197 HD12 LEU 27 HD12 LEU 27 66.279 3.448 -1.002 198 HD13 LEU 27 HD13 LEU 27 67.050 2.881 0.481 199 HD21 LEU 27 HD21 LEU 27 64.280 5.656 0.683 200 HD22 LEU 27 HD22 LEU 27 64.529 4.204 1.646 201 HD23 LEU 27 HD23 LEU 27 64.415 4.091 -0.107 202 H SER 28 HN SER 28 64.539 7.573 1.784 203 HA SER 28 HA SER 28 62.843 6.989 4.101 204 HB2 SER 28 HB2 SER 28 62.045 8.500 1.614 205 HB3 SER 28 HB1 SER 28 61.339 8.604 3.223 206 HG SER 28 HG SER 28 62.917 9.877 3.835 207 H GLN 29 HN GLN 29 62.230 4.868 3.995 208 HA GLN 29 HA GLN 29 60.097 4.099 2.370 209 HB2 GLN 29 HB2 GLN 29 62.339 3.916 0.872 210 HB3 GLN 29 HB1 GLN 29 62.393 2.331 1.624 211 HG2 GLN 29 HG2 GLN 29 60.230 3.524 -0.112 212 HG3 GLN 29 HG1 GLN 29 61.164 2.066 -0.399 213 HE21 GLN 29 HE21 GLN 29 58.115 2.750 0.153 214 HE22 GLN 29 HE22 GLN 29 57.679 1.528 1.247 215 HA PRO 30 HA PRO 30 60.554 1.857 6.327 216 HB2 PRO 30 HB2 PRO 30 57.902 0.722 6.024 217 HB3 PRO 30 HB1 PRO 30 58.442 1.970 7.152 218 HG2 PRO 30 HG2 PRO 30 56.805 2.309 4.847 219 HG3 PRO 30 HG1 PRO 30 57.430 3.563 5.923 220 HD2 PRO 30 HD2 PRO 30 58.265 2.943 3.209 221 HD3 PRO 30 HD1 PRO 30 58.792 4.284 4.250 222 H GLU 31 HN GLU 31 59.407 0.429 3.334 223 HA GLU 31 HA GLU 31 60.458 -2.216 4.165 224 HB2 GLU 31 HB2 GLU 31 59.078 -3.114 2.295 225 HB3 GLU 31 HB1 GLU 31 58.110 -2.351 3.557 226 HG2 GLU 31 HG2 GLU 31 57.994 -0.286 2.213 227 HG3 GLU 31 HG1 GLU 31 58.961 -1.056 0.954 228 H VAL 32 HN VAL 32 60.786 -3.345 1.708 229 HA VAL 32 HA VAL 32 61.914 -2.185 -0.422 230 HB VAL 32 HB VAL 32 63.512 -0.880 0.906 231 HG11 VAL 32 HG11 VAL 32 64.773 -1.745 2.662 232 HG12 VAL 32 HG12 VAL 32 64.839 -3.361 1.961 233 HG13 VAL 32 HG13 VAL 32 63.383 -2.816 2.781 234 HG21 VAL 32 HG21 VAL 32 65.531 -1.553 -0.195 235 HG22 VAL 32 HG22 VAL 32 64.205 -2.000 -1.267 236 HG23 VAL 32 HG23 VAL 32 64.997 -3.232 -0.284 237 H ALA 33 HN ALA 33 61.691 -4.012 -1.584 238 HA ALA 33 HA ALA 33 62.568 -6.562 -0.405 239 HB1 ALA 33 HB1 ALA 33 60.315 -6.474 -1.337 240 HB2 ALA 33 HB2 ALA 33 61.334 -7.583 -2.252 241 HB3 ALA 33 HB3 ALA 33 60.970 -5.983 -2.899 242 H ALA 34 HN ALA 34 62.883 -4.832 -3.536 243 HA ALA 34 HA ALA 34 65.362 -6.400 -4.046 244 HB1 ALA 34 HB1 ALA 34 63.545 -6.812 -5.653 245 HB2 ALA 34 HB2 ALA 34 64.915 -6.007 -6.425 246 HB3 ALA 34 HB3 ALA 34 63.471 -5.084 -6.007 247 H HIS 35 HN HIS 35 67.211 -5.388 -4.301 248 HA HIS 35 HA HIS 35 67.398 -2.648 -5.225 249 HB2 HIS 35 HB2 HIS 35 68.981 -2.245 -3.100 250 HB3 HIS 35 HB1 HIS 35 67.250 -1.907 -3.029 251 HD1 HIS 35 HD1 HIS 35 65.753 -4.045 -2.173 252 HD2 HIS 35 HD2 HIS 35 69.800 -4.069 -1.180 253 HE1 HIS 35 HE1 HIS 35 66.003 -5.653 -0.239 254 H THR 36 HN THR 36 69.354 -2.309 -6.277 255 HA THR 36 HA THR 36 71.217 -4.626 -6.315 256 HB THR 36 HB THR 36 70.751 -2.481 -8.408 257 HG1 THR 36 HG1 THR 36 70.390 -5.068 -9.089 258 HG21 THR 36 HG21 THR 36 72.635 -4.832 -8.222 259 HG22 THR 36 HG22 THR 36 73.034 -3.147 -8.545 260 HG23 THR 36 HG23 THR 36 72.192 -4.102 -9.763 261 H TRP 37 HN TRP 37 72.997 -4.365 -5.247 262 HA TRP 37 HA TRP 37 74.209 -1.658 -5.012 263 HB2 TRP 37 HB2 TRP 37 74.154 -4.066 -3.197 264 HB3 TRP 37 HB1 TRP 37 75.507 -2.939 -3.107 265 HD1 TRP 37 HD1 TRP 37 71.629 -2.661 -3.135 266 HE1 TRP 37 HE1 TRP 37 70.962 -0.865 -1.416 267 HE3 TRP 37 HE3 TRP 37 76.255 -1.199 -1.543 268 HZ2 TRP 37 HZ2 TRP 37 72.210 0.934 0.395 269 HZ3 TRP 37 HZ3 TRP 37 76.483 0.560 0.188 270 HH2 TRP 37 HH2 TRP 37 74.467 1.629 1.155 271 H LEU 38 HN LEU 38 75.959 -1.401 -6.314 272 HA LEU 38 HA LEU 38 77.812 -3.664 -6.651 273 HB2 LEU 38 HB2 LEU 38 76.544 -2.078 -8.887 274 HB3 LEU 38 HB1 LEU 38 77.995 -3.057 -9.100 275 HG LEU 38 HG LEU 38 75.318 -4.097 -8.100 276 HD11 LEU 38 HD11 LEU 38 76.637 -4.583 -10.775 277 HD12 LEU 38 HD12 LEU 38 75.385 -3.365 -10.512 278 HD13 LEU 38 HD13 LEU 38 75.022 -5.071 -10.268 279 HD21 LEU 38 HD21 LEU 38 76.587 -6.322 -8.866 280 HD22 LEU 38 HD22 LEU 38 76.821 -5.654 -7.262 281 HD23 LEU 38 HD23 LEU 38 78.019 -5.354 -8.510 282 H LEU 39 HN LEU 39 79.548 -2.845 -5.681 283 HA LEU 39 HA LEU 39 80.393 -0.079 -6.253 284 HB2 LEU 39 HB2 LEU 39 82.237 -1.110 -4.451 285 HB3 LEU 39 HB1 LEU 39 80.813 -0.213 -3.981 286 HG LEU 39 HG LEU 39 79.571 -2.441 -3.930 287 HD11 LEU 39 HD11 LEU 39 81.142 -4.407 -3.552 288 HD12 LEU 39 HD12 LEU 39 82.435 -3.387 -4.148 289 HD13 LEU 39 HD13 LEU 39 81.087 -3.805 -5.204 290 HD21 LEU 39 HD21 LEU 39 81.842 -1.892 -2.001 291 HD22 LEU 39 HD22 LEU 39 80.529 -3.028 -1.690 292 HD23 LEU 39 HD23 LEU 39 80.180 -1.312 -1.877 293 H ASP 40 HN ASP 40 82.935 -2.293 -5.484 294 HA ASP 40 HA ASP 40 84.109 -2.072 -8.034 295 HB2 ASP 40 HB2 ASP 40 85.540 -3.977 -7.344 296 HB3 ASP 40 HB1 ASP 40 85.424 -2.799 -6.038 297 H ASP 41 HN ASP 41 84.266 -4.087 -9.517 298 HA ASP 41 HA ASP 41 81.673 -4.796 -10.305 299 HB2 ASP 41 HB2 ASP 41 82.859 -6.425 -11.851 300 HB3 ASP 41 HB1 ASP 41 83.325 -4.734 -11.988 301 H GLU 42 HN GLU 42 81.883 -5.667 -7.582 302 HA GLU 42 HA GLU 42 81.314 -8.540 -8.019 303 HB2 GLU 42 HB2 GLU 42 83.263 -7.353 -6.077 304 HB3 GLU 42 HB1 GLU 42 82.329 -8.748 -5.544 305 HG2 GLU 42 HG2 GLU 42 84.449 -9.478 -6.538 306 HG3 GLU 42 HG1 GLU 42 83.096 -10.012 -7.533 307 HA PRO 43 HA PRO 43 77.552 -7.383 -5.949 308 HB2 PRO 43 HB2 PRO 43 77.191 -9.937 -4.638 309 HB3 PRO 43 HB1 PRO 43 76.364 -9.329 -6.076 310 HG2 PRO 43 HG2 PRO 43 78.442 -11.319 -5.903 311 HG3 PRO 43 HG1 PRO 43 77.509 -10.813 -7.319 312 HD2 PRO 43 HD2 PRO 43 80.256 -10.266 -6.818 313 HD3 PRO 43 HD1 PRO 43 79.255 -9.582 -8.112 314 H VAL 44 HN VAL 44 76.994 -6.586 -3.890 315 HA VAL 44 HA VAL 44 79.128 -6.652 -1.916 316 HB VAL 44 HB VAL 44 76.484 -5.235 -1.622 317 HG11 VAL 44 HG11 VAL 44 77.853 -3.684 -0.281 318 HG12 VAL 44 HG12 VAL 44 79.295 -4.633 -0.638 319 HG13 VAL 44 HG13 VAL 44 78.013 -5.328 0.337 320 HG21 VAL 44 HG21 VAL 44 77.832 -3.288 -2.660 321 HG22 VAL 44 HG22 VAL 44 77.182 -4.509 -3.747 322 HG23 VAL 44 HG23 VAL 44 78.879 -4.544 -3.308 323 H ARG 45 HN ARG 45 78.986 -8.765 -1.237 324 HA ARG 45 HA ARG 45 77.157 -9.140 0.989 325 HB2 ARG 45 HB2 ARG 45 77.408 -11.147 -1.276 326 HB3 ARG 45 HB1 ARG 45 76.751 -11.537 0.309 327 HG2 ARG 45 HG2 ARG 45 75.599 -9.298 -1.369 328 HG3 ARG 45 HG1 ARG 45 75.063 -10.957 -1.559 329 HD2 ARG 45 HD2 ARG 45 74.584 -10.999 0.921 330 HD3 ARG 45 HD1 ARG 45 74.906 -9.273 0.956 331 HE ARG 45 HE ARG 45 72.877 -10.250 -0.927 332 HH11 ARG 45 HH11 ARG 45 73.749 -7.685 1.070 333 HH12 ARG 45 HH12 ARG 45 72.150 -7.375 1.666 334 HH21 ARG 45 HH21 ARG 45 70.776 -10.246 0.339 335 HH22 ARG 45 HH22 ARG 45 70.488 -8.807 1.255 336 H THR 46 HN THR 46 78.992 -11.646 -0.537 337 HA THR 46 HA THR 46 80.908 -12.751 0.051 338 HB THR 46 HB THR 46 82.817 -11.425 0.298 339 HG1 THR 46 HG1 THR 46 81.309 -9.298 1.359 340 HG21 THR 46 HG21 THR 46 80.909 -9.321 -0.695 341 HG22 THR 46 HG22 THR 46 81.236 -10.772 -1.643 342 HG23 THR 46 HG23 THR 46 82.549 -9.668 -1.237 343 H SER 47 HN SER 47 82.334 -11.216 2.590 344 HA SER 47 HA SER 47 80.711 -12.516 4.680 345 HB2 SER 47 HB2 SER 47 82.592 -14.002 3.668 346 HB3 SER 47 HB1 SER 47 83.684 -12.954 4.568 347 HG SER 47 HG SER 47 82.348 -15.003 5.479 348 H GLU 48 HN GLU 48 83.176 -12.241 6.448 349 HA GLU 48 HA GLU 48 82.513 -9.881 7.729 350 HB2 GLU 48 HB2 GLU 48 85.128 -11.391 7.656 351 HB3 GLU 48 HB1 GLU 48 84.848 -10.016 8.719 352 HG2 GLU 48 HG2 GLU 48 84.290 -11.837 10.084 353 HG3 GLU 48 HG1 GLU 48 82.715 -11.335 9.476 354 H ASN 49 HN ASN 49 85.095 -10.409 5.347 355 HA ASN 49 HA ASN 49 86.140 -7.803 5.391 356 HB2 ASN 49 HB2 ASN 49 87.421 -9.518 4.332 357 HB3 ASN 49 HB1 ASN 49 86.146 -9.841 3.165 358 HD21 ASN 49 HD21 ASN 49 88.714 -7.540 4.040 359 HD22 ASN 49 HD22 ASN 49 88.696 -6.704 2.560 360 H ALA 50 HN ALA 50 83.049 -8.593 4.552 361 HA ALA 50 HA ALA 50 82.381 -6.028 3.644 362 HB1 ALA 50 HB1 ALA 50 81.808 -7.005 1.179 363 HB2 ALA 50 HB2 ALA 50 83.254 -7.947 1.543 364 HB3 ALA 50 HB3 ALA 50 83.327 -6.188 1.547 365 H GLU 51 HN GLU 51 80.158 -5.813 3.862 366 HA GLU 51 HA GLU 51 78.270 -7.824 3.192 367 HB2 GLU 51 HB2 GLU 51 79.248 -8.990 5.166 368 HB3 GLU 51 HB1 GLU 51 78.849 -7.593 6.166 369 HG2 GLU 51 HG2 GLU 51 76.469 -7.900 5.706 370 HG3 GLU 51 HG1 GLU 51 76.827 -9.234 4.607 371 H VAL 52 HN VAL 52 76.204 -6.889 3.057 372 HA VAL 52 HA VAL 52 75.977 -4.123 3.880 373 HB VAL 52 HB VAL 52 73.895 -5.874 2.549 374 HG11 VAL 52 HG11 VAL 52 73.317 -3.557 3.451 375 HG12 VAL 52 HG12 VAL 52 72.991 -3.820 1.736 376 HG13 VAL 52 HG13 VAL 52 74.422 -2.913 2.234 377 HG21 VAL 52 HG21 VAL 52 74.795 -5.194 0.393 378 HG22 VAL 52 HG22 VAL 52 76.057 -5.999 1.320 379 HG23 VAL 52 HG23 VAL 52 76.062 -4.241 1.177 380 H VAL 53 HN VAL 53 74.631 -3.386 5.416 381 HA VAL 53 HA VAL 53 72.821 -5.215 6.823 382 HB VAL 53 HB VAL 53 74.810 -5.515 8.115 383 HG11 VAL 53 HG11 VAL 53 76.161 -3.607 8.904 384 HG12 VAL 53 HG12 VAL 53 75.095 -2.503 8.040 385 HG13 VAL 53 HG13 VAL 53 76.089 -3.650 7.143 386 HG21 VAL 53 HG21 VAL 53 72.699 -4.912 9.386 387 HG22 VAL 53 HG22 VAL 53 73.320 -3.263 9.493 388 HG23 VAL 53 HG23 VAL 53 74.200 -4.591 10.255 389 H PHE 54 HN PHE 54 71.117 -4.114 7.857 390 HA PHE 54 HA PHE 54 71.106 -1.168 7.661 391 HB2 PHE 54 HB2 PHE 54 68.793 -1.195 6.808 392 HB3 PHE 54 HB1 PHE 54 69.916 -1.943 5.671 393 HD1 PHE 54 HD1 PHE 54 69.936 -4.360 5.327 394 HD2 PHE 54 HD2 PHE 54 67.125 -2.529 8.012 395 HE1 PHE 54 HE1 PHE 54 68.579 -6.433 5.322 396 HE2 PHE 54 HE2 PHE 54 65.775 -4.618 8.021 397 HZ PHE 54 HZ PHE 54 66.499 -6.560 6.663 398 H PHE 55 HN PHE 55 68.742 -0.518 8.670 399 HA PHE 55 HA PHE 55 68.060 -2.139 10.968 400 HB2 PHE 55 HB2 PHE 55 69.273 0.603 11.403 401 HB3 PHE 55 HB1 PHE 55 68.648 -0.482 12.646 402 HD1 PHE 55 HD1 PHE 55 69.845 -2.561 13.228 403 HD2 PHE 55 HD2 PHE 55 71.420 0.203 10.346 404 HE1 PHE 55 HE1 PHE 55 72.062 -3.665 13.378 405 HE2 PHE 55 HE2 PHE 55 73.628 -0.912 10.488 406 HZ PHE 55 HZ PHE 55 73.951 -2.839 12.007 407 H GLU 56 HN GLU 56 66.351 -1.003 12.295 408 HA GLU 56 HA GLU 56 64.280 -0.041 12.405 409 HB2 GLU 56 HB2 GLU 56 65.770 2.030 10.797 410 HB3 GLU 56 HB1 GLU 56 64.130 2.279 11.381 411 HG2 GLU 56 HG2 GLU 56 66.479 1.563 13.167 412 HG3 GLU 56 HG1 GLU 56 65.913 3.210 12.905 413 H ASN 57 HN ASN 57 64.697 -1.993 10.465 414 HA ASN 57 HA ASN 57 63.618 -3.047 8.762 415 HB2 ASN 57 HB2 ASN 57 61.602 -0.846 9.231 416 HB3 ASN 57 HB1 ASN 57 61.347 -2.201 8.139 417 HD21 ASN 57 HD21 ASN 57 59.643 -1.868 10.392 418 HD22 ASN 57 HD22 ASN 57 59.952 -3.119 11.496 419 H GLY 58 HN GLY 58 65.609 -1.023 8.189 420 HA2 GLY 58 HA2 GLY 58 66.556 -0.643 6.031 421 HA3 GLY 58 HA1 GLY 58 64.948 -0.610 5.344 422 H LEU 59 HN LEU 59 64.831 1.360 8.052 423 HA LEU 59 HA LEU 59 64.554 3.721 6.538 424 HB2 LEU 59 HB2 LEU 59 63.780 3.213 8.986 425 HB3 LEU 59 HB1 LEU 59 65.371 3.816 9.432 426 HG LEU 59 HG LEU 59 64.889 5.910 8.133 427 HD11 LEU 59 HD11 LEU 59 62.168 6.105 7.952 428 HD12 LEU 59 HD12 LEU 59 62.395 4.408 7.538 429 HD13 LEU 59 HD13 LEU 59 63.215 5.659 6.609 430 HD21 LEU 59 HD21 LEU 59 63.129 5.093 10.449 431 HD22 LEU 59 HD22 LEU 59 63.137 6.740 9.819 432 HD23 LEU 59 HD23 LEU 59 64.612 6.045 10.489 433 H ARG 60 HN ARG 60 67.321 2.096 7.667 434 HA ARG 60 HA ARG 60 69.062 4.260 6.656 435 HB2 ARG 60 HB2 ARG 60 69.302 2.795 9.281 436 HB3 ARG 60 HB1 ARG 60 70.655 3.652 8.541 437 HG2 ARG 60 HG2 ARG 60 69.363 5.747 8.563 438 HG3 ARG 60 HG1 ARG 60 67.972 4.896 9.231 439 HD2 ARG 60 HD2 ARG 60 69.215 6.051 11.013 440 HD3 ARG 60 HD1 ARG 60 69.267 4.309 11.232 441 HE ARG 60 HE ARG 60 71.557 4.336 10.744 442 HH11 ARG 60 HH21 ARG 60 70.064 7.417 10.242 443 HH12 ARG 60 HH22 ARG 60 71.559 8.272 10.099 444 HH21 ARG 60 HH11 ARG 60 73.516 5.425 10.468 445 HH22 ARG 60 HH12 ARG 60 73.524 7.137 10.199 446 H HIS 61 HN HIS 61 70.985 3.530 5.676 447 HA HIS 61 HA HIS 61 71.302 0.591 5.380 448 HB2 HIS 61 HB2 HIS 61 71.415 2.700 3.208 449 HB3 HIS 61 HB1 HIS 61 72.014 1.052 3.005 450 HD1 HIS 61 HD1 HIS 61 68.870 3.042 3.328 451 HD2 HIS 61 HD2 HIS 61 69.970 -0.965 3.003 452 HE1 HIS 61 HE1 HIS 61 66.735 1.744 2.924 453 H LEU 62 HN LEU 62 73.093 0.160 6.467 454 HA LEU 62 HA LEU 62 75.484 1.875 6.064 455 HB2 LEU 62 HB2 LEU 62 74.552 1.690 8.393 456 HB3 LEU 62 HB1 LEU 62 74.928 -0.024 8.355 457 HG LEU 62 HG LEU 62 77.059 2.054 7.770 458 HD11 LEU 62 HD11 LEU 62 77.645 1.666 10.287 459 HD12 LEU 62 HD12 LEU 62 75.958 1.178 10.437 460 HD13 LEU 62 HD13 LEU 62 76.358 2.800 9.879 461 HD21 LEU 62 HD21 LEU 62 78.431 0.131 8.947 462 HD22 LEU 62 HD22 LEU 62 77.932 -0.080 7.275 463 HD23 LEU 62 HD23 LEU 62 77.030 -0.868 8.569 464 H LEU 63 HN LEU 63 77.044 1.026 4.906 465 HA LEU 63 HA LEU 63 77.193 -1.924 4.549 466 HB2 LEU 63 HB2 LEU 63 76.776 -0.937 2.431 467 HB3 LEU 63 HB1 LEU 63 77.869 0.407 2.744 468 HG LEU 63 HG LEU 63 79.808 -1.050 2.575 469 HD11 LEU 63 HD11 LEU 63 79.311 -3.504 1.860 470 HD12 LEU 63 HD12 LEU 63 77.715 -3.224 2.554 471 HD13 LEU 63 HD13 LEU 63 79.155 -3.088 3.563 472 HD21 LEU 63 HD21 LEU 63 77.761 -1.401 0.377 473 HD22 LEU 63 HD22 LEU 63 79.413 -1.991 0.229 474 HD23 LEU 63 HD23 LEU 63 79.111 -0.269 0.438 475 H LEU 64 HN LEU 64 78.834 -2.761 5.853 476 HA LEU 64 HA LEU 64 81.095 -1.003 6.470 477 HB2 LEU 64 HB2 LEU 64 81.514 -2.392 8.314 478 HB3 LEU 64 HB1 LEU 64 79.755 -2.323 8.208 479 HG LEU 64 HG LEU 64 80.236 -4.491 6.616 480 HD11 LEU 64 HD11 LEU 64 82.182 -4.998 8.856 481 HD12 LEU 64 HD12 LEU 64 82.752 -4.176 7.408 482 HD13 LEU 64 HD13 LEU 64 82.052 -5.789 7.287 483 HD21 LEU 64 HD21 LEU 64 79.981 -4.567 9.640 484 HD22 LEU 64 HD22 LEU 64 79.597 -5.888 8.537 485 HD23 LEU 64 HD23 LEU 64 78.641 -4.404 8.501 486 H LEU 65 HN LEU 65 83.123 -1.388 6.032 487 HA LEU 65 HA LEU 65 83.897 -3.647 4.280 488 HB2 LEU 65 HB2 LEU 65 84.613 -0.727 4.229 489 HB3 LEU 65 HB1 LEU 65 85.795 -1.900 3.670 490 HG LEU 65 HG LEU 65 84.297 -0.912 1.869 491 HD11 LEU 65 HD11 LEU 65 83.789 -3.873 1.945 492 HD12 LEU 65 HD12 LEU 65 85.452 -3.295 1.884 493 HD13 LEU 65 HD13 LEU 65 84.323 -2.853 0.610 494 HD21 LEU 65 HD21 LEU 65 82.021 -1.481 1.713 495 HD22 LEU 65 HD22 LEU 65 82.229 -1.077 3.416 496 HD23 LEU 65 HD23 LEU 65 82.160 -2.763 2.910 497 H LYS 66 HN LYS 66 86.401 -4.059 4.591 498 HA LYS 66 HA LYS 66 87.520 -3.209 7.092 499 HB2 LYS 66 HB2 LYS 66 86.524 -6.053 6.846 500 HB3 LYS 66 HB1 LYS 66 87.881 -5.646 7.888 501 HG2 LYS 66 HG2 LYS 66 86.346 -3.884 8.956 502 HG3 LYS 66 HG1 LYS 66 85.020 -4.667 8.098 503 HD2 LYS 66 HD2 LYS 66 86.903 -6.195 9.911 504 HD3 LYS 66 HD1 LYS 66 85.432 -5.434 10.505 505 HE2 LYS 66 HE2 LYS 66 84.134 -6.751 8.811 506 HE3 LYS 66 HE1 LYS 66 85.626 -7.599 8.397 507 HZ1 LYS 66 HZ1 LYS 66 85.824 -8.259 10.740 508 HZ2 LYS 66 HZ2 LYS 66 84.399 -8.856 10.034 509 HZ3 LYS 66 HZ3 LYS 66 84.338 -7.517 11.075 510 H ASN 67 HN ASN 67 89.629 -4.616 7.462 511 HA ASN 67 HA ASN 67 91.789 -4.794 6.586 512 HB2 ASN 67 HB2 ASN 67 90.181 -6.732 4.911 513 HB3 ASN 67 HB1 ASN 67 91.941 -6.723 5.014 514 HD21 ASN 67 HD21 ASN 67 89.935 -8.799 5.945 515 HD22 ASN 67 HD22 ASN 67 90.274 -9.031 7.594 516 H LEU 68 HN LEU 68 90.860 -2.521 5.618 517 HA LEU 68 HA LEU 68 90.515 -2.238 2.865 518 HB2 LEU 68 HB2 LEU 68 91.833 -0.243 4.707 519 HB3 LEU 68 HB1 LEU 68 91.013 0.087 3.185 520 HG LEU 68 HG LEU 68 89.714 -1.022 5.684 521 HD11 LEU 68 HD11 LEU 68 88.461 1.196 5.481 522 HD12 LEU 68 HD12 LEU 68 89.681 1.669 4.300 523 HD13 LEU 68 HD13 LEU 68 90.152 1.315 5.962 524 HD21 LEU 68 HD21 LEU 68 87.610 -0.443 4.198 525 HD22 LEU 68 HD22 LEU 68 88.451 -1.966 3.930 526 HD23 LEU 68 HD23 LEU 68 88.739 -0.602 2.854 527 H ARG 69 HN ARG 69 91.837 -1.683 1.176 528 HA ARG 69 HA ARG 69 94.765 -1.836 1.503 529 HB2 ARG 69 HB2 ARG 69 93.126 -3.389 -0.535 530 HB3 ARG 69 HB1 ARG 69 94.882 -3.311 -0.512 531 HG2 ARG 69 HG2 ARG 69 93.344 -4.308 1.887 532 HG3 ARG 69 HG1 ARG 69 93.723 -5.376 0.542 533 HD2 ARG 69 HD2 ARG 69 95.741 -3.808 2.171 534 HD3 ARG 69 HD1 ARG 69 95.438 -5.533 2.293 535 HE ARG 69 HE ARG 69 96.065 -4.946 -0.385 536 HH11 ARG 69 HH21 ARG 69 97.441 -5.475 2.745 537 HH12 ARG 69 HH22 ARG 69 99.073 -5.532 2.171 538 HH21 ARG 69 HH11 ARG 69 98.240 -4.824 -1.108 539 HH22 ARG 69 HH12 ARG 69 99.518 -5.208 -0.003 540 HA PRO 70 HA PRO 70 94.527 1.700 -1.182 541 HB2 PRO 70 HB2 PRO 70 96.656 0.934 -2.993 542 HB3 PRO 70 HB1 PRO 70 96.728 2.108 -1.670 543 HG2 PRO 70 HG2 PRO 70 97.800 -0.581 -1.768 544 HG3 PRO 70 HG1 PRO 70 98.039 0.659 -0.533 545 HD2 PRO 70 HD2 PRO 70 96.508 -1.706 -0.255 546 HD3 PRO 70 HD1 PRO 70 96.513 -0.334 0.866 547 H GLN 71 HN GLN 71 95.092 -1.425 -2.722 548 HA GLN 71 HA GLN 71 94.070 -0.901 -5.252 549 HB2 GLN 71 HB2 GLN 71 95.264 -2.937 -4.806 550 HB3 GLN 71 HB1 GLN 71 94.046 -3.460 -3.643 551 HG2 GLN 71 HG2 GLN 71 93.800 -4.585 -5.847 552 HG3 GLN 71 HG1 GLN 71 92.376 -3.639 -5.441 553 HE21 GLN 71 HE21 GLN 71 94.840 -4.111 -7.778 554 HE22 GLN 71 HE22 GLN 71 94.485 -2.770 -8.753 555 H ASP 72 HN ASP 72 92.308 -2.348 -2.488 556 HA ASP 72 HA ASP 72 89.877 -2.717 -3.608 557 HB2 ASP 72 HB2 ASP 72 90.592 -3.255 -1.271 558 HB3 ASP 72 HB1 ASP 72 90.282 -1.567 -0.854 559 H SER 73 HN SER 73 91.157 0.471 -2.485 560 HA SER 73 HA SER 73 88.767 1.850 -2.533 561 HB2 SER 73 HB2 SER 73 91.585 2.684 -3.198 562 HB3 SER 73 HB1 SER 73 90.241 3.825 -3.262 563 HG SER 73 HG SER 73 91.301 3.743 -1.204 564 H CYS 74 HN CYS 74 87.503 2.680 -4.015 565 HA CYS 74 HA CYS 74 88.130 3.141 -6.733 566 HB2 CYS 74 HB2 CYS 74 88.073 0.537 -6.509 567 HB3 CYS 74 HB1 CYS 74 86.328 0.751 -6.418 568 HG CYS 74 HG CYS 74 87.040 0.497 -8.951 569 H ARG 75 HN ARG 75 85.476 2.311 -7.670 570 HA ARG 75 HA ARG 75 83.933 4.577 -6.658 571 HB2 ARG 75 HB2 ARG 75 84.158 4.254 -9.082 572 HB3 ARG 75 HB1 ARG 75 83.410 2.666 -8.952 573 HG2 ARG 75 HG2 ARG 75 81.356 3.763 -8.031 574 HG3 ARG 75 HG1 ARG 75 82.118 5.330 -8.303 575 HD2 ARG 75 HD2 ARG 75 81.602 3.242 -10.431 576 HD3 ARG 75 HD1 ARG 75 80.606 4.676 -10.149 577 HE ARG 75 HE ARG 75 83.252 4.608 -11.384 578 HH11 ARG 75 HH11 ARG 75 80.459 6.217 -11.678 579 HH12 ARG 75 HH12 ARG 75 81.076 7.827 -11.525 580 HH21 ARG 75 HH21 ARG 75 84.207 6.794 -10.418 581 HH22 ARG 75 HH22 ARG 75 83.207 8.156 -10.803 582 H VAL 76 HN VAL 76 81.982 4.471 -5.675 583 HA VAL 76 HA VAL 76 80.919 1.799 -4.979 584 HB VAL 76 HB VAL 76 81.013 4.318 -3.304 585 HG11 VAL 76 HG11 VAL 76 78.885 3.324 -2.860 586 HG12 VAL 76 HG12 VAL 76 79.943 2.782 -1.559 587 HG13 VAL 76 HG13 VAL 76 79.558 1.694 -2.896 588 HG21 VAL 76 HG21 VAL 76 82.301 2.881 -1.749 589 HG22 VAL 76 HG22 VAL 76 83.104 3.025 -3.313 590 HG23 VAL 76 HG23 VAL 76 82.211 1.556 -2.913 591 H THR 77 HN THR 77 78.859 1.470 -5.630 592 HA THR 77 HA THR 77 77.163 3.822 -6.227 593 HB THR 77 HB THR 77 77.488 1.437 -8.063 594 HG1 THR 77 HG1 THR 77 78.442 3.085 -9.411 595 HG21 THR 77 HG21 THR 77 75.243 2.449 -8.119 596 HG22 THR 77 HG22 THR 77 76.125 2.818 -9.602 597 HG23 THR 77 HG23 THR 77 75.963 4.042 -8.346 598 H PHE 78 HN PHE 78 75.156 3.687 -5.538 599 HA PHE 78 HA PHE 78 74.029 1.056 -4.756 600 HB2 PHE 78 HB2 PHE 78 74.569 2.070 -2.694 601 HB3 PHE 78 HB1 PHE 78 74.136 3.674 -3.263 602 HD1 PHE 78 HD2 PHE 78 72.144 0.501 -3.555 603 HD2 PHE 78 HD1 PHE 78 72.523 4.362 -1.709 604 HE1 PHE 78 HE2 PHE 78 69.920 0.223 -2.505 605 HE2 PHE 78 HE1 PHE 78 70.303 4.084 -0.663 606 HZ PHE 78 HZ PHE 78 68.995 2.020 -1.059 607 H LEU 79 HN LEU 79 72.351 0.663 -6.071 608 HA LEU 79 HA LEU 79 70.818 2.935 -7.205 609 HB2 LEU 79 HB2 LEU 79 72.153 1.347 -8.698 610 HB3 LEU 79 HB1 LEU 79 70.968 0.116 -8.278 611 HG LEU 79 HG LEU 79 70.144 2.805 -9.408 612 HD11 LEU 79 HD11 LEU 79 69.997 1.644 -11.615 613 HD12 LEU 79 HD12 LEU 79 70.838 0.266 -10.900 614 HD13 LEU 79 HD13 LEU 79 71.654 1.824 -11.035 615 HD21 LEU 79 HD21 LEU 79 68.219 1.767 -8.575 616 HD22 LEU 79 HD22 LEU 79 68.793 0.147 -8.965 617 HD23 LEU 79 HD23 LEU 79 68.222 1.213 -10.244 618 H ALA 80 HN ALA 80 69.246 3.131 -5.582 619 HA ALA 80 HA ALA 80 67.402 0.821 -5.263 620 HB1 ALA 80 HB1 ALA 80 66.589 2.368 -3.272 621 HB2 ALA 80 HB2 ALA 80 68.205 3.059 -3.430 622 HB3 ALA 80 HB3 ALA 80 68.010 1.346 -3.084 623 H GLY 81 HN GLY 81 66.018 1.091 -6.948 624 HA2 GLY 81 HA2 GLY 81 64.408 2.046 -8.308 625 HA3 GLY 81 HA1 GLY 81 63.837 2.758 -6.801 626 H ASP 82 HN ASP 82 63.118 4.522 -8.181 627 HA ASP 82 HA ASP 82 64.469 6.167 -9.866 628 HB2 ASP 82 HB2 ASP 82 62.433 6.851 -7.744 629 HB3 ASP 82 HB1 ASP 82 62.944 7.980 -8.999 630 H MET 83 HN MET 83 65.616 5.590 -6.796 631 HA MET 83 HA MET 83 66.936 8.249 -6.637 632 HB2 MET 83 HB2 MET 83 66.607 6.238 -4.406 633 HB3 MET 83 HB1 MET 83 67.199 7.892 -4.296 634 HG2 MET 83 HG2 MET 83 65.067 8.500 -3.821 635 HG3 MET 83 HG1 MET 83 64.682 8.186 -5.500 636 HE1 MET 83 HE1 MET 83 64.707 7.169 -1.934 637 HE2 MET 83 HE2 MET 83 65.503 5.664 -2.374 638 HE3 MET 83 HE3 MET 83 63.848 5.636 -1.797 639 H VAL 84 HN VAL 84 69.077 8.292 -7.035 640 HA VAL 84 HA VAL 84 70.654 5.818 -6.614 641 HB VAL 84 HB VAL 84 71.894 6.252 -8.653 642 HG11 VAL 84 HG11 VAL 84 69.709 4.979 -8.743 643 HG12 VAL 84 HG12 VAL 84 70.182 5.717 -10.272 644 HG13 VAL 84 HG13 VAL 84 68.934 6.466 -9.277 645 HG21 VAL 84 HG21 VAL 84 70.145 8.714 -8.762 646 HG22 VAL 84 HG22 VAL 84 70.950 8.081 -10.198 647 HG23 VAL 84 HG23 VAL 84 71.905 8.622 -8.816 648 H THR 85 HN THR 85 72.404 6.099 -5.430 649 HA THR 85 HA THR 85 73.506 8.832 -5.015 650 HB THR 85 HB THR 85 73.771 8.403 -2.693 651 HG1 THR 85 HG1 THR 85 73.051 5.736 -2.806 652 HG21 THR 85 HG21 THR 85 71.604 7.297 -1.925 653 HG22 THR 85 HG22 THR 85 71.225 7.029 -3.616 654 HG23 THR 85 HG23 THR 85 71.411 8.672 -3.008 655 H SER 86 HN SER 86 75.799 8.984 -5.021 656 HA SER 86 HA SER 86 77.383 6.528 -5.119 657 HB2 SER 86 HB2 SER 86 77.393 8.445 -7.454 658 HB3 SER 86 HB1 SER 86 78.397 7.010 -7.273 659 HG SER 86 HG SER 86 75.670 6.653 -6.953 660 H ALA 87 HN ALA 87 79.280 6.807 -4.116 661 HA ALA 87 HA ALA 87 80.558 9.474 -4.065 662 HB1 ALA 87 HB1 ALA 87 79.278 9.339 -2.007 663 HB2 ALA 87 HB2 ALA 87 80.988 9.142 -1.623 664 HB3 ALA 87 HB3 ALA 87 79.931 7.738 -1.675 665 H PHE 88 HN PHE 88 82.829 9.411 -3.757 666 HA PHE 88 HA PHE 88 84.057 7.005 -4.735 667 HB2 PHE 88 HB2 PHE 88 85.239 9.631 -3.822 668 HB3 PHE 88 HB1 PHE 88 86.163 8.319 -4.553 669 HD1 PHE 88 HD1 PHE 88 85.488 7.508 -6.905 670 HD2 PHE 88 HD2 PHE 88 84.048 11.160 -5.156 671 HE1 PHE 88 HE1 PHE 88 84.837 8.331 -9.153 672 HE2 PHE 88 HE2 PHE 88 83.392 11.980 -7.395 673 HZ PHE 88 HZ PHE 88 83.783 10.564 -9.402 674 H LEU 89 HN LEU 89 86.041 6.189 -3.783 675 HA LEU 89 HA LEU 89 86.010 6.064 -0.833 676 HB2 LEU 89 HB2 LEU 89 85.060 3.973 -1.696 677 HB3 LEU 89 HB1 LEU 89 86.423 3.780 -2.797 678 HG LEU 89 HG LEU 89 87.963 3.571 -0.899 679 HD11 LEU 89 HD11 LEU 89 87.147 4.900 0.834 680 HD12 LEU 89 HD12 LEU 89 86.731 3.294 1.422 681 HD13 LEU 89 HD13 LEU 89 85.499 4.299 0.663 682 HD21 LEU 89 HD21 LEU 89 87.372 1.385 -0.287 683 HD22 LEU 89 HD22 LEU 89 86.472 1.607 -1.783 684 HD23 LEU 89 HD23 LEU 89 85.650 1.757 -0.228 685 H THR 90 HN THR 90 88.028 6.331 0.068 686 HA THR 90 HA THR 90 90.372 6.220 -1.729 687 HB THR 90 HB THR 90 89.685 8.533 0.099 688 HG1 THR 90 HG1 THR 90 90.158 9.410 -2.230 689 HG21 THR 90 HG21 THR 90 92.146 7.826 -1.497 690 HG22 THR 90 HG22 THR 90 92.040 8.207 0.222 691 HG23 THR 90 HG23 THR 90 91.797 9.473 -0.978 692 H VAL 91 HN VAL 91 91.918 5.041 -0.908 693 HA VAL 91 HA VAL 91 92.425 5.074 1.980 694 HB VAL 91 HB VAL 91 92.174 2.510 0.384 695 HG11 VAL 91 HG11 VAL 91 92.406 2.802 3.383 696 HG12 VAL 91 HG12 VAL 91 93.841 2.688 2.366 697 HG13 VAL 91 HG13 VAL 91 92.682 1.373 2.391 698 HG21 VAL 91 HG21 VAL 91 89.975 3.520 0.774 699 HG22 VAL 91 HG22 VAL 91 90.356 3.744 2.478 700 HG23 VAL 91 HG23 VAL 91 90.172 2.118 1.823 701 H ARG 92 HN ARG 92 94.584 5.250 2.370 702 HA ARG 92 HA ARG 92 96.428 4.614 0.128 703 HB2 ARG 92 HB2 ARG 92 97.763 6.532 0.813 704 HB3 ARG 92 HB1 ARG 92 96.112 7.043 0.463 705 HG2 ARG 92 HG2 ARG 92 95.587 6.938 2.891 706 HG3 ARG 92 HG1 ARG 92 97.269 6.520 3.223 707 HD2 ARG 92 HD2 ARG 92 97.982 8.645 2.141 708 HD3 ARG 92 HD1 ARG 92 96.292 9.060 1.888 709 HE ARG 92 HE ARG 92 96.089 9.532 4.178 710 HH11 ARG 92 HH21 ARG 92 97.525 7.249 5.407 711 HH12 ARG 92 HH22 ARG 92 98.940 7.994 6.073 712 HH21 ARG 92 HH11 ARG 92 98.682 10.838 4.106 713 HH22 ARG 92 HH12 ARG 92 99.610 10.019 5.317 714 H GLY 93 HN GLY 93 98.614 4.106 0.725 715 HA2 GLY 93 HA2 GLY 93 99.241 3.477 3.478 716 HA3 GLY 93 HA1 GLY 93 99.007 2.061 2.462 717 H GLY 94 HN GLY 94 101.116 4.645 3.313 718 HA2 GLY 94 HA2 GLY 94 102.906 4.327 1.061 719 HA3 GLY 94 HA1 GLY 94 103.177 5.332 2.479 720 H LEU 95 HN LEU 95 104.410 2.854 0.849 721 HA LEU 95 HA LEU 95 105.374 1.319 3.191 722 HB2 LEU 95 HB2 LEU 95 104.943 0.677 0.284 723 HB3 LEU 95 HB1 LEU 95 106.165 -0.223 1.177 724 HG LEU 95 HG LEU 95 104.379 -0.744 2.902 725 HD11 LEU 95 HD11 LEU 95 102.649 0.505 0.749 726 HD12 LEU 95 HD12 LEU 95 102.763 0.984 2.437 727 HD13 LEU 95 HD13 LEU 95 102.016 -0.550 2.011 728 HD21 LEU 95 HD21 LEU 95 104.136 -1.650 0.027 729 HD22 LEU 95 HD22 LEU 95 103.206 -2.389 1.333 730 HD23 LEU 95 HD23 LEU 95 104.967 -2.459 1.358 731 H GLU 96 HN GLU 96 107.434 1.541 3.790 732 HA GLU 96 HA GLU 96 109.133 3.408 2.413 733 HB2 GLU 96 HB2 GLU 96 109.113 3.254 4.862 734 HB3 GLU 96 HB1 GLU 96 109.687 1.590 4.769 735 HG2 GLU 96 HG2 GLU 96 111.770 2.307 3.745 736 HG3 GLU 96 HG1 GLU 96 111.196 3.972 3.652 737 H HIS 97 HN HIS 97 110.450 0.389 3.654 738 HA HIS 97 HA HIS 97 110.961 -0.685 1.006 739 HB2 HIS 97 HB2 HIS 97 112.735 1.084 1.368 740 HB3 HIS 97 HB1 HIS 97 113.323 0.112 2.721 741 HD1 HIS 97 HD1 HIS 97 112.214 -0.854 -0.807 742 HD2 HIS 97 HD2 HIS 97 115.498 -1.299 1.720 743 HE1 HIS 97 HE1 HIS 97 113.885 -2.286 -2.055 744 H HIS 98 HN HIS 98 111.750 -0.758 4.462 745 HA HIS 98 HA HIS 98 111.789 -3.729 4.378 746 HB2 HIS 98 HB2 HIS 98 113.013 -1.792 6.367 747 HB3 HIS 98 HB1 HIS 98 113.038 -3.549 6.523 748 HD1 HIS 98 HD1 HIS 98 115.692 -2.014 6.285 749 HD2 HIS 98 HD2 HIS 98 113.658 -3.571 2.999 750 HE1 HIS 98 HE1 HIS 98 117.407 -2.280 4.441 751 H HIS 99 HN HIS 99 110.386 -4.856 5.643 752 HA HIS 99 HA HIS 99 108.421 -3.290 7.228 753 HB2 HIS 99 HB2 HIS 99 108.103 -5.989 5.883 754 HB3 HIS 99 HB1 HIS 99 106.870 -5.164 6.840 755 HD1 HIS 99 HD1 HIS 99 108.645 -5.020 3.543 756 HD2 HIS 99 HD2 HIS 99 105.692 -2.889 5.574 757 HE1 HIS 99 HE1 HIS 99 107.593 -3.459 1.849 758 H HIS 100 HN HIS 100 108.840 -3.413 9.314 759 HA HIS 100 HA HIS 100 110.136 -5.820 10.420 760 HB2 HIS 100 HB2 HIS 100 109.667 -3.074 11.609 761 HB3 HIS 100 HB1 HIS 100 110.438 -4.413 12.456 762 HD1 HIS 100 HD1 HIS 100 112.545 -5.507 10.866 763 HD2 HIS 100 HD2 HIS 100 111.537 -1.491 10.390 764 HE1 HIS 100 HE1 HIS 100 114.548 -4.384 9.788 765 H HIS 101 HN HIS 101 108.486 -7.287 10.575 766 HA HIS 101 HA HIS 101 106.624 -8.330 11.423 767 HB2 HIS 101 HB2 HIS 101 107.366 -6.490 13.705 768 HB3 HIS 101 HB1 HIS 101 106.083 -7.695 13.829 769 HD1 HIS 101 HD1 HIS 101 109.386 -7.420 14.817 770 HD2 HIS 101 HD2 HIS 101 107.413 -10.321 12.569 771 HE1 HIS 101 HE1 HIS 101 110.831 -9.496 14.907 772 H HIS 102 HN HIS 102 104.752 -8.010 10.437 773 HA HIS 102 HA HIS 102 102.929 -5.990 11.344 774 HB2 HIS 102 HB2 HIS 102 102.738 -4.742 9.287 775 HB3 HIS 102 HB1 HIS 102 104.432 -4.728 9.774 776 HD1 HIS 102 HD1 HIS 102 105.776 -6.991 8.708 777 HD2 HIS 102 HD2 HIS 102 102.495 -5.466 6.646 778 HE1 HIS 102 HE1 HIS 102 106.003 -7.789 6.315 Start of MODEL 4 1 H1 THR 1 HT1 THR 1 56.878 -0.890 -2.242 2 H2 THR 1 HT2 THR 1 55.467 -1.120 -3.162 3 H3 THR 1 HT3 THR 1 55.401 -0.260 -1.697 4 HA THR 1 HA THR 1 57.134 1.272 -2.861 5 HB THR 1 HB THR 1 56.584 1.424 -5.300 6 HG1 THR 1 HG1 THR 1 55.024 0.245 -6.018 7 HG21 THR 1 HG21 THR 1 57.597 -1.311 -4.493 8 HG22 THR 1 HG22 THR 1 58.561 0.160 -4.377 9 HG23 THR 1 HG23 THR 1 58.007 -0.407 -5.952 10 H ALA 2 HN ALA 2 56.258 3.143 -2.314 11 HA ALA 2 HA ALA 2 53.690 3.996 -3.247 12 HB1 ALA 2 HB1 ALA 2 52.819 2.619 -1.494 13 HB2 ALA 2 HB2 ALA 2 52.734 4.285 -0.924 14 HB3 ALA 2 HB3 ALA 2 54.014 3.221 -0.345 15 H LYS 3 HN LYS 3 56.496 4.416 -1.194 16 HA LYS 3 HA LYS 3 56.662 7.209 -1.913 17 HB2 LYS 3 HB2 LYS 3 55.197 6.720 0.358 18 HB3 LYS 3 HB1 LYS 3 56.811 6.881 1.050 19 HG2 LYS 3 HG2 LYS 3 55.541 8.918 -0.821 20 HG3 LYS 3 HG1 LYS 3 55.531 9.047 0.935 21 HD2 LYS 3 HD2 LYS 3 58.009 9.033 0.941 22 HD3 LYS 3 HD1 LYS 3 58.005 8.944 -0.822 23 HE2 LYS 3 HE2 LYS 3 56.760 11.083 -0.922 24 HE3 LYS 3 HE1 LYS 3 56.791 11.175 0.836 25 HZ1 LYS 3 HZ1 LYS 3 58.654 12.342 0.465 26 HZ2 LYS 3 HZ2 LYS 3 58.901 11.684 -1.081 27 HZ3 LYS 3 HZ3 LYS 3 59.375 10.818 0.300 28 H ASN 4 HN ASN 4 58.751 7.350 -2.496 29 HA ASN 4 HA ASN 4 60.797 6.278 -0.678 30 HB2 ASN 4 HB2 ASN 4 60.393 4.558 -2.372 31 HB3 ASN 4 HB1 ASN 4 60.688 5.742 -3.645 32 HD21 ASN 4 HD21 ASN 4 62.580 4.579 -4.424 33 HD22 ASN 4 HD22 ASN 4 64.021 4.538 -3.533 34 H THR 5 HN THR 5 62.006 8.065 -0.133 35 HA THR 5 HA THR 5 62.948 9.772 -2.337 36 HB THR 5 HB THR 5 61.740 10.914 0.194 37 HG1 THR 5 HG1 THR 5 60.358 11.736 -1.774 38 HG21 THR 5 HG21 THR 5 62.011 13.051 -0.980 39 HG22 THR 5 HG22 THR 5 62.693 12.215 -2.374 40 HG23 THR 5 HG23 THR 5 63.568 12.235 -0.844 41 H VAL 6 HN VAL 6 65.062 9.573 -2.177 42 HA VAL 6 HA VAL 6 66.452 8.834 0.175 43 HB VAL 6 HB VAL 6 67.369 8.484 -2.091 44 HG11 VAL 6 HG11 VAL 6 66.619 10.815 -2.872 45 HG12 VAL 6 HG12 VAL 6 68.211 10.272 -3.405 46 HG13 VAL 6 HG13 VAL 6 68.072 11.416 -2.070 47 HG21 VAL 6 HG21 VAL 6 68.803 8.547 -0.033 48 HG22 VAL 6 HG22 VAL 6 69.143 10.241 -0.385 49 HG23 VAL 6 HG23 VAL 6 69.663 8.986 -1.509 50 H VAL 7 HN VAL 7 67.278 9.929 1.787 51 HA VAL 7 HA VAL 7 66.893 12.832 1.920 52 HB VAL 7 HB VAL 7 67.922 10.880 4.000 53 HG11 VAL 7 HG11 VAL 7 68.646 13.067 4.586 54 HG12 VAL 7 HG12 VAL 7 67.173 12.810 5.521 55 HG13 VAL 7 HG13 VAL 7 67.129 13.795 4.059 56 HG21 VAL 7 HG21 VAL 7 65.164 12.111 3.766 57 HG22 VAL 7 HG22 VAL 7 65.693 10.884 4.917 58 HG23 VAL 7 HG23 VAL 7 65.554 10.483 3.203 59 H ARG 8 HN ARG 8 69.344 10.324 2.115 60 HA ARG 8 HA ARG 8 71.349 12.053 0.973 61 HB2 ARG 8 HB2 ARG 8 71.569 12.584 3.368 62 HB3 ARG 8 HB1 ARG 8 71.760 10.865 3.724 63 HG2 ARG 8 HG2 ARG 8 73.797 10.744 2.436 64 HG3 ARG 8 HG1 ARG 8 73.557 12.377 1.811 65 HD2 ARG 8 HD2 ARG 8 73.898 11.718 4.749 66 HD3 ARG 8 HD1 ARG 8 75.199 12.282 3.702 67 HE ARG 8 HE ARG 8 73.147 14.118 3.402 68 HH11 ARG 8 HH11 ARG 8 75.259 12.948 5.880 69 HH12 ARG 8 HH12 ARG 8 75.117 14.371 6.859 70 HH21 ARG 8 HH21 ARG 8 72.880 15.939 4.720 71 HH22 ARG 8 HH22 ARG 8 73.760 16.062 6.207 72 H GLY 9 HN GLY 9 73.078 10.882 0.159 73 HA2 GLY 9 HA2 GLY 9 72.673 7.940 0.041 74 HA3 GLY 9 HA1 GLY 9 73.317 8.910 -1.278 75 H LEU 10 HN LEU 10 75.202 7.842 -1.467 76 HA LEU 10 HA LEU 10 76.953 7.269 0.719 77 HB2 LEU 10 HB2 LEU 10 77.626 7.422 -2.227 78 HB3 LEU 10 HB1 LEU 10 78.453 6.481 -0.985 79 HG LEU 10 HG LEU 10 75.595 6.066 -1.916 80 HD11 LEU 10 HD11 LEU 10 78.205 4.785 -2.616 81 HD12 LEU 10 HD12 LEU 10 76.781 5.066 -3.614 82 HD13 LEU 10 HD13 LEU 10 76.799 3.731 -2.466 83 HD21 LEU 10 HD21 LEU 10 77.262 4.788 0.253 84 HD22 LEU 10 HD22 LEU 10 75.906 3.937 -0.485 85 HD23 LEU 10 HD23 LEU 10 75.634 5.454 0.362 86 H GLU 11 HN GLU 11 78.960 8.225 1.170 87 HA GLU 11 HA GLU 11 79.447 10.920 0.048 88 HB2 GLU 11 HB2 GLU 11 79.473 10.132 2.973 89 HB3 GLU 11 HB1 GLU 11 80.154 11.633 2.348 90 HG2 GLU 11 HG2 GLU 11 77.940 12.244 1.427 91 HG3 GLU 11 HG1 GLU 11 77.266 10.755 2.090 92 H ASN 12 HN ASN 12 81.650 11.536 0.065 93 HA ASN 12 HA ASN 12 83.487 9.560 -0.574 94 HB2 ASN 12 HB2 ASN 12 85.233 11.250 -0.238 95 HB3 ASN 12 HB1 ASN 12 83.847 11.943 -1.076 96 HD21 ASN 12 HD21 ASN 12 85.268 13.887 0.052 97 HD22 ASN 12 HD22 ASN 12 84.624 14.406 1.535 98 H VAL 13 HN VAL 13 85.020 8.402 0.535 99 HA VAL 13 HA VAL 13 85.098 8.665 3.493 100 HB VAL 13 HB VAL 13 84.780 6.061 1.970 101 HG11 VAL 13 HG11 VAL 13 86.349 5.652 3.727 102 HG12 VAL 13 HG12 VAL 13 84.786 5.116 4.346 103 HG13 VAL 13 HG13 VAL 13 85.449 6.667 4.856 104 HG21 VAL 13 HG21 VAL 13 83.044 7.576 3.933 105 HG22 VAL 13 HG22 VAL 13 82.798 5.867 3.569 106 HG23 VAL 13 HG23 VAL 13 82.638 7.073 2.297 107 H GLU 14 HN GLU 14 87.137 8.657 4.267 108 HA GLU 14 HA GLU 14 89.313 7.665 2.501 109 HB2 GLU 14 HB2 GLU 14 89.205 10.131 2.424 110 HB3 GLU 14 HB1 GLU 14 89.359 10.188 4.179 111 HG2 GLU 14 HG2 GLU 14 91.555 9.082 4.037 112 HG3 GLU 14 HG1 GLU 14 91.396 8.978 2.284 113 H ALA 15 HN ALA 15 90.602 6.241 3.428 114 HA ALA 15 HA ALA 15 91.121 6.326 6.317 115 HB1 ALA 15 HB1 ALA 15 89.178 4.826 6.091 116 HB2 ALA 15 HB2 ALA 15 90.618 3.928 6.569 117 HB3 ALA 15 HB3 ALA 15 90.057 3.866 4.899 118 H LEU 16 HN LEU 16 93.162 5.564 6.841 119 HA LEU 16 HA LEU 16 94.978 5.169 4.622 120 HB2 LEU 16 HB2 LEU 16 96.596 4.725 6.695 121 HB3 LEU 16 HB1 LEU 16 96.091 6.356 6.268 122 HG LEU 16 HG LEU 16 94.338 4.797 8.146 123 HD11 LEU 16 HD11 LEU 16 96.994 6.058 8.883 124 HD12 LEU 16 HD12 LEU 16 96.492 4.387 9.143 125 HD13 LEU 16 HD13 LEU 16 95.733 5.690 10.059 126 HD21 LEU 16 HD21 LEU 16 93.697 6.938 8.906 127 HD22 LEU 16 HD22 LEU 16 93.964 7.206 7.185 128 HD23 LEU 16 HD23 LEU 16 95.191 7.690 8.353 129 H GLU 17 HN GLU 17 96.642 3.362 4.875 130 HA GLU 17 HA GLU 17 95.537 0.942 4.291 131 HB2 GLU 17 HB2 GLU 17 97.880 1.405 3.892 132 HB3 GLU 17 HB1 GLU 17 98.200 1.481 5.620 133 HG2 GLU 17 HG2 GLU 17 98.925 -0.679 4.752 134 HG3 GLU 17 HG1 GLU 17 97.545 -0.932 5.808 135 H GLY 18 HN GLY 18 94.876 -0.844 5.288 136 HA2 GLY 18 HA2 GLY 18 94.087 -2.230 6.923 137 HA3 GLY 18 HA1 GLY 18 95.342 -1.566 7.969 138 H GLY 19 HN GLY 19 92.983 0.530 6.507 139 HA2 GLY 19 HA2 GLY 19 91.980 1.257 9.159 140 HA3 GLY 19 HA1 GLY 19 91.707 2.133 7.659 141 H GLU 20 HN GLU 20 89.524 2.075 8.862 142 HA GLU 20 HA GLU 20 87.919 -0.213 7.845 143 HB2 GLU 20 HB2 GLU 20 88.112 -0.192 10.337 144 HB3 GLU 20 HB1 GLU 20 87.418 1.429 10.343 145 HG2 GLU 20 HG2 GLU 20 85.356 0.627 9.380 146 HG3 GLU 20 HG1 GLU 20 86.041 -0.977 9.130 147 H ALA 21 HN ALA 21 85.695 0.412 7.182 148 HA ALA 21 HA ALA 21 85.291 3.322 6.864 149 HB1 ALA 21 HB1 ALA 21 86.316 2.956 4.793 150 HB2 ALA 21 HB2 ALA 21 84.603 2.801 4.409 151 HB3 ALA 21 HB3 ALA 21 85.594 1.363 4.606 152 H LEU 22 HN LEU 22 83.203 3.986 6.796 153 HA LEU 22 HA LEU 22 81.109 1.900 6.845 154 HB2 LEU 22 HB2 LEU 22 81.264 4.335 8.639 155 HB3 LEU 22 HB1 LEU 22 79.930 3.187 8.578 156 HG LEU 22 HG LEU 22 81.901 1.421 9.029 157 HD11 LEU 22 HD11 LEU 22 83.535 2.394 10.642 158 HD12 LEU 22 HD12 LEU 22 82.923 3.999 10.254 159 HD13 LEU 22 HD13 LEU 22 83.732 3.043 9.019 160 HD21 LEU 22 HD21 LEU 22 81.433 1.662 11.476 161 HD22 LEU 22 HD22 LEU 22 79.969 1.695 10.495 162 HD23 LEU 22 HD23 LEU 22 80.634 3.196 11.138 163 H PHE 23 HN PHE 23 79.673 2.173 5.301 164 HA PHE 23 HA PHE 23 79.112 4.907 4.287 165 HB2 PHE 23 HB2 PHE 23 79.110 2.194 2.974 166 HB3 PHE 23 HB1 PHE 23 78.135 3.500 2.309 167 HD1 PHE 23 HD2 PHE 23 79.171 5.508 1.392 168 HD2 PHE 23 HD1 PHE 23 81.542 2.250 2.874 169 HE1 PHE 23 HE2 PHE 23 81.147 6.414 0.207 170 HE2 PHE 23 HE1 PHE 23 83.523 3.155 1.687 171 HZ PHE 23 HZ PHE 23 83.321 5.237 0.350 172 H GLU 24 HN GLU 24 77.383 5.535 5.527 173 HA GLU 24 HA GLU 24 75.062 3.686 5.654 174 HB2 GLU 24 HB2 GLU 24 74.373 4.858 7.659 175 HB3 GLU 24 HB1 GLU 24 76.036 4.307 7.849 176 HG2 GLU 24 HG2 GLU 24 76.850 6.550 7.225 177 HG3 GLU 24 HG1 GLU 24 75.181 7.109 7.081 178 H CYS 25 HN CYS 25 73.121 4.353 4.951 179 HA CYS 25 HA CYS 25 72.925 7.064 3.742 180 HB2 CYS 25 HB2 CYS 25 71.458 4.714 2.581 181 HB3 CYS 25 HB1 CYS 25 72.041 6.181 1.788 182 HG CYS 25 HG CYS 25 74.271 4.337 2.833 183 H GLN 26 HN GLN 26 70.956 8.071 3.841 184 HA GLN 26 HA GLN 26 68.988 6.923 5.739 185 HB2 GLN 26 HB2 GLN 26 69.686 9.787 5.043 186 HB3 GLN 26 HB1 GLN 26 68.306 9.327 6.046 187 HG2 GLN 26 HG2 GLN 26 69.797 8.224 7.639 188 HG3 GLN 26 HG1 GLN 26 71.188 8.580 6.617 189 HE21 GLN 26 HE21 GLN 26 70.562 9.519 9.435 190 HE22 GLN 26 HE22 GLN 26 70.639 11.213 9.349 191 H LEU 27 HN LEU 27 67.639 5.851 4.437 192 HA LEU 27 HA LEU 27 66.449 7.239 2.106 193 HB2 LEU 27 HB2 LEU 27 67.428 5.362 1.206 194 HB3 LEU 27 HB1 LEU 27 67.289 4.436 2.688 195 HG LEU 27 HG LEU 27 64.832 5.167 1.082 196 HD11 LEU 27 HD11 LEU 27 66.200 4.080 -0.547 197 HD12 LEU 27 HD12 LEU 27 65.100 2.841 0.057 198 HD13 LEU 27 HD13 LEU 27 66.771 2.888 0.624 199 HD21 LEU 27 HD21 LEU 27 65.414 3.486 3.443 200 HD22 LEU 27 HD22 LEU 27 64.545 2.599 2.196 201 HD23 LEU 27 HD23 LEU 27 63.878 4.085 2.842 202 H SER 28 HN SER 28 64.319 7.677 2.095 203 HA SER 28 HA SER 28 62.685 6.768 4.378 204 HB2 SER 28 HB2 SER 28 62.833 9.232 3.741 205 HB3 SER 28 HB1 SER 28 61.907 8.816 2.301 206 HG SER 28 HG SER 28 60.522 9.430 3.988 207 H GLN 29 HN GLN 29 62.180 4.743 3.766 208 HA GLN 29 HA GLN 29 59.940 4.304 2.096 209 HB2 GLN 29 HB2 GLN 29 61.861 4.506 0.416 210 HB3 GLN 29 HB1 GLN 29 62.479 3.005 1.103 211 HG2 GLN 29 HG2 GLN 29 60.222 1.967 0.655 212 HG3 GLN 29 HG1 GLN 29 59.787 3.434 -0.218 213 HE21 GLN 29 HE21 GLN 29 63.085 2.954 -0.666 214 HE22 GLN 29 HE22 GLN 29 63.025 2.115 -2.141 215 HA PRO 30 HA PRO 30 60.510 1.292 5.474 216 HB2 PRO 30 HB2 PRO 30 57.828 0.265 5.075 217 HB3 PRO 30 HB1 PRO 30 58.440 1.248 6.411 218 HG2 PRO 30 HG2 PRO 30 56.690 2.067 4.335 219 HG3 PRO 30 HG1 PRO 30 57.416 3.078 5.590 220 HD2 PRO 30 HD2 PRO 30 58.085 2.955 2.747 221 HD3 PRO 30 HD1 PRO 30 58.651 4.105 3.976 222 H GLU 31 HN GLU 31 59.419 0.612 2.205 223 HA GLU 31 HA GLU 31 60.879 -1.918 2.289 224 HB2 GLU 31 HB2 GLU 31 58.997 -3.214 1.361 225 HB3 GLU 31 HB1 GLU 31 58.640 -2.607 2.977 226 HG2 GLU 31 HG2 GLU 31 57.354 -0.749 2.021 227 HG3 GLU 31 HG1 GLU 31 57.743 -1.295 0.392 228 H VAL 32 HN VAL 32 61.770 -2.485 0.360 229 HA VAL 32 HA VAL 32 61.028 -0.864 -2.016 230 HB VAL 32 HB VAL 32 63.170 -0.089 -1.197 231 HG11 VAL 32 HG11 VAL 32 65.003 -1.491 -0.696 232 HG12 VAL 32 HG12 VAL 32 64.286 -2.876 -1.518 233 HG13 VAL 32 HG13 VAL 32 63.629 -2.327 0.023 234 HG21 VAL 32 HG21 VAL 32 64.422 -0.352 -3.202 235 HG22 VAL 32 HG22 VAL 32 62.736 -0.511 -3.687 236 HG23 VAL 32 HG23 VAL 32 63.741 -1.951 -3.509 237 H ALA 33 HN ALA 33 60.183 -2.076 -3.533 238 HA ALA 33 HA ALA 33 60.460 -4.945 -3.541 239 HB1 ALA 33 HB1 ALA 33 58.752 -4.944 -5.173 240 HB2 ALA 33 HB2 ALA 33 59.111 -3.291 -5.669 241 HB3 ALA 33 HB3 ALA 33 58.352 -3.596 -4.108 242 H ALA 34 HN ALA 34 62.485 -2.600 -4.668 243 HA ALA 34 HA ALA 34 63.833 -4.452 -6.426 244 HB1 ALA 34 HB1 ALA 34 62.004 -3.354 -7.837 245 HB2 ALA 34 HB2 ALA 34 63.649 -3.247 -8.460 246 HB3 ALA 34 HB3 ALA 34 62.921 -1.855 -7.661 247 H HIS 35 HN HIS 35 65.841 -4.226 -5.624 248 HA HIS 35 HA HIS 35 67.071 -1.559 -5.639 249 HB2 HIS 35 HB2 HIS 35 68.055 -2.071 -3.336 250 HB3 HIS 35 HB1 HIS 35 66.357 -1.608 -3.380 251 HD1 HIS 35 HD1 HIS 35 64.714 -3.897 -3.733 252 HD2 HIS 35 HD2 HIS 35 68.392 -4.356 -1.824 253 HE1 HIS 35 HE1 HIS 35 64.572 -6.053 -2.418 254 H THR 36 HN THR 36 69.122 -1.591 -6.296 255 HA THR 36 HA THR 36 70.630 -4.145 -6.270 256 HB THR 36 HB THR 36 70.526 -2.126 -8.525 257 HG1 THR 36 HG1 THR 36 69.868 -4.406 -9.428 258 HG21 THR 36 HG21 THR 36 72.134 -4.642 -8.059 259 HG22 THR 36 HG22 THR 36 72.735 -3.022 -8.415 260 HG23 THR 36 HG23 THR 36 71.903 -3.948 -9.665 261 H TRP 37 HN TRP 37 72.545 -3.933 -5.263 262 HA TRP 37 HA TRP 37 73.778 -1.233 -5.100 263 HB2 TRP 37 HB2 TRP 37 72.699 -2.236 -2.980 264 HB3 TRP 37 HB1 TRP 37 74.046 -3.364 -2.982 265 HD1 TRP 37 HD1 TRP 37 75.890 -0.724 -4.259 266 HE1 TRP 37 HE1 TRP 37 76.875 0.848 -2.486 267 HE3 TRP 37 HE3 TRP 37 72.973 -1.968 -0.249 268 HZ2 TRP 37 HZ2 TRP 37 76.493 1.504 0.264 269 HZ3 TRP 37 HZ3 TRP 37 73.314 -0.851 1.934 270 HH2 TRP 37 HH2 TRP 37 75.066 0.883 2.198 271 H LEU 38 HN LEU 38 75.399 -1.317 -6.504 272 HA LEU 38 HA LEU 38 77.398 -3.499 -6.232 273 HB2 LEU 38 HB2 LEU 38 76.542 -2.132 -8.791 274 HB3 LEU 38 HB1 LEU 38 77.858 -3.294 -8.645 275 HG LEU 38 HG LEU 38 74.968 -3.876 -7.925 276 HD11 LEU 38 HD11 LEU 38 74.832 -5.077 -10.019 277 HD12 LEU 38 HD12 LEU 38 76.544 -4.806 -10.346 278 HD13 LEU 38 HD13 LEU 38 75.414 -3.451 -10.380 279 HD21 LEU 38 HD21 LEU 38 76.253 -5.431 -6.706 280 HD22 LEU 38 HD22 LEU 38 77.530 -5.484 -7.922 281 HD23 LEU 38 HD23 LEU 38 75.993 -6.297 -8.218 282 H LEU 39 HN LEU 39 79.161 -2.700 -5.397 283 HA LEU 39 HA LEU 39 79.940 0.088 -5.895 284 HB2 LEU 39 HB2 LEU 39 81.813 -0.904 -4.133 285 HB3 LEU 39 HB1 LEU 39 80.319 -0.148 -3.629 286 HG LEU 39 HG LEU 39 79.235 -2.413 -3.619 287 HD11 LEU 39 HD11 LEU 39 80.823 -3.522 -5.165 288 HD12 LEU 39 HD12 LEU 39 80.730 -4.380 -3.627 289 HD13 LEU 39 HD13 LEU 39 82.106 -3.334 -3.972 290 HD21 LEU 39 HD21 LEU 39 80.001 -1.445 -1.538 291 HD22 LEU 39 HD22 LEU 39 81.659 -1.948 -1.864 292 HD23 LEU 39 HD23 LEU 39 80.422 -3.159 -1.538 293 H ASP 40 HN ASP 40 82.579 -1.990 -5.196 294 HA ASP 40 HA ASP 40 83.726 -1.598 -7.729 295 HB2 ASP 40 HB2 ASP 40 84.955 -2.350 -5.617 296 HB3 ASP 40 HB1 ASP 40 84.265 -3.952 -5.875 297 H ASP 41 HN ASP 41 84.007 -3.450 -9.286 298 HA ASP 41 HA ASP 41 81.502 -4.376 -10.125 299 HB2 ASP 41 HB2 ASP 41 84.312 -5.022 -11.001 300 HB3 ASP 41 HB1 ASP 41 82.907 -5.764 -11.764 301 H GLU 42 HN GLU 42 81.932 -5.327 -7.456 302 HA GLU 42 HA GLU 42 81.636 -8.231 -7.965 303 HB2 GLU 42 HB2 GLU 42 83.209 -6.924 -5.719 304 HB3 GLU 42 HB1 GLU 42 82.673 -8.603 -5.656 305 HG2 GLU 42 HG2 GLU 42 84.871 -8.732 -6.521 306 HG3 GLU 42 HG1 GLU 42 83.851 -8.864 -7.949 307 HA PRO 43 HA PRO 43 77.739 -7.348 -5.999 308 HB2 PRO 43 HB2 PRO 43 77.546 -9.944 -4.710 309 HB3 PRO 43 HB1 PRO 43 76.667 -9.360 -6.129 310 HG2 PRO 43 HG2 PRO 43 78.861 -11.222 -6.026 311 HG3 PRO 43 HG1 PRO 43 77.906 -10.722 -7.426 312 HD2 PRO 43 HD2 PRO 43 80.617 -10.037 -6.887 313 HD3 PRO 43 HD1 PRO 43 79.591 -9.366 -8.170 314 H VAL 44 HN VAL 44 77.253 -6.424 -4.027 315 HA VAL 44 HA VAL 44 79.356 -6.540 -2.026 316 HB VAL 44 HB VAL 44 78.475 -4.403 -2.731 317 HG11 VAL 44 HG11 VAL 44 76.263 -3.771 -2.629 318 HG12 VAL 44 HG12 VAL 44 75.897 -4.827 -1.272 319 HG13 VAL 44 HG13 VAL 44 76.029 -5.496 -2.895 320 HG21 VAL 44 HG21 VAL 44 77.660 -4.940 0.127 321 HG22 VAL 44 HG22 VAL 44 78.302 -3.450 -0.552 322 HG23 VAL 44 HG23 VAL 44 79.341 -4.864 -0.388 323 H ARG 45 HN ARG 45 79.116 -8.570 -1.234 324 HA ARG 45 HA ARG 45 77.243 -8.793 0.990 325 HB2 ARG 45 HB2 ARG 45 77.500 -10.835 -1.235 326 HB3 ARG 45 HB1 ARG 45 76.993 -11.296 0.386 327 HG2 ARG 45 HG2 ARG 45 75.579 -9.039 -1.021 328 HG3 ARG 45 HG1 ARG 45 75.178 -10.704 -1.431 329 HD2 ARG 45 HD2 ARG 45 75.141 -9.612 1.399 330 HD3 ARG 45 HD1 ARG 45 73.721 -9.735 0.371 331 HE ARG 45 HE ARG 45 74.762 -12.266 0.355 332 HH11 ARG 45 HH21 ARG 45 72.519 -10.612 2.108 333 HH12 ARG 45 HH22 ARG 45 72.656 -11.534 3.567 334 HH21 ARG 45 HH11 ARG 45 75.517 -13.212 2.557 335 HH22 ARG 45 HH12 ARG 45 74.355 -12.999 3.825 336 H THR 46 HN THR 46 79.074 -11.379 -0.350 337 HA THR 46 HA THR 46 81.022 -12.444 0.254 338 HB THR 46 HB THR 46 82.910 -11.105 0.498 339 HG1 THR 46 HG1 THR 46 81.450 -8.979 1.608 340 HG21 THR 46 HG21 THR 46 81.117 -8.876 -0.399 341 HG22 THR 46 HG22 THR 46 81.211 -10.337 -1.383 342 HG23 THR 46 HG23 THR 46 82.667 -9.399 -1.055 343 H SER 47 HN SER 47 82.482 -11.031 2.776 344 HA SER 47 HA SER 47 80.861 -12.413 4.847 345 HB2 SER 47 HB2 SER 47 82.629 -13.748 5.467 346 HB3 SER 47 HB1 SER 47 83.053 -13.533 3.771 347 HG SER 47 HG SER 47 84.796 -13.069 5.202 348 H GLU 48 HN GLU 48 83.009 -11.988 6.810 349 HA GLU 48 HA GLU 48 82.170 -9.595 7.944 350 HB2 GLU 48 HB2 GLU 48 84.800 -11.056 8.277 351 HB3 GLU 48 HB1 GLU 48 84.270 -9.730 9.311 352 HG2 GLU 48 HG2 GLU 48 82.723 -12.305 8.888 353 HG3 GLU 48 HG1 GLU 48 83.751 -11.973 10.279 354 H ASN 49 HN ASN 49 84.986 -10.186 5.870 355 HA ASN 49 HA ASN 49 86.020 -7.564 5.985 356 HB2 ASN 49 HB2 ASN 49 87.332 -9.464 5.154 357 HB3 ASN 49 HB1 ASN 49 86.276 -9.574 3.745 358 HD21 ASN 49 HD21 ASN 49 88.532 -7.326 5.405 359 HD22 ASN 49 HD22 ASN 49 88.958 -6.474 3.999 360 H ALA 50 HN ALA 50 83.038 -8.201 5.091 361 HA ALA 50 HA ALA 50 82.422 -5.816 3.870 362 HB1 ALA 50 HB1 ALA 50 83.576 -6.109 1.886 363 HB2 ALA 50 HB2 ALA 50 82.075 -6.918 1.440 364 HB3 ALA 50 HB3 ALA 50 83.467 -7.867 1.968 365 H GLU 51 HN GLU 51 80.211 -5.673 4.074 366 HA GLU 51 HA GLU 51 78.372 -7.622 3.229 367 HB2 GLU 51 HB2 GLU 51 79.280 -8.991 5.097 368 HB3 GLU 51 HB1 GLU 51 78.873 -7.699 6.220 369 HG2 GLU 51 HG2 GLU 51 76.504 -7.933 5.699 370 HG3 GLU 51 HG1 GLU 51 76.866 -9.132 4.457 371 H VAL 52 HN VAL 52 76.212 -6.770 3.311 372 HA VAL 52 HA VAL 52 76.006 -4.103 4.505 373 HB VAL 52 HB VAL 52 73.873 -5.470 2.856 374 HG11 VAL 52 HG11 VAL 52 74.772 -2.580 2.933 375 HG12 VAL 52 HG12 VAL 52 73.549 -3.235 4.022 376 HG13 VAL 52 HG13 VAL 52 73.265 -3.225 2.283 377 HG21 VAL 52 HG21 VAL 52 76.210 -3.934 1.673 378 HG22 VAL 52 HG22 VAL 52 74.894 -4.714 0.808 379 HG23 VAL 52 HG23 VAL 52 76.090 -5.697 1.647 380 H VAL 53 HN VAL 53 74.066 -3.603 5.777 381 HA VAL 53 HA VAL 53 72.680 -5.895 6.997 382 HB VAL 53 HB VAL 53 74.522 -5.676 8.464 383 HG11 VAL 53 HG11 VAL 53 75.172 -3.434 9.394 384 HG12 VAL 53 HG12 VAL 53 74.056 -2.697 8.241 385 HG13 VAL 53 HG13 VAL 53 75.448 -3.618 7.664 386 HG21 VAL 53 HG21 VAL 53 72.344 -3.943 9.672 387 HG22 VAL 53 HG22 VAL 53 73.550 -4.881 10.547 388 HG23 VAL 53 HG23 VAL 53 72.302 -5.707 9.614 389 H PHE 54 HN PHE 54 70.676 -5.369 7.970 390 HA PHE 54 HA PHE 54 69.556 -2.784 7.071 391 HB2 PHE 54 HB2 PHE 54 68.431 -5.518 7.516 392 HB3 PHE 54 HB1 PHE 54 67.348 -4.152 7.762 393 HD1 PHE 54 HD2 PHE 54 69.979 -5.230 5.301 394 HD2 PHE 54 HD1 PHE 54 66.098 -3.479 5.912 395 HE1 PHE 54 HE2 PHE 54 69.675 -5.048 2.846 396 HE2 PHE 54 HE1 PHE 54 65.800 -3.301 3.452 397 HZ PHE 54 HZ PHE 54 67.587 -4.083 1.923 398 H PHE 55 HN PHE 55 68.563 -1.377 8.341 399 HA PHE 55 HA PHE 55 68.193 -1.940 11.215 400 HB2 PHE 55 HB2 PHE 55 69.712 0.367 9.992 401 HB3 PHE 55 HB1 PHE 55 69.007 0.466 11.604 402 HD1 PHE 55 HD1 PHE 55 69.715 -1.167 13.376 403 HD2 PHE 55 HD2 PHE 55 71.707 -0.882 9.586 404 HE1 PHE 55 HE1 PHE 55 71.671 -2.370 14.314 405 HE2 PHE 55 HE2 PHE 55 73.660 -2.078 10.523 406 HZ PHE 55 HZ PHE 55 73.646 -2.827 12.887 407 H GLU 56 HN GLU 56 66.451 -0.834 12.142 408 HA GLU 56 HA GLU 56 64.353 0.101 12.140 409 HB2 GLU 56 HB2 GLU 56 65.879 1.978 10.343 410 HB3 GLU 56 HB1 GLU 56 64.216 2.295 10.842 411 HG2 GLU 56 HG2 GLU 56 66.506 1.792 12.765 412 HG3 GLU 56 HG1 GLU 56 65.949 3.396 12.293 413 H ASN 57 HN ASN 57 64.690 -2.074 10.355 414 HA ASN 57 HA ASN 57 63.543 -3.191 8.719 415 HB2 ASN 57 HB2 ASN 57 61.599 -2.114 9.927 416 HB3 ASN 57 HB1 ASN 57 61.619 -0.869 8.678 417 HD21 ASN 57 HD21 ASN 57 59.758 -1.415 7.467 418 HD22 ASN 57 HD22 ASN 57 59.518 -2.931 6.742 419 H GLY 58 HN GLY 58 65.699 -1.651 7.837 420 HA2 GLY 58 HA2 GLY 58 66.629 -1.218 5.751 421 HA3 GLY 58 HA1 GLY 58 65.041 -1.458 5.036 422 H LEU 59 HN LEU 59 64.674 0.736 7.486 423 HA LEU 59 HA LEU 59 64.206 2.931 5.740 424 HB2 LEU 59 HB2 LEU 59 63.207 2.500 8.051 425 HB3 LEU 59 HB1 LEU 59 64.739 3.052 8.702 426 HG LEU 59 HG LEU 59 64.451 5.198 7.420 427 HD11 LEU 59 HD11 LEU 59 61.865 3.826 6.707 428 HD12 LEU 59 HD12 LEU 59 62.907 4.840 5.710 429 HD13 LEU 59 HD13 LEU 59 61.865 5.578 6.919 430 HD21 LEU 59 HD21 LEU 59 62.311 4.452 9.440 431 HD22 LEU 59 HD22 LEU 59 62.764 6.101 9.011 432 HD23 LEU 59 HD23 LEU 59 63.929 5.045 9.811 433 H ARG 60 HN ARG 60 66.907 1.517 7.106 434 HA ARG 60 HA ARG 60 68.706 3.569 6.074 435 HB2 ARG 60 HB2 ARG 60 68.649 2.662 8.958 436 HB3 ARG 60 HB1 ARG 60 70.091 3.349 8.212 437 HG2 ARG 60 HG2 ARG 60 68.883 5.401 7.673 438 HG3 ARG 60 HG1 ARG 60 67.386 4.718 8.309 439 HD2 ARG 60 HD2 ARG 60 68.355 4.579 10.543 440 HD3 ARG 60 HD1 ARG 60 69.906 5.151 9.935 441 HE ARG 60 HE ARG 60 68.011 7.080 9.246 442 HH11 ARG 60 HH21 ARG 60 69.764 5.829 11.939 443 HH12 ARG 60 HH22 ARG 60 69.348 7.136 12.997 444 HH21 ARG 60 HH11 ARG 60 67.271 8.690 10.707 445 HH22 ARG 60 HH12 ARG 60 67.936 8.744 12.305 446 H HIS 61 HN HIS 61 70.875 2.712 5.768 447 HA HIS 61 HA HIS 61 71.182 -0.199 6.085 448 HB2 HIS 61 HB2 HIS 61 71.486 1.226 3.428 449 HB3 HIS 61 HB1 HIS 61 71.910 -0.453 3.745 450 HD1 HIS 61 HD1 HIS 61 69.134 1.642 2.688 451 HD2 HIS 61 HD2 HIS 61 69.517 -2.043 4.597 452 HE1 HIS 61 HE1 HIS 61 66.897 0.476 2.453 453 H LEU 62 HN LEU 62 73.254 -0.763 6.567 454 HA LEU 62 HA LEU 62 75.374 1.283 6.165 455 HB2 LEU 62 HB2 LEU 62 74.896 -0.466 8.591 456 HB3 LEU 62 HB1 LEU 62 76.382 0.432 8.298 457 HG LEU 62 HG LEU 62 74.643 2.473 7.990 458 HD11 LEU 62 HD11 LEU 62 72.729 2.327 9.383 459 HD12 LEU 62 HD12 LEU 62 73.268 0.807 10.096 460 HD13 LEU 62 HD13 LEU 62 72.719 0.850 8.421 461 HD21 LEU 62 HD21 LEU 62 76.433 2.560 9.592 462 HD22 LEU 62 HD22 LEU 62 75.677 1.317 10.592 463 HD23 LEU 62 HD23 LEU 62 74.943 2.918 10.469 464 H LEU 63 HN LEU 63 77.273 0.586 5.412 465 HA LEU 63 HA LEU 63 77.625 -2.329 4.954 466 HB2 LEU 63 HB2 LEU 63 77.163 -1.326 2.839 467 HB3 LEU 63 HB1 LEU 63 78.213 0.045 3.175 468 HG LEU 63 HG LEU 63 80.193 -1.399 3.087 469 HD11 LEU 63 HD11 LEU 63 79.686 -3.823 2.195 470 HD12 LEU 63 HD12 LEU 63 78.102 -3.561 2.919 471 HD13 LEU 63 HD13 LEU 63 79.545 -3.489 3.922 472 HD21 LEU 63 HD21 LEU 63 79.644 -0.512 0.967 473 HD22 LEU 63 HD22 LEU 63 78.240 -1.564 0.786 474 HD23 LEU 63 HD23 LEU 63 79.868 -2.233 0.665 475 H LEU 64 HN LEU 64 79.293 -3.079 6.206 476 HA LEU 64 HA LEU 64 81.409 -1.201 6.979 477 HB2 LEU 64 HB2 LEU 64 80.243 -2.454 8.760 478 HB3 LEU 64 HB1 LEU 64 80.728 -3.970 8.004 479 HG LEU 64 HG LEU 64 83.116 -3.375 8.342 480 HD11 LEU 64 HD11 LEU 64 81.884 -0.847 9.406 481 HD12 LEU 64 HD12 LEU 64 83.261 -1.038 8.319 482 HD13 LEU 64 HD13 LEU 64 83.438 -1.392 10.031 483 HD21 LEU 64 HD21 LEU 64 81.730 -2.984 10.993 484 HD22 LEU 64 HD22 LEU 64 83.184 -3.914 10.628 485 HD23 LEU 64 HD23 LEU 64 81.604 -4.518 10.132 486 H LEU 65 HN LEU 65 83.432 -1.378 6.342 487 HA LEU 65 HA LEU 65 84.302 -3.759 4.804 488 HB2 LEU 65 HB2 LEU 65 85.304 -0.916 4.529 489 HB3 LEU 65 HB1 LEU 65 85.858 -2.305 3.601 490 HG LEU 65 HG LEU 65 83.044 -1.161 3.583 491 HD11 LEU 65 HD11 LEU 65 83.659 -0.712 1.159 492 HD12 LEU 65 HD12 LEU 65 85.324 -1.094 1.593 493 HD13 LEU 65 HD13 LEU 65 84.512 0.280 2.343 494 HD21 LEU 65 HD21 LEU 65 84.277 -3.621 2.343 495 HD22 LEU 65 HD22 LEU 65 82.940 -2.806 1.534 496 HD23 LEU 65 HD23 LEU 65 82.719 -3.451 3.155 497 H LYS 66 HN LYS 66 86.847 -3.977 5.030 498 HA LYS 66 HA LYS 66 87.854 -3.070 7.593 499 HB2 LYS 66 HB2 LYS 66 86.510 -5.012 8.215 500 HB3 LYS 66 HB1 LYS 66 87.309 -5.977 6.984 501 HG2 LYS 66 HG2 LYS 66 89.423 -5.820 8.144 502 HG3 LYS 66 HG1 LYS 66 88.731 -4.712 9.333 503 HD2 LYS 66 HD2 LYS 66 87.208 -6.440 10.113 504 HD3 LYS 66 HD1 LYS 66 87.737 -7.533 8.833 505 HE2 LYS 66 HE2 LYS 66 88.947 -8.243 10.721 506 HE3 LYS 66 HE1 LYS 66 90.097 -7.251 9.829 507 HZ1 LYS 66 HZ1 LYS 66 89.322 -6.913 12.443 508 HZ2 LYS 66 HZ2 LYS 66 88.521 -5.676 11.596 509 HZ3 LYS 66 HZ3 LYS 66 90.211 -5.817 11.503 510 H ASN 67 HN ASN 67 90.131 -3.934 7.905 511 HA ASN 67 HA ASN 67 92.309 -3.753 7.008 512 HB2 ASN 67 HB2 ASN 67 91.072 -6.153 5.643 513 HB3 ASN 67 HB1 ASN 67 92.793 -5.784 5.585 514 HD21 ASN 67 HD21 ASN 67 91.326 -8.092 6.914 515 HD22 ASN 67 HD22 ASN 67 91.842 -8.049 8.532 516 H LEU 68 HN LEU 68 90.949 -1.807 5.772 517 HA LEU 68 HA LEU 68 90.549 -2.025 3.028 518 HB2 LEU 68 HB2 LEU 68 91.291 0.401 4.658 519 HB3 LEU 68 HB1 LEU 68 90.680 0.447 3.006 520 HG LEU 68 HG LEU 68 89.214 -0.814 5.335 521 HD11 LEU 68 HD11 LEU 68 87.802 1.164 5.292 522 HD12 LEU 68 HD12 LEU 68 88.713 1.831 3.941 523 HD13 LEU 68 HD13 LEU 68 89.476 1.659 5.523 524 HD21 LEU 68 HD21 LEU 68 88.256 -1.851 3.494 525 HD22 LEU 68 HD22 LEU 68 88.675 -0.544 2.390 526 HD23 LEU 68 HD23 LEU 68 87.308 -0.367 3.483 527 H ARG 69 HN ARG 69 91.925 -2.633 1.574 528 HA ARG 69 HA ARG 69 94.757 -1.793 1.675 529 HB2 ARG 69 HB2 ARG 69 93.215 -4.038 0.406 530 HB3 ARG 69 HB1 ARG 69 94.715 -3.534 -0.363 531 HG2 ARG 69 HG2 ARG 69 95.928 -3.884 1.742 532 HG3 ARG 69 HG1 ARG 69 94.426 -4.343 2.542 533 HD2 ARG 69 HD2 ARG 69 95.610 -6.362 1.909 534 HD3 ARG 69 HD1 ARG 69 94.178 -6.208 0.897 535 HE ARG 69 HE ARG 69 96.421 -5.003 -0.375 536 HH11 ARG 69 HH11 ARG 69 94.720 -7.936 0.239 537 HH12 ARG 69 HH12 ARG 69 95.564 -8.851 -0.965 538 HH21 ARG 69 HH21 ARG 69 97.670 -6.240 -1.849 539 HH22 ARG 69 HH22 ARG 69 97.238 -7.891 -2.145 540 HA PRO 70 HA PRO 70 94.336 1.137 -1.613 541 HB2 PRO 70 HB2 PRO 70 96.289 -0.003 -3.422 542 HB3 PRO 70 HB1 PRO 70 96.502 1.376 -2.333 543 HG2 PRO 70 HG2 PRO 70 97.439 -1.371 -2.029 544 HG3 PRO 70 HG1 PRO 70 97.920 0.080 -1.136 545 HD2 PRO 70 HD2 PRO 70 96.389 -2.002 -0.085 546 HD3 PRO 70 HD1 PRO 70 96.457 -0.364 0.579 547 H GLN 71 HN GLN 71 94.497 -2.263 -2.264 548 HA GLN 71 HA GLN 71 93.443 -2.465 -4.839 549 HB2 GLN 71 HB2 GLN 71 94.341 -4.373 -3.543 550 HB3 GLN 71 HB1 GLN 71 92.958 -4.275 -2.454 551 HG2 GLN 71 HG2 GLN 71 91.424 -4.779 -4.288 552 HG3 GLN 71 HG1 GLN 71 92.757 -4.762 -5.443 553 HE21 GLN 71 HE21 GLN 71 91.610 -7.123 -5.618 554 HE22 GLN 71 HE22 GLN 71 92.369 -8.325 -4.689 555 H ASP 72 HN ASP 72 91.645 -2.850 -1.769 556 HA ASP 72 HA ASP 72 89.123 -2.966 -2.696 557 HB2 ASP 72 HB2 ASP 72 90.205 -1.663 -0.207 558 HB3 ASP 72 HB1 ASP 72 88.477 -1.844 -0.500 559 H SER 73 HN SER 73 90.902 0.182 -2.183 560 HA SER 73 HA SER 73 88.840 1.915 -2.478 561 HB2 SER 73 HB2 SER 73 90.417 3.510 -3.057 562 HB3 SER 73 HB1 SER 73 91.473 2.257 -2.410 563 HG SER 73 HG SER 73 92.076 1.717 -4.406 564 H CYS 74 HN CYS 74 87.217 1.995 -3.843 565 HA CYS 74 HA CYS 74 87.693 1.786 -6.711 566 HB2 CYS 74 HB2 CYS 74 87.294 -0.567 -5.638 567 HB3 CYS 74 HB1 CYS 74 85.605 -0.060 -5.592 568 HG CYS 74 HG CYS 74 86.267 0.539 -8.311 569 H ARG 75 HN ARG 75 84.962 1.235 -7.317 570 HA ARG 75 HA ARG 75 83.834 3.907 -6.851 571 HB2 ARG 75 HB2 ARG 75 84.116 2.810 -9.154 572 HB3 ARG 75 HB1 ARG 75 82.777 1.765 -8.692 573 HG2 ARG 75 HG2 ARG 75 81.592 3.483 -9.717 574 HG3 ARG 75 HG1 ARG 75 81.609 4.082 -8.059 575 HD2 ARG 75 HD2 ARG 75 83.578 5.458 -8.562 576 HD3 ARG 75 HD1 ARG 75 83.620 4.821 -10.200 577 HE ARG 75 HE ARG 75 81.826 6.217 -10.751 578 HH11 ARG 75 HH21 ARG 75 81.976 5.825 -7.330 579 HH12 ARG 75 HH22 ARG 75 81.069 7.259 -6.981 580 HH21 ARG 75 HH11 ARG 75 80.815 8.222 -10.306 581 HH22 ARG 75 HH12 ARG 75 80.410 8.618 -8.669 582 H VAL 76 HN VAL 76 82.048 4.275 -5.641 583 HA VAL 76 HA VAL 76 80.528 1.932 -4.635 584 HB VAL 76 HB VAL 76 80.496 4.636 -3.312 585 HG11 VAL 76 HG11 VAL 76 79.750 3.434 -1.428 586 HG12 VAL 76 HG12 VAL 76 80.402 1.907 -2.021 587 HG13 VAL 76 HG13 VAL 76 78.960 2.594 -2.763 588 HG21 VAL 76 HG21 VAL 76 82.858 4.159 -3.479 589 HG22 VAL 76 HG22 VAL 76 82.605 2.474 -3.027 590 HG23 VAL 76 HG23 VAL 76 82.354 3.751 -1.838 591 H THR 77 HN THR 77 78.533 1.731 -5.488 592 HA THR 77 HA THR 77 77.050 4.186 -6.237 593 HB THR 77 HB THR 77 77.221 1.681 -7.931 594 HG1 THR 77 HG1 THR 77 78.808 3.878 -7.723 595 HG21 THR 77 HG21 THR 77 75.103 2.998 -8.088 596 HG22 THR 77 HG22 THR 77 76.034 3.017 -9.586 597 HG23 THR 77 HG23 THR 77 76.056 4.419 -8.516 598 H PHE 78 HN PHE 78 75.022 4.219 -5.512 599 HA PHE 78 HA PHE 78 73.743 1.688 -4.624 600 HB2 PHE 78 HB2 PHE 78 74.371 3.222 -2.747 601 HB3 PHE 78 HB1 PHE 78 73.366 4.472 -3.474 602 HD1 PHE 78 HD2 PHE 78 73.093 0.834 -2.553 603 HD2 PHE 78 HD1 PHE 78 71.199 4.690 -2.614 604 HE1 PHE 78 HE2 PHE 78 71.120 -0.119 -1.392 605 HE2 PHE 78 HE1 PHE 78 69.230 3.737 -1.446 606 HZ PHE 78 HZ PHE 78 69.189 1.335 -0.837 607 H LEU 79 HN LEU 79 72.200 1.180 -6.058 608 HA LEU 79 HA LEU 79 70.692 3.371 -7.379 609 HB2 LEU 79 HB2 LEU 79 72.074 1.730 -8.751 610 HB3 LEU 79 HB1 LEU 79 70.919 0.494 -8.279 611 HG LEU 79 HG LEU 79 69.960 3.076 -9.535 612 HD11 LEU 79 HD11 LEU 79 70.889 0.595 -11.009 613 HD12 LEU 79 HD12 LEU 79 71.690 2.166 -11.035 614 HD13 LEU 79 HD13 LEU 79 70.083 1.983 -11.740 615 HD21 LEU 79 HD21 LEU 79 68.152 1.754 -8.713 616 HD22 LEU 79 HD22 LEU 79 68.885 0.252 -9.272 617 HD23 LEU 79 HD23 LEU 79 68.217 1.396 -10.432 618 H ALA 80 HN ALA 80 69.252 3.613 -5.628 619 HA ALA 80 HA ALA 80 67.384 1.367 -5.144 620 HB1 ALA 80 HB1 ALA 80 68.102 2.075 -3.045 621 HB2 ALA 80 HB2 ALA 80 66.664 3.072 -3.253 622 HB3 ALA 80 HB3 ALA 80 68.262 3.754 -3.555 623 H GLY 81 HN GLY 81 66.035 1.569 -6.909 624 HA2 GLY 81 HA2 GLY 81 64.406 2.468 -8.286 625 HA3 GLY 81 HA1 GLY 81 63.839 3.220 -6.800 626 H ASP 82 HN ASP 82 63.139 4.991 -8.183 627 HA ASP 82 HA ASP 82 64.530 6.563 -9.891 628 HB2 ASP 82 HB2 ASP 82 62.140 6.802 -9.072 629 HB3 ASP 82 HB1 ASP 82 62.789 7.704 -7.702 630 H MET 83 HN MET 83 65.525 5.999 -6.735 631 HA MET 83 HA MET 83 66.983 8.568 -6.542 632 HB2 MET 83 HB2 MET 83 67.101 6.691 -4.251 633 HB3 MET 83 HB1 MET 83 66.796 8.425 -4.278 634 HG2 MET 83 HG2 MET 83 64.493 7.865 -5.229 635 HG3 MET 83 HG1 MET 83 64.831 6.190 -4.802 636 HE1 MET 83 HE1 MET 83 65.148 6.174 -0.989 637 HE2 MET 83 HE2 MET 83 66.510 6.395 -2.066 638 HE3 MET 83 HE3 MET 83 65.232 5.279 -2.509 639 H VAL 84 HN VAL 84 69.045 8.564 -7.216 640 HA VAL 84 HA VAL 84 70.704 6.164 -6.720 641 HB VAL 84 HB VAL 84 71.744 6.412 -8.883 642 HG11 VAL 84 HG11 VAL 84 69.506 5.205 -8.651 643 HG12 VAL 84 HG12 VAL 84 69.918 5.736 -10.282 644 HG13 VAL 84 HG13 VAL 84 68.758 6.653 -9.320 645 HG21 VAL 84 HG21 VAL 84 70.746 8.129 -10.486 646 HG22 VAL 84 HG22 VAL 84 71.737 8.788 -9.185 647 HG23 VAL 84 HG23 VAL 84 69.978 8.863 -9.080 648 H THR 85 HN THR 85 72.647 6.585 -5.848 649 HA THR 85 HA THR 85 73.761 9.320 -5.901 650 HB THR 85 HB THR 85 73.926 9.501 -3.535 651 HG1 THR 85 HG1 THR 85 74.126 6.857 -3.727 652 HG21 THR 85 HG21 THR 85 71.334 7.972 -3.808 653 HG22 THR 85 HG22 THR 85 71.541 9.565 -4.538 654 HG23 THR 85 HG23 THR 85 71.675 9.374 -2.797 655 H SER 86 HN SER 86 76.100 9.337 -5.470 656 HA SER 86 HA SER 86 77.428 6.759 -5.136 657 HB2 SER 86 HB2 SER 86 76.917 6.921 -7.589 658 HB3 SER 86 HB1 SER 86 77.928 8.362 -7.651 659 HG SER 86 HG SER 86 79.671 7.163 -7.362 660 H ALA 87 HN ALA 87 79.370 6.934 -4.176 661 HA ALA 87 HA ALA 87 80.744 9.558 -4.153 662 HB1 ALA 87 HB1 ALA 87 80.337 7.776 -1.739 663 HB2 ALA 87 HB2 ALA 87 79.502 9.303 -2.031 664 HB3 ALA 87 HB3 ALA 87 81.247 9.284 -1.785 665 H PHE 88 HN PHE 88 82.983 9.463 -4.003 666 HA PHE 88 HA PHE 88 84.162 7.063 -5.045 667 HB2 PHE 88 HB2 PHE 88 85.391 9.693 -4.195 668 HB3 PHE 88 HB1 PHE 88 86.254 8.398 -5.026 669 HD1 PHE 88 HD2 PHE 88 85.623 7.746 -7.340 670 HD2 PHE 88 HD1 PHE 88 83.822 11.098 -5.351 671 HE1 PHE 88 HE2 PHE 88 84.772 8.579 -9.516 672 HE2 PHE 88 HE1 PHE 88 82.970 11.932 -7.523 673 HZ PHE 88 HZ PHE 88 83.444 10.672 -9.608 674 H LEU 89 HN LEU 89 86.181 6.184 -4.178 675 HA LEU 89 HA LEU 89 86.291 6.129 -1.221 676 HB2 LEU 89 HB2 LEU 89 85.148 4.095 -2.043 677 HB3 LEU 89 HB1 LEU 89 86.520 3.752 -3.093 678 HG LEU 89 HG LEU 89 87.988 3.549 -1.126 679 HD11 LEU 89 HD11 LEU 89 87.185 4.924 0.565 680 HD12 LEU 89 HD12 LEU 89 86.620 3.357 1.137 681 HD13 LEU 89 HD13 LEU 89 85.508 4.445 0.308 682 HD21 LEU 89 HD21 LEU 89 86.548 1.622 -2.044 683 HD22 LEU 89 HD22 LEU 89 85.501 1.892 -0.650 684 HD23 LEU 89 HD23 LEU 89 87.182 1.418 -0.412 685 H THR 90 HN THR 90 88.349 6.203 -0.388 686 HA THR 90 HA THR 90 90.628 5.870 -2.238 687 HB THR 90 HB THR 90 90.267 8.255 -0.409 688 HG1 THR 90 HG1 THR 90 89.858 7.791 -3.138 689 HG21 THR 90 HG21 THR 90 92.605 7.585 -0.619 690 HG22 THR 90 HG22 THR 90 92.330 9.045 -1.568 691 HG23 THR 90 HG23 THR 90 92.444 7.480 -2.373 692 H VAL 91 HN VAL 91 92.154 4.624 -1.380 693 HA VAL 91 HA VAL 91 92.526 4.614 1.554 694 HB VAL 91 HB VAL 91 92.435 2.079 -0.078 695 HG11 VAL 91 HG11 VAL 91 92.063 2.327 2.903 696 HG12 VAL 91 HG12 VAL 91 93.691 2.358 2.224 697 HG13 VAL 91 HG13 VAL 91 92.658 0.961 1.960 698 HG21 VAL 91 HG21 VAL 91 90.273 3.445 1.549 699 HG22 VAL 91 HG22 VAL 91 90.210 1.741 1.102 700 HG23 VAL 91 HG23 VAL 91 90.206 2.982 -0.151 701 H ARG 92 HN ARG 92 94.614 4.902 2.056 702 HA ARG 92 HA ARG 92 96.639 4.813 0.025 703 HB2 ARG 92 HB2 ARG 92 96.733 5.356 2.996 704 HB3 ARG 92 HB1 ARG 92 98.150 5.430 1.947 705 HG2 ARG 92 HG2 ARG 92 97.051 7.139 0.560 706 HG3 ARG 92 HG1 ARG 92 95.616 7.055 1.580 707 HD2 ARG 92 HD2 ARG 92 96.981 7.758 3.531 708 HD3 ARG 92 HD1 ARG 92 98.390 7.888 2.481 709 HE ARG 92 HE ARG 92 96.495 9.479 1.284 710 HH11 ARG 92 HH21 ARG 92 97.200 9.207 4.627 711 HH12 ARG 92 HH22 ARG 92 97.377 10.912 4.884 712 HH21 ARG 92 HH11 ARG 92 97.059 11.721 1.528 713 HH22 ARG 92 HH12 ARG 92 97.300 12.335 3.130 714 H GLY 93 HN GLY 93 98.727 3.702 0.374 715 HA2 GLY 93 HA2 GLY 93 98.292 0.913 1.264 716 HA3 GLY 93 HA1 GLY 93 99.495 1.441 0.089 717 H GLY 94 HN GLY 94 101.336 0.694 1.126 718 HA2 GLY 94 HA2 GLY 94 102.220 2.257 3.422 719 HA3 GLY 94 HA1 GLY 94 102.053 0.527 3.708 720 H LEU 95 HN LEU 95 104.453 1.094 4.158 721 HA LEU 95 HA LEU 95 106.054 0.766 1.673 722 HB2 LEU 95 HB2 LEU 95 106.642 2.111 4.306 723 HB3 LEU 95 HB1 LEU 95 107.964 1.493 3.317 724 HG LEU 95 HG LEU 95 107.234 2.869 1.427 725 HD11 LEU 95 HD11 LEU 95 104.924 3.111 1.521 726 HD12 LEU 95 HD12 LEU 95 105.426 4.684 2.128 727 HD13 LEU 95 HD13 LEU 95 104.911 3.429 3.255 728 HD21 LEU 95 HD21 LEU 95 107.966 4.962 2.292 729 HD22 LEU 95 HD22 LEU 95 108.709 3.763 3.348 730 HD23 LEU 95 HD23 LEU 95 107.273 4.638 3.881 731 H GLU 96 HN GLU 96 106.985 -1.172 1.397 732 HA GLU 96 HA GLU 96 107.025 -3.060 3.661 733 HB2 GLU 96 HB2 GLU 96 107.650 -4.687 1.739 734 HB3 GLU 96 HB1 GLU 96 105.998 -4.080 1.821 735 HG2 GLU 96 HG2 GLU 96 106.468 -2.401 0.137 736 HG3 GLU 96 HG1 GLU 96 108.176 -2.834 0.126 737 H HIS 97 HN HIS 97 108.828 -3.248 4.785 738 HA HIS 97 HA HIS 97 111.436 -2.645 3.499 739 HB2 HIS 97 HB2 HIS 97 110.636 -2.647 6.423 740 HB3 HIS 97 HB1 HIS 97 112.250 -2.293 5.806 741 HD1 HIS 97 HD1 HIS 97 112.490 -0.105 4.311 742 HD2 HIS 97 HD2 HIS 97 108.810 -0.534 6.217 743 HE1 HIS 97 HE1 HIS 97 111.343 2.149 4.164 744 H HIS 98 HN HIS 98 109.478 -5.155 4.388 745 HA HIS 98 HA HIS 98 111.611 -6.931 5.333 746 HB2 HIS 98 HB2 HIS 98 109.060 -8.273 4.884 747 HB3 HIS 98 HB1 HIS 98 109.923 -8.018 6.399 748 HD1 HIS 98 HD1 HIS 98 107.016 -6.864 4.473 749 HD2 HIS 98 HD2 HIS 98 109.307 -5.404 7.635 750 HE1 HIS 98 HE1 HIS 98 105.696 -4.960 5.495 751 H HIS 99 HN HIS 99 111.036 -5.770 2.450 752 HA HIS 99 HA HIS 99 110.764 -8.205 0.888 753 HB2 HIS 99 HB2 HIS 99 109.913 -5.921 0.141 754 HB3 HIS 99 HB1 HIS 99 111.600 -5.486 -0.135 755 HD1 HIS 99 HD1 HIS 99 109.138 -8.212 -1.163 756 HD2 HIS 99 HD2 HIS 99 112.564 -6.321 -2.600 757 HE1 HIS 99 HE1 HIS 99 109.554 -9.147 -3.478 758 H HIS 100 HN HIS 100 113.180 -7.213 2.742 759 HA HIS 100 HA HIS 100 115.365 -7.631 0.812 760 HB2 HIS 100 HB2 HIS 100 115.300 -6.748 3.699 761 HB3 HIS 100 HB1 HIS 100 116.796 -7.116 2.839 762 HD1 HIS 100 HD1 HIS 100 117.296 -5.627 0.667 763 HD2 HIS 100 HD2 HIS 100 114.211 -4.241 3.105 764 HE1 HIS 100 HE1 HIS 100 116.863 -3.228 -0.020 765 H HIS 101 HN HIS 101 114.350 -8.925 4.003 766 HA HIS 101 HA HIS 101 115.038 -11.617 3.146 767 HB2 HIS 101 HB2 HIS 101 117.215 -10.723 3.916 768 HB3 HIS 101 HB1 HIS 101 116.490 -10.325 5.473 769 HD1 HIS 101 HD1 HIS 101 117.801 -13.174 3.466 770 HD2 HIS 101 HD2 HIS 101 115.776 -12.630 7.071 771 HE1 HIS 101 HE1 HIS 101 117.930 -15.381 4.700 772 H HIS 102 HN HIS 102 112.832 -12.024 3.530 773 HA HIS 102 HA HIS 102 110.913 -12.404 4.756 774 HB2 HIS 102 HB2 HIS 102 113.030 -13.444 6.650 775 HB3 HIS 102 HB1 HIS 102 111.313 -13.834 6.733 776 HD1 HIS 102 HD1 HIS 102 110.329 -14.917 4.389 777 HD2 HIS 102 HD2 HIS 102 114.443 -15.165 5.014 778 HE1 HIS 102 HE1 HIS 102 111.183 -16.733 2.840 Start of MODEL 5 1 H1 THR 1 HT1 THR 1 56.942 1.721 -2.962 2 H2 THR 1 HT2 THR 1 56.668 2.408 -4.493 3 H3 THR 1 HT3 THR 1 57.288 0.833 -4.367 4 HA THR 1 HA THR 1 54.975 0.711 -4.947 5 HB THR 1 HB THR 1 55.731 -1.064 -3.499 6 HG1 THR 1 HG1 THR 1 53.596 -0.489 -1.949 7 HG21 THR 1 HG21 THR 1 56.835 0.332 -1.799 8 HG22 THR 1 HG22 THR 1 55.718 -0.802 -1.038 9 HG23 THR 1 HG23 THR 1 55.263 0.892 -1.227 10 H ALA 2 HN ALA 2 55.766 2.911 -2.378 11 HA ALA 2 HA ALA 2 53.100 4.151 -2.623 12 HB1 ALA 2 HB1 ALA 2 53.001 4.389 -0.154 13 HB2 ALA 2 HB2 ALA 2 54.436 3.373 -0.024 14 HB3 ALA 2 HB3 ALA 2 52.937 2.707 -0.673 15 H LYS 3 HN LYS 3 56.418 4.370 -1.366 16 HA LYS 3 HA LYS 3 56.669 7.080 -2.288 17 HB2 LYS 3 HB2 LYS 3 55.363 7.321 -0.144 18 HB3 LYS 3 HB1 LYS 3 56.718 6.583 0.697 19 HG2 LYS 3 HG2 LYS 3 56.995 8.947 0.936 20 HG3 LYS 3 HG1 LYS 3 58.187 8.427 -0.248 21 HD2 LYS 3 HD2 LYS 3 56.953 9.319 -2.063 22 HD3 LYS 3 HD1 LYS 3 55.467 9.416 -1.122 23 HE2 LYS 3 HE2 LYS 3 56.302 11.648 -1.312 24 HE3 LYS 3 HE1 LYS 3 56.657 11.137 0.337 25 HZ1 LYS 3 HZ1 LYS 3 58.736 10.418 -1.480 26 HZ2 LYS 3 HZ2 LYS 3 58.824 11.304 -0.031 27 HZ3 LYS 3 HZ3 LYS 3 58.454 12.091 -1.490 28 H ASN 4 HN ASN 4 58.787 7.259 -2.924 29 HA ASN 4 HA ASN 4 60.858 6.005 -1.249 30 HB2 ASN 4 HB2 ASN 4 61.994 5.128 -3.225 31 HB3 ASN 4 HB1 ASN 4 60.377 4.440 -3.115 32 HD21 ASN 4 HD21 ASN 4 58.833 4.997 -4.775 33 HD22 ASN 4 HD22 ASN 4 59.263 5.912 -6.140 34 H THR 5 HN THR 5 62.012 7.786 -0.588 35 HA THR 5 HA THR 5 62.924 9.645 -2.681 36 HB THR 5 HB THR 5 61.539 10.551 -0.143 37 HG1 THR 5 HG1 THR 5 60.410 11.504 -2.299 38 HG21 THR 5 HG21 THR 5 61.790 12.806 -1.186 39 HG22 THR 5 HG22 THR 5 62.777 12.076 -2.453 40 HG23 THR 5 HG23 THR 5 63.338 12.065 -0.783 41 H VAL 6 HN VAL 6 65.035 9.485 -2.507 42 HA VAL 6 HA VAL 6 66.426 8.736 -0.154 43 HB VAL 6 HB VAL 6 67.249 8.531 -2.550 44 HG11 VAL 6 HG11 VAL 6 66.786 11.013 -3.028 45 HG12 VAL 6 HG12 VAL 6 68.340 10.391 -3.580 46 HG13 VAL 6 HG13 VAL 6 68.251 11.350 -2.107 47 HG21 VAL 6 HG21 VAL 6 69.089 9.782 -0.490 48 HG22 VAL 6 HG22 VAL 6 69.610 8.833 -1.883 49 HG23 VAL 6 HG23 VAL 6 68.675 8.070 -0.598 50 H VAL 7 HN VAL 7 67.116 9.843 1.521 51 HA VAL 7 HA VAL 7 66.647 12.732 1.658 52 HB VAL 7 HB VAL 7 67.619 10.788 3.766 53 HG11 VAL 7 HG11 VAL 7 66.705 13.669 3.841 54 HG12 VAL 7 HG12 VAL 7 68.227 12.999 4.428 55 HG13 VAL 7 HG13 VAL 7 66.723 12.650 5.279 56 HG21 VAL 7 HG21 VAL 7 64.846 11.894 3.245 57 HG22 VAL 7 HG22 VAL 7 65.300 10.839 4.584 58 HG23 VAL 7 HG23 VAL 7 65.357 10.236 2.926 59 H ARG 8 HN ARG 8 69.205 10.333 2.006 60 HA ARG 8 HA ARG 8 71.168 12.154 0.908 61 HB2 ARG 8 HB2 ARG 8 71.420 12.715 3.261 62 HB3 ARG 8 HB1 ARG 8 71.489 11.007 3.696 63 HG2 ARG 8 HG2 ARG 8 73.575 10.724 2.444 64 HG3 ARG 8 HG1 ARG 8 73.481 12.383 1.856 65 HD2 ARG 8 HD2 ARG 8 73.633 11.621 4.784 66 HD3 ARG 8 HD1 ARG 8 75.035 12.053 3.813 67 HE ARG 8 HE ARG 8 73.103 13.865 4.927 68 HH11 ARG 8 HH21 ARG 8 75.522 13.336 2.515 69 HH12 ARG 8 HH22 ARG 8 75.621 14.997 2.049 70 HH21 ARG 8 HH11 ARG 8 73.121 16.033 4.222 71 HH22 ARG 8 HH12 ARG 8 74.256 16.525 3.010 72 H GLY 9 HN GLY 9 72.984 11.059 0.162 73 HA2 GLY 9 HA2 GLY 9 72.625 8.133 -0.156 74 HA3 GLY 9 HA1 GLY 9 73.390 9.186 -1.328 75 H LEU 10 HN LEU 10 75.332 8.211 -1.435 76 HA LEU 10 HA LEU 10 76.843 7.544 0.943 77 HB2 LEU 10 HB2 LEU 10 77.735 7.530 -1.948 78 HB3 LEU 10 HB1 LEU 10 78.466 6.663 -0.598 79 HG LEU 10 HG LEU 10 75.671 6.220 -1.687 80 HD11 LEU 10 HD11 LEU 10 76.986 5.114 -3.229 81 HD12 LEU 10 HD12 LEU 10 76.840 3.845 -2.020 82 HD13 LEU 10 HD13 LEU 10 78.302 4.833 -2.090 83 HD21 LEU 10 HD21 LEU 10 77.126 5.192 0.736 84 HD22 LEU 10 HD22 LEU 10 75.965 4.146 -0.076 85 HD23 LEU 10 HD23 LEU 10 75.447 5.700 0.572 86 H GLU 11 HN GLU 11 78.998 8.337 1.337 87 HA GLU 11 HA GLU 11 79.571 11.054 0.316 88 HB2 GLU 11 HB2 GLU 11 79.541 10.141 3.199 89 HB3 GLU 11 HB1 GLU 11 80.384 11.595 2.663 90 HG2 GLU 11 HG2 GLU 11 78.263 12.488 1.768 91 HG3 GLU 11 HG1 GLU 11 77.424 11.039 2.327 92 H ASN 12 HN ASN 12 81.811 11.626 0.409 93 HA ASN 12 HA ASN 12 83.572 9.567 -0.321 94 HB2 ASN 12 HB2 ASN 12 84.279 12.284 0.813 95 HB3 ASN 12 HB1 ASN 12 85.343 11.236 -0.121 96 HD21 ASN 12 HD21 ASN 12 83.356 10.378 -2.077 97 HD22 ASN 12 HD22 ASN 12 82.990 11.727 -3.039 98 H VAL 13 HN VAL 13 85.294 8.580 0.798 99 HA VAL 13 HA VAL 13 85.328 8.879 3.742 100 HB VAL 13 HB VAL 13 85.261 6.211 2.304 101 HG11 VAL 13 HG11 VAL 13 85.467 7.012 5.215 102 HG12 VAL 13 HG12 VAL 13 86.583 6.006 4.292 103 HG13 VAL 13 HG13 VAL 13 84.977 5.393 4.708 104 HG21 VAL 13 HG21 VAL 13 83.062 7.310 2.299 105 HG22 VAL 13 HG22 VAL 13 83.191 7.609 4.032 106 HG23 VAL 13 HG23 VAL 13 83.059 5.956 3.432 107 H GLU 14 HN GLU 14 87.327 8.975 4.570 108 HA GLU 14 HA GLU 14 89.623 8.208 2.840 109 HB2 GLU 14 HB2 GLU 14 89.346 10.656 2.970 110 HB3 GLU 14 HB1 GLU 14 89.418 10.568 4.731 111 HG2 GLU 14 HG2 GLU 14 91.686 9.689 4.638 112 HG3 GLU 14 HG1 GLU 14 91.619 9.614 2.879 113 H ALA 15 HN ALA 15 90.957 6.736 3.726 114 HA ALA 15 HA ALA 15 91.505 6.765 6.581 115 HB1 ALA 15 HB1 ALA 15 90.379 4.236 5.371 116 HB2 ALA 15 HB2 ALA 15 89.409 5.370 6.312 117 HB3 ALA 15 HB3 ALA 15 90.773 4.543 7.061 118 H LEU 16 HN LEU 16 93.394 5.667 7.147 119 HA LEU 16 HA LEU 16 95.269 5.276 5.001 120 HB2 LEU 16 HB2 LEU 16 95.402 5.032 8.004 121 HB3 LEU 16 HB1 LEU 16 96.737 4.475 6.997 122 HG LEU 16 HG LEU 16 96.904 6.712 5.970 123 HD11 LEU 16 HD11 LEU 16 94.668 7.536 6.081 124 HD12 LEU 16 HD12 LEU 16 95.600 8.572 7.160 125 HD13 LEU 16 HD13 LEU 16 94.584 7.291 7.825 126 HD21 LEU 16 HD21 LEU 16 97.816 7.869 7.912 127 HD22 LEU 16 HD22 LEU 16 98.178 6.149 8.052 128 HD23 LEU 16 HD23 LEU 16 96.869 6.858 9.001 129 H GLU 17 HN GLU 17 96.564 3.282 4.795 130 HA GLU 17 HA GLU 17 95.130 1.060 4.085 131 HB2 GLU 17 HB2 GLU 17 97.494 1.453 3.530 132 HB3 GLU 17 HB1 GLU 17 97.946 1.100 5.193 133 HG2 GLU 17 HG2 GLU 17 97.048 -1.177 4.972 134 HG3 GLU 17 HG1 GLU 17 96.527 -0.823 3.325 135 H GLY 18 HN GLY 18 94.620 -0.907 4.997 136 HA2 GLY 18 HA2 GLY 18 93.959 -2.411 6.581 137 HA3 GLY 18 HA1 GLY 18 95.230 -1.764 7.612 138 H GLY 19 HN GLY 19 92.747 0.345 6.372 139 HA2 GLY 19 HA2 GLY 19 91.777 0.793 9.114 140 HA3 GLY 19 HA1 GLY 19 91.524 1.846 7.730 141 H GLU 20 HN GLU 20 89.355 1.677 8.896 142 HA GLU 20 HA GLU 20 87.713 -0.461 7.646 143 HB2 GLU 20 HB2 GLU 20 87.789 -0.650 10.116 144 HB3 GLU 20 HB1 GLU 20 87.234 1.014 10.259 145 HG2 GLU 20 HG2 GLU 20 85.141 0.443 9.128 146 HG3 GLU 20 HG1 GLU 20 85.700 -1.208 8.872 147 H ALA 21 HN ALA 21 85.542 0.295 6.978 148 HA ALA 21 HA ALA 21 85.249 3.227 6.795 149 HB1 ALA 21 HB1 ALA 21 84.629 2.811 4.265 150 HB2 ALA 21 HB2 ALA 21 85.672 1.407 4.449 151 HB3 ALA 21 HB3 ALA 21 86.313 3.019 4.737 152 H LEU 22 HN LEU 22 83.173 3.958 6.614 153 HA LEU 22 HA LEU 22 81.047 1.911 6.480 154 HB2 LEU 22 HB2 LEU 22 81.105 4.290 8.349 155 HB3 LEU 22 HB1 LEU 22 79.774 3.154 8.165 156 HG LEU 22 HG LEU 22 81.662 1.350 8.725 157 HD11 LEU 22 HD11 LEU 22 82.702 3.910 9.982 158 HD12 LEU 22 HD12 LEU 22 83.557 2.877 8.841 159 HD13 LEU 22 HD13 LEU 22 83.213 2.295 10.464 160 HD21 LEU 22 HD21 LEU 22 81.040 1.544 11.119 161 HD22 LEU 22 HD22 LEU 22 79.636 1.748 10.071 162 HD23 LEU 22 HD23 LEU 22 80.395 3.158 10.813 163 H PHE 23 HN PHE 23 79.791 2.239 4.825 164 HA PHE 23 HA PHE 23 79.278 4.998 3.865 165 HB2 PHE 23 HB2 PHE 23 79.398 2.323 2.465 166 HB3 PHE 23 HB1 PHE 23 78.582 3.700 1.743 167 HD1 PHE 23 HD2 PHE 23 79.838 5.679 1.036 168 HD2 PHE 23 HD1 PHE 23 81.814 2.247 2.702 169 HE1 PHE 23 HE2 PHE 23 82.005 6.505 0.167 170 HE2 PHE 23 HE1 PHE 23 83.982 3.072 1.826 171 HZ PHE 23 HZ PHE 23 84.073 5.203 0.556 172 H GLU 24 HN GLU 24 77.392 5.518 5.001 173 HA GLU 24 HA GLU 24 75.102 3.643 4.667 174 HB2 GLU 24 HB2 GLU 24 74.266 4.281 6.820 175 HB3 GLU 24 HB1 GLU 24 75.938 3.768 7.016 176 HG2 GLU 24 HG2 GLU 24 76.587 6.217 6.854 177 HG3 GLU 24 HG1 GLU 24 74.867 6.595 6.954 178 H CYS 25 HN CYS 25 73.017 4.579 4.578 179 HA CYS 25 HA CYS 25 72.848 7.443 3.949 180 HB2 CYS 25 HB2 CYS 25 71.416 6.592 1.876 181 HB3 CYS 25 HB1 CYS 25 73.164 6.768 1.752 182 HG CYS 25 HG CYS 25 71.928 3.994 2.469 183 H GLN 26 HN GLN 26 70.685 8.219 3.883 184 HA GLN 26 HA GLN 26 68.781 6.579 5.464 185 HB2 GLN 26 HB2 GLN 26 68.983 9.587 5.158 186 HB3 GLN 26 HB1 GLN 26 67.844 8.727 6.190 187 HG2 GLN 26 HG2 GLN 26 69.748 7.763 7.451 188 HG3 GLN 26 HG1 GLN 26 70.864 8.669 6.430 189 HE21 GLN 26 HE21 GLN 26 68.447 10.796 6.554 190 HE22 GLN 26 HE22 GLN 26 68.821 11.637 7.980 191 H LEU 27 HN LEU 27 67.310 5.698 4.148 192 HA LEU 27 HA LEU 27 66.294 7.286 1.852 193 HB2 LEU 27 HB2 LEU 27 67.656 5.205 1.386 194 HB3 LEU 27 HB1 LEU 27 66.366 4.271 2.134 195 HG LEU 27 HG LEU 27 65.604 6.203 -0.051 196 HD11 LEU 27 HD11 LEU 27 67.080 3.595 -0.456 197 HD12 LEU 27 HD12 LEU 27 67.449 5.178 -1.147 198 HD13 LEU 27 HD13 LEU 27 66.033 4.288 -1.698 199 HD21 LEU 27 HD21 LEU 27 63.828 4.947 1.035 200 HD22 LEU 27 HD22 LEU 27 64.684 3.432 0.787 201 HD23 LEU 27 HD23 LEU 27 64.034 4.315 -0.594 202 H SER 28 HN SER 28 64.165 7.700 1.760 203 HA SER 28 HA SER 28 62.451 6.776 3.937 204 HB2 SER 28 HB2 SER 28 62.437 9.158 3.235 205 HB3 SER 28 HB1 SER 28 61.856 8.666 1.645 206 HG SER 28 HG SER 28 60.247 9.309 3.313 207 H GLN 29 HN GLN 29 62.001 4.651 3.499 208 HA GLN 29 HA GLN 29 59.858 3.961 1.860 209 HB2 GLN 29 HB2 GLN 29 61.806 4.262 0.135 210 HB3 GLN 29 HB1 GLN 29 62.399 2.743 0.781 211 HG2 GLN 29 HG2 GLN 29 60.291 1.650 0.222 212 HG3 GLN 29 HG1 GLN 29 59.615 3.176 -0.331 213 HE21 GLN 29 HE21 GLN 29 59.376 1.847 -2.437 214 HE22 GLN 29 HE22 GLN 29 60.710 1.825 -3.490 215 HA PRO 30 HA PRO 30 60.913 1.129 5.328 216 HB2 PRO 30 HB2 PRO 30 58.148 0.246 5.407 217 HB3 PRO 30 HB1 PRO 30 59.036 1.207 6.600 218 HG2 PRO 30 HG2 PRO 30 57.006 2.118 4.852 219 HG3 PRO 30 HG1 PRO 30 58.039 3.103 5.896 220 HD2 PRO 30 HD2 PRO 30 58.142 2.809 2.983 221 HD3 PRO 30 HD1 PRO 30 58.974 3.989 4.020 222 H GLU 31 HN GLU 31 59.444 0.371 2.250 223 HA GLU 31 HA GLU 31 60.672 -2.287 2.409 224 HB2 GLU 31 HB2 GLU 31 58.684 -3.446 1.636 225 HB3 GLU 31 HB1 GLU 31 58.332 -2.628 3.155 226 HG2 GLU 31 HG2 GLU 31 57.363 -0.726 1.844 227 HG3 GLU 31 HG1 GLU 31 57.596 -1.673 0.374 228 H VAL 32 HN VAL 32 61.572 -2.881 0.527 229 HA VAL 32 HA VAL 32 60.876 -1.313 -1.891 230 HB VAL 32 HB VAL 32 63.131 -1.018 -2.407 231 HG11 VAL 32 HG11 VAL 32 63.969 0.214 -0.521 232 HG12 VAL 32 HG12 VAL 32 63.078 -0.802 0.609 233 HG13 VAL 32 HG13 VAL 32 62.212 0.314 -0.445 234 HG21 VAL 32 HG21 VAL 32 63.626 -3.169 -0.346 235 HG22 VAL 32 HG22 VAL 32 64.923 -2.088 -0.854 236 HG23 VAL 32 HG23 VAL 32 64.138 -3.137 -2.032 237 H ALA 33 HN ALA 33 60.168 -2.494 -3.445 238 HA ALA 33 HA ALA 33 60.402 -5.359 -3.460 239 HB1 ALA 33 HB1 ALA 33 58.818 -5.285 -5.217 240 HB2 ALA 33 HB2 ALA 33 59.219 -3.611 -5.612 241 HB3 ALA 33 HB3 ALA 33 58.363 -3.986 -4.115 242 H ALA 34 HN ALA 34 62.580 -3.060 -4.481 243 HA ALA 34 HA ALA 34 63.971 -4.952 -6.114 244 HB1 ALA 34 HB1 ALA 34 63.927 -3.743 -8.218 245 HB2 ALA 34 HB2 ALA 34 62.890 -2.500 -7.517 246 HB3 ALA 34 HB3 ALA 34 62.273 -4.137 -7.742 247 H HIS 35 HN HIS 35 65.928 -4.629 -5.243 248 HA HIS 35 HA HIS 35 67.039 -1.887 -5.297 249 HB2 HIS 35 HB2 HIS 35 66.734 -3.705 -2.959 250 HB3 HIS 35 HB1 HIS 35 68.306 -2.920 -3.102 251 HD1 HIS 35 HD1 HIS 35 65.139 -1.239 -4.250 252 HD2 HIS 35 HD2 HIS 35 67.805 -1.037 -1.056 253 HE1 HIS 35 HE1 HIS 35 64.560 0.862 -2.963 254 H THR 36 HN THR 36 69.000 -1.720 -6.104 255 HA THR 36 HA THR 36 70.631 -4.164 -6.501 256 HB THR 36 HB THR 36 70.187 -1.911 -8.478 257 HG1 THR 36 HG1 THR 36 69.015 -4.329 -8.051 258 HG21 THR 36 HG21 THR 36 71.556 -3.452 -9.960 259 HG22 THR 36 HG22 THR 36 71.973 -4.353 -8.502 260 HG23 THR 36 HG23 THR 36 72.454 -2.664 -8.662 261 H TRP 37 HN TRP 37 72.475 -3.937 -5.423 262 HA TRP 37 HA TRP 37 73.699 -1.235 -5.187 263 HB2 TRP 37 HB2 TRP 37 72.666 -2.321 -3.083 264 HB3 TRP 37 HB1 TRP 37 74.015 -3.442 -3.154 265 HD1 TRP 37 HD1 TRP 37 76.169 -1.113 -4.150 266 HE1 TRP 37 HE1 TRP 37 77.041 0.510 -2.369 267 HE3 TRP 37 HE3 TRP 37 72.519 -1.643 -0.613 268 HZ2 TRP 37 HZ2 TRP 37 76.306 1.459 0.212 269 HZ3 TRP 37 HZ3 TRP 37 72.636 -0.360 1.496 270 HH2 TRP 37 HH2 TRP 37 74.521 1.195 1.922 271 H LEU 38 HN LEU 38 75.406 -1.203 -6.483 272 HA LEU 38 HA LEU 38 77.345 -3.448 -6.352 273 HB2 LEU 38 HB2 LEU 38 76.497 -1.985 -8.863 274 HB3 LEU 38 HB1 LEU 38 77.853 -3.103 -8.760 275 HG LEU 38 HG LEU 38 74.953 -3.798 -8.172 276 HD11 LEU 38 HD11 LEU 38 76.789 -4.337 -10.531 277 HD12 LEU 38 HD12 LEU 38 75.249 -3.476 -10.546 278 HD13 LEU 38 HD13 LEU 38 75.283 -5.216 -10.265 279 HD21 LEU 38 HD21 LEU 38 76.146 -6.192 -8.452 280 HD22 LEU 38 HD22 LEU 38 76.106 -5.373 -6.896 281 HD23 LEU 38 HD23 LEU 38 77.554 -5.289 -7.893 282 H LEU 39 HN LEU 39 79.138 -2.736 -5.490 283 HA LEU 39 HA LEU 39 80.007 0.061 -5.892 284 HB2 LEU 39 HB2 LEU 39 81.769 -0.975 -4.068 285 HB3 LEU 39 HB1 LEU 39 80.238 -0.256 -3.608 286 HG LEU 39 HG LEU 39 79.170 -2.485 -3.693 287 HD11 LEU 39 HD11 LEU 39 82.032 -3.462 -3.990 288 HD12 LEU 39 HD12 LEU 39 80.800 -3.565 -5.246 289 HD13 LEU 39 HD13 LEU 39 80.616 -4.485 -3.755 290 HD21 LEU 39 HD21 LEU 39 81.490 -1.941 -1.851 291 HD22 LEU 39 HD22 LEU 39 80.498 -3.387 -1.656 292 HD23 LEU 39 HD23 LEU 39 79.763 -1.793 -1.539 293 H ASP 40 HN ASP 40 82.562 -2.083 -5.112 294 HA ASP 40 HA ASP 40 83.829 -1.764 -7.603 295 HB2 ASP 40 HB2 ASP 40 84.149 -4.061 -5.612 296 HB3 ASP 40 HB1 ASP 40 85.284 -3.640 -6.888 297 H ASP 41 HN ASP 41 84.052 -3.682 -9.168 298 HA ASP 41 HA ASP 41 81.486 -4.428 -10.017 299 HB2 ASP 41 HB2 ASP 41 83.445 -4.186 -11.523 300 HB3 ASP 41 HB1 ASP 41 84.098 -5.686 -10.864 301 H GLU 42 HN GLU 42 81.869 -5.387 -7.298 302 HA GLU 42 HA GLU 42 81.471 -8.292 -7.774 303 HB2 GLU 42 HB2 GLU 42 82.449 -8.753 -5.581 304 HB3 GLU 42 HB1 GLU 42 83.610 -7.867 -6.573 305 HG2 GLU 42 HG2 GLU 42 82.589 -5.748 -5.458 306 HG3 GLU 42 HG1 GLU 42 81.943 -6.872 -4.270 307 HA PRO 43 HA PRO 43 77.483 -7.438 -5.942 308 HB2 PRO 43 HB2 PRO 43 77.344 -10.010 -4.590 309 HB3 PRO 43 HB1 PRO 43 76.464 -9.487 -6.030 310 HG2 PRO 43 HG2 PRO 43 78.701 -11.288 -5.863 311 HG3 PRO 43 HG1 PRO 43 77.765 -10.828 -7.290 312 HD2 PRO 43 HD2 PRO 43 80.447 -10.076 -6.691 313 HD3 PRO 43 HD1 PRO 43 79.442 -9.462 -8.022 314 H VAL 44 HN VAL 44 77.062 -6.360 -4.030 315 HA VAL 44 HA VAL 44 79.132 -6.528 -1.987 316 HB VAL 44 HB VAL 44 78.434 -4.363 -2.740 317 HG11 VAL 44 HG11 VAL 44 75.980 -5.183 -3.119 318 HG12 VAL 44 HG12 VAL 44 76.271 -3.511 -2.646 319 HG13 VAL 44 HG13 VAL 44 75.746 -4.686 -1.442 320 HG21 VAL 44 HG21 VAL 44 77.421 -4.725 0.082 321 HG22 VAL 44 HG22 VAL 44 78.249 -3.327 -0.603 322 HG23 VAL 44 HG23 VAL 44 79.132 -4.828 -0.333 323 H ARG 45 HN ARG 45 78.724 -8.545 -1.223 324 HA ARG 45 HA ARG 45 76.868 -8.607 1.015 325 HB2 ARG 45 HB2 ARG 45 76.964 -10.738 -1.152 326 HB3 ARG 45 HB1 ARG 45 76.303 -11.033 0.451 327 HG2 ARG 45 HG2 ARG 45 75.290 -8.749 -1.246 328 HG3 ARG 45 HG1 ARG 45 74.664 -10.377 -1.456 329 HD2 ARG 45 HD2 ARG 45 74.628 -8.805 1.141 330 HD3 ARG 45 HD1 ARG 45 73.250 -9.085 0.091 331 HE ARG 45 HE ARG 45 74.406 -10.971 1.947 332 HH11 ARG 45 HH11 ARG 45 71.735 -10.254 0.067 333 HH12 ARG 45 HH12 ARG 45 71.296 -11.897 -0.280 334 HH21 ARG 45 HH21 ARG 45 74.210 -13.232 1.059 335 HH22 ARG 45 HH22 ARG 45 72.702 -13.586 0.286 336 H THR 46 HN THR 46 78.548 -11.280 -0.405 337 HA THR 46 HA THR 46 80.388 -12.493 0.184 338 HB THR 46 HB THR 46 82.372 -11.311 0.351 339 HG1 THR 46 HG1 THR 46 80.905 -9.742 2.140 340 HG21 THR 46 HG21 THR 46 82.207 -9.459 -1.051 341 HG22 THR 46 HG22 THR 46 80.716 -8.894 -0.302 342 HG23 THR 46 HG23 THR 46 80.685 -10.285 -1.388 343 H SER 47 HN SER 47 81.948 -11.216 2.736 344 HA SER 47 HA SER 47 80.245 -12.531 4.783 345 HB2 SER 47 HB2 SER 47 81.882 -14.041 5.336 346 HB3 SER 47 HB1 SER 47 82.315 -13.799 3.647 347 HG SER 47 HG SER 47 83.995 -13.544 5.390 348 H GLU 48 HN GLU 48 82.518 -12.349 6.712 349 HA GLU 48 HA GLU 48 81.851 -9.949 7.970 350 HB2 GLU 48 HB2 GLU 48 84.323 -11.680 8.193 351 HB3 GLU 48 HB1 GLU 48 84.075 -10.259 9.201 352 HG2 GLU 48 HG2 GLU 48 83.221 -11.983 10.538 353 HG3 GLU 48 HG1 GLU 48 81.767 -11.356 9.770 354 H ASN 49 HN ASN 49 84.503 -10.673 5.759 355 HA ASN 49 HA ASN 49 85.785 -8.148 5.904 356 HB2 ASN 49 HB2 ASN 49 85.756 -10.259 3.740 357 HB3 ASN 49 HB1 ASN 49 86.806 -8.841 3.713 358 HD21 ASN 49 HD21 ASN 49 86.949 -9.062 6.818 359 HD22 ASN 49 HD22 ASN 49 88.084 -10.295 7.068 360 H ALA 50 HN ALA 50 82.728 -8.623 5.045 361 HA ALA 50 HA ALA 50 82.217 -6.149 3.950 362 HB1 ALA 50 HB1 ALA 50 83.285 -6.367 1.918 363 HB2 ALA 50 HB2 ALA 50 81.783 -7.177 1.469 364 HB3 ALA 50 HB3 ALA 50 83.194 -8.127 1.949 365 H GLU 51 HN GLU 51 80.045 -5.891 4.176 366 HA GLU 51 HA GLU 51 78.076 -7.643 3.258 367 HB2 GLU 51 HB2 GLU 51 78.850 -9.244 4.973 368 HB3 GLU 51 HB1 GLU 51 78.626 -8.030 6.222 369 HG2 GLU 51 HG2 GLU 51 76.220 -7.970 5.763 370 HG3 GLU 51 HG1 GLU 51 76.423 -9.102 4.428 371 H VAL 52 HN VAL 52 75.972 -6.748 3.524 372 HA VAL 52 HA VAL 52 75.936 -4.103 4.792 373 HB VAL 52 HB VAL 52 73.776 -5.317 3.064 374 HG11 VAL 52 HG11 VAL 52 73.370 -3.151 4.219 375 HG12 VAL 52 HG12 VAL 52 73.399 -2.972 2.464 376 HG13 VAL 52 HG13 VAL 52 74.792 -2.481 3.421 377 HG21 VAL 52 HG21 VAL 52 76.421 -4.139 2.205 378 HG22 VAL 52 HG22 VAL 52 75.025 -4.212 1.133 379 HG23 VAL 52 HG23 VAL 52 75.740 -5.700 1.762 380 H VAL 53 HN VAL 53 74.012 -3.523 6.053 381 HA VAL 53 HA VAL 53 72.460 -5.770 7.160 382 HB VAL 53 HB VAL 53 72.913 -4.893 9.471 383 HG11 VAL 53 HG11 VAL 53 75.023 -6.034 9.682 384 HG12 VAL 53 HG12 VAL 53 75.433 -5.706 7.998 385 HG13 VAL 53 HG13 VAL 53 74.142 -6.843 8.388 386 HG21 VAL 53 HG21 VAL 53 74.894 -3.450 9.750 387 HG22 VAL 53 HG22 VAL 53 73.672 -2.638 8.769 388 HG23 VAL 53 HG23 VAL 53 75.083 -3.371 8.000 389 H PHE 54 HN PHE 54 70.457 -5.169 8.011 390 HA PHE 54 HA PHE 54 69.509 -2.511 7.156 391 HB2 PHE 54 HB2 PHE 54 68.242 -5.186 7.587 392 HB3 PHE 54 HB1 PHE 54 67.232 -3.770 7.841 393 HD1 PHE 54 HD1 PHE 54 69.851 -4.847 5.348 394 HD2 PHE 54 HD2 PHE 54 65.949 -3.158 5.998 395 HE1 PHE 54 HE1 PHE 54 69.522 -4.645 2.892 396 HE2 PHE 54 HE2 PHE 54 65.628 -2.956 3.549 397 HZ PHE 54 HZ PHE 54 67.415 -3.700 1.999 398 H PHE 55 HN PHE 55 68.643 -1.037 8.481 399 HA PHE 55 HA PHE 55 68.397 -1.643 11.376 400 HB2 PHE 55 HB2 PHE 55 69.779 0.672 10.044 401 HB3 PHE 55 HB1 PHE 55 68.995 0.925 11.590 402 HD1 PHE 55 HD1 PHE 55 71.246 -1.609 9.965 403 HD2 PHE 55 HD2 PHE 55 70.350 0.703 13.472 404 HE1 PHE 55 HE1 PHE 55 73.238 -2.538 11.090 405 HE2 PHE 55 HE2 PHE 55 72.351 -0.228 14.593 406 HZ PHE 55 HZ PHE 55 73.802 -1.839 13.390 407 H GLU 56 HN GLU 56 66.666 -0.604 12.384 408 HA GLU 56 HA GLU 56 64.440 0.022 12.399 409 HB2 GLU 56 HB2 GLU 56 65.889 2.140 12.407 410 HB3 GLU 56 HB1 GLU 56 65.433 2.311 10.717 411 HG2 GLU 56 HG2 GLU 56 63.077 2.424 11.302 412 HG3 GLU 56 HG1 GLU 56 63.444 2.059 12.987 413 H ASN 57 HN ASN 57 64.946 -1.851 10.375 414 HA ASN 57 HA ASN 57 63.830 -2.839 8.648 415 HB2 ASN 57 HB2 ASN 57 61.865 -1.672 9.778 416 HB3 ASN 57 HB1 ASN 57 62.008 -0.447 8.519 417 HD21 ASN 57 HD21 ASN 57 62.495 -3.991 8.204 418 HD22 ASN 57 HD22 ASN 57 61.259 -4.204 7.063 419 H GLY 58 HN GLY 58 66.145 -1.327 7.924 420 HA2 GLY 58 HA2 GLY 58 67.138 -0.928 5.857 421 HA3 GLY 58 HA1 GLY 58 65.551 -0.984 5.110 422 H LEU 59 HN LEU 59 65.235 1.071 7.644 423 HA LEU 59 HA LEU 59 65.062 3.363 5.981 424 HB2 LEU 59 HB2 LEU 59 64.041 2.702 8.401 425 HB3 LEU 59 HB1 LEU 59 65.360 3.736 8.926 426 HG LEU 59 HG LEU 59 63.263 4.522 6.877 427 HD11 LEU 59 HD11 LEU 59 63.541 5.148 9.822 428 HD12 LEU 59 HD12 LEU 59 62.206 4.314 9.027 429 HD13 LEU 59 HD13 LEU 59 62.477 6.031 8.729 430 HD21 LEU 59 HD21 LEU 59 65.162 5.839 6.430 431 HD22 LEU 59 HD22 LEU 59 65.627 5.926 8.128 432 HD23 LEU 59 HD23 LEU 59 64.244 6.849 7.541 433 H ARG 60 HN ARG 60 67.633 1.825 7.587 434 HA ARG 60 HA ARG 60 69.503 3.935 6.755 435 HB2 ARG 60 HB2 ARG 60 69.312 2.889 9.585 436 HB3 ARG 60 HB1 ARG 60 70.702 3.771 8.959 437 HG2 ARG 60 HG2 ARG 60 69.242 5.682 8.418 438 HG3 ARG 60 HG1 ARG 60 67.854 4.802 9.065 439 HD2 ARG 60 HD2 ARG 60 68.955 4.668 11.261 440 HD3 ARG 60 HD1 ARG 60 70.339 5.554 10.627 441 HE ARG 60 HE ARG 60 67.704 6.656 11.264 442 HH11 ARG 60 HH11 ARG 60 71.015 7.222 10.926 443 HH12 ARG 60 HH12 ARG 60 70.863 8.871 10.419 444 HH21 ARG 60 HH21 ARG 60 67.409 8.725 10.081 445 HH22 ARG 60 HH22 ARG 60 68.819 9.718 9.926 446 H HIS 61 HN HIS 61 70.317 2.502 5.190 447 HA HIS 61 HA HIS 61 71.194 -0.155 5.997 448 HB2 HIS 61 HB2 HIS 61 71.638 1.335 3.405 449 HB3 HIS 61 HB1 HIS 61 71.960 -0.376 3.693 450 HD1 HIS 61 HD1 HIS 61 69.284 1.962 2.769 451 HD2 HIS 61 HD2 HIS 61 69.523 -1.911 4.284 452 HE1 HIS 61 HE1 HIS 61 67.006 0.919 2.427 453 H LEU 62 HN LEU 62 73.224 -0.778 6.542 454 HA LEU 62 HA LEU 62 75.376 1.278 6.440 455 HB2 LEU 62 HB2 LEU 62 75.388 -1.096 8.305 456 HB3 LEU 62 HB1 LEU 62 76.296 0.399 8.424 457 HG LEU 62 HG LEU 62 73.304 0.089 8.816 458 HD11 LEU 62 HD11 LEU 62 75.425 0.921 10.810 459 HD12 LEU 62 HD12 LEU 62 74.908 -0.754 10.619 460 HD13 LEU 62 HD13 LEU 62 73.751 0.473 11.138 461 HD21 LEU 62 HD21 LEU 62 75.117 2.512 8.972 462 HD22 LEU 62 HD22 LEU 62 73.470 2.467 9.595 463 HD23 LEU 62 HD23 LEU 62 73.764 2.273 7.868 464 H LEU 63 HN LEU 63 77.171 0.765 5.301 465 HA LEU 63 HA LEU 63 77.512 -2.033 4.341 466 HB2 LEU 63 HB2 LEU 63 76.998 -0.754 2.428 467 HB3 LEU 63 HB1 LEU 63 77.918 0.631 2.991 468 HG LEU 63 HG LEU 63 80.033 -0.601 2.610 469 HD11 LEU 63 HD11 LEU 63 79.918 -2.797 1.418 470 HD12 LEU 63 HD12 LEU 63 78.178 -2.801 1.672 471 HD13 LEU 63 HD13 LEU 63 79.265 -2.878 3.053 472 HD21 LEU 63 HD21 LEU 63 80.034 -0.393 0.270 473 HD22 LEU 63 HD22 LEU 63 78.708 0.659 0.755 474 HD23 LEU 63 HD23 LEU 63 78.365 -0.949 0.122 475 H LEU 64 HN LEU 64 79.063 -2.876 5.693 476 HA LEU 64 HA LEU 64 81.306 -1.174 6.492 477 HB2 LEU 64 HB2 LEU 64 80.034 -3.700 7.479 478 HB3 LEU 64 HB1 LEU 64 81.707 -3.366 7.924 479 HG LEU 64 HG LEU 64 79.712 -1.139 8.243 480 HD11 LEU 64 HD11 LEU 64 78.547 -3.092 9.224 481 HD12 LEU 64 HD12 LEU 64 79.059 -1.950 10.468 482 HD13 LEU 64 HD13 LEU 64 79.970 -3.440 10.210 483 HD21 LEU 64 HD21 LEU 64 82.180 -0.931 8.688 484 HD22 LEU 64 HD22 LEU 64 81.990 -2.099 9.997 485 HD23 LEU 64 HD23 LEU 64 81.167 -0.540 10.078 486 H LEU 65 HN LEU 65 83.247 -1.365 5.857 487 HA LEU 65 HA LEU 65 84.126 -3.650 4.179 488 HB2 LEU 65 HB2 LEU 65 85.182 -0.810 4.208 489 HB3 LEU 65 HB1 LEU 65 85.734 -2.108 3.159 490 HG LEU 65 HG LEU 65 82.915 -0.976 3.200 491 HD11 LEU 65 HD11 LEU 65 84.749 0.521 2.281 492 HD12 LEU 65 HD12 LEU 65 83.475 0.114 1.132 493 HD13 LEU 65 HD13 LEU 65 85.031 -0.707 1.047 494 HD21 LEU 65 HD21 LEU 65 82.656 -3.172 2.421 495 HD22 LEU 65 HD22 LEU 65 84.264 -3.218 1.697 496 HD23 LEU 65 HD23 LEU 65 82.968 -2.310 0.916 497 H LYS 66 HN LYS 66 86.636 -3.983 4.495 498 HA LYS 66 HA LYS 66 87.592 -3.209 7.125 499 HB2 LYS 66 HB2 LYS 66 86.233 -5.187 7.602 500 HB3 LYS 66 HB1 LYS 66 87.094 -6.093 6.358 501 HG2 LYS 66 HG2 LYS 66 89.164 -5.938 7.591 502 HG3 LYS 66 HG1 LYS 66 88.426 -4.863 8.784 503 HD2 LYS 66 HD2 LYS 66 86.918 -6.623 9.497 504 HD3 LYS 66 HD1 LYS 66 87.492 -7.689 8.209 505 HE2 LYS 66 HE2 LYS 66 88.621 -8.328 10.235 506 HE3 LYS 66 HE1 LYS 66 89.788 -7.512 9.196 507 HZ1 LYS 66 HZ1 LYS 66 89.449 -6.876 11.735 508 HZ2 LYS 66 HZ2 LYS 66 88.286 -5.844 11.052 509 HZ3 LYS 66 HZ3 LYS 66 89.912 -5.737 10.565 510 H ASN 67 HN ASN 67 89.825 -3.962 7.473 511 HA ASN 67 HA ASN 67 92.022 -3.723 6.681 512 HB2 ASN 67 HB2 ASN 67 91.444 -6.184 6.729 513 HB3 ASN 67 HB1 ASN 67 91.137 -6.074 4.996 514 HD21 ASN 67 HD21 ASN 67 92.959 -7.294 4.251 515 HD22 ASN 67 HD22 ASN 67 94.565 -6.805 4.516 516 H LEU 68 HN LEU 68 90.760 -1.777 5.471 517 HA LEU 68 HA LEU 68 90.388 -1.875 2.719 518 HB2 LEU 68 HB2 LEU 68 91.236 0.434 4.461 519 HB3 LEU 68 HB1 LEU 68 90.675 0.589 2.799 520 HG LEU 68 HG LEU 68 89.068 -0.661 5.040 521 HD11 LEU 68 HD11 LEU 68 87.866 1.365 5.199 522 HD12 LEU 68 HD12 LEU 68 88.550 1.998 3.706 523 HD13 LEU 68 HD13 LEU 68 89.548 1.873 5.155 524 HD21 LEU 68 HD21 LEU 68 87.235 -0.062 3.172 525 HD22 LEU 68 HD22 LEU 68 88.110 -1.589 3.148 526 HD23 LEU 68 HD23 LEU 68 88.621 -0.268 2.098 527 H ARG 69 HN ARG 69 91.801 -2.557 1.318 528 HA ARG 69 HA ARG 69 94.641 -1.823 1.548 529 HB2 ARG 69 HB2 ARG 69 94.637 -3.490 -0.549 530 HB3 ARG 69 HB1 ARG 69 94.596 -4.104 1.103 531 HG2 ARG 69 HG2 ARG 69 92.143 -4.284 0.986 532 HG3 ARG 69 HG1 ARG 69 92.171 -3.623 -0.647 533 HD2 ARG 69 HD2 ARG 69 92.006 -6.011 -0.826 534 HD3 ARG 69 HD1 ARG 69 93.638 -5.554 -1.312 535 HE ARG 69 HE ARG 69 94.174 -6.110 1.177 536 HH11 ARG 69 HH21 ARG 69 93.482 -8.202 -1.222 537 HH12 ARG 69 HH22 ARG 69 92.875 -9.495 -0.246 538 HH21 ARG 69 HH11 ARG 69 92.665 -7.567 2.633 539 HH22 ARG 69 HH12 ARG 69 92.413 -9.136 1.945 540 HA PRO 70 HA PRO 70 94.436 1.324 -1.518 541 HB2 PRO 70 HB2 PRO 70 96.511 0.328 -3.270 542 HB3 PRO 70 HB1 PRO 70 96.643 1.600 -2.049 543 HG2 PRO 70 HG2 PRO 70 97.557 -1.163 -1.931 544 HG3 PRO 70 HG1 PRO 70 97.958 0.191 -0.867 545 HD2 PRO 70 HD2 PRO 70 96.339 -1.984 -0.169 546 HD3 PRO 70 HD1 PRO 70 96.387 -0.433 0.689 547 H GLN 71 HN GLN 71 94.795 -1.977 -2.698 548 HA GLN 71 HA GLN 71 93.874 -1.701 -5.308 549 HB2 GLN 71 HB2 GLN 71 94.860 -3.767 -4.530 550 HB3 GLN 71 HB1 GLN 71 93.557 -4.000 -3.367 551 HG2 GLN 71 HG2 GLN 71 91.927 -4.253 -5.190 552 HG3 GLN 71 HG1 GLN 71 93.182 -3.907 -6.382 553 HE21 GLN 71 HE21 GLN 71 91.667 -6.391 -6.300 554 HE22 GLN 71 HE22 GLN 71 92.762 -7.643 -5.958 555 H ASP 72 HN ASP 72 91.927 -2.671 -2.437 556 HA ASP 72 HA ASP 72 89.486 -2.865 -3.581 557 HB2 ASP 72 HB2 ASP 72 89.962 -3.315 -1.210 558 HB3 ASP 72 HB1 ASP 72 90.078 -1.582 -0.907 559 H SER 73 HN SER 73 91.151 0.224 -2.760 560 HA SER 73 HA SER 73 89.166 2.023 -2.816 561 HB2 SER 73 HB2 SER 73 91.708 2.318 -4.420 562 HB3 SER 73 HB1 SER 73 90.726 3.609 -3.732 563 HG SER 73 HG SER 73 91.484 1.672 -1.941 564 H CYS 74 HN CYS 74 87.511 2.409 -4.043 565 HA CYS 74 HA CYS 74 87.660 2.674 -6.882 566 HB2 CYS 74 HB2 CYS 74 86.913 0.045 -5.743 567 HB3 CYS 74 HB1 CYS 74 85.826 0.635 -6.995 568 HG CYS 74 HG CYS 74 88.519 1.011 -8.104 569 H ARG 75 HN ARG 75 84.988 2.170 -7.539 570 HA ARG 75 HA ARG 75 83.717 4.424 -6.199 571 HB2 ARG 75 HB2 ARG 75 82.889 2.733 -8.549 572 HB3 ARG 75 HB1 ARG 75 81.962 4.100 -7.934 573 HG2 ARG 75 HG2 ARG 75 83.959 5.555 -8.285 574 HG3 ARG 75 HG1 ARG 75 84.782 4.178 -9.026 575 HD2 ARG 75 HD2 ARG 75 82.951 3.968 -10.658 576 HD3 ARG 75 HD1 ARG 75 82.162 5.375 -9.936 577 HE ARG 75 HE ARG 75 84.783 6.121 -10.653 578 HH11 ARG 75 HH21 ARG 75 83.739 4.321 -12.987 579 HH12 ARG 75 HH22 ARG 75 83.149 5.534 -14.071 580 HH21 ARG 75 HH11 ARG 75 83.182 8.055 -11.687 581 HH22 ARG 75 HH12 ARG 75 82.835 7.651 -13.335 582 H VAL 76 HN VAL 76 81.862 4.421 -5.077 583 HA VAL 76 HA VAL 76 80.674 1.813 -4.327 584 HB VAL 76 HB VAL 76 80.708 4.331 -2.656 585 HG11 VAL 76 HG11 VAL 76 79.982 2.875 -0.871 586 HG12 VAL 76 HG12 VAL 76 80.215 1.446 -1.879 587 HG13 VAL 76 HG13 VAL 76 78.929 2.588 -2.255 588 HG21 VAL 76 HG21 VAL 76 82.475 3.180 -1.324 589 HG22 VAL 76 HG22 VAL 76 83.013 3.571 -2.956 590 HG23 VAL 76 HG23 VAL 76 82.545 1.919 -2.554 591 H THR 77 HN THR 77 78.827 1.683 -5.568 592 HA THR 77 HA THR 77 77.110 4.115 -5.687 593 HB THR 77 HB THR 77 76.536 3.646 -7.882 594 HG1 THR 77 HG1 THR 77 75.876 1.614 -7.914 595 HG21 THR 77 HG21 THR 77 79.016 4.113 -7.565 596 HG22 THR 77 HG22 THR 77 78.578 3.323 -9.080 597 HG23 THR 77 HG23 THR 77 79.277 2.381 -7.762 598 H PHE 78 HN PHE 78 75.078 4.001 -5.154 599 HA PHE 78 HA PHE 78 73.858 1.394 -4.450 600 HB2 PHE 78 HB2 PHE 78 74.461 2.486 -2.399 601 HB3 PHE 78 HB1 PHE 78 73.852 4.034 -2.974 602 HD1 PHE 78 HD2 PHE 78 72.542 0.520 -2.716 603 HD2 PHE 78 HD1 PHE 78 71.846 4.695 -1.985 604 HE1 PHE 78 HE2 PHE 78 70.333 -0.020 -1.725 605 HE2 PHE 78 HE1 PHE 78 69.639 4.154 -0.993 606 HZ PHE 78 HZ PHE 78 68.885 1.796 -0.861 607 H LEU 79 HN LEU 79 72.173 1.044 -5.782 608 HA LEU 79 HA LEU 79 70.657 3.391 -6.803 609 HB2 LEU 79 HB2 LEU 79 71.863 2.367 -8.597 610 HB3 LEU 79 HB1 LEU 79 71.330 0.759 -8.118 611 HG LEU 79 HG LEU 79 69.051 1.243 -8.743 612 HD11 LEU 79 HD11 LEU 79 68.606 3.554 -9.829 613 HD12 LEU 79 HD12 LEU 79 70.070 4.074 -8.990 614 HD13 LEU 79 HD13 LEU 79 68.687 3.477 -8.070 615 HD21 LEU 79 HD21 LEU 79 71.062 2.206 -10.787 616 HD22 LEU 79 HD22 LEU 79 69.371 1.890 -11.165 617 HD23 LEU 79 HD23 LEU 79 70.409 0.578 -10.606 618 H ALA 80 HN ALA 80 69.093 3.422 -5.242 619 HA ALA 80 HA ALA 80 67.234 1.109 -5.147 620 HB1 ALA 80 HB1 ALA 80 66.588 2.385 -2.908 621 HB2 ALA 80 HB2 ALA 80 68.217 3.026 -3.062 622 HB3 ALA 80 HB3 ALA 80 67.964 1.286 -2.949 623 H GLY 81 HN GLY 81 65.456 1.529 -6.337 624 HA2 GLY 81 HA2 GLY 81 63.655 2.649 -7.252 625 HA3 GLY 81 HA1 GLY 81 63.723 3.684 -5.826 626 H ASP 82 HN ASP 82 62.966 5.147 -7.804 627 HA ASP 82 HA ASP 82 64.683 6.028 -9.766 628 HB2 ASP 82 HB2 ASP 82 62.248 6.533 -9.517 629 HB3 ASP 82 HB1 ASP 82 62.663 7.709 -8.271 630 H MET 83 HN MET 83 66.140 5.908 -7.131 631 HA MET 83 HA MET 83 67.224 8.665 -7.174 632 HB2 MET 83 HB2 MET 83 67.005 6.906 -4.727 633 HB3 MET 83 HB1 MET 83 67.563 8.572 -4.802 634 HG2 MET 83 HG2 MET 83 65.380 8.998 -4.171 635 HG3 MET 83 HG1 MET 83 65.107 8.901 -5.908 636 HE1 MET 83 HE1 MET 83 65.698 6.726 -2.811 637 HE2 MET 83 HE2 MET 83 64.242 5.746 -2.690 638 HE3 MET 83 HE3 MET 83 64.145 7.484 -2.435 639 H VAL 84 HN VAL 84 69.421 8.770 -7.465 640 HA VAL 84 HA VAL 84 71.011 6.308 -6.985 641 HB VAL 84 HB VAL 84 70.685 6.385 -9.359 642 HG11 VAL 84 HG11 VAL 84 71.637 9.259 -9.267 643 HG12 VAL 84 HG12 VAL 84 69.952 8.771 -9.440 644 HG13 VAL 84 HG13 VAL 84 71.122 8.366 -10.696 645 HG21 VAL 84 HG21 VAL 84 73.370 7.705 -8.880 646 HG22 VAL 84 HG22 VAL 84 72.948 6.529 -10.125 647 HG23 VAL 84 HG23 VAL 84 73.042 6.029 -8.438 648 H THR 85 HN THR 85 72.890 6.600 -5.958 649 HA THR 85 HA THR 85 74.137 9.255 -5.822 650 HB THR 85 HB THR 85 74.054 9.458 -3.487 651 HG1 THR 85 HG1 THR 85 74.698 7.553 -2.719 652 HG21 THR 85 HG21 THR 85 71.483 7.977 -4.134 653 HG22 THR 85 HG22 THR 85 71.794 9.658 -4.561 654 HG23 THR 85 HG23 THR 85 71.714 9.182 -2.871 655 H SER 86 HN SER 86 76.374 9.155 -5.534 656 HA SER 86 HA SER 86 77.629 6.557 -4.969 657 HB2 SER 86 HB2 SER 86 78.308 8.115 -7.470 658 HB3 SER 86 HB1 SER 86 78.934 6.540 -6.986 659 HG SER 86 HG SER 86 77.101 5.623 -7.569 660 H ALA 87 HN ALA 87 79.672 6.720 -4.077 661 HA ALA 87 HA ALA 87 80.903 9.404 -3.882 662 HB1 ALA 87 HB1 ALA 87 80.408 7.490 -1.587 663 HB2 ALA 87 HB2 ALA 87 79.629 9.056 -1.824 664 HB3 ALA 87 HB3 ALA 87 81.358 8.971 -1.494 665 H PHE 88 HN PHE 88 83.131 9.419 -3.665 666 HA PHE 88 HA PHE 88 84.493 7.150 -4.767 667 HB2 PHE 88 HB2 PHE 88 85.689 9.675 -3.622 668 HB3 PHE 88 HB1 PHE 88 86.444 8.553 -4.759 669 HD1 PHE 88 HD2 PHE 88 85.299 8.195 -7.036 670 HD2 PHE 88 HD1 PHE 88 84.367 11.460 -4.406 671 HE1 PHE 88 HE2 PHE 88 84.294 9.440 -8.932 672 HE2 PHE 88 HE1 PHE 88 83.362 12.704 -6.298 673 HZ PHE 88 HZ PHE 88 83.325 11.692 -8.562 674 H LEU 89 HN LEU 89 86.444 6.256 -3.887 675 HA LEU 89 HA LEU 89 86.500 6.058 -0.931 676 HB2 LEU 89 HB2 LEU 89 85.616 3.972 -1.830 677 HB3 LEU 89 HB1 LEU 89 86.948 3.870 -2.976 678 HG LEU 89 HG LEU 89 88.555 3.577 -1.181 679 HD11 LEU 89 HD11 LEU 89 86.197 4.278 0.554 680 HD12 LEU 89 HD12 LEU 89 87.851 4.874 0.634 681 HD13 LEU 89 HD13 LEU 89 87.473 3.251 1.203 682 HD21 LEU 89 HD21 LEU 89 87.928 1.387 -0.510 683 HD22 LEU 89 HD22 LEU 89 87.040 1.637 -2.014 684 HD23 LEU 89 HD23 LEU 89 86.213 1.800 -0.465 685 H THR 90 HN THR 90 88.421 6.484 -0.035 686 HA THR 90 HA THR 90 90.817 6.576 -1.790 687 HB THR 90 HB THR 90 90.102 8.567 0.374 688 HG1 THR 90 HG1 THR 90 89.462 9.847 -1.213 689 HG21 THR 90 HG21 THR 90 92.062 9.790 -0.629 690 HG22 THR 90 HG22 THR 90 92.415 8.334 -1.560 691 HG23 THR 90 HG23 THR 90 92.490 8.292 0.200 692 H VAL 91 HN VAL 91 92.231 5.138 -1.097 693 HA VAL 91 HA VAL 91 92.692 4.889 1.823 694 HB VAL 91 HB VAL 91 92.606 2.559 -0.111 695 HG11 VAL 91 HG11 VAL 91 92.931 1.171 1.799 696 HG12 VAL 91 HG12 VAL 91 92.655 2.510 2.912 697 HG13 VAL 91 HG13 VAL 91 94.130 2.452 1.953 698 HG21 VAL 91 HG21 VAL 91 90.515 1.938 0.941 699 HG22 VAL 91 HG22 VAL 91 90.355 3.583 0.344 700 HG23 VAL 91 HG23 VAL 91 90.620 3.292 2.064 701 H ARG 92 HN ARG 92 94.777 5.460 2.201 702 HA ARG 92 HA ARG 92 96.742 5.140 0.039 703 HB2 ARG 92 HB2 ARG 92 96.474 7.357 1.094 704 HB3 ARG 92 HB1 ARG 92 96.948 6.657 2.643 705 HG2 ARG 92 HG2 ARG 92 99.131 6.053 1.761 706 HG3 ARG 92 HG1 ARG 92 98.665 6.584 0.143 707 HD2 ARG 92 HD2 ARG 92 98.775 8.380 2.584 708 HD3 ARG 92 HD1 ARG 92 100.024 8.293 1.346 709 HE ARG 92 HE ARG 92 97.398 9.540 1.084 710 HH11 ARG 92 HH11 ARG 92 100.159 8.184 -0.497 711 HH12 ARG 92 HH12 ARG 92 99.970 9.129 -1.936 712 HH21 ARG 92 HH21 ARG 92 97.182 10.833 -0.777 713 HH22 ARG 92 HH22 ARG 92 98.288 10.632 -2.092 714 H GLY 93 HN GLY 93 98.489 3.885 0.166 715 HA2 GLY 93 HA2 GLY 93 99.371 2.682 2.645 716 HA3 GLY 93 HA1 GLY 93 98.630 1.551 1.517 717 H GLY 94 HN GLY 94 99.625 3.256 -0.764 718 HA2 GLY 94 HA2 GLY 94 102.144 1.878 -1.099 719 HA3 GLY 94 HA1 GLY 94 101.349 2.909 -2.283 720 H LEU 95 HN LEU 95 104.029 2.640 -0.462 721 HA LEU 95 HA LEU 95 104.359 5.520 0.099 722 HB2 LEU 95 HB2 LEU 95 106.177 3.210 0.810 723 HB3 LEU 95 HB1 LEU 95 106.251 4.856 1.435 724 HG LEU 95 HG LEU 95 103.942 2.931 1.830 725 HD11 LEU 95 HD11 LEU 95 106.102 2.426 3.060 726 HD12 LEU 95 HD12 LEU 95 104.705 2.707 4.097 727 HD13 LEU 95 HD13 LEU 95 105.912 3.976 3.879 728 HD21 LEU 95 HD21 LEU 95 104.411 5.816 2.569 729 HD22 LEU 95 HD22 LEU 95 103.417 4.804 3.614 730 HD23 LEU 95 HD23 LEU 95 102.952 5.054 1.934 731 H GLU 96 HN GLU 96 105.752 6.772 -1.049 732 HA GLU 96 HA GLU 96 106.946 5.656 -3.458 733 HB2 GLU 96 HB2 GLU 96 106.767 8.467 -2.358 734 HB3 GLU 96 HB1 GLU 96 107.614 8.062 -3.851 735 HG2 GLU 96 HG2 GLU 96 105.586 7.183 -4.834 736 HG3 GLU 96 HG1 GLU 96 104.711 7.373 -3.315 737 H HIS 97 HN HIS 97 107.924 6.106 -0.255 738 HA HIS 97 HA HIS 97 110.746 6.574 -0.879 739 HB2 HIS 97 HB2 HIS 97 109.277 6.198 1.740 740 HB3 HIS 97 HB1 HIS 97 111.013 6.484 1.606 741 HD1 HIS 97 HD1 HIS 97 111.725 8.798 0.446 742 HD2 HIS 97 HD2 HIS 97 107.710 8.511 1.531 743 HE1 HIS 97 HE1 HIS 97 110.801 11.154 0.398 744 H HIS 98 HN HIS 98 108.879 3.982 -1.184 745 HA HIS 98 HA HIS 98 110.424 2.003 0.253 746 HB2 HIS 98 HB2 HIS 98 107.993 1.727 -0.255 747 HB3 HIS 98 HB1 HIS 98 108.408 1.601 -1.967 748 HD1 HIS 98 HD1 HIS 98 108.612 -0.258 1.274 749 HD2 HIS 98 HD2 HIS 98 109.797 -0.799 -2.686 750 HE1 HIS 98 HE1 HIS 98 109.327 -2.679 1.066 751 H HIS 99 HN HIS 99 112.188 0.960 -0.442 752 HA HIS 99 HA HIS 99 112.867 1.066 -3.334 753 HB2 HIS 99 HB2 HIS 99 114.269 2.603 -1.889 754 HB3 HIS 99 HB1 HIS 99 114.889 1.161 -1.088 755 HD1 HIS 99 HD1 HIS 99 114.396 2.263 -4.720 756 HD2 HIS 99 HD2 HIS 99 117.182 0.290 -2.333 757 HE1 HIS 99 HE1 HIS 99 116.345 1.684 -6.228 758 H HIS 100 HN HIS 100 112.847 -0.880 -4.173 759 HA HIS 100 HA HIS 100 113.400 -3.245 -2.472 760 HB2 HIS 100 HB2 HIS 100 111.182 -3.074 -3.665 761 HB3 HIS 100 HB1 HIS 100 112.068 -3.150 -5.187 762 HD1 HIS 100 HD1 HIS 100 111.707 -5.190 -1.986 763 HD2 HIS 100 HD2 HIS 100 112.556 -5.733 -6.029 764 HE1 HIS 100 HE1 HIS 100 111.876 -7.693 -2.353 765 H HIS 101 HN HIS 101 115.228 -1.293 -4.081 766 HA HIS 101 HA HIS 101 117.083 -1.406 -5.443 767 HB2 HIS 101 HB2 HIS 101 117.846 -2.661 -3.442 768 HB3 HIS 101 HB1 HIS 101 117.292 -4.156 -4.194 769 HD1 HIS 101 HD1 HIS 101 119.713 -1.298 -4.890 770 HD2 HIS 101 HD2 HIS 101 119.148 -5.293 -5.934 771 HE1 HIS 101 HE1 HIS 101 121.740 -1.975 -6.253 772 H HIS 102 HN HIS 102 114.424 -2.725 -6.339 773 HA HIS 102 HA HIS 102 114.878 -4.886 -8.030 774 HB2 HIS 102 HB2 HIS 102 112.651 -3.857 -7.464 775 HB3 HIS 102 HB1 HIS 102 113.028 -2.558 -8.595 776 HD1 HIS 102 HD1 HIS 102 112.729 -3.025 -11.067 777 HD2 HIS 102 HD2 HIS 102 112.350 -6.460 -8.736 778 HE1 HIS 102 HE1 HIS 102 111.835 -4.834 -12.598 Start of MODEL 6 1 H1 THR 1 HT1 THR 1 56.762 1.025 -1.768 2 H2 THR 1 HT2 THR 1 57.852 1.060 -3.067 3 H3 THR 1 HT3 THR 1 57.247 -0.423 -2.501 4 HA THR 1 HA THR 1 56.252 1.006 -4.582 5 HB THR 1 HB THR 1 55.945 -1.389 -4.213 6 HG1 THR 1 HG1 THR 1 54.170 -1.275 -5.294 7 HG21 THR 1 HG21 THR 1 54.058 -0.595 -1.978 8 HG22 THR 1 HG22 THR 1 55.678 -1.244 -1.741 9 HG23 THR 1 HG23 THR 1 54.433 -2.236 -2.498 10 H ALA 2 HN ALA 2 56.319 2.693 -2.145 11 HA ALA 2 HA ALA 2 53.644 3.853 -2.408 12 HB1 ALA 2 HB1 ALA 2 54.823 3.225 0.308 13 HB2 ALA 2 HB2 ALA 2 53.568 2.257 -0.469 14 HB3 ALA 2 HB3 ALA 2 53.241 3.932 -0.029 15 H LYS 3 HN LYS 3 56.908 4.045 -1.046 16 HA LYS 3 HA LYS 3 57.194 6.782 -1.921 17 HB2 LYS 3 HB2 LYS 3 57.757 7.594 0.455 18 HB3 LYS 3 HB1 LYS 3 56.047 7.415 0.051 19 HG2 LYS 3 HG2 LYS 3 55.820 5.443 1.314 20 HG3 LYS 3 HG1 LYS 3 57.550 5.117 1.294 21 HD2 LYS 3 HD2 LYS 3 56.672 5.944 3.516 22 HD3 LYS 3 HD1 LYS 3 57.994 6.897 2.846 23 HE2 LYS 3 HE2 LYS 3 56.072 8.264 3.762 24 HE3 LYS 3 HE1 LYS 3 56.478 8.615 2.085 25 HZ1 LYS 3 HZ1 LYS 3 54.433 6.598 2.763 26 HZ2 LYS 3 HZ2 LYS 3 54.631 7.465 1.316 27 HZ3 LYS 3 HZ3 LYS 3 54.036 8.245 2.704 28 H ASN 4 HN ASN 4 59.308 7.329 -2.219 29 HA ASN 4 HA ASN 4 61.408 5.963 -0.736 30 HB2 ASN 4 HB2 ASN 4 62.626 5.865 -3.077 31 HB3 ASN 4 HB1 ASN 4 61.584 4.542 -2.569 32 HD21 ASN 4 HD21 ASN 4 61.093 4.018 -4.834 33 HD22 ASN 4 HD22 ASN 4 60.045 5.000 -5.745 34 H THR 5 HN THR 5 62.318 7.765 0.205 35 HA THR 5 HA THR 5 62.990 10.023 -1.590 36 HB THR 5 HB THR 5 61.461 10.175 1.009 37 HG1 THR 5 HG1 THR 5 60.509 11.728 -0.847 38 HG21 THR 5 HG21 THR 5 62.982 11.932 1.309 39 HG22 THR 5 HG22 THR 5 61.668 12.724 0.443 40 HG23 THR 5 HG23 THR 5 63.124 12.239 -0.422 41 H VAL 6 HN VAL 6 65.128 9.939 -1.530 42 HA VAL 6 HA VAL 6 66.599 9.037 0.751 43 HB VAL 6 HB VAL 6 67.416 8.770 -1.566 44 HG11 VAL 6 HG11 VAL 6 68.173 10.611 -2.856 45 HG12 VAL 6 HG12 VAL 6 68.152 11.699 -1.464 46 HG13 VAL 6 HG13 VAL 6 66.636 11.160 -2.191 47 HG21 VAL 6 HG21 VAL 6 69.287 10.478 0.091 48 HG22 VAL 6 HG22 VAL 6 69.725 9.189 -1.034 49 HG23 VAL 6 HG23 VAL 6 68.914 8.799 0.484 50 H VAL 7 HN VAL 7 67.313 10.103 2.420 51 HA VAL 7 HA VAL 7 66.842 12.952 2.681 52 HB VAL 7 HB VAL 7 68.148 11.032 4.622 53 HG11 VAL 7 HG11 VAL 7 68.551 13.244 5.364 54 HG12 VAL 7 HG12 VAL 7 67.104 12.754 6.246 55 HG13 VAL 7 HG13 VAL 7 66.962 13.803 4.835 56 HG21 VAL 7 HG21 VAL 7 65.867 10.280 3.874 57 HG22 VAL 7 HG22 VAL 7 65.225 11.829 4.427 58 HG23 VAL 7 HG23 VAL 7 65.932 10.702 5.584 59 H ARG 8 HN ARG 8 69.542 10.689 2.723 60 HA ARG 8 HA ARG 8 71.352 12.803 1.803 61 HB2 ARG 8 HB2 ARG 8 71.893 12.923 4.075 62 HB3 ARG 8 HB1 ARG 8 71.646 11.199 4.328 63 HG2 ARG 8 HG2 ARG 8 73.690 10.635 3.229 64 HG3 ARG 8 HG1 ARG 8 73.854 12.246 2.530 65 HD2 ARG 8 HD2 ARG 8 73.911 11.651 5.503 66 HD3 ARG 8 HD1 ARG 8 75.353 11.840 4.506 67 HE ARG 8 HE ARG 8 73.816 14.101 4.055 68 HH11 ARG 8 HH21 ARG 8 74.218 12.688 7.098 69 HH12 ARG 8 HH22 ARG 8 74.949 14.076 7.836 70 HH21 ARG 8 HH11 ARG 8 75.237 15.826 4.854 71 HH22 ARG 8 HH12 ARG 8 75.521 15.859 6.560 72 H GLY 9 HN GLY 9 72.777 12.144 0.391 73 HA2 GLY 9 HA2 GLY 9 72.725 9.359 -0.502 74 HA3 GLY 9 HA1 GLY 9 73.379 10.733 -1.399 75 H LEU 10 HN LEU 10 75.047 8.733 -1.424 76 HA LEU 10 HA LEU 10 76.770 8.560 0.870 77 HB2 LEU 10 HB2 LEU 10 77.108 7.630 -1.991 78 HB3 LEU 10 HB1 LEU 10 78.209 7.232 -0.678 79 HG LEU 10 HG LEU 10 75.237 6.653 -0.574 80 HD11 LEU 10 HD11 LEU 10 76.095 5.381 -2.433 81 HD12 LEU 10 HD12 LEU 10 75.927 4.274 -1.074 82 HD13 LEU 10 HD13 LEU 10 77.518 4.895 -1.516 83 HD21 LEU 10 HD21 LEU 10 75.986 6.492 1.608 84 HD22 LEU 10 HD22 LEU 10 77.610 6.000 1.155 85 HD23 LEU 10 HD23 LEU 10 76.281 4.844 1.075 86 H GLU 11 HN GLU 11 78.971 9.273 0.959 87 HA GLU 11 HA GLU 11 79.682 11.490 -0.875 88 HB2 GLU 11 HB2 GLU 11 80.560 12.765 1.008 89 HB3 GLU 11 HB1 GLU 11 78.856 12.405 1.290 90 HG2 GLU 11 HG2 GLU 11 79.527 10.468 2.701 91 HG3 GLU 11 HG1 GLU 11 81.218 10.913 2.476 92 H ASN 12 HN ASN 12 82.125 12.064 -0.305 93 HA ASN 12 HA ASN 12 83.634 9.780 -1.070 94 HB2 ASN 12 HB2 ASN 12 85.580 11.224 -0.851 95 HB3 ASN 12 HB1 ASN 12 84.276 12.116 -1.632 96 HD21 ASN 12 HD21 ASN 12 86.183 13.684 -0.446 97 HD22 ASN 12 HD22 ASN 12 85.609 14.344 1.010 98 H VAL 13 HN VAL 13 85.291 8.701 0.157 99 HA VAL 13 HA VAL 13 85.047 8.972 3.103 100 HB VAL 13 HB VAL 13 84.911 6.382 1.553 101 HG11 VAL 13 HG11 VAL 13 85.453 6.981 4.462 102 HG12 VAL 13 HG12 VAL 13 86.319 5.888 3.384 103 HG13 VAL 13 HG13 VAL 13 84.711 5.458 3.977 104 HG21 VAL 13 HG21 VAL 13 82.708 7.214 1.694 105 HG22 VAL 13 HG22 VAL 13 82.982 7.945 3.274 106 HG23 VAL 13 HG23 VAL 13 82.818 6.196 3.132 107 H GLU 14 HN GLU 14 86.890 8.927 4.164 108 HA GLU 14 HA GLU 14 89.371 8.224 2.687 109 HB2 GLU 14 HB2 GLU 14 89.109 10.639 3.262 110 HB3 GLU 14 HB1 GLU 14 89.022 10.190 4.961 111 HG2 GLU 14 HG2 GLU 14 91.259 9.208 4.853 112 HG3 GLU 14 HG1 GLU 14 91.346 9.560 3.123 113 H ALA 15 HN ALA 15 90.426 6.498 3.467 114 HA ALA 15 HA ALA 15 90.380 5.930 6.352 115 HB1 ALA 15 HB1 ALA 15 89.283 4.120 4.200 116 HB2 ALA 15 HB2 ALA 15 88.564 4.557 5.748 117 HB3 ALA 15 HB3 ALA 15 89.940 3.451 5.695 118 H LEU 16 HN LEU 16 92.367 5.411 7.030 119 HA LEU 16 HA LEU 16 94.536 5.164 5.192 120 HB2 LEU 16 HB2 LEU 16 94.270 4.935 8.187 121 HB3 LEU 16 HB1 LEU 16 95.803 4.599 7.380 122 HG LEU 16 HG LEU 16 95.773 6.839 6.357 123 HD11 LEU 16 HD11 LEU 16 94.015 8.461 7.306 124 HD12 LEU 16 HD12 LEU 16 93.119 7.020 7.792 125 HD13 LEU 16 HD13 LEU 16 93.463 7.317 6.087 126 HD21 LEU 16 HD21 LEU 16 95.241 6.976 9.341 127 HD22 LEU 16 HD22 LEU 16 96.162 8.135 8.385 128 HD23 LEU 16 HD23 LEU 16 96.780 6.498 8.616 129 H GLU 17 HN GLU 17 96.105 3.344 5.204 130 HA GLU 17 HA GLU 17 94.948 0.949 4.429 131 HB2 GLU 17 HB2 GLU 17 97.278 1.518 3.925 132 HB3 GLU 17 HB1 GLU 17 97.700 1.365 5.631 133 HG2 GLU 17 HG2 GLU 17 97.049 -1.014 5.585 134 HG3 GLU 17 HG1 GLU 17 96.599 -0.862 3.887 135 H GLY 18 HN GLY 18 94.269 -0.850 5.454 136 HA2 GLY 18 HA2 GLY 18 93.604 -2.253 7.127 137 HA3 GLY 18 HA1 GLY 18 94.923 -1.588 8.107 138 H GLY 19 HN GLY 19 92.756 0.677 6.751 139 HA2 GLY 19 HA2 GLY 19 91.776 1.429 9.388 140 HA3 GLY 19 HA1 GLY 19 91.540 2.316 7.890 141 H GLU 20 HN GLU 20 89.339 2.549 8.697 142 HA GLU 20 HA GLU 20 87.628 0.265 7.896 143 HB2 GLU 20 HB2 GLU 20 87.723 0.426 10.374 144 HB3 GLU 20 HB1 GLU 20 87.165 2.095 10.269 145 HG2 GLU 20 HG2 GLU 20 85.091 1.340 9.189 146 HG3 GLU 20 HG1 GLU 20 85.647 -0.326 9.260 147 H ALA 21 HN ALA 21 85.798 0.833 6.743 148 HA ALA 21 HA ALA 21 85.296 3.720 6.271 149 HB1 ALA 21 HB1 ALA 21 85.036 3.174 3.852 150 HB2 ALA 21 HB2 ALA 21 85.594 1.544 4.191 151 HB3 ALA 21 HB3 ALA 21 86.678 2.910 4.437 152 H LEU 22 HN LEU 22 83.163 4.254 6.330 153 HA LEU 22 HA LEU 22 81.177 2.052 6.246 154 HB2 LEU 22 HB2 LEU 22 80.810 4.637 7.775 155 HB3 LEU 22 HB1 LEU 22 79.832 3.184 7.861 156 HG LEU 22 HG LEU 22 81.203 3.270 9.834 157 HD11 LEU 22 HD11 LEU 22 80.932 1.071 8.462 158 HD12 LEU 22 HD12 LEU 22 82.080 1.112 9.799 159 HD13 LEU 22 HD13 LEU 22 82.654 1.260 8.139 160 HD21 LEU 22 HD21 LEU 22 83.044 4.666 8.389 161 HD22 LEU 22 HD22 LEU 22 83.818 3.093 8.438 162 HD23 LEU 22 HD23 LEU 22 83.392 3.897 9.933 163 H PHE 23 HN PHE 23 79.960 2.163 4.432 164 HA PHE 23 HA PHE 23 79.374 4.831 3.276 165 HB2 PHE 23 HB2 PHE 23 79.643 2.056 2.126 166 HB3 PHE 23 HB1 PHE 23 78.654 3.250 1.290 167 HD1 PHE 23 HD1 PHE 23 82.070 2.803 2.787 168 HD2 PHE 23 HD2 PHE 23 79.659 4.771 -0.176 169 HE1 PHE 23 HE1 PHE 23 84.114 3.789 1.769 170 HE2 PHE 23 HE2 PHE 23 81.696 5.758 -1.180 171 HZ PHE 23 HZ PHE 23 83.921 5.265 -0.211 172 H GLU 24 HN GLU 24 77.531 5.394 4.474 173 HA GLU 24 HA GLU 24 75.197 3.609 4.092 174 HB2 GLU 24 HB2 GLU 24 74.563 3.739 6.296 175 HB3 GLU 24 HB1 GLU 24 76.297 3.917 6.512 176 HG2 GLU 24 HG2 GLU 24 75.401 5.666 7.815 177 HG3 GLU 24 HG1 GLU 24 75.845 6.473 6.310 178 H CYS 25 HN CYS 25 73.167 4.577 4.066 179 HA CYS 25 HA CYS 25 73.032 7.466 3.545 180 HB2 CYS 25 HB2 CYS 25 73.167 6.817 1.307 181 HB3 CYS 25 HB1 CYS 25 72.404 5.260 1.601 182 HG CYS 25 HG CYS 25 70.918 7.937 1.132 183 H GLN 26 HN GLN 26 71.004 8.359 4.016 184 HA GLN 26 HA GLN 26 69.173 6.572 5.525 185 HB2 GLN 26 HB2 GLN 26 69.700 9.547 5.741 186 HB3 GLN 26 HB1 GLN 26 68.393 8.718 6.584 187 HG2 GLN 26 HG2 GLN 26 70.036 7.268 7.722 188 HG3 GLN 26 HG1 GLN 26 71.349 8.095 6.880 189 HE21 GLN 26 HE21 GLN 26 72.349 9.465 8.389 190 HE22 GLN 26 HE22 GLN 26 71.515 10.488 9.462 191 H LEU 27 HN LEU 27 67.292 6.117 4.529 192 HA LEU 27 HA LEU 27 66.086 8.187 2.782 193 HB2 LEU 27 HB2 LEU 27 65.296 6.128 1.378 194 HB3 LEU 27 HB1 LEU 27 66.933 6.743 1.148 195 HG LEU 27 HG LEU 27 67.843 5.032 2.623 196 HD11 LEU 27 HD11 LEU 27 66.186 4.701 4.291 197 HD12 LEU 27 HD12 LEU 27 66.204 3.191 3.393 198 HD13 LEU 27 HD13 LEU 27 64.928 4.372 3.093 199 HD21 LEU 27 HD21 LEU 27 65.943 4.085 0.479 200 HD22 LEU 27 HD22 LEU 27 66.997 2.965 1.335 201 HD23 LEU 27 HD23 LEU 27 67.693 4.273 0.385 202 H SER 28 HN SER 28 63.818 7.345 2.086 203 HA SER 28 HA SER 28 62.442 6.326 4.484 204 HB2 SER 28 HB2 SER 28 61.971 8.701 4.231 205 HB3 SER 28 HB1 SER 28 61.494 8.445 2.557 206 HG SER 28 HG SER 28 59.793 7.165 3.284 207 H GLN 29 HN GLN 29 61.959 4.291 3.983 208 HA GLN 29 HA GLN 29 59.931 3.632 2.195 209 HB2 GLN 29 HB2 GLN 29 61.410 2.170 0.644 210 HB3 GLN 29 HB1 GLN 29 61.313 3.901 0.322 211 HG2 GLN 29 HG2 GLN 29 63.453 4.322 1.217 212 HG3 GLN 29 HG1 GLN 29 63.490 2.800 2.097 213 HE21 GLN 29 HE21 GLN 29 65.097 1.527 1.140 214 HE22 GLN 29 HE22 GLN 29 65.283 1.308 -0.530 215 HA PRO 30 HA PRO 30 60.908 0.433 5.349 216 HB2 PRO 30 HB2 PRO 30 58.104 -0.292 5.439 217 HB3 PRO 30 HB1 PRO 30 59.063 0.515 6.685 218 HG2 PRO 30 HG2 PRO 30 57.026 1.673 5.113 219 HG3 PRO 30 HG1 PRO 30 58.142 2.514 6.193 220 HD2 PRO 30 HD2 PRO 30 58.148 2.423 3.248 221 HD3 PRO 30 HD1 PRO 30 59.003 3.533 4.339 222 H GLU 31 HN GLU 31 59.435 0.418 2.260 223 HA GLU 31 HA GLU 31 60.361 -2.295 1.766 224 HB2 GLU 31 HB2 GLU 31 58.222 -2.984 0.720 225 HB3 GLU 31 HB1 GLU 31 58.040 -2.702 2.448 226 HG2 GLU 31 HG2 GLU 31 57.180 -0.421 1.958 227 HG3 GLU 31 HG1 GLU 31 57.299 -0.766 0.234 228 H VAL 32 HN VAL 32 61.261 -2.396 -0.240 229 HA VAL 32 HA VAL 32 60.998 0.013 -1.901 230 HB VAL 32 HB VAL 32 63.148 -0.370 -2.653 231 HG11 VAL 32 HG11 VAL 32 64.480 -0.603 -0.709 232 HG12 VAL 32 HG12 VAL 32 63.314 -1.683 0.054 233 HG13 VAL 32 HG13 VAL 32 62.933 0.027 -0.143 234 HG21 VAL 32 HG21 VAL 32 62.521 -3.261 -2.160 235 HG22 VAL 32 HG22 VAL 32 64.208 -2.775 -2.002 236 HG23 VAL 32 HG23 VAL 32 63.355 -2.511 -3.520 237 H ALA 33 HN ALA 33 61.392 -0.294 -4.205 238 HA ALA 33 HA ALA 33 59.567 -2.353 -5.313 239 HB1 ALA 33 HB1 ALA 33 58.860 -0.017 -5.643 240 HB2 ALA 33 HB2 ALA 33 59.236 -0.797 -7.181 241 HB3 ALA 33 HB3 ALA 33 60.386 0.328 -6.459 242 H ALA 34 HN ALA 34 62.692 -0.738 -5.832 243 HA ALA 34 HA ALA 34 63.769 -3.111 -7.051 244 HB1 ALA 34 HB1 ALA 34 63.331 -0.663 -8.773 245 HB2 ALA 34 HB2 ALA 34 62.579 -2.248 -8.989 246 HB3 ALA 34 HB3 ALA 34 64.318 -2.055 -9.225 247 H HIS 35 HN HIS 35 65.868 -3.216 -6.523 248 HA HIS 35 HA HIS 35 67.483 -0.782 -6.458 249 HB2 HIS 35 HB2 HIS 35 68.205 -1.204 -4.122 250 HB3 HIS 35 HB1 HIS 35 66.495 -0.785 -4.241 251 HD1 HIS 35 HD1 HIS 35 64.877 -3.073 -4.480 252 HD2 HIS 35 HD2 HIS 35 68.608 -3.505 -2.680 253 HE1 HIS 35 HE1 HIS 35 64.776 -5.216 -3.129 254 H THR 36 HN THR 36 69.509 -1.144 -7.038 255 HA THR 36 HA THR 36 70.647 -3.877 -6.859 256 HB THR 36 HB THR 36 71.001 -1.874 -9.109 257 HG1 THR 36 HG1 THR 36 70.099 -4.364 -9.702 258 HG21 THR 36 HG21 THR 36 73.044 -2.966 -9.098 259 HG22 THR 36 HG22 THR 36 72.110 -4.106 -10.061 260 HG23 THR 36 HG23 THR 36 72.390 -4.426 -8.348 261 H TRP 37 HN TRP 37 72.507 -3.902 -5.715 262 HA TRP 37 HA TRP 37 73.977 -1.338 -5.337 263 HB2 TRP 37 HB2 TRP 37 72.722 -2.436 -3.364 264 HB3 TRP 37 HB1 TRP 37 73.995 -3.643 -3.399 265 HD1 TRP 37 HD1 TRP 37 76.086 -1.053 -4.333 266 HE1 TRP 37 HE1 TRP 37 77.040 0.314 -2.368 267 HE3 TRP 37 HE3 TRP 37 72.807 -2.381 -0.644 268 HZ2 TRP 37 HZ2 TRP 37 76.493 0.793 0.394 269 HZ3 TRP 37 HZ3 TRP 37 73.049 -1.449 1.640 270 HH2 TRP 37 HH2 TRP 37 74.877 0.143 2.169 271 H LEU 38 HN LEU 38 75.531 -1.544 -6.873 272 HA LEU 38 HA LEU 38 77.423 -3.817 -6.563 273 HB2 LEU 38 HB2 LEU 38 76.680 -2.413 -9.139 274 HB3 LEU 38 HB1 LEU 38 77.876 -3.696 -8.969 275 HG LEU 38 HG LEU 38 74.940 -3.978 -8.267 276 HD11 LEU 38 HD11 LEU 38 76.453 -5.102 -10.650 277 HD12 LEU 38 HD12 LEU 38 75.456 -3.648 -10.723 278 HD13 LEU 38 HD13 LEU 38 74.715 -5.206 -10.349 279 HD21 LEU 38 HD21 LEU 38 75.687 -6.487 -8.485 280 HD22 LEU 38 HD22 LEU 38 76.083 -5.620 -7.002 281 HD23 LEU 38 HD23 LEU 38 77.316 -5.848 -8.246 282 H LEU 39 HN LEU 39 79.220 -3.099 -5.718 283 HA LEU 39 HA LEU 39 80.173 -0.369 -6.301 284 HB2 LEU 39 HB2 LEU 39 81.978 -1.442 -4.500 285 HB3 LEU 39 HB1 LEU 39 80.570 -0.511 -4.042 286 HG LEU 39 HG LEU 39 79.270 -2.655 -3.906 287 HD11 LEU 39 HD11 LEU 39 80.776 -4.024 -5.342 288 HD12 LEU 39 HD12 LEU 39 80.569 -4.747 -3.746 289 HD13 LEU 39 HD13 LEU 39 82.045 -3.864 -4.121 290 HD21 LEU 39 HD21 LEU 39 80.186 -1.560 -1.927 291 HD22 LEU 39 HD22 LEU 39 81.728 -2.376 -2.163 292 HD23 LEU 39 HD23 LEU 39 80.286 -3.307 -1.750 293 H ASP 40 HN ASP 40 82.527 -2.754 -5.476 294 HA ASP 40 HA ASP 40 83.815 -2.518 -7.965 295 HB2 ASP 40 HB2 ASP 40 85.181 -4.432 -7.256 296 HB3 ASP 40 HB1 ASP 40 84.993 -3.331 -5.898 297 H ASP 41 HN ASP 41 84.002 -4.414 -9.446 298 HA ASP 41 HA ASP 41 81.445 -5.115 -10.374 299 HB2 ASP 41 HB2 ASP 41 82.634 -6.393 -12.094 300 HB3 ASP 41 HB1 ASP 41 83.379 -4.816 -11.857 301 H GLU 42 HN GLU 42 81.766 -6.047 -7.668 302 HA GLU 42 HA GLU 42 81.221 -8.928 -8.122 303 HB2 GLU 42 HB2 GLU 42 82.973 -7.718 -5.953 304 HB3 GLU 42 HB1 GLU 42 82.273 -9.332 -5.812 305 HG2 GLU 42 HG2 GLU 42 83.391 -10.008 -7.903 306 HG3 GLU 42 HG1 GLU 42 84.067 -8.388 -8.077 307 HA PRO 43 HA PRO 43 77.481 -7.736 -6.022 308 HB2 PRO 43 HB2 PRO 43 77.181 -10.228 -4.556 309 HB3 PRO 43 HB1 PRO 43 76.279 -9.676 -5.974 310 HG2 PRO 43 HG2 PRO 43 78.324 -11.687 -5.849 311 HG3 PRO 43 HG1 PRO 43 77.383 -11.168 -7.248 312 HD2 PRO 43 HD2 PRO 43 80.160 -10.667 -6.750 313 HD3 PRO 43 HD1 PRO 43 79.181 -10.046 -8.096 314 H VAL 44 HN VAL 44 77.206 -6.591 -4.149 315 HA VAL 44 HA VAL 44 79.344 -6.621 -2.231 316 HB VAL 44 HB VAL 44 78.400 -4.524 -2.910 317 HG11 VAL 44 HG11 VAL 44 75.791 -5.147 -1.550 318 HG12 VAL 44 HG12 VAL 44 76.039 -5.588 -3.237 319 HG13 VAL 44 HG13 VAL 44 76.163 -3.907 -2.739 320 HG21 VAL 44 HG21 VAL 44 79.185 -4.920 -0.500 321 HG22 VAL 44 HG22 VAL 44 77.487 -4.970 -0.078 322 HG23 VAL 44 HG23 VAL 44 78.164 -3.505 -0.768 323 H ARG 45 HN ARG 45 79.175 -8.685 -1.322 324 HA ARG 45 HA ARG 45 77.413 -8.731 0.997 325 HB2 ARG 45 HB2 ARG 45 76.102 -9.979 -0.674 326 HB3 ARG 45 HB1 ARG 45 77.477 -11.054 -0.946 327 HG2 ARG 45 HG2 ARG 45 77.404 -11.861 1.318 328 HG3 ARG 45 HG1 ARG 45 76.222 -10.634 1.776 329 HD2 ARG 45 HD2 ARG 45 75.052 -12.713 1.449 330 HD3 ARG 45 HD1 ARG 45 74.637 -11.633 0.122 331 HE ARG 45 HE ARG 45 76.873 -13.234 -0.602 332 HH11 ARG 45 HH11 ARG 45 73.588 -13.736 0.318 333 HH12 ARG 45 HH12 ARG 45 73.260 -14.885 -0.939 334 HH21 ARG 45 HH21 ARG 45 76.393 -14.594 -2.393 335 HH22 ARG 45 HH22 ARG 45 74.846 -15.372 -2.468 336 H THR 46 HN THR 46 79.124 -11.443 -0.408 337 HA THR 46 HA THR 46 80.969 -12.612 0.259 338 HB THR 46 HB THR 46 82.916 -11.363 0.535 339 HG1 THR 46 HG1 THR 46 82.844 -10.186 2.275 340 HG21 THR 46 HG21 THR 46 82.779 -9.642 -1.033 341 HG22 THR 46 HG22 THR 46 81.183 -9.134 -0.491 342 HG23 THR 46 HG23 THR 46 81.365 -10.615 -1.429 343 H SER 47 HN SER 47 82.534 -11.433 2.760 344 HA SER 47 HA SER 47 80.716 -12.530 4.838 345 HB2 SER 47 HB2 SER 47 82.342 -14.239 3.961 346 HB3 SER 47 HB1 SER 47 83.643 -13.227 4.572 347 HG SER 47 HG SER 47 81.484 -13.990 6.219 348 H GLU 48 HN GLU 48 83.111 -12.502 6.687 349 HA GLU 48 HA GLU 48 82.632 -10.200 8.096 350 HB2 GLU 48 HB2 GLU 48 85.261 -11.681 7.821 351 HB3 GLU 48 HB1 GLU 48 84.913 -10.488 9.069 352 HG2 GLU 48 HG2 GLU 48 83.259 -12.987 8.610 353 HG3 GLU 48 HG1 GLU 48 84.541 -12.867 9.811 354 H ASN 49 HN ASN 49 85.217 -10.627 5.717 355 HA ASN 49 HA ASN 49 86.202 -7.981 5.762 356 HB2 ASN 49 HB2 ASN 49 87.294 -8.514 3.654 357 HB3 ASN 49 HB1 ASN 49 87.416 -9.884 4.754 358 HD21 ASN 49 HD21 ASN 49 87.736 -10.616 2.170 359 HD22 ASN 49 HD22 ASN 49 86.331 -11.319 1.532 360 H ALA 50 HN ALA 50 83.129 -8.766 5.000 361 HA ALA 50 HA ALA 50 82.376 -6.322 3.979 362 HB1 ALA 50 HB1 ALA 50 83.550 -8.072 1.919 363 HB2 ALA 50 HB2 ALA 50 83.260 -6.338 1.870 364 HB3 ALA 50 HB3 ALA 50 81.957 -7.462 1.481 365 H GLU 51 HN GLU 51 80.194 -6.203 4.180 366 HA GLU 51 HA GLU 51 78.355 -8.185 3.342 367 HB2 GLU 51 HB2 GLU 51 79.368 -9.442 5.260 368 HB3 GLU 51 HB1 GLU 51 78.846 -8.149 6.336 369 HG2 GLU 51 HG2 GLU 51 77.189 -9.895 6.451 370 HG3 GLU 51 HG1 GLU 51 76.477 -8.575 5.532 371 H VAL 52 HN VAL 52 76.243 -7.235 3.268 372 HA VAL 52 HA VAL 52 76.054 -4.552 4.376 373 HB VAL 52 HB VAL 52 74.020 -6.074 2.734 374 HG11 VAL 52 HG11 VAL 52 74.518 -3.097 2.936 375 HG12 VAL 52 HG12 VAL 52 73.383 -3.938 3.987 376 HG13 VAL 52 HG13 VAL 52 73.117 -3.916 2.249 377 HG21 VAL 52 HG21 VAL 52 76.098 -4.149 1.682 378 HG22 VAL 52 HG22 VAL 52 74.995 -5.152 0.748 379 HG23 VAL 52 HG23 VAL 52 76.320 -5.895 1.641 380 H VAL 53 HN VAL 53 74.633 -3.926 5.853 381 HA VAL 53 HA VAL 53 72.826 -5.876 7.147 382 HB VAL 53 HB VAL 53 73.425 -4.693 9.335 383 HG11 VAL 53 HG11 VAL 53 75.641 -6.242 7.951 384 HG12 VAL 53 HG12 VAL 53 74.234 -6.973 8.726 385 HG13 VAL 53 HG13 VAL 53 75.413 -6.085 9.693 386 HG21 VAL 53 HG21 VAL 53 74.538 -2.756 8.227 387 HG22 VAL 53 HG22 VAL 53 75.818 -3.835 7.678 388 HG23 VAL 53 HG23 VAL 53 75.586 -3.545 9.402 389 H PHE 54 HN PHE 54 70.790 -5.013 7.529 390 HA PHE 54 HA PHE 54 70.436 -2.114 6.943 391 HB2 PHE 54 HB2 PHE 54 69.618 -4.089 5.318 392 HB3 PHE 54 HB1 PHE 54 68.248 -4.108 6.410 393 HD1 PHE 54 HD1 PHE 54 68.741 -0.808 6.760 394 HD2 PHE 54 HD2 PHE 54 67.963 -3.570 3.544 395 HE1 PHE 54 HE1 PHE 54 67.767 1.016 5.404 396 HE2 PHE 54 HE2 PHE 54 66.954 -1.730 2.229 397 HZ PHE 54 HZ PHE 54 66.865 0.560 3.161 398 H PHE 55 HN PHE 55 69.767 -1.060 8.811 399 HA PHE 55 HA PHE 55 68.111 -2.577 10.753 400 HB2 PHE 55 HB2 PHE 55 69.969 -0.224 11.142 401 HB3 PHE 55 HB1 PHE 55 68.990 -0.951 12.417 402 HD1 PHE 55 HD2 PHE 55 69.299 -3.468 12.871 403 HD2 PHE 55 HD1 PHE 55 72.065 -1.121 10.558 404 HE1 PHE 55 HE2 PHE 55 71.053 -5.194 13.204 405 HE2 PHE 55 HE1 PHE 55 73.809 -2.850 10.889 406 HZ PHE 55 HZ PHE 55 73.304 -4.882 12.208 407 H GLU 56 HN GLU 56 66.753 -1.175 12.164 408 HA GLU 56 HA GLU 56 64.929 0.137 12.472 409 HB2 GLU 56 HB2 GLU 56 66.464 1.917 10.578 410 HB3 GLU 56 HB1 GLU 56 64.896 2.382 11.241 411 HG2 GLU 56 HG2 GLU 56 66.341 3.326 12.810 412 HG3 GLU 56 HG1 GLU 56 66.002 1.779 13.567 413 H ASN 57 HN ASN 57 64.685 -1.980 10.637 414 HA ASN 57 HA ASN 57 63.138 -2.838 9.173 415 HB2 ASN 57 HB2 ASN 57 61.616 -1.585 10.745 416 HB3 ASN 57 HB1 ASN 57 61.625 -0.263 9.579 417 HD21 ASN 57 HD21 ASN 57 59.228 -1.679 10.229 418 HD22 ASN 57 HD22 ASN 57 58.731 -2.536 8.852 419 H GLY 58 HN GLY 58 65.268 -1.744 7.914 420 HA2 GLY 58 HA2 GLY 58 65.825 -1.332 5.714 421 HA3 GLY 58 HA1 GLY 58 64.125 -1.169 5.346 422 H LEU 59 HN LEU 59 65.161 0.851 7.936 423 HA LEU 59 HA LEU 59 64.749 3.182 6.224 424 HB2 LEU 59 HB2 LEU 59 63.748 2.771 8.611 425 HB3 LEU 59 HB1 LEU 59 65.306 3.382 9.167 426 HG LEU 59 HG LEU 59 64.810 5.314 7.390 427 HD11 LEU 59 HD11 LEU 59 62.467 5.821 7.140 428 HD12 LEU 59 HD12 LEU 59 62.009 4.486 8.198 429 HD13 LEU 59 HD13 LEU 59 62.706 4.158 6.616 430 HD21 LEU 59 HD21 LEU 59 63.632 5.039 10.165 431 HD22 LEU 59 HD22 LEU 59 63.529 6.542 9.249 432 HD23 LEU 59 HD23 LEU 59 65.107 5.886 9.689 433 H ARG 60 HN ARG 60 67.497 1.514 7.455 434 HA ARG 60 HA ARG 60 69.186 3.792 6.610 435 HB2 ARG 60 HB2 ARG 60 69.502 2.292 9.216 436 HB3 ARG 60 HB1 ARG 60 70.736 3.343 8.523 437 HG2 ARG 60 HG2 ARG 60 69.191 5.248 8.590 438 HG3 ARG 60 HG1 ARG 60 67.914 4.208 9.223 439 HD2 ARG 60 HD2 ARG 60 68.977 5.432 11.059 440 HD3 ARG 60 HD1 ARG 60 69.311 3.711 11.200 441 HE ARG 60 HE ARG 60 71.556 4.132 10.722 442 HH11 ARG 60 HH21 ARG 60 69.635 7.015 10.628 443 HH12 ARG 60 HH22 ARG 60 70.976 8.057 10.317 444 HH21 ARG 60 HH11 ARG 60 73.287 5.479 10.159 445 HH22 ARG 60 HH12 ARG 60 73.048 7.192 10.058 446 H HIS 61 HN HIS 61 70.101 2.978 4.860 447 HA HIS 61 HA HIS 61 70.972 0.218 4.641 448 HB2 HIS 61 HB2 HIS 61 70.871 2.635 2.897 449 HB3 HIS 61 HB1 HIS 61 72.143 1.483 2.515 450 HD1 HIS 61 HD1 HIS 61 68.757 2.196 1.683 451 HD2 HIS 61 HD2 HIS 61 70.875 -1.319 2.402 452 HE1 HIS 61 HE1 HIS 61 67.471 0.332 0.543 453 H LEU 62 HN LEU 62 72.754 -0.361 5.868 454 HA LEU 62 HA LEU 62 75.099 1.467 5.826 455 HB2 LEU 62 HB2 LEU 62 73.992 1.307 8.024 456 HB3 LEU 62 HB1 LEU 62 74.189 -0.442 8.000 457 HG LEU 62 HG LEU 62 76.696 1.125 7.523 458 HD11 LEU 62 HD11 LEU 62 75.557 2.466 9.303 459 HD12 LEU 62 HD12 LEU 62 77.029 1.681 9.876 460 HD13 LEU 62 HD13 LEU 62 75.453 1.009 10.289 461 HD21 LEU 62 HD21 LEU 62 76.418 -1.430 7.823 462 HD22 LEU 62 HD22 LEU 62 76.171 -1.082 9.534 463 HD23 LEU 62 HD23 LEU 62 77.694 -0.653 8.756 464 H LEU 63 HN LEU 63 76.888 0.676 4.965 465 HA LEU 63 HA LEU 63 77.131 -2.254 4.534 466 HB2 LEU 63 HB2 LEU 63 76.847 -1.350 2.389 467 HB3 LEU 63 HB1 LEU 63 77.721 0.117 2.776 468 HG LEU 63 HG LEU 63 79.858 -1.182 2.793 469 HD11 LEU 63 HD11 LEU 63 78.257 -3.475 1.651 470 HD12 LEU 63 HD12 LEU 63 78.704 -3.402 3.352 471 HD13 LEU 63 HD13 LEU 63 79.951 -3.465 2.115 472 HD21 LEU 63 HD21 LEU 63 79.873 -1.666 0.341 473 HD22 LEU 63 HD22 LEU 63 79.214 -0.081 0.743 474 HD23 LEU 63 HD23 LEU 63 78.131 -1.408 0.323 475 H LEU 64 HN LEU 64 78.731 -3.113 5.816 476 HA LEU 64 HA LEU 64 80.890 -1.336 6.723 477 HB2 LEU 64 HB2 LEU 64 81.305 -2.904 8.447 478 HB3 LEU 64 HB1 LEU 64 79.556 -2.797 8.317 479 HG LEU 64 HG LEU 64 80.073 -4.836 6.545 480 HD11 LEU 64 HD11 LEU 64 81.661 -6.380 7.631 481 HD12 LEU 64 HD12 LEU 64 82.049 -5.145 8.827 482 HD13 LEU 64 HD13 LEU 64 82.473 -4.895 7.136 483 HD21 LEU 64 HD21 LEU 64 78.360 -4.924 8.274 484 HD22 LEU 64 HD22 LEU 64 79.594 -5.035 9.531 485 HD23 LEU 64 HD23 LEU 64 79.368 -6.366 8.395 486 H LEU 65 HN LEU 65 82.951 -1.584 6.215 487 HA LEU 65 HA LEU 65 83.906 -3.890 4.653 488 HB2 LEU 65 HB2 LEU 65 84.253 -0.987 3.836 489 HB3 LEU 65 HB1 LEU 65 85.052 -2.357 3.070 490 HG LEU 65 HG LEU 65 82.044 -2.002 3.202 491 HD11 LEU 65 HD11 LEU 65 82.875 -0.222 1.852 492 HD12 LEU 65 HD12 LEU 65 82.396 -1.478 0.714 493 HD13 LEU 65 HD13 LEU 65 84.100 -1.249 1.110 494 HD21 LEU 65 HD21 LEU 65 82.510 -4.306 2.845 495 HD22 LEU 65 HD22 LEU 65 83.908 -3.954 1.832 496 HD23 LEU 65 HD23 LEU 65 82.281 -3.666 1.223 497 H LYS 66 HN LYS 66 85.726 -4.584 5.887 498 HA LYS 66 HA LYS 66 87.205 -2.520 7.360 499 HB2 LYS 66 HB2 LYS 66 86.933 -5.518 7.559 500 HB3 LYS 66 HB1 LYS 66 88.130 -4.621 8.486 501 HG2 LYS 66 HG2 LYS 66 86.461 -3.375 9.640 502 HG3 LYS 66 HG1 LYS 66 85.201 -3.893 8.521 503 HD2 LYS 66 HD2 LYS 66 85.102 -5.113 10.689 504 HD3 LYS 66 HD1 LYS 66 85.381 -6.190 9.324 505 HE2 LYS 66 HE2 LYS 66 87.655 -6.492 9.863 506 HE3 LYS 66 HE1 LYS 66 87.692 -5.064 10.905 507 HZ1 LYS 66 HZ1 LYS 66 87.390 -7.567 11.797 508 HZ2 LYS 66 HZ2 LYS 66 85.768 -7.093 11.652 509 HZ3 LYS 66 HZ3 LYS 66 86.834 -6.196 12.624 510 H ASN 67 HN ASN 67 89.516 -3.731 7.796 511 HA ASN 67 HA ASN 67 91.703 -3.609 6.937 512 HB2 ASN 67 HB2 ASN 67 90.878 -6.004 6.822 513 HB3 ASN 67 HB1 ASN 67 90.579 -5.726 5.104 514 HD21 ASN 67 HD21 ASN 67 93.324 -4.612 7.169 515 HD22 ASN 67 HD22 ASN 67 94.516 -5.346 6.213 516 H LEU 68 HN LEU 68 90.556 -1.479 5.847 517 HA LEU 68 HA LEU 68 90.240 -1.460 3.074 518 HB2 LEU 68 HB2 LEU 68 90.917 0.653 5.086 519 HB3 LEU 68 HB1 LEU 68 90.919 1.060 3.377 520 HG LEU 68 HG LEU 68 88.747 1.467 4.689 521 HD11 LEU 68 HD11 LEU 68 87.367 0.933 2.791 522 HD12 LEU 68 HD12 LEU 68 88.472 -0.327 2.260 523 HD13 LEU 68 HD13 LEU 68 88.953 1.366 2.171 524 HD21 LEU 68 HD21 LEU 68 88.305 -1.486 4.282 525 HD22 LEU 68 HD22 LEU 68 87.319 -0.333 5.163 526 HD23 LEU 68 HD23 LEU 68 88.876 -0.820 5.815 527 H ARG 69 HN ARG 69 91.669 -2.265 1.708 528 HA ARG 69 HA ARG 69 94.525 -1.556 1.999 529 HB2 ARG 69 HB2 ARG 69 93.031 -3.871 0.873 530 HB3 ARG 69 HB1 ARG 69 94.427 -3.376 -0.076 531 HG2 ARG 69 HG2 ARG 69 95.168 -5.035 1.503 532 HG3 ARG 69 HG1 ARG 69 95.793 -3.481 2.054 533 HD2 ARG 69 HD2 ARG 69 93.879 -3.263 3.590 534 HD3 ARG 69 HD1 ARG 69 93.277 -4.829 3.051 535 HE ARG 69 HE ARG 69 94.686 -5.677 4.677 536 HH11 ARG 69 HH21 ARG 69 97.040 -5.264 2.809 537 HH12 ARG 69 HH22 ARG 69 98.134 -4.369 3.810 538 HH21 ARG 69 HH11 ARG 69 95.712 -3.504 6.139 539 HH22 ARG 69 HH12 ARG 69 97.383 -3.369 5.695 540 HA PRO 70 HA PRO 70 94.421 1.184 -1.441 541 HB2 PRO 70 HB2 PRO 70 96.584 0.010 -2.965 542 HB3 PRO 70 HB1 PRO 70 96.646 1.440 -1.922 543 HG2 PRO 70 HG2 PRO 70 97.663 -1.221 -1.407 544 HG3 PRO 70 HG1 PRO 70 97.886 0.250 -0.456 545 HD2 PRO 70 HD2 PRO 70 96.283 -1.987 0.252 546 HD3 PRO 70 HD1 PRO 70 96.314 -0.410 1.067 547 H GLN 71 HN GLN 71 94.678 -2.259 -2.003 548 HA GLN 71 HA GLN 71 93.868 -2.372 -4.695 549 HB2 GLN 71 HB2 GLN 71 94.813 -4.303 -3.443 550 HB3 GLN 71 HB1 GLN 71 93.323 -4.404 -2.512 551 HG2 GLN 71 HG2 GLN 71 92.045 -4.782 -4.612 552 HG3 GLN 71 HG1 GLN 71 93.555 -4.716 -5.520 553 HE21 GLN 71 HE21 GLN 71 94.416 -6.767 -5.932 554 HE22 GLN 71 HE22 GLN 71 94.202 -8.129 -4.936 555 H ASP 72 HN ASP 72 91.834 -3.178 -1.838 556 HA ASP 72 HA ASP 72 89.423 -3.309 -3.052 557 HB2 ASP 72 HB2 ASP 72 90.122 -2.269 -0.303 558 HB3 ASP 72 HB1 ASP 72 88.471 -2.595 -0.828 559 H SER 73 HN SER 73 91.016 -0.216 -2.029 560 HA SER 73 HA SER 73 88.932 1.523 -2.258 561 HB2 SER 73 HB2 SER 73 91.291 2.100 -1.683 562 HB3 SER 73 HB1 SER 73 91.709 1.946 -3.382 563 HG SER 73 HG SER 73 91.051 4.108 -2.405 564 H CYS 74 HN CYS 74 87.579 2.104 -3.778 565 HA CYS 74 HA CYS 74 88.271 2.394 -6.525 566 HB2 CYS 74 HB2 CYS 74 87.175 0.565 -7.535 567 HB3 CYS 74 HB1 CYS 74 88.109 -0.144 -6.221 568 HG CYS 74 HG CYS 74 85.467 0.421 -5.048 569 H ARG 75 HN ARG 75 85.596 1.632 -7.446 570 HA ARG 75 HA ARG 75 84.182 4.071 -6.629 571 HB2 ARG 75 HB2 ARG 75 84.598 3.636 -9.031 572 HB3 ARG 75 HB1 ARG 75 83.655 2.151 -8.914 573 HG2 ARG 75 HG2 ARG 75 81.687 3.519 -8.166 574 HG3 ARG 75 HG1 ARG 75 82.643 4.973 -8.440 575 HD2 ARG 75 HD2 ARG 75 82.007 2.891 -10.550 576 HD3 ARG 75 HD1 ARG 75 81.152 4.420 -10.359 577 HE ARG 75 HE ARG 75 83.876 5.014 -10.588 578 HH11 ARG 75 HH11 ARG 75 81.310 3.634 -12.501 579 HH12 ARG 75 HH12 ARG 75 82.006 4.127 -14.011 580 HH21 ARG 75 HH21 ARG 75 84.776 5.623 -12.561 581 HH22 ARG 75 HH22 ARG 75 83.963 5.242 -14.045 582 H VAL 76 HN VAL 76 82.214 4.098 -5.698 583 HA VAL 76 HA VAL 76 80.882 1.517 -5.082 584 HB VAL 76 HB VAL 76 81.228 4.009 -3.399 585 HG11 VAL 76 HG11 VAL 76 79.760 2.681 -1.745 586 HG12 VAL 76 HG12 VAL 76 79.228 1.764 -3.153 587 HG13 VAL 76 HG13 VAL 76 78.944 3.504 -3.070 588 HG21 VAL 76 HG21 VAL 76 81.970 2.228 -1.731 589 HG22 VAL 76 HG22 VAL 76 83.037 2.470 -3.109 590 HG23 VAL 76 HG23 VAL 76 81.950 1.082 -3.069 591 H THR 77 HN THR 77 78.855 1.339 -5.871 592 HA THR 77 HA THR 77 77.355 3.821 -6.503 593 HB THR 77 HB THR 77 77.596 1.351 -8.236 594 HG1 THR 77 HG1 THR 77 78.476 2.898 -9.684 595 HG21 THR 77 HG21 THR 77 75.354 2.077 -8.474 596 HG22 THR 77 HG22 THR 77 76.207 2.852 -9.810 597 HG23 THR 77 HG23 THR 77 75.804 3.778 -8.364 598 H PHE 78 HN PHE 78 75.419 3.893 -5.640 599 HA PHE 78 HA PHE 78 74.066 1.372 -4.831 600 HB2 PHE 78 HB2 PHE 78 74.872 2.610 -2.878 601 HB3 PHE 78 HB1 PHE 78 74.086 4.076 -3.456 602 HD1 PHE 78 HD2 PHE 78 73.247 0.485 -2.816 603 HD2 PHE 78 HD1 PHE 78 71.985 4.573 -2.552 604 HE1 PHE 78 HE2 PHE 78 71.164 -0.240 -1.676 605 HE2 PHE 78 HE1 PHE 78 69.901 3.856 -1.410 606 HZ PHE 78 HZ PHE 78 69.495 1.447 -0.971 607 H LEU 79 HN LEU 79 72.320 1.077 -6.101 608 HA LEU 79 HA LEU 79 70.936 3.465 -7.203 609 HB2 LEU 79 HB2 LEU 79 72.013 1.774 -8.765 610 HB3 LEU 79 HB1 LEU 79 70.793 0.626 -8.216 611 HG LEU 79 HG LEU 79 69.109 2.586 -8.846 612 HD11 LEU 79 HD11 LEU 79 69.864 3.933 -10.725 613 HD12 LEU 79 HD12 LEU 79 71.435 3.132 -10.719 614 HD13 LEU 79 HD13 LEU 79 70.974 4.185 -9.383 615 HD21 LEU 79 HD21 LEU 79 68.980 1.635 -11.160 616 HD22 LEU 79 HD22 LEU 79 69.088 0.396 -9.909 617 HD23 LEU 79 HD23 LEU 79 70.508 0.806 -10.867 618 H ALA 80 HN ALA 80 69.538 3.778 -5.349 619 HA ALA 80 HA ALA 80 67.571 1.621 -4.852 620 HB1 ALA 80 HB1 ALA 80 68.234 2.356 -2.748 621 HB2 ALA 80 HB2 ALA 80 66.849 3.412 -3.024 622 HB3 ALA 80 HB3 ALA 80 68.487 4.015 -3.286 623 H GLY 81 HN GLY 81 66.287 1.803 -6.679 624 HA2 GLY 81 HA2 GLY 81 64.713 2.704 -8.114 625 HA3 GLY 81 HA1 GLY 81 64.076 3.426 -6.636 626 H ASP 82 HN ASP 82 63.436 5.179 -8.162 627 HA ASP 82 HA ASP 82 64.890 6.799 -9.737 628 HB2 ASP 82 HB2 ASP 82 62.499 7.142 -8.985 629 HB3 ASP 82 HB1 ASP 82 63.137 7.933 -7.543 630 H MET 83 HN MET 83 65.347 6.397 -6.338 631 HA MET 83 HA MET 83 67.054 8.746 -6.056 632 HB2 MET 83 HB2 MET 83 66.772 6.576 -3.989 633 HB3 MET 83 HB1 MET 83 66.990 8.307 -3.765 634 HG2 MET 83 HG2 MET 83 64.675 8.539 -4.912 635 HG3 MET 83 HG1 MET 83 64.495 6.817 -4.565 636 HE1 MET 83 HE1 MET 83 64.532 6.479 -0.828 637 HE2 MET 83 HE2 MET 83 66.141 6.727 -1.494 638 HE3 MET 83 HE3 MET 83 64.961 5.781 -2.398 639 H VAL 84 HN VAL 84 69.131 8.662 -6.778 640 HA VAL 84 HA VAL 84 70.637 6.128 -6.415 641 HB VAL 84 HB VAL 84 71.791 6.485 -8.462 642 HG11 VAL 84 HG11 VAL 84 68.967 7.300 -9.159 643 HG12 VAL 84 HG12 VAL 84 69.342 5.691 -8.538 644 HG13 VAL 84 HG13 VAL 84 70.062 6.240 -10.053 645 HG21 VAL 84 HG21 VAL 84 72.201 8.842 -8.444 646 HG22 VAL 84 HG22 VAL 84 70.475 9.211 -8.457 647 HG23 VAL 84 HG23 VAL 84 71.240 8.522 -9.888 648 H THR 85 HN THR 85 72.411 6.281 -5.228 649 HA THR 85 HA THR 85 73.708 8.916 -4.825 650 HB THR 85 HB THR 85 73.642 8.725 -2.519 651 HG1 THR 85 HG1 THR 85 73.457 6.564 -1.564 652 HG21 THR 85 HG21 THR 85 71.380 6.832 -3.218 653 HG22 THR 85 HG22 THR 85 71.280 8.586 -3.371 654 HG23 THR 85 HG23 THR 85 71.499 7.848 -1.783 655 H SER 86 HN SER 86 75.903 8.858 -5.125 656 HA SER 86 HA SER 86 77.368 6.384 -4.660 657 HB2 SER 86 HB2 SER 86 78.250 6.195 -6.906 658 HB3 SER 86 HB1 SER 86 76.490 6.141 -6.968 659 HG SER 86 HG SER 86 77.582 7.581 -8.507 660 H ALA 87 HN ALA 87 79.573 6.641 -4.461 661 HA ALA 87 HA ALA 87 80.797 9.265 -4.885 662 HB1 ALA 87 HB1 ALA 87 80.732 8.008 -2.134 663 HB2 ALA 87 HB2 ALA 87 79.724 9.371 -2.621 664 HB3 ALA 87 HB3 ALA 87 81.479 9.544 -2.582 665 H PHE 88 HN PHE 88 83.129 9.234 -4.360 666 HA PHE 88 HA PHE 88 84.305 6.725 -5.247 667 HB2 PHE 88 HB2 PHE 88 85.586 9.391 -4.609 668 HB3 PHE 88 HB1 PHE 88 86.386 8.022 -5.387 669 HD1 PHE 88 HD2 PHE 88 85.781 7.329 -7.658 670 HD2 PHE 88 HD1 PHE 88 83.914 10.709 -5.779 671 HE1 PHE 88 HE2 PHE 88 84.873 8.046 -9.845 672 HE2 PHE 88 HE1 PHE 88 83.010 11.431 -7.973 673 HZ PHE 88 HZ PHE 88 83.493 10.098 -10.006 674 H LEU 89 HN LEU 89 86.484 6.197 -4.188 675 HA LEU 89 HA LEU 89 86.420 6.440 -1.256 676 HB2 LEU 89 HB2 LEU 89 85.308 4.256 -2.144 677 HB3 LEU 89 HB1 LEU 89 86.944 3.768 -2.569 678 HG LEU 89 HG LEU 89 86.210 4.711 0.221 679 HD11 LEU 89 HD11 LEU 89 85.981 2.364 0.866 680 HD12 LEU 89 HD12 LEU 89 86.238 1.864 -0.805 681 HD13 LEU 89 HD13 LEU 89 84.796 2.784 -0.372 682 HD21 LEU 89 HD21 LEU 89 88.465 4.587 0.439 683 HD22 LEU 89 HD22 LEU 89 88.673 3.726 -1.078 684 HD23 LEU 89 HD23 LEU 89 88.276 2.840 0.392 685 H THR 90 HN THR 90 88.496 6.318 -0.316 686 HA THR 90 HA THR 90 90.799 5.955 -2.124 687 HB THR 90 HB THR 90 90.394 8.412 -0.397 688 HG1 THR 90 HG1 THR 90 90.433 7.972 -3.193 689 HG21 THR 90 HG21 THR 90 92.547 9.103 -1.556 690 HG22 THR 90 HG22 THR 90 92.704 7.426 -2.086 691 HG23 THR 90 HG23 THR 90 92.716 7.814 -0.365 692 H VAL 91 HN VAL 91 92.441 4.873 -1.183 693 HA VAL 91 HA VAL 91 92.559 4.809 1.782 694 HB VAL 91 HB VAL 91 92.974 2.425 -0.030 695 HG11 VAL 91 HG11 VAL 91 94.410 2.375 1.968 696 HG12 VAL 91 HG12 VAL 91 93.116 1.196 2.113 697 HG13 VAL 91 HG13 VAL 91 93.012 2.717 2.989 698 HG21 VAL 91 HG21 VAL 91 90.946 1.546 0.980 699 HG22 VAL 91 HG22 VAL 91 90.592 3.109 0.248 700 HG23 VAL 91 HG23 VAL 91 90.788 2.978 1.992 701 H ARG 92 HN ARG 92 94.409 5.699 2.407 702 HA ARG 92 HA ARG 92 96.819 5.332 0.723 703 HB2 ARG 92 HB2 ARG 92 97.637 7.392 1.811 704 HB3 ARG 92 HB1 ARG 92 96.102 7.658 0.981 705 HG2 ARG 92 HG2 ARG 92 94.899 7.385 3.123 706 HG3 ARG 92 HG1 ARG 92 96.433 7.147 3.953 707 HD2 ARG 92 HD2 ARG 92 95.772 9.626 2.351 708 HD3 ARG 92 HD1 ARG 92 95.529 9.496 4.091 709 HE ARG 92 HE ARG 92 98.188 8.764 3.525 710 HH11 ARG 92 HH21 ARG 92 98.182 11.048 1.656 711 HH12 ARG 92 HH22 ARG 92 98.518 12.407 2.676 712 HH21 ARG 92 HH11 ARG 92 97.750 10.733 5.614 713 HH22 ARG 92 HH12 ARG 92 98.274 12.228 4.914 714 H GLY 93 HN GLY 93 98.788 4.846 1.670 715 HA2 GLY 93 HA2 GLY 93 98.625 3.398 4.226 716 HA3 GLY 93 HA1 GLY 93 99.911 3.268 3.034 717 H GLY 94 HN GLY 94 101.700 3.802 4.172 718 HA2 GLY 94 HA2 GLY 94 101.700 6.060 6.017 719 HA3 GLY 94 HA1 GLY 94 103.048 4.976 5.689 720 H LEU 95 HN LEU 95 102.024 8.046 5.363 721 HA LEU 95 HA LEU 95 103.717 8.573 2.975 722 HB2 LEU 95 HB2 LEU 95 101.275 9.046 2.642 723 HB3 LEU 95 HB1 LEU 95 101.375 10.224 3.945 724 HG LEU 95 HG LEU 95 103.179 11.416 2.641 725 HD11 LEU 95 HD11 LEU 95 102.496 9.240 0.670 726 HD12 LEU 95 HD12 LEU 95 104.078 9.868 1.130 727 HD13 LEU 95 HD13 LEU 95 103.026 10.815 0.085 728 HD21 LEU 95 HD21 LEU 95 100.655 11.947 2.584 729 HD22 LEU 95 HD22 LEU 95 100.644 11.150 1.011 730 HD23 LEU 95 HD23 LEU 95 101.633 12.586 1.262 731 H GLU 96 HN GLU 96 105.541 9.596 3.466 732 HA GLU 96 HA GLU 96 105.536 11.716 5.501 733 HB2 GLU 96 HB2 GLU 96 107.411 9.332 5.540 734 HB3 GLU 96 HB1 GLU 96 107.649 10.800 6.484 735 HG2 GLU 96 HG2 GLU 96 105.498 10.443 7.624 736 HG3 GLU 96 HG1 GLU 96 105.214 8.999 6.654 737 H HIS 97 HN HIS 97 105.617 11.748 2.639 738 HA HIS 97 HA HIS 97 108.356 12.157 1.818 739 HB2 HIS 97 HB2 HIS 97 106.552 11.297 0.303 740 HB3 HIS 97 HB1 HIS 97 105.812 12.899 0.358 741 HD1 HIS 97 HD1 HIS 97 106.795 14.685 -1.116 742 HD2 HIS 97 HD2 HIS 97 109.230 11.311 -0.904 743 HE1 HIS 97 HE1 HIS 97 108.657 15.043 -2.794 744 H HIS 98 HN HIS 98 108.225 13.762 3.894 745 HA HIS 98 HA HIS 98 108.482 16.417 2.735 746 HB2 HIS 98 HB2 HIS 98 107.008 17.496 4.417 747 HB3 HIS 98 HB1 HIS 98 106.105 16.436 3.338 748 HD1 HIS 98 HD1 HIS 98 107.886 14.191 5.350 749 HD2 HIS 98 HD2 HIS 98 104.546 16.574 6.067 750 HE1 HIS 98 HE1 HIS 98 106.724 13.201 7.363 751 H HIS 99 HN HIS 99 109.509 17.932 4.242 752 HA HIS 99 HA HIS 99 111.120 16.527 6.307 753 HB2 HIS 99 HB2 HIS 99 111.783 18.998 4.684 754 HB3 HIS 99 HB1 HIS 99 112.822 18.261 5.905 755 HD1 HIS 99 HD1 HIS 99 112.832 15.373 5.325 756 HD2 HIS 99 HD2 HIS 99 112.731 18.163 2.231 757 HE1 HIS 99 HE1 HIS 99 113.675 14.180 3.256 758 H HIS 100 HN HIS 100 109.289 16.909 7.776 759 HA HIS 100 HA HIS 100 108.670 19.634 8.524 760 HB2 HIS 100 HB2 HIS 100 106.916 17.975 8.675 761 HB3 HIS 100 HB1 HIS 100 107.903 16.971 9.735 762 HD1 HIS 100 HD1 HIS 100 106.620 20.563 9.715 763 HD2 HIS 100 HD2 HIS 100 107.363 17.465 12.394 764 HE1 HIS 100 HE1 HIS 100 105.928 21.414 11.996 765 H HIS 101 HN HIS 101 109.572 20.816 10.102 766 HA HIS 101 HA HIS 101 112.020 20.167 11.266 767 HB2 HIS 101 HB2 HIS 101 109.906 22.163 12.095 768 HB3 HIS 101 HB1 HIS 101 111.488 22.060 12.868 769 HD1 HIS 101 HD1 HIS 101 113.584 22.684 11.386 770 HD2 HIS 101 HD2 HIS 101 109.911 23.358 9.534 771 HE1 HIS 101 HE1 HIS 101 114.051 24.151 9.369 772 H HIS 102 HN HIS 102 112.594 19.678 13.411 773 HA HIS 102 HA HIS 102 111.382 17.482 14.582 774 HB2 HIS 102 HB2 HIS 102 113.103 19.611 15.855 775 HB3 HIS 102 HB1 HIS 102 112.632 18.124 16.677 776 HD1 HIS 102 HD1 HIS 102 113.183 15.870 15.065 777 HD2 HIS 102 HD2 HIS 102 115.499 19.298 14.547 778 HE1 HIS 102 HE1 HIS 102 115.316 15.123 13.927 Start of MODEL 7 1 H1 THR 1 HT1 THR 1 56.763 -0.284 -3.108 2 H2 THR 1 HT2 THR 1 55.090 -0.494 -2.905 3 H3 THR 1 HT3 THR 1 55.923 0.663 -1.981 4 HA THR 1 HA THR 1 56.532 1.750 -4.171 5 HB THR 1 HB THR 1 54.099 0.227 -5.118 6 HG1 THR 1 HG1 THR 1 55.664 -1.308 -4.845 7 HG21 THR 1 HG21 THR 1 54.784 2.425 -6.156 8 HG22 THR 1 HG22 THR 1 54.767 1.065 -7.277 9 HG23 THR 1 HG23 THR 1 56.296 1.654 -6.629 10 H ALA 2 HN ALA 2 55.930 3.213 -2.427 11 HA ALA 2 HA ALA 2 53.254 4.342 -2.850 12 HB1 ALA 2 HB1 ALA 2 54.244 4.004 -0.028 13 HB2 ALA 2 HB2 ALA 2 53.323 2.721 -0.814 14 HB3 ALA 2 HB3 ALA 2 52.603 4.320 -0.600 15 H LYS 3 HN LYS 3 56.458 4.596 -1.400 16 HA LYS 3 HA LYS 3 56.796 7.307 -2.291 17 HB2 LYS 3 HB2 LYS 3 55.382 7.586 -0.213 18 HB3 LYS 3 HB1 LYS 3 56.725 6.878 0.700 19 HG2 LYS 3 HG2 LYS 3 58.210 8.665 -0.018 20 HG3 LYS 3 HG1 LYS 3 56.956 9.342 -1.056 21 HD2 LYS 3 HD2 LYS 3 55.519 9.629 0.986 22 HD3 LYS 3 HD1 LYS 3 56.903 9.123 1.962 23 HE2 LYS 3 HE2 LYS 3 58.236 10.976 1.112 24 HE3 LYS 3 HE1 LYS 3 56.919 11.461 0.038 25 HZ1 LYS 3 HZ1 LYS 3 56.289 11.195 2.872 26 HZ2 LYS 3 HZ2 LYS 3 55.720 12.318 1.732 27 HZ3 LYS 3 HZ3 LYS 3 57.262 12.512 2.428 28 H ASN 4 HN ASN 4 58.909 7.540 -2.734 29 HA ASN 4 HA ASN 4 60.899 6.294 -1.006 30 HB2 ASN 4 HB2 ASN 4 60.392 4.661 -2.793 31 HB3 ASN 4 HB1 ASN 4 60.814 5.879 -3.992 32 HD21 ASN 4 HD21 ASN 4 62.758 5.073 -4.836 33 HD22 ASN 4 HD22 ASN 4 64.111 4.668 -3.897 34 H THR 5 HN THR 5 62.033 8.053 -0.361 35 HA THR 5 HA THR 5 63.096 9.820 -2.461 36 HB THR 5 HB THR 5 61.554 10.862 -0.070 37 HG1 THR 5 HG1 THR 5 60.368 9.949 -1.923 38 HG21 THR 5 HG21 THR 5 63.383 12.329 -0.624 39 HG22 THR 5 HG22 THR 5 61.915 13.040 -1.292 40 HG23 THR 5 HG23 THR 5 63.037 12.184 -2.345 41 H VAL 6 HN VAL 6 65.232 9.692 -2.153 42 HA VAL 6 HA VAL 6 66.480 9.037 0.317 43 HB VAL 6 HB VAL 6 67.539 8.672 -1.928 44 HG11 VAL 6 HG11 VAL 6 68.442 10.486 -3.170 45 HG12 VAL 6 HG12 VAL 6 68.256 11.603 -1.818 46 HG13 VAL 6 HG13 VAL 6 66.836 11.041 -2.704 47 HG21 VAL 6 HG21 VAL 6 69.161 10.406 -0.043 48 HG22 VAL 6 HG22 VAL 6 69.799 9.230 -1.190 49 HG23 VAL 6 HG23 VAL 6 68.860 8.684 0.197 50 H VAL 7 HN VAL 7 67.208 10.219 1.935 51 HA VAL 7 HA VAL 7 66.798 13.128 1.889 52 HB VAL 7 HB VAL 7 67.449 11.221 4.149 53 HG11 VAL 7 HG11 VAL 7 66.688 13.221 5.532 54 HG12 VAL 7 HG12 VAL 7 66.838 14.184 4.062 55 HG13 VAL 7 HG13 VAL 7 68.258 13.390 4.750 56 HG21 VAL 7 HG21 VAL 7 65.190 10.999 3.017 57 HG22 VAL 7 HG22 VAL 7 64.860 12.661 3.505 58 HG23 VAL 7 HG23 VAL 7 65.117 11.417 4.730 59 H ARG 8 HN ARG 8 69.279 10.671 2.462 60 HA ARG 8 HA ARG 8 71.387 12.640 1.890 61 HB2 ARG 8 HB2 ARG 8 71.770 12.681 4.165 62 HB3 ARG 8 HB1 ARG 8 70.996 11.127 4.431 63 HG2 ARG 8 HG2 ARG 8 72.958 9.927 3.638 64 HG3 ARG 8 HG1 ARG 8 73.713 11.427 3.099 65 HD2 ARG 8 HD2 ARG 8 73.012 10.781 5.984 66 HD3 ARG 8 HD1 ARG 8 74.614 10.608 5.282 67 HE ARG 8 HE ARG 8 73.431 13.036 6.176 68 HH11 ARG 8 HH21 ARG 8 76.399 12.339 5.777 69 HH12 ARG 8 HH22 ARG 8 76.843 13.482 4.561 70 HH21 ARG 8 HH11 ARG 8 73.554 14.158 3.660 71 HH22 ARG 8 HH12 ARG 8 75.219 14.525 3.351 72 H GLY 9 HN GLY 9 72.833 11.869 0.510 73 HA2 GLY 9 HA2 GLY 9 72.676 9.041 -0.275 74 HA3 GLY 9 HA1 GLY 9 73.348 10.357 -1.236 75 H LEU 10 HN LEU 10 74.936 8.251 -1.119 76 HA LEU 10 HA LEU 10 76.694 8.156 1.124 77 HB2 LEU 10 HB2 LEU 10 77.045 7.175 -1.716 78 HB3 LEU 10 HB1 LEU 10 78.054 6.720 -0.345 79 HG LEU 10 HG LEU 10 75.071 6.258 -0.544 80 HD11 LEU 10 HD11 LEU 10 77.325 4.231 -0.663 81 HD12 LEU 10 HD12 LEU 10 76.529 4.888 -2.091 82 HD13 LEU 10 HD13 LEU 10 75.606 3.933 -0.935 83 HD21 LEU 10 HD21 LEU 10 77.105 5.792 1.622 84 HD22 LEU 10 HD22 LEU 10 75.801 4.617 1.435 85 HD23 LEU 10 HD23 LEU 10 75.422 6.314 1.750 86 H GLU 11 HN GLU 11 78.746 9.031 1.364 87 HA GLU 11 HA GLU 11 79.562 11.054 -0.641 88 HB2 GLU 11 HB2 GLU 11 80.206 12.524 1.226 89 HB3 GLU 11 HB1 GLU 11 78.474 12.177 1.235 90 HG2 GLU 11 HG2 GLU 11 78.866 10.382 2.917 91 HG3 GLU 11 HG1 GLU 11 80.580 10.809 2.945 92 H ASN 12 HN ASN 12 81.723 11.461 -0.791 93 HA ASN 12 HA ASN 12 83.527 9.470 -0.942 94 HB2 ASN 12 HB2 ASN 12 84.024 11.758 -1.672 95 HB3 ASN 12 HB1 ASN 12 84.202 12.266 0.010 96 HD21 ASN 12 HD21 ASN 12 85.770 10.560 -2.633 97 HD22 ASN 12 HD22 ASN 12 87.239 10.283 -1.829 98 H VAL 13 HN VAL 13 85.245 8.614 0.352 99 HA VAL 13 HA VAL 13 84.986 8.998 3.278 100 HB VAL 13 HB VAL 13 84.944 6.344 1.816 101 HG11 VAL 13 HG11 VAL 13 84.831 5.473 4.249 102 HG12 VAL 13 HG12 VAL 13 85.490 7.038 4.706 103 HG13 VAL 13 HG13 VAL 13 86.409 5.975 3.645 104 HG21 VAL 13 HG21 VAL 13 82.866 6.056 3.230 105 HG22 VAL 13 HG22 VAL 13 82.734 7.344 2.029 106 HG23 VAL 13 HG23 VAL 13 83.029 7.744 3.721 107 H GLU 14 HN GLU 14 86.900 9.094 4.331 108 HA GLU 14 HA GLU 14 89.370 8.445 2.808 109 HB2 GLU 14 HB2 GLU 14 88.837 10.650 4.815 110 HB3 GLU 14 HB1 GLU 14 90.440 10.241 4.202 111 HG2 GLU 14 HG2 GLU 14 89.705 10.713 1.901 112 HG3 GLU 14 HG1 GLU 14 88.080 11.078 2.480 113 H ALA 15 HN ALA 15 90.602 6.870 3.658 114 HA ALA 15 HA ALA 15 90.899 6.582 6.541 115 HB1 ALA 15 HB1 ALA 15 88.871 5.255 6.080 116 HB2 ALA 15 HB2 ALA 15 90.217 4.236 6.597 117 HB3 ALA 15 HB3 ALA 15 89.771 4.309 4.892 118 H LEU 16 HN LEU 16 92.807 5.659 7.124 119 HA LEU 16 HA LEU 16 94.806 5.314 5.086 120 HB2 LEU 16 HB2 LEU 16 94.797 5.182 8.101 121 HB3 LEU 16 HB1 LEU 16 96.234 4.754 7.173 122 HG LEU 16 HG LEU 16 94.846 7.355 6.585 123 HD11 LEU 16 HD11 LEU 16 96.243 8.485 8.302 124 HD12 LEU 16 HD12 LEU 16 96.785 6.903 8.878 125 HD13 LEU 16 HD13 LEU 16 95.091 7.358 9.034 126 HD21 LEU 16 HD21 LEU 16 97.817 6.867 6.707 127 HD22 LEU 16 HD22 LEU 16 96.920 8.006 5.707 128 HD23 LEU 16 HD23 LEU 16 96.892 6.287 5.328 129 H GLU 17 HN GLU 17 96.329 3.472 5.233 130 HA GLU 17 HA GLU 17 95.409 1.104 4.344 131 HB2 GLU 17 HB2 GLU 17 97.478 0.093 4.991 132 HB3 GLU 17 HB1 GLU 17 97.828 1.797 4.691 133 HG2 GLU 17 HG2 GLU 17 97.547 2.200 7.176 134 HG3 GLU 17 HG1 GLU 17 97.473 0.448 7.385 135 H GLY 18 HN GLY 18 94.769 -0.910 5.150 136 HA2 GLY 18 HA2 GLY 18 93.332 -2.162 6.473 137 HA3 GLY 18 HA1 GLY 18 94.649 -1.958 7.623 138 H GLY 19 HN GLY 19 92.689 0.694 6.448 139 HA2 GLY 19 HA2 GLY 19 91.964 1.397 9.162 140 HA3 GLY 19 HA1 GLY 19 91.629 2.335 7.710 141 H GLU 20 HN GLU 20 89.535 2.637 8.773 142 HA GLU 20 HA GLU 20 87.653 0.408 8.193 143 HB2 GLU 20 HB2 GLU 20 88.086 0.836 10.653 144 HB3 GLU 20 HB1 GLU 20 87.413 2.441 10.435 145 HG2 GLU 20 HG2 GLU 20 85.602 1.134 11.220 146 HG3 GLU 20 HG1 GLU 20 85.332 1.253 9.480 147 H ALA 21 HN ALA 21 85.887 0.967 6.968 148 HA ALA 21 HA ALA 21 85.211 3.821 6.610 149 HB1 ALA 21 HB1 ALA 21 86.536 3.560 4.681 150 HB2 ALA 21 HB2 ALA 21 84.919 3.181 4.084 151 HB3 ALA 21 HB3 ALA 21 86.044 1.883 4.455 152 H LEU 22 HN LEU 22 83.001 4.165 6.461 153 HA LEU 22 HA LEU 22 81.274 1.811 5.956 154 HB2 LEU 22 HB2 LEU 22 80.747 3.851 8.120 155 HB3 LEU 22 HB1 LEU 22 79.768 2.441 7.733 156 HG LEU 22 HG LEU 22 82.138 1.199 8.137 157 HD11 LEU 22 HD11 LEU 22 83.397 3.215 8.665 158 HD12 LEU 22 HD12 LEU 22 83.235 2.252 10.129 159 HD13 LEU 22 HD13 LEU 22 82.219 3.668 9.899 160 HD21 LEU 22 HD21 LEU 22 81.368 0.889 10.552 161 HD22 LEU 22 HD22 LEU 22 80.165 0.527 9.309 162 HD23 LEU 22 HD23 LEU 22 80.088 2.047 10.195 163 H PHE 23 HN PHE 23 79.558 2.143 4.674 164 HA PHE 23 HA PHE 23 79.025 4.918 3.774 165 HB2 PHE 23 HB2 PHE 23 78.865 2.245 2.374 166 HB3 PHE 23 HB1 PHE 23 78.057 3.679 1.739 167 HD1 PHE 23 HD2 PHE 23 79.435 5.742 1.220 168 HD2 PHE 23 HD1 PHE 23 81.213 1.939 2.115 169 HE1 PHE 23 HE2 PHE 23 81.559 6.497 0.188 170 HE2 PHE 23 HE1 PHE 23 83.338 2.689 1.080 171 HZ PHE 23 HZ PHE 23 83.508 4.971 0.119 172 H GLU 24 HN GLU 24 77.386 5.566 5.078 173 HA GLU 24 HA GLU 24 75.006 3.828 5.379 174 HB2 GLU 24 HB2 GLU 24 75.790 6.334 6.879 175 HB3 GLU 24 HB1 GLU 24 74.396 5.318 7.218 176 HG2 GLU 24 HG2 GLU 24 75.940 4.522 8.777 177 HG3 GLU 24 HG1 GLU 24 76.187 3.402 7.437 178 H CYS 25 HN CYS 25 73.171 4.306 4.364 179 HA CYS 25 HA CYS 25 72.743 7.036 3.268 180 HB2 CYS 25 HB2 CYS 25 73.134 5.116 1.580 181 HB3 CYS 25 HB1 CYS 25 71.556 4.516 2.080 182 HG CYS 25 HG CYS 25 72.049 7.216 0.598 183 H GLN 26 HN GLN 26 70.972 8.047 3.937 184 HA GLN 26 HA GLN 26 68.970 6.534 5.531 185 HB2 GLN 26 HB2 GLN 26 70.066 8.139 6.918 186 HB3 GLN 26 HB1 GLN 26 70.014 9.367 5.665 187 HG2 GLN 26 HG2 GLN 26 68.332 9.669 7.531 188 HG3 GLN 26 HG1 GLN 26 67.647 9.653 5.909 189 HE21 GLN 26 HE21 GLN 26 67.410 8.290 9.002 190 HE22 GLN 26 HE22 GLN 26 66.416 6.969 8.613 191 H LEU 27 HN LEU 27 67.345 6.056 4.133 192 HA LEU 27 HA LEU 27 66.198 8.272 2.514 193 HB2 LEU 27 HB2 LEU 27 65.353 6.344 1.025 194 HB3 LEU 27 HB1 LEU 27 67.041 6.813 0.897 195 HG LEU 27 HG LEU 27 67.773 4.923 2.196 196 HD11 LEU 27 HD11 LEU 27 66.125 4.778 3.944 197 HD12 LEU 27 HD12 LEU 27 66.048 3.261 3.064 198 HD13 LEU 27 HD13 LEU 27 64.826 4.492 2.788 199 HD21 LEU 27 HD21 LEU 27 66.747 3.030 0.871 200 HD22 LEU 27 HD22 LEU 27 67.306 4.382 -0.113 201 HD23 LEU 27 HD23 LEU 27 65.596 4.195 0.232 202 H SER 28 HN SER 28 63.872 7.692 1.823 203 HA SER 28 HA SER 28 62.398 6.646 4.167 204 HB2 SER 28 HB2 SER 28 62.152 9.094 3.958 205 HB3 SER 28 HB1 SER 28 61.574 8.892 2.307 206 HG SER 28 HG SER 28 60.062 8.977 4.319 207 H GLN 29 HN GLN 29 61.889 4.650 3.507 208 HA GLN 29 HA GLN 29 59.768 4.207 1.697 209 HB2 GLN 29 HB2 GLN 29 61.139 2.572 0.232 210 HB3 GLN 29 HB1 GLN 29 61.249 4.285 -0.131 211 HG2 GLN 29 HG2 GLN 29 63.388 4.495 0.744 212 HG3 GLN 29 HG1 GLN 29 63.214 3.096 1.796 213 HE21 GLN 29 HE21 GLN 29 62.450 3.121 -1.729 214 HE22 GLN 29 HE22 GLN 29 63.676 2.020 -2.142 215 HA PRO 30 HA PRO 30 60.589 1.127 5.011 216 HB2 PRO 30 HB2 PRO 30 57.768 1.133 5.678 217 HB3 PRO 30 HB1 PRO 30 59.120 1.743 6.638 218 HG2 PRO 30 HG2 PRO 30 57.148 3.299 5.400 219 HG3 PRO 30 HG1 PRO 30 58.677 3.888 6.074 220 HD2 PRO 30 HD2 PRO 30 57.926 3.469 3.232 221 HD3 PRO 30 HD1 PRO 30 59.167 4.525 3.924 222 H GLU 31 HN GLU 31 60.091 0.710 2.144 223 HA GLU 31 HA GLU 31 59.077 -2.012 2.304 224 HB2 GLU 31 HB2 GLU 31 57.569 -1.732 0.368 225 HB3 GLU 31 HB1 GLU 31 57.041 -0.745 1.731 226 HG2 GLU 31 HG2 GLU 31 58.780 0.363 -0.493 227 HG3 GLU 31 HG1 GLU 31 57.025 0.389 -0.561 228 H VAL 32 HN VAL 32 59.537 -3.134 0.117 229 HA VAL 32 HA VAL 32 61.761 -1.816 -1.305 230 HB VAL 32 HB VAL 32 63.280 -3.542 -0.987 231 HG11 VAL 32 HG11 VAL 32 61.829 -3.532 1.661 232 HG12 VAL 32 HG12 VAL 32 62.744 -2.152 1.061 233 HG13 VAL 32 HG13 VAL 32 63.564 -3.681 1.372 234 HG21 VAL 32 HG21 VAL 32 61.957 -5.487 -1.492 235 HG22 VAL 32 HG22 VAL 32 60.921 -5.229 -0.089 236 HG23 VAL 32 HG23 VAL 32 62.600 -5.740 0.129 237 H ALA 33 HN ALA 33 61.484 -1.877 -3.366 238 HA ALA 33 HA ALA 33 59.774 -3.991 -4.551 239 HB1 ALA 33 HB1 ALA 33 58.935 -1.643 -4.739 240 HB2 ALA 33 HB2 ALA 33 59.230 -2.414 -6.295 241 HB3 ALA 33 HB3 ALA 33 60.383 -1.241 -5.659 242 H ALA 34 HN ALA 34 62.769 -2.146 -4.832 243 HA ALA 34 HA ALA 34 64.115 -4.317 -6.103 244 HB1 ALA 34 HB1 ALA 34 63.794 -1.889 -7.858 245 HB2 ALA 34 HB2 ALA 34 62.691 -3.259 -7.962 246 HB3 ALA 34 HB3 ALA 34 64.413 -3.486 -8.290 247 H HIS 35 HN HIS 35 66.150 -4.185 -5.346 248 HA HIS 35 HA HIS 35 67.491 -1.563 -5.233 249 HB2 HIS 35 HB2 HIS 35 67.039 -3.415 -2.887 250 HB3 HIS 35 HB1 HIS 35 68.391 -2.280 -2.918 251 HD1 HIS 35 HD1 HIS 35 64.604 -2.343 -3.029 252 HD2 HIS 35 HD2 HIS 35 67.700 0.346 -2.317 253 HE1 HIS 35 HE1 HIS 35 63.526 -0.227 -2.150 254 H THR 36 HN THR 36 69.538 -1.667 -5.950 255 HA THR 36 HA THR 36 70.968 -4.275 -5.924 256 HB THR 36 HB THR 36 70.819 -2.265 -8.183 257 HG1 THR 36 HG1 THR 36 69.677 -4.687 -7.590 258 HG21 THR 36 HG21 THR 36 73.083 -2.980 -8.132 259 HG22 THR 36 HG22 THR 36 72.308 -4.023 -9.320 260 HG23 THR 36 HG23 THR 36 72.638 -4.628 -7.697 261 H TRP 37 HN TRP 37 72.932 -4.147 -4.980 262 HA TRP 37 HA TRP 37 74.236 -1.481 -4.759 263 HB2 TRP 37 HB2 TRP 37 73.240 -2.565 -2.618 264 HB3 TRP 37 HB1 TRP 37 74.595 -3.684 -2.725 265 HD1 TRP 37 HD1 TRP 37 76.837 -1.610 -3.715 266 HE1 TRP 37 HE1 TRP 37 77.707 0.168 -2.104 267 HE3 TRP 37 HE3 TRP 37 73.000 -1.516 -0.335 268 HZ2 TRP 37 HZ2 TRP 37 76.924 1.464 0.285 269 HZ3 TRP 37 HZ3 TRP 37 73.103 0.019 1.601 270 HH2 TRP 37 HH2 TRP 37 75.056 1.509 1.925 271 H LEU 38 HN LEU 38 75.852 -1.520 -6.159 272 HA LEU 38 HA LEU 38 77.739 -3.805 -6.059 273 HB2 LEU 38 HB2 LEU 38 76.812 -2.347 -8.549 274 HB3 LEU 38 HB1 LEU 38 78.035 -3.609 -8.492 275 HG LEU 38 HG LEU 38 75.152 -3.988 -7.613 276 HD11 LEU 38 HD11 LEU 38 75.033 -5.364 -9.751 277 HD12 LEU 38 HD12 LEU 38 76.568 -4.644 -10.215 278 HD13 LEU 38 HD13 LEU 38 75.148 -3.621 -9.992 279 HD21 LEU 38 HD21 LEU 38 76.004 -6.481 -8.050 280 HD22 LEU 38 HD22 LEU 38 76.330 -5.690 -6.518 281 HD23 LEU 38 HD23 LEU 38 77.583 -5.769 -7.749 282 H LEU 39 HN LEU 39 79.515 -2.984 -5.152 283 HA LEU 39 HA LEU 39 80.397 -0.250 -5.773 284 HB2 LEU 39 HB2 LEU 39 82.389 -1.304 -4.151 285 HB3 LEU 39 HB1 LEU 39 81.021 -0.398 -3.564 286 HG LEU 39 HG LEU 39 79.787 -2.661 -3.387 287 HD11 LEU 39 HD11 LEU 39 81.461 -4.555 -2.960 288 HD12 LEU 39 HD12 LEU 39 82.668 -3.560 -3.748 289 HD13 LEU 39 HD13 LEU 39 81.254 -4.108 -4.653 290 HD21 LEU 39 HD21 LEU 39 80.893 -3.148 -1.203 291 HD22 LEU 39 HD22 LEU 39 80.549 -1.434 -1.419 292 HD23 LEU 39 HD23 LEU 39 82.189 -2.038 -1.643 293 H ASP 40 HN ASP 40 82.834 -2.596 -5.226 294 HA ASP 40 HA ASP 40 83.958 -2.278 -7.809 295 HB2 ASP 40 HB2 ASP 40 85.214 -3.118 -5.773 296 HB3 ASP 40 HB1 ASP 40 84.305 -4.619 -5.896 297 H ASP 41 HN ASP 41 83.909 -4.206 -9.374 298 HA ASP 41 HA ASP 41 81.220 -4.832 -9.921 299 HB2 ASP 41 HB2 ASP 41 82.132 -6.219 -11.754 300 HB3 ASP 41 HB1 ASP 41 82.878 -4.619 -11.693 301 H GLU 42 HN GLU 42 81.691 -5.817 -7.279 302 HA GLU 42 HA GLU 42 81.176 -8.707 -7.728 303 HB2 GLU 42 HB2 GLU 42 83.222 -7.465 -5.900 304 HB3 GLU 42 HB1 GLU 42 82.495 -9.017 -5.474 305 HG2 GLU 42 HG2 GLU 42 83.247 -9.985 -7.589 306 HG3 GLU 42 HG1 GLU 42 83.866 -8.424 -8.117 307 HA PRO 43 HA PRO 43 77.611 -7.619 -5.188 308 HB2 PRO 43 HB2 PRO 43 77.378 -10.285 -4.043 309 HB3 PRO 43 HB1 PRO 43 76.356 -9.527 -5.272 310 HG2 PRO 43 HG2 PRO 43 78.351 -11.566 -5.623 311 HG3 PRO 43 HG1 PRO 43 77.275 -10.859 -6.835 312 HD2 PRO 43 HD2 PRO 43 80.101 -10.463 -6.612 313 HD3 PRO 43 HD1 PRO 43 78.991 -9.628 -7.715 314 H VAL 44 HN VAL 44 77.455 -6.805 -3.149 315 HA VAL 44 HA VAL 44 79.762 -6.960 -1.477 316 HB VAL 44 HB VAL 44 77.127 -5.705 -0.769 317 HG11 VAL 44 HG11 VAL 44 78.678 -4.040 0.298 318 HG12 VAL 44 HG12 VAL 44 80.024 -5.086 -0.131 319 HG13 VAL 44 HG13 VAL 44 78.794 -5.654 0.995 320 HG21 VAL 44 HG21 VAL 44 78.171 -3.662 -1.935 321 HG22 VAL 44 HG22 VAL 44 77.483 -4.917 -2.966 322 HG23 VAL 44 HG23 VAL 44 79.219 -4.825 -2.737 323 H ARG 45 HN ARG 45 79.735 -9.224 -0.874 324 HA ARG 45 HA ARG 45 78.473 -9.588 1.696 325 HB2 ARG 45 HB2 ARG 45 77.851 -11.458 -0.590 326 HB3 ARG 45 HB1 ARG 45 77.654 -11.905 1.112 327 HG2 ARG 45 HG2 ARG 45 76.190 -9.874 1.399 328 HG3 ARG 45 HG1 ARG 45 76.281 -9.622 -0.348 329 HD2 ARG 45 HD2 ARG 45 75.360 -11.876 -0.705 330 HD3 ARG 45 HD1 ARG 45 75.221 -12.078 1.033 331 HE ARG 45 HE ARG 45 73.511 -10.434 -0.668 332 HH11 ARG 45 HH21 ARG 45 73.108 -12.438 1.780 333 HH12 ARG 45 HH22 ARG 45 72.309 -11.361 2.887 334 HH21 ARG 45 HH11 ARG 45 73.107 -8.499 1.093 335 HH22 ARG 45 HH12 ARG 45 72.339 -9.126 2.507 336 H THR 46 HN THR 46 79.951 -11.480 -0.785 337 HA THR 46 HA THR 46 81.686 -13.073 -0.629 338 HB THR 46 HB THR 46 82.689 -11.447 -1.913 339 HG1 THR 46 HG1 THR 46 84.708 -10.886 -0.512 340 HG21 THR 46 HG21 THR 46 83.480 -9.266 -0.836 341 HG22 THR 46 HG22 THR 46 82.522 -9.734 0.570 342 HG23 THR 46 HG23 THR 46 81.737 -9.479 -0.987 343 H SER 47 HN SER 47 82.311 -10.746 2.053 344 HA SER 47 HA SER 47 82.693 -12.832 3.941 345 HB2 SER 47 HB2 SER 47 85.012 -12.995 4.167 346 HB3 SER 47 HB1 SER 47 84.813 -12.923 2.415 347 HG SER 47 HG SER 47 85.600 -10.928 2.397 348 H GLU 48 HN GLU 48 83.626 -11.952 6.063 349 HA GLU 48 HA GLU 48 82.276 -9.734 6.967 350 HB2 GLU 48 HB2 GLU 48 85.016 -10.671 7.853 351 HB3 GLU 48 HB1 GLU 48 83.959 -9.607 8.778 352 HG2 GLU 48 HG2 GLU 48 83.242 -12.422 7.905 353 HG3 GLU 48 HG1 GLU 48 83.804 -11.978 9.515 354 H ASN 49 HN ASN 49 85.316 -9.910 5.289 355 HA ASN 49 HA ASN 49 86.173 -7.224 5.595 356 HB2 ASN 49 HB2 ASN 49 87.677 -8.956 4.739 357 HB3 ASN 49 HB1 ASN 49 86.687 -9.115 3.287 358 HD21 ASN 49 HD21 ASN 49 88.775 -8.446 2.132 359 HD22 ASN 49 HD22 ASN 49 89.128 -6.788 2.023 360 H ALA 50 HN ALA 50 83.326 -8.148 4.452 361 HA ALA 50 HA ALA 50 82.543 -5.731 3.371 362 HB1 ALA 50 HB1 ALA 50 82.179 -6.550 0.939 363 HB2 ALA 50 HB2 ALA 50 83.454 -7.716 1.303 364 HB3 ALA 50 HB3 ALA 50 83.789 -5.987 1.391 365 H GLU 51 HN GLU 51 80.382 -5.706 3.713 366 HA GLU 51 HA GLU 51 78.591 -7.651 2.787 367 HB2 GLU 51 HB2 GLU 51 79.587 -9.145 4.501 368 HB3 GLU 51 HB1 GLU 51 79.174 -7.971 5.745 369 HG2 GLU 51 HG2 GLU 51 76.786 -8.217 5.236 370 HG3 GLU 51 HG1 GLU 51 77.162 -9.314 3.904 371 H VAL 52 HN VAL 52 76.473 -6.879 2.842 372 HA VAL 52 HA VAL 52 76.149 -4.314 4.207 373 HB VAL 52 HB VAL 52 74.031 -5.558 2.489 374 HG11 VAL 52 HG11 VAL 52 73.814 -3.270 3.454 375 HG12 VAL 52 HG12 VAL 52 73.789 -3.279 1.689 376 HG13 VAL 52 HG13 VAL 52 75.245 -2.783 2.547 377 HG21 VAL 52 HG21 VAL 52 75.357 -4.681 0.470 378 HG22 VAL 52 HG22 VAL 52 75.880 -6.204 1.177 379 HG23 VAL 52 HG23 VAL 52 76.763 -4.719 1.525 380 H VAL 53 HN VAL 53 74.353 -3.877 5.483 381 HA VAL 53 HA VAL 53 72.734 -6.089 6.507 382 HB VAL 53 HB VAL 53 74.553 -6.184 8.035 383 HG11 VAL 53 HG11 VAL 53 74.358 -3.159 8.160 384 HG12 VAL 53 HG12 VAL 53 75.642 -4.093 7.393 385 HG13 VAL 53 HG13 VAL 53 75.446 -4.143 9.146 386 HG21 VAL 53 HG21 VAL 53 73.539 -5.493 10.149 387 HG22 VAL 53 HG22 VAL 53 72.288 -6.127 9.084 388 HG23 VAL 53 HG23 VAL 53 72.459 -4.386 9.311 389 H PHE 54 HN PHE 54 70.814 -5.421 7.503 390 HA PHE 54 HA PHE 54 69.972 -2.675 6.779 391 HB2 PHE 54 HB2 PHE 54 68.556 -5.315 7.022 392 HB3 PHE 54 HB1 PHE 54 67.632 -3.833 7.228 393 HD1 PHE 54 HD2 PHE 54 70.355 -5.037 4.924 394 HD2 PHE 54 HD1 PHE 54 66.523 -3.124 5.308 395 HE1 PHE 54 HE2 PHE 54 70.232 -4.795 2.457 396 HE2 PHE 54 HE1 PHE 54 66.403 -2.885 2.838 397 HZ PHE 54 HZ PHE 54 68.255 -3.719 1.412 398 H PHE 55 HN PHE 55 69.023 -1.335 8.192 399 HA PHE 55 HA PHE 55 68.555 -2.183 10.967 400 HB2 PHE 55 HB2 PHE 55 70.271 0.130 10.067 401 HB3 PHE 55 HB1 PHE 55 69.508 0.102 11.649 402 HD1 PHE 55 HD2 PHE 55 72.063 -1.479 9.500 403 HD2 PHE 55 HD1 PHE 55 70.176 -1.461 13.357 404 HE1 PHE 55 HE2 PHE 55 73.913 -2.857 10.414 405 HE2 PHE 55 HE1 PHE 55 72.029 -2.830 14.271 406 HZ PHE 55 HZ PHE 55 73.899 -3.528 12.799 407 H GLU 56 HN GLU 56 66.838 -1.122 11.920 408 HA GLU 56 HA GLU 56 64.787 -0.094 11.935 409 HB2 GLU 56 HB2 GLU 56 66.369 1.935 10.345 410 HB3 GLU 56 HB1 GLU 56 64.731 2.211 10.949 411 HG2 GLU 56 HG2 GLU 56 65.481 1.828 13.245 412 HG3 GLU 56 HG1 GLU 56 67.118 1.493 12.669 413 H ASN 57 HN ASN 57 65.175 -2.086 10.000 414 HA ASN 57 HA ASN 57 64.128 -3.031 8.202 415 HB2 ASN 57 HB2 ASN 57 62.233 -0.675 8.379 416 HB3 ASN 57 HB1 ASN 57 61.943 -2.204 7.560 417 HD21 ASN 57 HD21 ASN 57 61.229 -0.610 10.392 418 HD22 ASN 57 HD22 ASN 57 60.985 -1.954 11.401 419 H GLY 58 HN GLY 58 66.370 -1.444 7.595 420 HA2 GLY 58 HA2 GLY 58 67.430 -0.860 5.610 421 HA3 GLY 58 HA1 GLY 58 65.881 -0.967 4.781 422 H LEU 59 HN LEU 59 65.277 0.961 7.358 423 HA LEU 59 HA LEU 59 65.066 3.312 5.809 424 HB2 LEU 59 HB2 LEU 59 63.874 2.642 8.015 425 HB3 LEU 59 HB1 LEU 59 65.290 3.311 8.811 426 HG LEU 59 HG LEU 59 64.896 5.411 7.336 427 HD11 LEU 59 HD11 LEU 59 62.326 5.649 6.929 428 HD12 LEU 59 HD12 LEU 59 62.306 3.884 6.967 429 HD13 LEU 59 HD13 LEU 59 63.269 4.733 5.761 430 HD21 LEU 59 HD21 LEU 59 63.190 6.271 8.978 431 HD22 LEU 59 HD22 LEU 59 64.549 5.445 9.745 432 HD23 LEU 59 HD23 LEU 59 62.998 4.626 9.576 433 H ARG 60 HN ARG 60 67.623 1.796 7.440 434 HA ARG 60 HA ARG 60 69.501 3.933 6.722 435 HB2 ARG 60 HB2 ARG 60 69.257 2.762 9.510 436 HB3 ARG 60 HB1 ARG 60 70.619 3.727 8.948 437 HG2 ARG 60 HG2 ARG 60 69.135 5.628 8.520 438 HG3 ARG 60 HG1 ARG 60 67.740 4.668 9.032 439 HD2 ARG 60 HD2 ARG 60 68.784 4.376 11.263 440 HD3 ARG 60 HD1 ARG 60 70.124 5.395 10.750 441 HE ARG 60 HE ARG 60 67.702 6.799 10.343 442 HH11 ARG 60 HH11 ARG 60 70.379 6.546 12.338 443 HH12 ARG 60 HH12 ARG 60 69.674 7.332 13.712 444 HH21 ARG 60 HH21 ARG 60 66.487 7.447 12.320 445 HH22 ARG 60 HH22 ARG 60 67.456 7.851 13.703 446 H HIS 61 HN HIS 61 70.379 2.507 5.162 447 HA HIS 61 HA HIS 61 71.164 -0.173 5.917 448 HB2 HIS 61 HB2 HIS 61 71.699 1.439 3.425 449 HB3 HIS 61 HB1 HIS 61 72.099 -0.264 3.632 450 HD1 HIS 61 HD1 HIS 61 69.409 1.959 2.612 451 HD2 HIS 61 HD2 HIS 61 69.652 -1.925 4.108 452 HE1 HIS 61 HE1 HIS 61 67.172 0.871 2.148 453 H LEU 62 HN LEU 62 73.024 -0.744 6.798 454 HA LEU 62 HA LEU 62 75.311 1.160 6.781 455 HB2 LEU 62 HB2 LEU 62 74.347 -0.856 8.798 456 HB3 LEU 62 HB1 LEU 62 76.034 -0.349 8.784 457 HG LEU 62 HG LEU 62 75.350 1.999 9.050 458 HD11 LEU 62 HD11 LEU 62 73.267 2.365 8.124 459 HD12 LEU 62 HD12 LEU 62 72.796 2.195 9.809 460 HD13 LEU 62 HD13 LEU 62 72.622 0.833 8.704 461 HD21 LEU 62 HD21 LEU 62 75.656 0.373 11.002 462 HD22 LEU 62 HD22 LEU 62 73.897 0.351 11.109 463 HD23 LEU 62 HD23 LEU 62 74.772 1.856 11.344 464 H LEU 63 HN LEU 63 77.144 0.544 5.809 465 HA LEU 63 HA LEU 63 77.502 -2.328 5.104 466 HB2 LEU 63 HB2 LEU 63 77.011 -1.185 3.062 467 HB3 LEU 63 HB1 LEU 63 78.084 0.146 3.464 468 HG LEU 63 HG LEU 63 80.038 -1.264 3.201 469 HD11 LEU 63 HD11 LEU 63 79.626 -3.683 2.378 470 HD12 LEU 63 HD12 LEU 63 78.006 -3.487 3.042 471 HD13 LEU 63 HD13 LEU 63 79.400 -3.370 4.091 472 HD21 LEU 63 HD21 LEU 63 79.850 -1.800 0.826 473 HD22 LEU 63 HD22 LEU 63 78.956 -0.313 1.160 474 HD23 LEU 63 HD23 LEU 63 78.094 -1.837 0.949 475 H LEU 64 HN LEU 64 79.202 -3.187 6.189 476 HA LEU 64 HA LEU 64 81.358 -1.396 7.090 477 HB2 LEU 64 HB2 LEU 64 80.085 -2.938 8.670 478 HB3 LEU 64 HB1 LEU 64 80.877 -4.280 7.838 479 HG LEU 64 HG LEU 64 83.096 -3.062 8.325 480 HD11 LEU 64 HD11 LEU 64 82.795 -1.706 10.566 481 HD12 LEU 64 HD12 LEU 64 81.169 -1.439 9.973 482 HD13 LEU 64 HD13 LEU 64 82.555 -0.905 9.022 483 HD21 LEU 64 HD21 LEU 64 82.477 -5.096 9.479 484 HD22 LEU 64 HD22 LEU 64 81.391 -4.208 10.551 485 HD23 LEU 64 HD23 LEU 64 83.135 -3.971 10.662 486 H LEU 65 HN LEU 65 83.182 -1.337 5.985 487 HA LEU 65 HA LEU 65 84.117 -3.755 4.518 488 HB2 LEU 65 HB2 LEU 65 84.714 -0.874 3.778 489 HB3 LEU 65 HB1 LEU 65 85.111 -2.318 2.854 490 HG LEU 65 HG LEU 65 82.332 -1.286 3.450 491 HD11 LEU 65 HD11 LEU 65 83.604 0.022 1.770 492 HD12 LEU 65 HD12 LEU 65 82.252 -0.838 1.035 493 HD13 LEU 65 HD13 LEU 65 83.896 -1.458 0.856 494 HD21 LEU 65 HD21 LEU 65 81.921 -3.545 3.273 495 HD22 LEU 65 HD22 LEU 65 83.360 -3.856 2.310 496 HD23 LEU 65 HD23 LEU 65 81.929 -3.156 1.561 497 H LYS 66 HN LYS 66 85.765 -4.572 5.867 498 HA LYS 66 HA LYS 66 87.477 -2.661 7.267 499 HB2 LYS 66 HB2 LYS 66 86.185 -4.922 8.061 500 HB3 LYS 66 HB1 LYS 66 87.742 -5.616 7.643 501 HG2 LYS 66 HG2 LYS 66 88.870 -4.113 9.207 502 HG3 LYS 66 HG1 LYS 66 87.365 -3.270 9.516 503 HD2 LYS 66 HD2 LYS 66 87.501 -4.724 11.356 504 HD3 LYS 66 HD1 LYS 66 86.447 -5.594 10.251 505 HE2 LYS 66 HE2 LYS 66 88.229 -7.045 11.237 506 HE3 LYS 66 HE1 LYS 66 88.319 -6.963 9.476 507 HZ1 LYS 66 HZ1 LYS 66 90.485 -6.677 10.669 508 HZ2 LYS 66 HZ2 LYS 66 89.896 -5.203 11.272 509 HZ3 LYS 66 HZ3 LYS 66 90.094 -5.421 9.601 510 H ASN 67 HN ASN 67 89.674 -4.190 7.631 511 HA ASN 67 HA ASN 67 91.825 -4.203 6.686 512 HB2 ASN 67 HB2 ASN 67 90.732 -6.530 6.517 513 HB3 ASN 67 HB1 ASN 67 90.537 -6.175 4.800 514 HD21 ASN 67 HD21 ASN 67 92.112 -7.873 4.253 515 HD22 ASN 67 HD22 ASN 67 93.769 -7.631 4.511 516 H LEU 68 HN LEU 68 90.670 -1.967 5.636 517 HA LEU 68 HA LEU 68 90.400 -1.908 2.823 518 HB2 LEU 68 HB2 LEU 68 91.165 0.342 4.675 519 HB3 LEU 68 HB1 LEU 68 90.490 0.516 3.058 520 HG LEU 68 HG LEU 68 89.124 -0.865 5.385 521 HD11 LEU 68 HD11 LEU 68 87.788 1.077 5.616 522 HD12 LEU 68 HD12 LEU 68 88.391 1.777 4.113 523 HD13 LEU 68 HD13 LEU 68 89.445 1.661 5.526 524 HD21 LEU 68 HD21 LEU 68 88.172 -1.848 3.475 525 HD22 LEU 68 HD22 LEU 68 88.352 -0.385 2.503 526 HD23 LEU 68 HD23 LEU 68 87.105 -0.473 3.743 527 H ARG 69 HN ARG 69 91.948 -2.497 1.472 528 HA ARG 69 HA ARG 69 94.703 -1.458 1.816 529 HB2 ARG 69 HB2 ARG 69 94.202 -3.523 -0.269 530 HB3 ARG 69 HB1 ARG 69 95.488 -3.437 0.941 531 HG2 ARG 69 HG2 ARG 69 93.827 -4.138 2.674 532 HG3 ARG 69 HG1 ARG 69 92.634 -4.352 1.396 533 HD2 ARG 69 HD2 ARG 69 93.963 -6.069 0.342 534 HD3 ARG 69 HD1 ARG 69 95.317 -5.749 1.421 535 HE ARG 69 HE ARG 69 93.256 -6.376 3.107 536 HH11 ARG 69 HH21 ARG 69 92.973 -7.947 0.287 537 HH12 ARG 69 HH22 ARG 69 93.417 -9.528 0.861 538 HH21 ARG 69 HH11 ARG 69 94.647 -8.344 3.879 539 HH22 ARG 69 HH12 ARG 69 94.386 -9.747 2.902 540 HA PRO 70 HA PRO 70 94.240 0.984 -1.840 541 HB2 PRO 70 HB2 PRO 70 96.302 -0.168 -3.539 542 HB3 PRO 70 HB1 PRO 70 96.368 1.334 -2.603 543 HG2 PRO 70 HG2 PRO 70 97.801 -1.003 -2.060 544 HG3 PRO 70 HG1 PRO 70 97.550 0.350 -0.953 545 HD2 PRO 70 HD2 PRO 70 96.261 -2.321 -0.948 546 HD3 PRO 70 HD1 PRO 70 96.476 -1.168 0.387 547 H GLN 71 HN GLN 71 94.294 -2.436 -2.307 548 HA GLN 71 HA GLN 71 93.385 -2.596 -4.973 549 HB2 GLN 71 HB2 GLN 71 94.269 -4.559 -3.766 550 HB3 GLN 71 HB1 GLN 71 92.856 -4.546 -2.708 551 HG2 GLN 71 HG2 GLN 71 91.386 -4.907 -4.664 552 HG3 GLN 71 HG1 GLN 71 92.789 -4.897 -5.728 553 HE21 GLN 71 HE21 GLN 71 91.053 -7.158 -5.554 554 HE22 GLN 71 HE22 GLN 71 91.922 -8.435 -4.856 555 H ASP 72 HN ASP 72 91.398 -3.141 -2.018 556 HA ASP 72 HA ASP 72 88.954 -3.180 -3.158 557 HB2 ASP 72 HB2 ASP 72 88.053 -2.395 -1.026 558 HB3 ASP 72 HB1 ASP 72 89.369 -3.536 -0.763 559 H SER 73 HN SER 73 90.782 -0.130 -2.403 560 HA SER 73 HA SER 73 88.985 1.790 -2.537 561 HB2 SER 73 HB2 SER 73 91.489 2.039 -2.636 562 HB3 SER 73 HB1 SER 73 91.363 1.845 -4.386 563 HG SER 73 HG SER 73 90.502 3.936 -2.731 564 H CYS 74 HN CYS 74 87.148 2.017 -3.640 565 HA CYS 74 HA CYS 74 87.201 2.260 -6.511 566 HB2 CYS 74 HB2 CYS 74 85.709 0.442 -7.054 567 HB3 CYS 74 HB1 CYS 74 87.117 -0.215 -6.214 568 HG CYS 74 HG CYS 74 84.245 -0.068 -5.066 569 H ARG 75 HN ARG 75 84.650 2.124 -7.236 570 HA ARG 75 HA ARG 75 83.428 4.296 -5.714 571 HB2 ARG 75 HB2 ARG 75 82.092 3.046 -8.097 572 HB3 ARG 75 HB1 ARG 75 82.086 4.724 -7.560 573 HG2 ARG 75 HG2 ARG 75 84.118 3.255 -9.203 574 HG3 ARG 75 HG1 ARG 75 83.442 4.863 -9.422 575 HD2 ARG 75 HD2 ARG 75 84.768 5.347 -7.164 576 HD3 ARG 75 HD1 ARG 75 85.746 3.992 -7.727 577 HE ARG 75 HE ARG 75 85.658 6.622 -8.868 578 HH11 ARG 75 HH11 ARG 75 87.358 3.784 -8.841 579 HH12 ARG 75 HH12 ARG 75 87.776 3.770 -10.525 580 HH21 ARG 75 HH21 ARG 75 85.647 6.390 -11.335 581 HH22 ARG 75 HH22 ARG 75 86.802 5.252 -11.939 582 H VAL 76 HN VAL 76 81.322 4.287 -4.946 583 HA VAL 76 HA VAL 76 80.214 1.596 -4.369 584 HB VAL 76 HB VAL 76 79.899 4.082 -2.678 585 HG11 VAL 76 HG11 VAL 76 79.330 1.148 -2.161 586 HG12 VAL 76 HG12 VAL 76 78.116 2.375 -2.514 587 HG13 VAL 76 HG13 VAL 76 79.058 2.468 -1.022 588 HG21 VAL 76 HG21 VAL 76 81.440 2.684 -1.116 589 HG22 VAL 76 HG22 VAL 76 82.195 3.571 -2.436 590 HG23 VAL 76 HG23 VAL 76 81.921 1.833 -2.578 591 H THR 77 HN THR 77 78.409 1.251 -5.467 592 HA THR 77 HA THR 77 76.695 3.578 -6.151 593 HB THR 77 HB THR 77 77.119 1.007 -7.694 594 HG1 THR 77 HG1 THR 77 77.563 3.335 -8.970 595 HG21 THR 77 HG21 THR 77 74.888 1.595 -8.120 596 HG22 THR 77 HG22 THR 77 75.760 2.422 -9.406 597 HG23 THR 77 HG23 THR 77 75.216 3.323 -7.992 598 H PHE 78 HN PHE 78 74.800 3.622 -5.260 599 HA PHE 78 HA PHE 78 73.448 1.092 -4.486 600 HB2 PHE 78 HB2 PHE 78 74.250 2.454 -2.528 601 HB3 PHE 78 HB1 PHE 78 73.265 3.798 -3.101 602 HD1 PHE 78 HD1 PHE 78 72.898 0.115 -2.442 603 HD2 PHE 78 HD2 PHE 78 71.144 4.028 -2.119 604 HE1 PHE 78 HE1 PHE 78 70.954 -0.852 -1.249 605 HE2 PHE 78 HE2 PHE 78 69.193 3.051 -0.936 606 HZ PHE 78 HZ PHE 78 69.104 0.614 -0.495 607 H LEU 79 HN LEU 79 71.763 0.813 -5.910 608 HA LEU 79 HA LEU 79 70.435 3.230 -7.013 609 HB2 LEU 79 HB2 LEU 79 71.621 1.571 -8.547 610 HB3 LEU 79 HB1 LEU 79 70.332 0.442 -8.167 611 HG LEU 79 HG LEU 79 69.752 3.234 -9.202 612 HD11 LEU 79 HD11 LEU 79 69.514 2.167 -11.461 613 HD12 LEU 79 HD12 LEU 79 70.275 0.714 -10.804 614 HD13 LEU 79 HD13 LEU 79 71.180 2.234 -10.880 615 HD21 LEU 79 HD21 LEU 79 67.734 2.312 -8.439 616 HD22 LEU 79 HD22 LEU 79 68.184 0.673 -8.893 617 HD23 LEU 79 HD23 LEU 79 67.722 1.841 -10.133 618 H ALA 80 HN ALA 80 68.921 3.542 -5.334 619 HA ALA 80 HA ALA 80 66.889 1.427 -4.921 620 HB1 ALA 80 HB1 ALA 80 66.258 2.591 -2.932 621 HB2 ALA 80 HB2 ALA 80 67.160 4.030 -3.398 622 HB3 ALA 80 HB3 ALA 80 68.019 2.565 -2.933 623 H GLY 81 HN GLY 81 65.696 1.702 -6.850 624 HA2 GLY 81 HA2 GLY 81 64.123 2.660 -8.256 625 HA3 GLY 81 HA1 GLY 81 63.568 3.492 -6.808 626 H ASP 82 HN ASP 82 63.066 5.308 -8.257 627 HA ASP 82 HA ASP 82 64.731 6.714 -9.909 628 HB2 ASP 82 HB2 ASP 82 62.537 7.587 -8.024 629 HB3 ASP 82 HB1 ASP 82 63.335 8.733 -9.102 630 H MET 83 HN MET 83 65.709 6.055 -6.856 631 HA MET 83 HA MET 83 67.179 8.623 -6.552 632 HB2 MET 83 HB2 MET 83 66.245 6.622 -4.498 633 HB3 MET 83 HB1 MET 83 67.329 7.960 -4.139 634 HG2 MET 83 HG2 MET 83 65.559 9.395 -3.983 635 HG3 MET 83 HG1 MET 83 65.042 8.979 -5.610 636 HE1 MET 83 HE1 MET 83 65.521 7.660 -2.209 637 HE2 MET 83 HE2 MET 83 65.027 6.029 -2.628 638 HE3 MET 83 HE3 MET 83 63.969 7.043 -1.650 639 H VAL 84 HN VAL 84 69.317 8.528 -6.799 640 HA VAL 84 HA VAL 84 70.699 5.946 -6.323 641 HB VAL 84 HB VAL 84 70.520 6.109 -8.696 642 HG11 VAL 84 HG11 VAL 84 71.590 8.941 -8.464 643 HG12 VAL 84 HG12 VAL 84 69.899 8.529 -8.757 644 HG13 VAL 84 HG13 VAL 84 71.119 8.115 -9.950 645 HG21 VAL 84 HG21 VAL 84 73.235 7.267 -8.006 646 HG22 VAL 84 HG22 VAL 84 72.839 6.165 -9.324 647 HG23 VAL 84 HG23 VAL 84 72.784 5.597 -7.655 648 H THR 85 HN THR 85 72.478 6.079 -5.102 649 HA THR 85 HA THR 85 73.710 8.726 -4.565 650 HB THR 85 HB THR 85 73.647 8.350 -2.256 651 HG1 THR 85 HG1 THR 85 72.963 5.651 -2.600 652 HG21 THR 85 HG21 THR 85 71.212 6.848 -3.259 653 HG22 THR 85 HG22 THR 85 71.336 8.599 -3.117 654 HG23 THR 85 HG23 THR 85 71.390 7.592 -1.673 655 H SER 86 HN SER 86 75.930 8.717 -4.802 656 HA SER 86 HA SER 86 77.452 6.289 -4.308 657 HB2 SER 86 HB2 SER 86 78.346 6.057 -6.529 658 HB3 SER 86 HB1 SER 86 76.588 6.026 -6.645 659 HG SER 86 HG SER 86 76.628 8.171 -7.283 660 H ALA 87 HN ALA 87 79.686 6.587 -4.247 661 HA ALA 87 HA ALA 87 80.833 9.212 -4.756 662 HB1 ALA 87 HB1 ALA 87 79.937 9.629 -2.567 663 HB2 ALA 87 HB2 ALA 87 81.671 9.388 -2.391 664 HB3 ALA 87 HB3 ALA 87 80.552 8.093 -1.963 665 H PHE 88 HN PHE 88 83.184 9.228 -4.184 666 HA PHE 88 HA PHE 88 84.392 6.783 -5.148 667 HB2 PHE 88 HB2 PHE 88 85.576 9.457 -4.361 668 HB3 PHE 88 HB1 PHE 88 86.482 8.132 -5.090 669 HD1 PHE 88 HD2 PHE 88 83.743 10.558 -5.607 670 HD2 PHE 88 HD1 PHE 88 86.247 7.581 -7.424 671 HE1 PHE 88 HE2 PHE 88 82.945 11.259 -7.840 672 HE2 PHE 88 HE1 PHE 88 85.441 8.278 -9.668 673 HZ PHE 88 HZ PHE 88 83.791 10.123 -9.873 674 H LEU 89 HN LEU 89 86.437 6.011 -4.080 675 HA LEU 89 HA LEU 89 86.229 5.989 -1.114 676 HB2 LEU 89 HB2 LEU 89 85.436 3.826 -2.016 677 HB3 LEU 89 HB1 LEU 89 86.937 3.668 -2.924 678 HG LEU 89 HG LEU 89 88.244 3.449 -0.919 679 HD11 LEU 89 HD11 LEU 89 86.896 3.352 1.321 680 HD12 LEU 89 HD12 LEU 89 85.697 4.307 0.450 681 HD13 LEU 89 HD13 LEU 89 87.330 4.929 0.668 682 HD21 LEU 89 HD21 LEU 89 85.732 1.828 -0.456 683 HD22 LEU 89 HD22 LEU 89 87.394 1.368 -0.094 684 HD23 LEU 89 HD23 LEU 89 86.851 1.477 -1.766 685 H THR 90 HN THR 90 88.143 6.395 -0.065 686 HA THR 90 HA THR 90 90.614 6.504 -1.723 687 HB THR 90 HB THR 90 89.794 8.394 0.499 688 HG1 THR 90 HG1 THR 90 90.017 8.643 -2.313 689 HG21 THR 90 HG21 THR 90 92.300 8.114 -1.175 690 HG22 THR 90 HG22 THR 90 92.166 8.166 0.583 691 HG23 THR 90 HG23 THR 90 91.874 9.620 -0.363 692 H VAL 91 HN VAL 91 91.915 4.935 -1.105 693 HA VAL 91 HA VAL 91 92.317 4.493 1.805 694 HB VAL 91 HB VAL 91 91.866 2.417 -0.342 695 HG11 VAL 91 HG11 VAL 91 93.722 1.581 0.916 696 HG12 VAL 91 HG12 VAL 91 92.299 0.787 1.571 697 HG13 VAL 91 HG13 VAL 91 93.029 2.138 2.442 698 HG21 VAL 91 HG21 VAL 91 89.891 3.481 0.841 699 HG22 VAL 91 HG22 VAL 91 90.513 2.798 2.348 700 HG23 VAL 91 HG23 VAL 91 90.009 1.731 1.035 701 H ARG 92 HN ARG 92 94.404 4.890 2.289 702 HA ARG 92 HA ARG 92 96.493 4.571 0.251 703 HB2 ARG 92 HB2 ARG 92 96.539 5.834 3.009 704 HB3 ARG 92 HB1 ARG 92 97.876 5.855 1.858 705 HG2 ARG 92 HG2 ARG 92 95.162 6.936 1.097 706 HG3 ARG 92 HG1 ARG 92 96.315 7.937 1.975 707 HD2 ARG 92 HD2 ARG 92 97.993 7.474 0.173 708 HD3 ARG 92 HD1 ARG 92 96.736 6.631 -0.728 709 HE ARG 92 HE ARG 92 96.234 9.418 0.079 710 HH11 ARG 92 HH21 ARG 92 98.334 9.124 -2.098 711 HH12 ARG 92 HH22 ARG 92 97.374 9.280 -3.538 712 HH21 ARG 92 HH11 ARG 92 94.365 8.741 -1.901 713 HH22 ARG 92 HH12 ARG 92 95.123 9.097 -3.415 714 H GLY 93 HN GLY 93 97.965 2.979 0.318 715 HA2 GLY 93 HA2 GLY 93 97.733 0.930 2.390 716 HA3 GLY 93 HA1 GLY 93 98.712 0.838 0.931 717 H GLY 94 HN GLY 94 100.121 -0.090 2.809 718 HA2 GLY 94 HA2 GLY 94 101.948 2.086 3.650 719 HA3 GLY 94 HA1 GLY 94 101.438 0.865 4.813 720 H LEU 95 HN LEU 95 101.755 -1.435 4.035 721 HA LEU 95 HA LEU 95 104.389 -1.716 2.688 722 HB2 LEU 95 HB2 LEU 95 103.117 -3.505 4.787 723 HB3 LEU 95 HB1 LEU 95 104.722 -3.710 4.074 724 HG LEU 95 HG LEU 95 103.808 -1.334 5.737 725 HD11 LEU 95 HD11 LEU 95 105.344 -2.222 7.430 726 HD12 LEU 95 HD12 LEU 95 105.784 -3.553 6.364 727 HD13 LEU 95 HD13 LEU 95 104.148 -3.446 7.014 728 HD21 LEU 95 HD21 LEU 95 106.307 -1.939 4.160 729 HD22 LEU 95 HD22 LEU 95 106.443 -1.006 5.654 730 HD23 LEU 95 HD23 LEU 95 105.433 -0.413 4.335 731 H GLU 96 HN GLU 96 104.429 -2.965 0.855 732 HA GLU 96 HA GLU 96 101.930 -3.998 -0.185 733 HB2 GLU 96 HB2 GLU 96 104.747 -4.051 -1.282 734 HB3 GLU 96 HB1 GLU 96 103.344 -4.666 -2.145 735 HG2 GLU 96 HG2 GLU 96 102.281 -2.448 -2.013 736 HG3 GLU 96 HG1 GLU 96 103.689 -1.831 -1.142 737 H HIS 97 HN HIS 97 104.906 -5.788 -0.681 738 HA HIS 97 HA HIS 97 104.111 -7.957 1.091 739 HB2 HIS 97 HB2 HIS 97 102.707 -8.367 -0.870 740 HB3 HIS 97 HB1 HIS 97 104.126 -8.342 -1.912 741 HD1 HIS 97 HD1 HIS 97 103.003 -10.190 1.231 742 HD2 HIS 97 HD2 HIS 97 105.146 -10.880 -2.276 743 HE1 HIS 97 HE1 HIS 97 103.645 -12.638 1.257 744 H HIS 98 HN HIS 98 106.200 -7.031 -1.629 745 HA HIS 98 HA HIS 98 108.528 -8.154 -0.189 746 HB2 HIS 98 HB2 HIS 98 109.366 -9.017 -2.377 747 HB3 HIS 98 HB1 HIS 98 107.887 -9.825 -1.851 748 HD1 HIS 98 HD1 HIS 98 105.629 -9.077 -3.072 749 HD2 HIS 98 HD2 HIS 98 109.111 -7.506 -4.750 750 HE1 HIS 98 HE1 HIS 98 104.974 -8.122 -5.326 751 H HIS 99 HN HIS 99 108.258 -5.540 0.087 752 HA HIS 99 HA HIS 99 109.515 -4.136 -2.169 753 HB2 HIS 99 HB2 HIS 99 109.100 -2.107 -0.906 754 HB3 HIS 99 HB1 HIS 99 107.626 -3.074 -0.906 755 HD1 HIS 99 HD1 HIS 99 110.284 -1.727 1.303 756 HD2 HIS 99 HD2 HIS 99 107.100 -4.393 1.643 757 HE1 HIS 99 HE1 HIS 99 109.923 -2.095 3.778 758 H HIS 100 HN HIS 100 110.409 -5.850 0.576 759 HA HIS 100 HA HIS 100 113.166 -4.832 0.437 760 HB2 HIS 100 HB2 HIS 100 112.092 -3.574 2.265 761 HB3 HIS 100 HB1 HIS 100 111.574 -5.088 3.001 762 HD1 HIS 100 HD1 HIS 100 114.890 -3.667 1.739 763 HD2 HIS 100 HD2 HIS 100 113.365 -5.891 4.916 764 HE1 HIS 100 HE1 HIS 100 116.839 -4.137 3.286 765 H HIS 101 HN HIS 101 114.700 -6.298 1.453 766 HA HIS 101 HA HIS 101 113.800 -8.951 2.232 767 HB2 HIS 101 HB2 HIS 101 115.162 -10.096 0.484 768 HB3 HIS 101 HB1 HIS 101 113.811 -9.195 -0.205 769 HD1 HIS 101 HD1 HIS 101 114.792 -6.399 -0.326 770 HD2 HIS 101 HD2 HIS 101 117.305 -9.600 -1.240 771 HE1 HIS 101 HE1 HIS 101 116.649 -5.462 -1.760 772 H HIS 102 HN HIS 102 115.580 -10.283 3.011 773 HA HIS 102 HA HIS 102 117.452 -10.588 4.296 774 HB2 HIS 102 HB2 HIS 102 118.566 -10.182 2.133 775 HB3 HIS 102 HB1 HIS 102 118.600 -8.450 2.492 776 HD1 HIS 102 HD1 HIS 102 119.053 -9.699 5.666 777 HD2 HIS 102 HD2 HIS 102 121.556 -9.680 2.334 778 HE1 HIS 102 HE1 HIS 102 121.404 -10.034 6.540 Start of MODEL 8 1 H1 THR 1 HT1 THR 1 58.088 0.935 -3.114 2 H2 THR 1 HT2 THR 1 58.923 -0.540 -3.233 3 H3 THR 1 HT3 THR 1 57.925 -0.233 -1.898 4 HA THR 1 HA THR 1 57.166 -0.874 -4.677 5 HB THR 1 HB THR 1 55.623 -2.411 -3.478 6 HG1 THR 1 HG1 THR 1 55.490 -1.041 -1.601 7 HG21 THR 1 HG21 THR 1 58.544 -2.503 -2.708 8 HG22 THR 1 HG22 THR 1 57.762 -3.323 -4.066 9 HG23 THR 1 HG23 THR 1 57.424 -3.834 -2.411 10 H ALA 2 HN ALA 2 56.725 1.519 -2.413 11 HA ALA 2 HA ALA 2 54.186 2.352 -3.640 12 HB1 ALA 2 HB1 ALA 2 54.623 1.969 -0.672 13 HB2 ALA 2 HB2 ALA 2 53.383 1.229 -1.680 14 HB3 ALA 2 HB3 ALA 2 53.323 2.957 -1.333 15 H LYS 3 HN LYS 3 57.057 3.083 -1.758 16 HA LYS 3 HA LYS 3 57.219 5.701 -2.917 17 HB2 LYS 3 HB2 LYS 3 55.557 5.951 -0.982 18 HB3 LYS 3 HB1 LYS 3 56.926 5.634 0.092 19 HG2 LYS 3 HG2 LYS 3 58.155 7.521 -0.931 20 HG3 LYS 3 HG1 LYS 3 56.786 7.834 -1.995 21 HD2 LYS 3 HD2 LYS 3 55.357 8.204 0.006 22 HD3 LYS 3 HD1 LYS 3 56.781 7.983 1.026 23 HE2 LYS 3 HE2 LYS 3 56.382 10.377 0.620 24 HE3 LYS 3 HE1 LYS 3 57.894 9.860 -0.128 25 HZ1 LYS 3 HZ1 LYS 3 56.115 11.240 -1.453 26 HZ2 LYS 3 HZ2 LYS 3 55.454 9.701 -1.726 27 HZ3 LYS 3 HZ3 LYS 3 57.042 10.039 -2.209 28 H ASN 4 HN ASN 4 59.336 6.127 -3.165 29 HA ASN 4 HA ASN 4 61.227 5.305 -1.098 30 HB2 ASN 4 HB2 ASN 4 62.731 4.365 -2.895 31 HB3 ASN 4 HB1 ASN 4 61.317 3.390 -2.507 32 HD21 ASN 4 HD21 ASN 4 59.318 3.900 -3.970 33 HD22 ASN 4 HD22 ASN 4 59.640 4.191 -5.610 34 H THR 5 HN THR 5 62.098 7.243 -0.620 35 HA THR 5 HA THR 5 63.233 8.816 -2.862 36 HB THR 5 HB THR 5 61.434 9.900 -0.673 37 HG1 THR 5 HG1 THR 5 60.848 10.816 -3.037 38 HG21 THR 5 HG21 THR 5 61.911 12.119 -1.724 39 HG22 THR 5 HG22 THR 5 63.193 11.352 -2.663 40 HG23 THR 5 HG23 THR 5 63.313 11.428 -0.909 41 H VAL 6 HN VAL 6 65.340 8.877 -2.490 42 HA VAL 6 HA VAL 6 66.521 8.377 0.033 43 HB VAL 6 HB VAL 6 67.643 7.966 -2.150 44 HG11 VAL 6 HG11 VAL 6 68.180 10.940 -2.146 45 HG12 VAL 6 HG12 VAL 6 66.932 10.190 -3.133 46 HG13 VAL 6 HG13 VAL 6 68.622 9.767 -3.385 47 HG21 VAL 6 HG21 VAL 6 69.887 8.863 -1.403 48 HG22 VAL 6 HG22 VAL 6 69.013 7.940 -0.182 49 HG23 VAL 6 HG23 VAL 6 69.044 9.697 -0.102 50 H VAL 7 HN VAL 7 67.091 9.660 1.653 51 HA VAL 7 HA VAL 7 66.403 12.509 1.534 52 HB VAL 7 HB VAL 7 67.278 10.789 3.875 53 HG11 VAL 7 HG11 VAL 7 67.763 13.120 4.296 54 HG12 VAL 7 HG12 VAL 7 66.290 12.708 5.183 55 HG13 VAL 7 HG13 VAL 7 66.183 13.607 3.672 56 HG21 VAL 7 HG21 VAL 7 64.890 10.852 4.506 57 HG22 VAL 7 HG22 VAL 7 65.107 10.075 2.939 58 HG23 VAL 7 HG23 VAL 7 64.521 11.736 3.027 59 H ARG 8 HN ARG 8 69.088 10.310 2.127 60 HA ARG 8 HA ARG 8 70.973 12.463 1.490 61 HB2 ARG 8 HB2 ARG 8 71.455 12.609 3.728 62 HB3 ARG 8 HB1 ARG 8 70.748 11.043 4.089 63 HG2 ARG 8 HG2 ARG 8 72.733 9.891 3.330 64 HG3 ARG 8 HG1 ARG 8 73.407 11.387 2.681 65 HD2 ARG 8 HD2 ARG 8 72.761 10.975 5.616 66 HD3 ARG 8 HD1 ARG 8 74.365 10.732 4.926 67 HE ARG 8 HE ARG 8 73.480 13.285 4.165 68 HH11 ARG 8 HH21 ARG 8 74.698 11.468 6.823 69 HH12 ARG 8 HH22 ARG 8 75.096 12.858 7.778 70 HH21 ARG 8 HH11 ARG 8 73.778 15.121 5.508 71 HH22 ARG 8 HH12 ARG 8 74.550 14.927 7.046 72 H GLY 9 HN GLY 9 72.558 11.835 0.212 73 HA2 GLY 9 HA2 GLY 9 72.576 9.063 -0.738 74 HA3 GLY 9 HA1 GLY 9 73.315 10.452 -1.543 75 H LEU 10 HN LEU 10 75.169 8.833 -1.642 76 HA LEU 10 HA LEU 10 76.604 8.290 0.800 77 HB2 LEU 10 HB2 LEU 10 77.348 7.994 -2.107 78 HB3 LEU 10 HB1 LEU 10 78.359 7.447 -0.773 79 HG LEU 10 HG LEU 10 75.466 6.581 -0.906 80 HD11 LEU 10 HD11 LEU 10 76.130 4.608 -2.208 81 HD12 LEU 10 HD12 LEU 10 77.771 5.234 -2.351 82 HD13 LEU 10 HD13 LEU 10 76.432 6.082 -3.118 83 HD21 LEU 10 HD21 LEU 10 76.661 6.009 1.125 84 HD22 LEU 10 HD22 LEU 10 78.029 5.380 0.198 85 HD23 LEU 10 HD23 LEU 10 76.486 4.536 0.175 86 H GLU 11 HN GLU 11 78.936 8.925 1.003 87 HA GLU 11 HA GLU 11 79.550 11.589 -0.098 88 HB2 GLU 11 HB2 GLU 11 80.087 12.491 2.072 89 HB3 GLU 11 HB1 GLU 11 78.427 11.884 2.114 90 HG2 GLU 11 HG2 GLU 11 79.242 9.789 3.171 91 HG3 GLU 11 HG1 GLU 11 80.879 10.438 3.179 92 H ASN 12 HN ASN 12 81.824 12.208 0.382 93 HA ASN 12 HA ASN 12 83.601 10.191 -0.444 94 HB2 ASN 12 HB2 ASN 12 85.380 11.838 0.234 95 HB3 ASN 12 HB1 ASN 12 84.158 12.482 -0.861 96 HD21 ASN 12 HD21 ASN 12 83.515 14.525 -0.235 97 HD22 ASN 12 HD22 ASN 12 83.383 15.064 1.366 98 H VAL 13 HN VAL 13 85.095 8.946 0.631 99 HA VAL 13 HA VAL 13 85.061 8.964 3.597 100 HB VAL 13 HB VAL 13 84.664 6.558 1.804 101 HG11 VAL 13 HG11 VAL 13 84.682 5.317 4.075 102 HG12 VAL 13 HG12 VAL 13 85.563 6.720 4.686 103 HG13 VAL 13 HG13 VAL 13 86.241 5.757 3.380 104 HG21 VAL 13 HG21 VAL 13 82.638 7.777 2.438 105 HG22 VAL 13 HG22 VAL 13 83.112 7.725 4.139 106 HG23 VAL 13 HG23 VAL 13 82.695 6.233 3.290 107 H GLU 14 HN GLU 14 87.012 8.798 4.521 108 HA GLU 14 HA GLU 14 89.332 8.026 2.832 109 HB2 GLU 14 HB2 GLU 14 89.146 10.315 4.820 110 HB3 GLU 14 HB1 GLU 14 90.634 9.769 4.054 111 HG2 GLU 14 HG2 GLU 14 89.989 11.527 2.654 112 HG3 GLU 14 HG1 GLU 14 89.332 10.133 1.812 113 H ALA 15 HN ALA 15 90.685 6.549 3.707 114 HA ALA 15 HA ALA 15 90.972 6.274 6.583 115 HB1 ALA 15 HB1 ALA 15 88.961 4.976 6.289 116 HB2 ALA 15 HB2 ALA 15 90.308 3.868 6.580 117 HB3 ALA 15 HB3 ALA 15 89.682 4.090 4.945 118 H LEU 16 HN LEU 16 92.845 5.207 7.175 119 HA LEU 16 HA LEU 16 94.816 4.879 5.103 120 HB2 LEU 16 HB2 LEU 16 94.860 4.653 8.102 121 HB3 LEU 16 HB1 LEU 16 96.240 4.117 7.148 122 HG LEU 16 HG LEU 16 95.074 6.833 6.574 123 HD11 LEU 16 HD11 LEU 16 96.781 7.737 8.271 124 HD12 LEU 16 HD12 LEU 16 96.792 6.113 8.961 125 HD13 LEU 16 HD13 LEU 16 95.294 7.052 8.937 126 HD21 LEU 16 HD21 LEU 16 97.139 7.251 5.609 127 HD22 LEU 16 HD22 LEU 16 97.084 5.503 5.396 128 HD23 LEU 16 HD23 LEU 16 98.008 6.201 6.722 129 H GLU 17 HN GLU 17 96.202 2.998 4.954 130 HA GLU 17 HA GLU 17 94.969 0.731 4.092 131 HB2 GLU 17 HB2 GLU 17 97.384 1.243 3.884 132 HB3 GLU 17 HB1 GLU 17 97.608 0.768 5.566 133 HG2 GLU 17 HG2 GLU 17 96.783 -1.479 5.057 134 HG3 GLU 17 HG1 GLU 17 96.477 -1.009 3.385 135 H GLY 18 HN GLY 18 94.489 -1.345 4.974 136 HA2 GLY 18 HA2 GLY 18 93.489 -2.708 6.538 137 HA3 GLY 18 HA1 GLY 18 94.805 -2.199 7.591 138 H GLY 19 HN GLY 19 92.681 0.216 6.311 139 HA2 GLY 19 HA2 GLY 19 91.774 0.886 8.999 140 HA3 GLY 19 HA1 GLY 19 91.534 1.834 7.539 141 H GLU 20 HN GLU 20 89.400 1.912 8.828 142 HA GLU 20 HA GLU 20 87.587 -0.210 7.815 143 HB2 GLU 20 HB2 GLU 20 87.834 -0.210 10.300 144 HB3 GLU 20 HB1 GLU 20 87.240 1.453 10.326 145 HG2 GLU 20 HG2 GLU 20 85.150 0.731 9.251 146 HG3 GLU 20 HG1 GLU 20 85.748 -0.927 9.191 147 H ALA 21 HN ALA 21 85.658 0.485 6.877 148 HA ALA 21 HA ALA 21 85.210 3.403 6.650 149 HB1 ALA 21 HB1 ALA 21 85.456 1.426 4.379 150 HB2 ALA 21 HB2 ALA 21 86.378 2.905 4.627 151 HB3 ALA 21 HB3 ALA 21 84.669 2.991 4.197 152 H LEU 22 HN LEU 22 83.124 3.995 6.674 153 HA LEU 22 HA LEU 22 81.050 1.946 6.315 154 HB2 LEU 22 HB2 LEU 22 80.002 3.414 8.416 155 HB3 LEU 22 HB1 LEU 22 80.779 1.844 8.580 156 HG LEU 22 HG LEU 22 82.981 3.040 8.909 157 HD11 LEU 22 HD11 LEU 22 82.751 5.473 9.569 158 HD12 LEU 22 HD12 LEU 22 81.099 5.429 8.951 159 HD13 LEU 22 HD13 LEU 22 82.459 5.168 7.859 160 HD21 LEU 22 HD21 LEU 22 82.509 3.568 11.231 161 HD22 LEU 22 HD22 LEU 22 81.508 2.192 10.766 162 HD23 LEU 22 HD23 LEU 22 80.798 3.803 10.877 163 H PHE 23 HN PHE 23 79.333 2.604 5.240 164 HA PHE 23 HA PHE 23 79.160 5.485 4.526 165 HB2 PHE 23 HB2 PHE 23 78.433 2.986 2.995 166 HB3 PHE 23 HB1 PHE 23 77.823 4.576 2.543 167 HD1 PHE 23 HD2 PHE 23 79.363 6.360 1.820 168 HD2 PHE 23 HD1 PHE 23 80.761 2.386 2.661 169 HE1 PHE 23 HE2 PHE 23 81.478 6.851 0.630 170 HE2 PHE 23 HE1 PHE 23 82.883 2.885 1.474 171 HZ PHE 23 HZ PHE 23 83.241 5.126 0.461 172 H GLU 24 HN GLU 24 77.687 6.386 5.825 173 HA GLU 24 HA GLU 24 75.262 4.900 6.552 174 HB2 GLU 24 HB2 GLU 24 76.460 7.506 7.484 175 HB3 GLU 24 HB1 GLU 24 74.848 6.981 7.959 176 HG2 GLU 24 HG2 GLU 24 76.354 6.255 9.681 177 HG3 GLU 24 HG1 GLU 24 75.882 4.824 8.768 178 H CYS 25 HN CYS 25 73.791 4.905 5.011 179 HA CYS 25 HA CYS 25 73.060 7.425 3.625 180 HB2 CYS 25 HB2 CYS 25 72.119 4.651 2.879 181 HB3 CYS 25 HB1 CYS 25 72.178 6.098 1.877 182 HG CYS 25 HG CYS 25 74.564 4.236 2.499 183 H GLN 26 HN GLN 26 70.741 7.757 3.296 184 HA GLN 26 HA GLN 26 69.035 6.621 5.451 185 HB2 GLN 26 HB2 GLN 26 69.874 8.896 6.035 186 HB3 GLN 26 HB1 GLN 26 69.136 9.504 4.557 187 HG2 GLN 26 HG2 GLN 26 67.643 9.922 6.409 188 HG3 GLN 26 HG1 GLN 26 66.928 8.699 5.362 189 HE21 GLN 26 HE21 GLN 26 65.749 7.491 6.925 190 HE22 GLN 26 HE22 GLN 26 66.483 6.705 8.243 191 H LEU 27 HN LEU 27 67.339 5.657 4.580 192 HA LEU 27 HA LEU 27 66.341 6.563 1.944 193 HB2 LEU 27 HB2 LEU 27 66.731 3.889 3.189 194 HB3 LEU 27 HB1 LEU 27 65.385 4.062 2.088 195 HG LEU 27 HG LEU 27 68.196 4.906 1.358 196 HD11 LEU 27 HD11 LEU 27 66.826 2.220 1.199 197 HD12 LEU 27 HD12 LEU 27 68.459 2.596 1.737 198 HD13 LEU 27 HD13 LEU 27 68.061 2.663 0.021 199 HD21 LEU 27 HD21 LEU 27 66.736 5.891 -0.204 200 HD22 LEU 27 HD22 LEU 27 65.565 4.569 -0.105 201 HD23 LEU 27 HD23 LEU 27 67.076 4.348 -0.977 202 H SER 28 HN SER 28 64.323 7.151 1.683 203 HA SER 28 HA SER 28 62.445 7.002 3.939 204 HB2 SER 28 HB2 SER 28 62.049 8.262 1.210 205 HB3 SER 28 HB1 SER 28 61.038 8.483 2.630 206 HG SER 28 HG SER 28 62.871 9.436 3.656 207 H GLN 29 HN GLN 29 61.768 4.897 3.986 208 HA GLN 29 HA GLN 29 59.792 3.903 2.415 209 HB2 GLN 29 HB2 GLN 29 61.127 2.022 1.245 210 HB3 GLN 29 HB1 GLN 29 61.083 3.611 0.485 211 HG2 GLN 29 HG2 GLN 29 63.317 4.017 0.880 212 HG3 GLN 29 HG1 GLN 29 63.306 3.171 2.426 213 HE21 GLN 29 HE21 GLN 29 62.145 1.723 -0.608 214 HE22 GLN 29 HE22 GLN 29 63.374 0.563 -0.719 215 HA PRO 30 HA PRO 30 60.546 1.674 6.292 216 HB2 PRO 30 HB2 PRO 30 58.044 0.230 6.052 217 HB3 PRO 30 HB1 PRO 30 58.437 1.562 7.144 218 HG2 PRO 30 HG2 PRO 30 56.732 1.639 4.877 219 HG3 PRO 30 HG1 PRO 30 57.221 2.994 5.904 220 HD2 PRO 30 HD2 PRO 30 58.095 2.368 3.186 221 HD3 PRO 30 HD1 PRO 30 58.415 3.822 4.162 222 H GLU 31 HN GLU 31 59.984 0.323 3.156 223 HA GLU 31 HA GLU 31 61.514 -2.062 3.895 224 HB2 GLU 31 HB2 GLU 31 59.189 -2.739 4.305 225 HB3 GLU 31 HB1 GLU 31 58.755 -2.259 2.665 226 HG2 GLU 31 HG2 GLU 31 60.295 -3.930 1.738 227 HG3 GLU 31 HG1 GLU 31 60.818 -4.376 3.361 228 H VAL 32 HN VAL 32 62.720 -2.885 2.236 229 HA VAL 32 HA VAL 32 62.404 -1.601 -0.429 230 HB VAL 32 HB VAL 32 64.484 -0.984 0.857 231 HG11 VAL 32 HG11 VAL 32 66.095 -2.547 1.479 232 HG12 VAL 32 HG12 VAL 32 65.572 -3.734 0.283 233 HG13 VAL 32 HG13 VAL 32 64.629 -3.487 1.754 234 HG21 VAL 32 HG21 VAL 32 65.999 -1.402 -1.060 235 HG22 VAL 32 HG22 VAL 32 64.405 -0.880 -1.599 236 HG23 VAL 32 HG23 VAL 32 64.861 -2.585 -1.700 237 H ALA 33 HN ALA 33 61.471 -3.042 -1.775 238 HA ALA 33 HA ALA 33 62.224 -5.898 -1.573 239 HB1 ALA 33 HB1 ALA 33 59.816 -5.222 -1.320 240 HB2 ALA 33 HB2 ALA 33 60.127 -6.392 -2.604 241 HB3 ALA 33 HB3 ALA 33 59.853 -4.693 -3.003 242 H ALA 34 HN ALA 34 63.135 -3.252 -3.249 243 HA ALA 34 HA ALA 34 64.136 -4.865 -5.452 244 HB1 ALA 34 HB1 ALA 34 62.388 -2.461 -5.994 245 HB2 ALA 34 HB2 ALA 34 61.900 -4.143 -6.224 246 HB3 ALA 34 HB3 ALA 34 63.209 -3.458 -7.196 247 H HIS 35 HN HIS 35 66.206 -4.396 -5.012 248 HA HIS 35 HA HIS 35 67.114 -1.719 -5.648 249 HB2 HIS 35 HB2 HIS 35 68.453 -1.494 -3.571 250 HB3 HIS 35 HB1 HIS 35 66.721 -1.454 -3.273 251 HD1 HIS 35 HD1 HIS 35 65.762 -4.094 -2.751 252 HD2 HIS 35 HD2 HIS 35 69.716 -3.167 -1.812 253 HE1 HIS 35 HE1 HIS 35 66.489 -5.757 -0.982 254 H THR 36 HN THR 36 69.365 -1.604 -6.073 255 HA THR 36 HA THR 36 70.772 -4.207 -6.250 256 HB THR 36 HB THR 36 70.731 -2.125 -8.452 257 HG1 THR 36 HG1 THR 36 69.814 -4.452 -9.235 258 HG21 THR 36 HG21 THR 36 72.846 -3.413 -8.227 259 HG22 THR 36 HG22 THR 36 71.979 -3.842 -9.700 260 HG23 THR 36 HG23 THR 36 71.922 -4.911 -8.299 261 H TRP 37 HN TRP 37 72.712 -4.126 -5.332 262 HA TRP 37 HA TRP 37 74.048 -1.489 -5.010 263 HB2 TRP 37 HB2 TRP 37 73.146 -2.798 -2.912 264 HB3 TRP 37 HB1 TRP 37 74.556 -3.819 -3.159 265 HD1 TRP 37 HD1 TRP 37 76.741 -1.761 -3.919 266 HE1 TRP 37 HE1 TRP 37 77.567 -0.002 -2.243 267 HE3 TRP 37 HE3 TRP 37 72.781 -1.670 -0.684 268 HZ2 TRP 37 HZ2 TRP 37 76.690 1.284 0.144 269 HZ3 TRP 37 HZ3 TRP 37 72.814 -0.164 1.286 270 HH2 TRP 37 HH2 TRP 37 74.763 1.310 1.704 271 H LEU 38 HN LEU 38 75.738 -1.308 -6.241 272 HA LEU 38 HA LEU 38 77.621 -3.570 -6.485 273 HB2 LEU 38 HB2 LEU 38 76.475 -1.987 -8.790 274 HB3 LEU 38 HB1 LEU 38 77.934 -2.967 -8.919 275 HG LEU 38 HG LEU 38 75.188 -4.001 -8.116 276 HD11 LEU 38 HD11 LEU 38 76.765 -4.039 -10.703 277 HD12 LEU 38 HD12 LEU 38 75.127 -3.428 -10.441 278 HD13 LEU 38 HD13 LEU 38 75.443 -5.166 -10.390 279 HD21 LEU 38 HD21 LEU 38 76.676 -5.558 -7.161 280 HD22 LEU 38 HD22 LEU 38 77.918 -5.274 -8.384 281 HD23 LEU 38 HD23 LEU 38 76.486 -6.228 -8.780 282 H LEU 39 HN LEU 39 79.411 -2.798 -5.578 283 HA LEU 39 HA LEU 39 80.237 -0.002 -6.078 284 HB2 LEU 39 HB2 LEU 39 82.213 -1.143 -4.456 285 HB3 LEU 39 HB1 LEU 39 80.861 -0.199 -3.873 286 HG LEU 39 HG LEU 39 79.549 -2.401 -3.791 287 HD11 LEU 39 HD11 LEU 39 82.382 -3.451 -4.059 288 HD12 LEU 39 HD12 LEU 39 81.026 -3.790 -5.138 289 HD13 LEU 39 HD13 LEU 39 81.021 -4.412 -3.492 290 HD21 LEU 39 HD21 LEU 39 80.391 -1.207 -1.806 291 HD22 LEU 39 HD22 LEU 39 81.940 -2.035 -1.969 292 HD23 LEU 39 HD23 LEU 39 80.483 -2.949 -1.592 293 H ASP 40 HN ASP 40 82.685 -2.376 -5.554 294 HA ASP 40 HA ASP 40 83.742 -2.025 -8.169 295 HB2 ASP 40 HB2 ASP 40 85.131 -2.739 -6.193 296 HB3 ASP 40 HB1 ASP 40 84.277 -4.284 -6.206 297 H ASP 41 HN ASP 41 83.868 -4.035 -9.640 298 HA ASP 41 HA ASP 41 81.248 -4.771 -10.293 299 HB2 ASP 41 HB2 ASP 41 83.092 -4.630 -11.926 300 HB3 ASP 41 HB1 ASP 41 83.797 -6.093 -11.227 301 H GLU 42 HN GLU 42 81.869 -5.612 -7.532 302 HA GLU 42 HA GLU 42 81.276 -8.503 -7.842 303 HB2 GLU 42 HB2 GLU 42 82.931 -7.113 -5.742 304 HB3 GLU 42 HB1 GLU 42 82.284 -8.734 -5.504 305 HG2 GLU 42 HG2 GLU 42 83.496 -9.561 -7.434 306 HG3 GLU 42 HG1 GLU 42 84.013 -7.933 -7.859 307 HA PRO 43 HA PRO 43 77.441 -7.319 -5.785 308 HB2 PRO 43 HB2 PRO 43 77.109 -9.928 -4.556 309 HB3 PRO 43 HB1 PRO 43 76.251 -9.265 -5.956 310 HG2 PRO 43 HG2 PRO 43 78.310 -11.266 -5.911 311 HG3 PRO 43 HG1 PRO 43 77.398 -10.664 -7.294 312 HD2 PRO 43 HD2 PRO 43 80.151 -10.174 -6.710 313 HD3 PRO 43 HD1 PRO 43 79.187 -9.457 -8.017 314 H VAL 44 HN VAL 44 76.984 -6.499 -3.721 315 HA VAL 44 HA VAL 44 79.156 -6.713 -1.823 316 HB VAL 44 HB VAL 44 76.585 -5.235 -1.303 317 HG11 VAL 44 HG11 VAL 44 78.176 -3.690 -0.181 318 HG12 VAL 44 HG12 VAL 44 79.509 -4.756 -0.651 319 HG13 VAL 44 HG13 VAL 44 78.287 -5.332 0.467 320 HG21 VAL 44 HG21 VAL 44 77.914 -3.292 -2.459 321 HG22 VAL 44 HG22 VAL 44 76.988 -4.408 -3.457 322 HG23 VAL 44 HG23 VAL 44 78.731 -4.599 -3.317 323 H ARG 45 HN ARG 45 79.032 -8.833 -1.104 324 HA ARG 45 HA ARG 45 77.207 -9.212 1.138 325 HB2 ARG 45 HB2 ARG 45 77.479 -11.223 -1.124 326 HB3 ARG 45 HB1 ARG 45 76.843 -11.626 0.467 327 HG2 ARG 45 HG2 ARG 45 75.645 -9.395 -1.185 328 HG3 ARG 45 HG1 ARG 45 75.138 -11.065 -1.396 329 HD2 ARG 45 HD2 ARG 45 74.930 -9.411 1.140 330 HD3 ARG 45 HD1 ARG 45 73.614 -10.024 0.155 331 HE ARG 45 HE ARG 45 74.914 -12.295 0.835 332 HH11 ARG 45 HH11 ARG 45 75.240 -9.873 3.081 333 HH12 ARG 45 HH12 ARG 45 74.367 -10.657 4.352 334 HH21 ARG 45 HH21 ARG 45 73.166 -13.203 2.312 335 HH22 ARG 45 HH22 ARG 45 73.167 -12.537 3.913 336 H THR 46 HN THR 46 79.087 -11.647 -0.427 337 HA THR 46 HA THR 46 80.974 -12.809 0.127 338 HB THR 46 HB THR 46 82.899 -11.547 0.382 339 HG1 THR 46 HG1 THR 46 81.367 -9.825 2.026 340 HG21 THR 46 HG21 THR 46 81.174 -10.559 -1.344 341 HG22 THR 46 HG22 THR 46 82.664 -9.680 -0.979 342 HG23 THR 46 HG23 THR 46 81.148 -9.194 -0.225 343 H SER 47 HN SER 47 82.429 -11.584 2.764 344 HA SER 47 HA SER 47 80.748 -13.093 4.700 345 HB2 SER 47 HB2 SER 47 82.806 -14.351 3.904 346 HB3 SER 47 HB1 SER 47 83.771 -13.098 4.668 347 HG SER 47 HG SER 47 81.789 -14.679 5.969 348 H GLU 48 HN GLU 48 82.768 -12.598 6.800 349 HA GLU 48 HA GLU 48 81.711 -10.216 7.852 350 HB2 GLU 48 HB2 GLU 48 83.537 -10.472 9.555 351 HB3 GLU 48 HB1 GLU 48 82.544 -11.912 9.316 352 HG2 GLU 48 HG2 GLU 48 84.243 -12.877 7.835 353 HG3 GLU 48 HG1 GLU 48 85.233 -11.430 8.003 354 H ASN 49 HN ASN 49 84.733 -10.812 6.117 355 HA ASN 49 HA ASN 49 86.002 -8.332 6.574 356 HB2 ASN 49 HB2 ASN 49 86.154 -10.098 4.120 357 HB3 ASN 49 HB1 ASN 49 87.333 -8.876 4.590 358 HD21 ASN 49 HD21 ASN 49 88.385 -9.301 6.860 359 HD22 ASN 49 HD22 ASN 49 88.655 -10.926 7.285 360 H ALA 50 HN ALA 50 83.114 -8.937 5.029 361 HA ALA 50 HA ALA 50 82.693 -6.301 4.142 362 HB1 ALA 50 HB1 ALA 50 83.513 -8.283 2.007 363 HB2 ALA 50 HB2 ALA 50 84.215 -6.703 2.335 364 HB3 ALA 50 HB3 ALA 50 82.595 -6.826 1.648 365 H GLU 51 HN GLU 51 80.495 -6.041 4.087 366 HA GLU 51 HA GLU 51 78.632 -7.749 2.924 367 HB2 GLU 51 HB2 GLU 51 79.184 -9.406 4.678 368 HB3 GLU 51 HB1 GLU 51 78.844 -8.207 5.920 369 HG2 GLU 51 HG2 GLU 51 76.514 -8.086 5.243 370 HG3 GLU 51 HG1 GLU 51 76.820 -9.115 3.851 371 H VAL 52 HN VAL 52 76.477 -6.876 3.065 372 HA VAL 52 HA VAL 52 76.396 -4.194 4.199 373 HB VAL 52 HB VAL 52 74.197 -5.565 2.649 374 HG11 VAL 52 HG11 VAL 52 75.115 -2.698 2.953 375 HG12 VAL 52 HG12 VAL 52 73.631 -3.414 3.584 376 HG13 VAL 52 HG13 VAL 52 73.849 -3.221 1.849 377 HG21 VAL 52 HG21 VAL 52 76.308 -5.891 1.408 378 HG22 VAL 52 HG22 VAL 52 76.591 -4.152 1.461 379 HG23 VAL 52 HG23 VAL 52 75.215 -4.792 0.574 380 H VAL 53 HN VAL 53 74.969 -3.568 5.735 381 HA VAL 53 HA VAL 53 73.071 -5.500 6.894 382 HB VAL 53 HB VAL 53 73.820 -4.772 9.204 383 HG11 VAL 53 HG11 VAL 53 74.462 -6.975 8.126 384 HG12 VAL 53 HG12 VAL 53 75.593 -6.402 9.353 385 HG13 VAL 53 HG13 VAL 53 75.981 -6.217 7.644 386 HG21 VAL 53 HG21 VAL 53 75.951 -3.712 9.484 387 HG22 VAL 53 HG22 VAL 53 75.106 -2.775 8.252 388 HG23 VAL 53 HG23 VAL 53 76.353 -3.923 7.782 389 H PHE 54 HN PHE 54 71.280 -4.444 7.900 390 HA PHE 54 HA PHE 54 71.288 -1.493 7.850 391 HB2 PHE 54 HB2 PHE 54 69.067 -1.441 6.799 392 HB3 PHE 54 HB1 PHE 54 70.278 -2.125 5.728 393 HD1 PHE 54 HD2 PHE 54 70.343 -4.570 5.312 394 HD2 PHE 54 HD1 PHE 54 67.220 -2.756 7.636 395 HE1 PHE 54 HE2 PHE 54 68.959 -6.605 5.039 396 HE2 PHE 54 HE1 PHE 54 65.830 -4.794 7.353 397 HZ PHE 54 HZ PHE 54 66.699 -6.714 6.051 398 H PHE 55 HN PHE 55 68.827 -0.870 8.689 399 HA PHE 55 HA PHE 55 68.011 -2.563 10.898 400 HB2 PHE 55 HB2 PHE 55 69.367 0.095 11.376 401 HB3 PHE 55 HB1 PHE 55 68.446 -0.780 12.595 402 HD1 PHE 55 HD2 PHE 55 69.095 -3.277 12.958 403 HD2 PHE 55 HD1 PHE 55 71.667 -0.361 11.130 404 HE1 PHE 55 HE2 PHE 55 71.062 -4.687 13.479 405 HE2 PHE 55 HE1 PHE 55 73.639 -1.772 11.655 406 HZ PHE 55 HZ PHE 55 73.336 -3.936 12.830 407 H GLU 56 HN GLU 56 66.232 -1.514 12.170 408 HA GLU 56 HA GLU 56 64.132 -0.600 12.195 409 HB2 GLU 56 HB2 GLU 56 65.664 1.612 10.829 410 HB3 GLU 56 HB1 GLU 56 64.004 1.780 11.403 411 HG2 GLU 56 HG2 GLU 56 66.339 0.942 13.149 412 HG3 GLU 56 HG1 GLU 56 65.742 2.594 13.039 413 H ASN 57 HN ASN 57 64.715 -2.384 10.068 414 HA ASN 57 HA ASN 57 63.652 -3.234 8.228 415 HB2 ASN 57 HB2 ASN 57 61.665 -2.208 9.543 416 HB3 ASN 57 HB1 ASN 57 61.707 -0.945 8.326 417 HD21 ASN 57 HD21 ASN 57 62.800 -3.391 6.528 418 HD22 ASN 57 HD22 ASN 57 61.341 -4.067 5.983 419 H GLY 58 HN GLY 58 65.847 -1.428 7.748 420 HA2 GLY 58 HA2 GLY 58 66.791 -0.794 5.696 421 HA3 GLY 58 HA1 GLY 58 65.190 -0.743 4.982 422 H LEU 59 HN LEU 59 64.886 1.008 7.775 423 HA LEU 59 HA LEU 59 64.677 3.475 6.417 424 HB2 LEU 59 HB2 LEU 59 63.687 2.768 8.723 425 HB3 LEU 59 HB1 LEU 59 65.225 3.316 9.370 426 HG LEU 59 HG LEU 59 64.857 5.521 8.203 427 HD11 LEU 59 HD11 LEU 59 62.335 4.118 7.404 428 HD12 LEU 59 HD12 LEU 59 63.274 5.337 6.541 429 HD13 LEU 59 HD13 LEU 59 62.195 5.823 7.850 430 HD21 LEU 59 HD21 LEU 59 62.812 4.632 10.265 431 HD22 LEU 59 HD22 LEU 59 63.178 6.313 9.881 432 HD23 LEU 59 HD23 LEU 59 64.420 5.280 10.595 433 H ARG 60 HN ARG 60 67.395 1.796 7.685 434 HA ARG 60 HA ARG 60 69.168 4.012 6.894 435 HB2 ARG 60 HB2 ARG 60 69.375 2.544 9.543 436 HB3 ARG 60 HB1 ARG 60 70.631 3.584 8.876 437 HG2 ARG 60 HG2 ARG 60 69.091 5.496 8.888 438 HG3 ARG 60 HG1 ARG 60 67.797 4.464 9.500 439 HD2 ARG 60 HD2 ARG 60 68.798 5.688 11.360 440 HD3 ARG 60 HD1 ARG 60 69.182 3.974 11.513 441 HE ARG 60 HE ARG 60 71.238 5.289 10.072 442 HH11 ARG 60 HH21 ARG 60 69.812 5.556 13.208 443 HH12 ARG 60 HH22 ARG 60 71.330 5.641 14.037 444 HH21 ARG 60 HH11 ARG 60 73.233 5.237 11.181 445 HH22 ARG 60 HH12 ARG 60 73.258 5.479 12.892 446 H HIS 61 HN HIS 61 71.243 3.313 6.182 447 HA HIS 61 HA HIS 61 71.620 0.387 5.924 448 HB2 HIS 61 HB2 HIS 61 71.567 2.416 3.689 449 HB3 HIS 61 HB1 HIS 61 72.519 0.933 3.544 450 HD1 HIS 61 HD1 HIS 61 68.979 2.168 3.784 451 HD2 HIS 61 HD2 HIS 61 70.999 -1.435 3.231 452 HE1 HIS 61 HE1 HIS 61 67.223 0.451 3.167 453 H LEU 62 HN LEU 62 73.465 -0.136 6.734 454 HA LEU 62 HA LEU 62 75.761 1.734 6.576 455 HB2 LEU 62 HB2 LEU 62 75.210 -0.347 8.722 456 HB3 LEU 62 HB1 LEU 62 76.571 0.762 8.663 457 HG LEU 62 HG LEU 62 74.892 2.666 8.699 458 HD11 LEU 62 HD11 LEU 62 72.711 1.515 10.004 459 HD12 LEU 62 HD12 LEU 62 73.024 0.381 8.698 460 HD13 LEU 62 HD13 LEU 62 72.733 2.078 8.343 461 HD21 LEU 62 HD21 LEU 62 76.080 2.239 10.712 462 HD22 LEU 62 HD22 LEU 62 75.219 0.723 10.995 463 HD23 LEU 62 HD23 LEU 62 74.383 2.265 11.200 464 H LEU 63 HN LEU 63 77.266 1.003 5.233 465 HA LEU 63 HA LEU 63 77.519 -1.931 4.793 466 HB2 LEU 63 HB2 LEU 63 76.977 -0.931 2.727 467 HB3 LEU 63 HB1 LEU 63 78.015 0.459 3.011 468 HG LEU 63 HG LEU 63 80.013 -0.887 2.713 469 HD11 LEU 63 HD11 LEU 63 78.067 -3.164 2.899 470 HD12 LEU 63 HD12 LEU 63 79.677 -3.011 3.588 471 HD13 LEU 63 HD13 LEU 63 79.488 -3.375 1.872 472 HD21 LEU 63 HD21 LEU 63 79.152 -0.067 0.642 473 HD22 LEU 63 HD22 LEU 63 77.869 -1.281 0.606 474 HD23 LEU 63 HD23 LEU 63 79.547 -1.759 0.342 475 H LEU 64 HN LEU 64 79.210 -2.831 5.834 476 HA LEU 64 HA LEU 64 81.549 -1.125 6.486 477 HB2 LEU 64 HB2 LEU 64 80.319 -3.562 7.761 478 HB3 LEU 64 HB1 LEU 64 82.003 -3.160 8.070 479 HG LEU 64 HG LEU 64 81.315 -0.899 8.826 480 HD11 LEU 64 HD11 LEU 64 79.338 -0.348 7.745 481 HD12 LEU 64 HD12 LEU 64 78.719 -0.791 9.335 482 HD13 LEU 64 HD13 LEU 64 78.616 -1.940 7.995 483 HD21 LEU 64 HD21 LEU 64 79.692 -3.011 10.277 484 HD22 LEU 64 HD22 LEU 64 80.480 -1.593 10.963 485 HD23 LEU 64 HD23 LEU 64 81.451 -2.935 10.370 486 H LEU 65 HN LEU 65 83.418 -1.462 5.542 487 HA LEU 65 HA LEU 65 84.051 -4.084 4.295 488 HB2 LEU 65 HB2 LEU 65 84.730 -1.336 3.174 489 HB3 LEU 65 HB1 LEU 65 85.147 -2.890 2.448 490 HG LEU 65 HG LEU 65 82.315 -1.908 2.936 491 HD11 LEU 65 HD11 LEU 65 83.620 -0.623 1.193 492 HD12 LEU 65 HD12 LEU 65 82.200 -1.456 0.565 493 HD13 LEU 65 HD13 LEU 65 83.807 -2.134 0.301 494 HD21 LEU 65 HD21 LEU 65 81.922 -3.833 1.191 495 HD22 LEU 65 HD22 LEU 65 82.165 -4.254 2.886 496 HD23 LEU 65 HD23 LEU 65 83.495 -4.418 1.740 497 H LYS 66 HN LYS 66 85.828 -4.895 5.451 498 HA LYS 66 HA LYS 66 87.526 -2.991 6.875 499 HB2 LYS 66 HB2 LYS 66 87.159 -5.996 6.996 500 HB3 LYS 66 HB1 LYS 66 88.315 -5.101 7.989 501 HG2 LYS 66 HG2 LYS 66 86.557 -3.811 9.015 502 HG3 LYS 66 HG1 LYS 66 85.361 -4.472 7.898 503 HD2 LYS 66 HD2 LYS 66 85.206 -5.585 10.082 504 HD3 LYS 66 HD1 LYS 66 85.716 -6.727 8.839 505 HE2 LYS 66 HE2 LYS 66 87.942 -6.750 9.611 506 HE3 LYS 66 HE1 LYS 66 87.748 -5.257 10.519 507 HZ1 LYS 66 HZ1 LYS 66 86.842 -6.330 12.251 508 HZ2 LYS 66 HZ2 LYS 66 87.577 -7.710 11.586 509 HZ3 LYS 66 HZ3 LYS 66 85.939 -7.383 11.276 510 H ASN 67 HN ASN 67 89.765 -4.492 7.182 511 HA ASN 67 HA ASN 67 91.887 -4.454 6.182 512 HB2 ASN 67 HB2 ASN 67 90.303 -6.466 4.575 513 HB3 ASN 67 HB1 ASN 67 92.057 -6.351 4.568 514 HD21 ASN 67 HD21 ASN 67 89.417 -7.816 6.181 515 HD22 ASN 67 HD22 ASN 67 90.261 -8.345 7.558 516 H LEU 68 HN LEU 68 90.554 -2.230 5.273 517 HA LEU 68 HA LEU 68 90.297 -2.028 2.470 518 HB2 LEU 68 HB2 LEU 68 90.995 0.129 4.471 519 HB3 LEU 68 HB1 LEU 68 90.355 0.391 2.854 520 HG LEU 68 HG LEU 68 88.943 -1.081 5.090 521 HD11 LEU 68 HD11 LEU 68 88.181 1.561 3.827 522 HD12 LEU 68 HD12 LEU 68 89.223 1.469 5.248 523 HD13 LEU 68 HD13 LEU 68 87.570 0.849 5.320 524 HD21 LEU 68 HD21 LEU 68 88.087 -2.044 3.124 525 HD22 LEU 68 HD22 LEU 68 88.273 -0.561 2.191 526 HD23 LEU 68 HD23 LEU 68 86.979 -0.705 3.376 527 H ARG 69 HN ARG 69 91.976 -2.588 1.156 528 HA ARG 69 HA ARG 69 94.666 -1.517 1.784 529 HB2 ARG 69 HB2 ARG 69 94.372 -3.348 -0.541 530 HB3 ARG 69 HB1 ARG 69 95.566 -3.362 0.756 531 HG2 ARG 69 HG2 ARG 69 93.813 -4.296 2.284 532 HG3 ARG 69 HG1 ARG 69 92.721 -4.405 0.904 533 HD2 ARG 69 HD2 ARG 69 94.514 -5.797 -0.250 534 HD3 ARG 69 HD1 ARG 69 95.351 -5.860 1.300 535 HE ARG 69 HE ARG 69 92.871 -6.707 1.962 536 HH11 ARG 69 HH21 ARG 69 95.424 -7.780 -0.073 537 HH12 ARG 69 HH22 ARG 69 94.710 -9.320 -0.404 538 HH21 ARG 69 HH11 ARG 69 91.754 -8.614 1.265 539 HH22 ARG 69 HH12 ARG 69 92.619 -9.786 0.333 540 HA PRO 70 HA PRO 70 94.523 1.306 -1.575 541 HB2 PRO 70 HB2 PRO 70 96.597 0.262 -3.332 542 HB3 PRO 70 HB1 PRO 70 96.689 1.646 -2.237 543 HG2 PRO 70 HG2 PRO 70 98.013 -0.784 -1.896 544 HG3 PRO 70 HG1 PRO 70 97.752 0.437 -0.647 545 HD2 PRO 70 HD2 PRO 70 96.371 -2.163 -1.040 546 HD3 PRO 70 HD1 PRO 70 96.564 -1.209 0.444 547 H GLN 71 HN GLN 71 94.753 -2.005 -2.673 548 HA GLN 71 HA GLN 71 93.715 -1.707 -5.255 549 HB2 GLN 71 HB2 GLN 71 94.691 -3.824 -4.446 550 HB3 GLN 71 HB1 GLN 71 93.293 -4.050 -3.397 551 HG2 GLN 71 HG2 GLN 71 91.794 -4.153 -5.338 552 HG3 GLN 71 HG1 GLN 71 93.145 -3.787 -6.422 553 HE21 GLN 71 HE21 GLN 71 91.666 -6.226 -6.763 554 HE22 GLN 71 HE22 GLN 71 92.679 -7.515 -6.352 555 H ASP 72 HN ASP 72 91.886 -2.667 -2.281 556 HA ASP 72 HA ASP 72 89.404 -2.752 -3.373 557 HB2 ASP 72 HB2 ASP 72 90.369 -1.941 -0.641 558 HB3 ASP 72 HB1 ASP 72 88.647 -1.875 -1.019 559 H SER 73 HN SER 73 91.103 0.319 -2.425 560 HA SER 73 HA SER 73 88.996 2.039 -2.496 561 HB2 SER 73 HB2 SER 73 90.552 3.732 -2.880 562 HB3 SER 73 HB1 SER 73 91.581 2.440 -2.263 563 HG SER 73 HG SER 73 91.708 1.855 -4.625 564 H CYS 74 HN CYS 74 87.434 2.423 -3.919 565 HA CYS 74 HA CYS 74 87.985 2.637 -6.752 566 HB2 CYS 74 HB2 CYS 74 87.724 0.140 -6.246 567 HB3 CYS 74 HB1 CYS 74 86.030 0.500 -5.923 568 HG CYS 74 HG CYS 74 87.124 1.437 -8.665 569 H ARG 75 HN ARG 75 85.031 1.802 -7.130 570 HA ARG 75 HA ARG 75 83.892 4.407 -6.323 571 HB2 ARG 75 HB2 ARG 75 84.082 4.071 -8.739 572 HB3 ARG 75 HB1 ARG 75 83.144 2.580 -8.615 573 HG2 ARG 75 HG2 ARG 75 81.218 3.860 -7.738 574 HG3 ARG 75 HG1 ARG 75 82.155 5.345 -7.843 575 HD2 ARG 75 HD2 ARG 75 82.417 4.908 -10.299 576 HD3 ARG 75 HD1 ARG 75 81.322 3.550 -10.122 577 HE ARG 75 HE ARG 75 80.084 5.843 -9.056 578 HH11 ARG 75 HH21 ARG 75 81.493 4.968 -12.064 579 HH12 ARG 75 HH22 ARG 75 80.192 5.583 -13.026 580 HH21 ARG 75 HH11 ARG 75 78.262 6.499 -10.292 581 HH22 ARG 75 HH12 ARG 75 78.337 6.411 -12.020 582 H VAL 76 HN VAL 76 82.090 4.533 -5.197 583 HA VAL 76 HA VAL 76 80.727 2.034 -4.390 584 HB VAL 76 HB VAL 76 80.585 4.739 -3.047 585 HG11 VAL 76 HG11 VAL 76 79.967 1.949 -2.042 586 HG12 VAL 76 HG12 VAL 76 78.756 3.106 -2.610 587 HG13 VAL 76 HG13 VAL 76 79.712 3.463 -1.168 588 HG21 VAL 76 HG21 VAL 76 82.423 2.388 -2.462 589 HG22 VAL 76 HG22 VAL 76 82.182 3.756 -1.379 590 HG23 VAL 76 HG23 VAL 76 82.914 4.005 -2.965 591 H THR 77 HN THR 77 78.993 1.703 -5.715 592 HA THR 77 HA THR 77 77.228 4.020 -6.292 593 HB THR 77 HB THR 77 77.915 1.705 -8.123 594 HG1 THR 77 HG1 THR 77 79.205 3.080 -9.038 595 HG21 THR 77 HG21 THR 77 75.686 2.171 -8.664 596 HG22 THR 77 HG22 THR 77 76.568 3.266 -9.735 597 HG23 THR 77 HG23 THR 77 75.838 3.880 -8.252 598 H PHE 78 HN PHE 78 75.205 3.816 -5.679 599 HA PHE 78 HA PHE 78 74.022 1.139 -5.256 600 HB2 PHE 78 HB2 PHE 78 74.692 1.944 -3.055 601 HB3 PHE 78 HB1 PHE 78 73.908 3.494 -3.352 602 HD1 PHE 78 HD2 PHE 78 73.121 -0.174 -3.404 603 HD2 PHE 78 HD1 PHE 78 71.724 3.792 -2.569 604 HE1 PHE 78 HE2 PHE 78 70.997 -1.114 -2.551 605 HE2 PHE 78 HE1 PHE 78 69.601 2.856 -1.707 606 HZ PHE 78 HZ PHE 78 69.244 0.401 -1.688 607 H LEU 79 HN LEU 79 72.192 0.981 -6.452 608 HA LEU 79 HA LEU 79 70.682 3.472 -7.003 609 HB2 LEU 79 HB2 LEU 79 71.592 2.920 -9.070 610 HB3 LEU 79 HB1 LEU 79 71.480 1.205 -8.786 611 HG LEU 79 HG LEU 79 69.869 2.385 -10.509 612 HD11 LEU 79 HD11 LEU 79 68.081 0.647 -9.010 613 HD12 LEU 79 HD12 LEU 79 69.693 -0.052 -9.140 614 HD13 LEU 79 HD13 LEU 79 68.823 0.429 -10.589 615 HD21 LEU 79 HD21 LEU 79 67.856 2.616 -8.338 616 HD22 LEU 79 HD22 LEU 79 68.066 3.550 -9.810 617 HD23 LEU 79 HD23 LEU 79 69.057 3.903 -8.418 618 H ALA 80 HN ALA 80 69.095 3.383 -5.563 619 HA ALA 80 HA ALA 80 67.374 0.978 -5.434 620 HB1 ALA 80 HB1 ALA 80 67.888 3.273 -3.542 621 HB2 ALA 80 HB2 ALA 80 68.025 1.544 -3.243 622 HB3 ALA 80 HB3 ALA 80 66.435 2.280 -3.401 623 H GLY 81 HN GLY 81 66.128 1.331 -7.272 624 HA2 GLY 81 HA2 GLY 81 64.430 2.230 -8.557 625 HA3 GLY 81 HA1 GLY 81 63.895 3.033 -7.087 626 H ASP 82 HN ASP 82 63.318 4.843 -8.509 627 HA ASP 82 HA ASP 82 64.994 6.248 -10.177 628 HB2 ASP 82 HB2 ASP 82 62.531 6.628 -9.747 629 HB3 ASP 82 HB1 ASP 82 63.008 7.552 -8.323 630 H MET 83 HN MET 83 66.023 5.607 -7.186 631 HA MET 83 HA MET 83 67.239 8.286 -6.746 632 HB2 MET 83 HB2 MET 83 66.871 6.086 -4.712 633 HB3 MET 83 HB1 MET 83 67.361 7.750 -4.424 634 HG2 MET 83 HG2 MET 83 65.169 8.312 -4.145 635 HG3 MET 83 HG1 MET 83 64.863 7.877 -5.818 636 HE1 MET 83 HE1 MET 83 64.283 6.410 -1.940 637 HE2 MET 83 HE2 MET 83 65.915 6.423 -2.601 638 HE3 MET 83 HE3 MET 83 65.064 4.894 -2.406 639 H VAL 84 HN VAL 84 69.341 8.381 -7.247 640 HA VAL 84 HA VAL 84 71.007 5.943 -6.884 641 HB VAL 84 HB VAL 84 72.353 6.648 -8.778 642 HG11 VAL 84 HG11 VAL 84 70.430 6.577 -10.566 643 HG12 VAL 84 HG12 VAL 84 69.382 6.333 -9.171 644 HG13 VAL 84 HG13 VAL 84 70.681 5.186 -9.508 645 HG21 VAL 84 HG21 VAL 84 72.236 9.018 -8.757 646 HG22 VAL 84 HG22 VAL 84 70.470 9.019 -8.787 647 HG23 VAL 84 HG23 VAL 84 71.377 8.554 -10.224 648 H THR 85 HN THR 85 72.674 6.165 -5.571 649 HA THR 85 HA THR 85 73.740 8.864 -4.964 650 HB THR 85 HB THR 85 73.670 8.477 -2.668 651 HG1 THR 85 HG1 THR 85 73.363 5.819 -2.497 652 HG21 THR 85 HG21 THR 85 71.558 6.491 -3.562 653 HG22 THR 85 HG22 THR 85 71.329 8.239 -3.553 654 HG23 THR 85 HG23 THR 85 71.601 7.373 -2.038 655 H SER 86 HN SER 86 75.926 8.992 -5.239 656 HA SER 86 HA SER 86 77.556 6.551 -5.093 657 HB2 SER 86 HB2 SER 86 78.655 7.194 -7.284 658 HB3 SER 86 HB1 SER 86 77.018 6.545 -7.421 659 HG SER 86 HG SER 86 77.040 9.227 -7.007 660 H ALA 87 HN ALA 87 79.596 6.913 -4.395 661 HA ALA 87 HA ALA 87 80.667 9.650 -4.359 662 HB1 ALA 87 HB1 ALA 87 80.457 7.965 -1.853 663 HB2 ALA 87 HB2 ALA 87 79.362 9.297 -2.241 664 HB3 ALA 87 HB3 ALA 87 81.075 9.614 -1.982 665 H PHE 88 HN PHE 88 82.912 9.735 -3.852 666 HA PHE 88 HA PHE 88 84.397 7.555 -4.980 667 HB2 PHE 88 HB2 PHE 88 85.228 10.176 -3.738 668 HB3 PHE 88 HB1 PHE 88 86.336 9.057 -4.535 669 HD1 PHE 88 HD1 PHE 88 85.929 8.439 -6.961 670 HD2 PHE 88 HD2 PHE 88 83.857 11.643 -4.988 671 HE1 PHE 88 HE1 PHE 88 85.299 9.390 -9.160 672 HE2 PHE 88 HE2 PHE 88 83.230 12.593 -7.186 673 HZ PHE 88 HZ PHE 88 83.951 11.464 -9.273 674 H LEU 89 HN LEU 89 86.256 6.635 -4.037 675 HA LEU 89 HA LEU 89 86.259 6.388 -1.097 676 HB2 LEU 89 HB2 LEU 89 85.155 4.403 -2.065 677 HB3 LEU 89 HB1 LEU 89 86.535 4.150 -3.130 678 HG LEU 89 HG LEU 89 87.992 3.783 -1.196 679 HD11 LEU 89 HD11 LEU 89 86.636 3.477 1.058 680 HD12 LEU 89 HD12 LEU 89 85.515 4.610 0.302 681 HD13 LEU 89 HD13 LEU 89 87.193 5.077 0.576 682 HD21 LEU 89 HD21 LEU 89 85.485 2.138 -0.818 683 HD22 LEU 89 HD22 LEU 89 87.159 1.625 -0.614 684 HD23 LEU 89 HD23 LEU 89 86.528 1.943 -2.227 685 H THR 90 HN THR 90 88.305 6.365 -0.211 686 HA THR 90 HA THR 90 90.632 6.187 -2.015 687 HB THR 90 HB THR 90 91.608 8.214 -0.968 688 HG1 THR 90 HG1 THR 90 89.526 9.426 -0.055 689 HG21 THR 90 HG21 THR 90 90.281 9.827 -2.203 690 HG22 THR 90 HG22 THR 90 88.880 8.749 -2.183 691 HG23 THR 90 HG23 THR 90 90.312 8.321 -3.121 692 H VAL 91 HN VAL 91 92.181 4.960 -1.157 693 HA VAL 91 HA VAL 91 92.411 4.785 1.786 694 HB VAL 91 HB VAL 91 92.470 2.382 -0.063 695 HG11 VAL 91 HG11 VAL 91 92.450 1.137 2.095 696 HG12 VAL 91 HG12 VAL 91 92.580 2.675 2.955 697 HG13 VAL 91 HG13 VAL 91 93.894 2.135 1.914 698 HG21 VAL 91 HG21 VAL 91 90.341 1.760 0.986 699 HG22 VAL 91 HG22 VAL 91 90.182 3.326 0.188 700 HG23 VAL 91 HG23 VAL 91 90.359 3.242 1.943 701 H ARG 92 HN ARG 92 94.448 5.262 2.354 702 HA ARG 92 HA ARG 92 96.570 5.150 0.345 703 HB2 ARG 92 HB2 ARG 92 96.253 7.167 1.811 704 HB3 ARG 92 HB1 ARG 92 96.701 6.163 3.188 705 HG2 ARG 92 HG2 ARG 92 98.869 5.639 2.040 706 HG3 ARG 92 HG1 ARG 92 98.418 6.762 0.759 707 HD2 ARG 92 HD2 ARG 92 98.657 7.512 3.685 708 HD3 ARG 92 HD1 ARG 92 99.921 7.771 2.490 709 HE ARG 92 HE ARG 92 97.454 9.283 2.757 710 HH11 ARG 92 HH21 ARG 92 100.455 10.027 1.995 711 HH12 ARG 92 HH22 ARG 92 100.180 10.695 0.421 712 HH21 ARG 92 HH11 ARG 92 96.948 9.474 0.165 713 HH22 ARG 92 HH12 ARG 92 98.195 10.399 -0.604 714 H GLY 93 HN GLY 93 98.068 3.610 0.255 715 HA2 GLY 93 HA2 GLY 93 98.987 2.221 2.601 716 HA3 GLY 93 HA1 GLY 93 98.035 1.194 1.537 717 H GLY 94 HN GLY 94 99.729 3.692 -0.047 718 HA2 GLY 94 HA2 GLY 94 101.445 1.784 -1.383 719 HA3 GLY 94 HA1 GLY 94 101.329 3.507 -1.728 720 H LEU 95 HN LEU 95 102.234 1.605 1.169 721 HA LEU 95 HA LEU 95 104.670 3.273 1.442 722 HB2 LEU 95 HB2 LEU 95 103.155 3.335 3.385 723 HB3 LEU 95 HB1 LEU 95 103.165 1.576 3.468 724 HG LEU 95 HG LEU 95 105.577 1.591 3.959 725 HD11 LEU 95 HD11 LEU 95 106.533 3.948 4.547 726 HD12 LEU 95 HD12 LEU 95 105.246 4.557 3.517 727 HD13 LEU 95 HD13 LEU 95 106.472 3.475 2.854 728 HD21 LEU 95 HD21 LEU 95 105.460 2.680 6.184 729 HD22 LEU 95 HD22 LEU 95 104.004 1.751 5.842 730 HD23 LEU 95 HD23 LEU 95 103.982 3.506 5.691 731 H GLU 96 HN GLU 96 103.364 -0.003 1.411 732 HA GLU 96 HA GLU 96 106.036 -1.205 1.473 733 HB2 GLU 96 HB2 GLU 96 104.877 -3.318 1.634 734 HB3 GLU 96 HB1 GLU 96 104.143 -2.194 2.778 735 HG2 GLU 96 HG2 GLU 96 102.407 -1.673 1.006 736 HG3 GLU 96 HG1 GLU 96 103.076 -3.002 0.057 737 H HIS 97 HN HIS 97 106.910 -2.360 -0.243 738 HA HIS 97 HA HIS 97 105.883 -1.594 -2.873 739 HB2 HIS 97 HB2 HIS 97 108.419 -1.709 -1.959 740 HB3 HIS 97 HB1 HIS 97 108.304 -3.348 -2.589 741 HD1 HIS 97 HD1 HIS 97 108.467 -3.612 -5.125 742 HD2 HIS 97 HD2 HIS 97 107.886 0.348 -3.960 743 HE1 HIS 97 HE1 HIS 97 108.758 -2.193 -7.211 744 H HIS 98 HN HIS 98 104.149 -2.864 -3.443 745 HA HIS 98 HA HIS 98 104.384 -5.794 -3.077 746 HB2 HIS 98 HB2 HIS 98 101.992 -5.883 -3.443 747 HB3 HIS 98 HB1 HIS 98 102.342 -4.671 -2.214 748 HD1 HIS 98 HD1 HIS 98 100.568 -5.109 -5.341 749 HD2 HIS 98 HD2 HIS 98 102.442 -1.921 -3.421 750 HE1 HIS 98 HE1 HIS 98 99.628 -2.997 -6.378 751 H HIS 99 HN HIS 99 106.072 -4.913 -4.967 752 HA HIS 99 HA HIS 99 104.759 -5.540 -7.561 753 HB2 HIS 99 HB2 HIS 99 107.232 -3.929 -6.962 754 HB3 HIS 99 HB1 HIS 99 106.667 -4.319 -8.580 755 HD1 HIS 99 HD1 HIS 99 104.269 -3.331 -9.246 756 HD2 HIS 99 HD2 HIS 99 105.911 -1.810 -5.734 757 HE1 HIS 99 HE1 HIS 99 102.987 -1.211 -8.719 758 H HIS 100 HN HIS 100 106.177 -7.219 -5.316 759 HA HIS 100 HA HIS 100 108.483 -8.324 -6.638 760 HB2 HIS 100 HB2 HIS 100 106.825 -9.186 -4.260 761 HB3 HIS 100 HB1 HIS 100 108.228 -10.091 -4.830 762 HD1 HIS 100 HD1 HIS 100 110.342 -9.437 -3.694 763 HD2 HIS 100 HD2 HIS 100 107.664 -6.245 -3.853 764 HE1 HIS 100 HE1 HIS 100 111.454 -7.509 -2.487 765 H HIS 101 HN HIS 101 105.122 -9.406 -6.093 766 HA HIS 101 HA HIS 101 105.350 -11.185 -8.444 767 HB2 HIS 101 HB2 HIS 101 104.284 -11.983 -5.722 768 HB3 HIS 101 HB1 HIS 101 104.093 -12.942 -7.187 769 HD1 HIS 101 HD1 HIS 101 106.799 -11.602 -4.882 770 HD2 HIS 101 HD2 HIS 101 106.358 -14.441 -7.905 771 HE1 HIS 101 HE1 HIS 101 108.998 -12.854 -5.018 772 H HIS 102 HN HIS 102 103.301 -11.767 -9.386 773 HA HIS 102 HA HIS 102 101.515 -9.603 -9.622 774 HB2 HIS 102 HB2 HIS 102 101.193 -12.519 -10.370 775 HB3 HIS 102 HB1 HIS 102 100.042 -11.262 -10.811 776 HD1 HIS 102 HD1 HIS 102 101.170 -9.183 -12.218 777 HD2 HIS 102 HD2 HIS 102 103.269 -12.782 -12.168 778 HE1 HIS 102 HE1 HIS 102 102.813 -9.079 -14.141 Start of MODEL 9 1 H1 THR 1 HT1 THR 1 54.459 -1.501 -0.643 2 H2 THR 1 HT2 THR 1 54.825 -0.619 0.762 3 H3 THR 1 HT3 THR 1 55.809 -1.920 0.291 4 HA THR 1 HA THR 1 56.651 0.421 -0.192 5 HB THR 1 HB THR 1 57.901 -0.464 -1.956 6 HG1 THR 1 HG1 THR 1 56.351 -0.560 -3.512 7 HG21 THR 1 HG21 THR 1 58.198 -2.811 -1.545 8 HG22 THR 1 HG22 THR 1 56.532 -2.984 -0.991 9 HG23 THR 1 HG23 THR 1 57.699 -2.095 -0.012 10 H ALA 2 HN ALA 2 56.212 2.309 -1.263 11 HA ALA 2 HA ALA 2 54.547 2.534 -3.553 12 HB1 ALA 2 HB1 ALA 2 53.244 3.493 -0.994 13 HB2 ALA 2 HB2 ALA 2 52.815 1.979 -1.788 14 HB3 ALA 2 HB3 ALA 2 52.561 3.513 -2.616 15 H LYS 3 HN LYS 3 56.809 3.697 -1.457 16 HA LYS 3 HA LYS 3 56.957 6.226 -2.802 17 HB2 LYS 3 HB2 LYS 3 55.238 6.606 -1.033 18 HB3 LYS 3 HB1 LYS 3 56.460 6.167 0.170 19 HG2 LYS 3 HG2 LYS 3 57.886 7.989 -0.526 20 HG3 LYS 3 HG1 LYS 3 56.810 8.374 -1.868 21 HD2 LYS 3 HD2 LYS 3 56.332 9.927 -0.098 22 HD3 LYS 3 HD1 LYS 3 54.993 8.785 -0.187 23 HE2 LYS 3 HE2 LYS 3 55.703 7.630 1.758 24 HE3 LYS 3 HE1 LYS 3 57.309 8.358 1.702 25 HZ1 LYS 3 HZ1 LYS 3 54.802 9.880 2.134 26 HZ2 LYS 3 HZ2 LYS 3 56.392 10.465 2.263 27 HZ3 LYS 3 HZ3 LYS 3 55.807 9.336 3.388 28 H ASN 4 HN ASN 4 59.109 6.613 -3.057 29 HA ASN 4 HA ASN 4 60.971 5.784 -0.906 30 HB2 ASN 4 HB2 ASN 4 62.611 5.268 -2.744 31 HB3 ASN 4 HB1 ASN 4 61.248 4.154 -2.634 32 HD21 ASN 4 HD21 ASN 4 62.084 3.900 -5.066 33 HD22 ASN 4 HD22 ASN 4 61.307 4.898 -6.198 34 H THR 5 HN THR 5 62.246 7.485 -0.194 35 HA THR 5 HA THR 5 62.917 9.604 -2.125 36 HB THR 5 HB THR 5 61.522 10.253 0.475 37 HG1 THR 5 HG1 THR 5 59.867 10.922 -0.973 38 HG21 THR 5 HG21 THR 5 63.123 11.953 -0.178 39 HG22 THR 5 HG22 THR 5 61.504 12.543 -0.560 40 HG23 THR 5 HG23 THR 5 62.541 11.914 -1.842 41 H VAL 6 HN VAL 6 64.993 9.546 -2.000 42 HA VAL 6 HA VAL 6 66.444 8.794 0.307 43 HB VAL 6 HB VAL 6 67.217 8.589 -2.086 44 HG11 VAL 6 HG11 VAL 6 66.694 11.043 -2.594 45 HG12 VAL 6 HG12 VAL 6 68.254 10.450 -3.165 46 HG13 VAL 6 HG13 VAL 6 68.166 11.435 -1.704 47 HG21 VAL 6 HG21 VAL 6 69.612 9.100 -1.445 48 HG22 VAL 6 HG22 VAL 6 68.733 8.095 -0.293 49 HG23 VAL 6 HG23 VAL 6 68.985 9.808 0.043 50 H VAL 7 HN VAL 7 67.173 9.849 1.946 51 HA VAL 7 HA VAL 7 66.684 12.724 2.182 52 HB VAL 7 HB VAL 7 67.663 10.718 4.225 53 HG11 VAL 7 HG11 VAL 7 68.179 12.939 4.942 54 HG12 VAL 7 HG12 VAL 7 66.706 12.483 5.796 55 HG13 VAL 7 HG13 VAL 7 66.617 13.551 4.396 56 HG21 VAL 7 HG21 VAL 7 65.334 10.598 4.971 57 HG22 VAL 7 HG22 VAL 7 65.429 10.138 3.270 58 HG23 VAL 7 HG23 VAL 7 64.849 11.742 3.722 59 H ARG 8 HN ARG 8 69.272 10.337 2.378 60 HA ARG 8 HA ARG 8 71.277 12.401 1.784 61 HB2 ARG 8 HB2 ARG 8 71.549 12.331 4.121 62 HB3 ARG 8 HB1 ARG 8 71.245 10.600 4.195 63 HG2 ARG 8 HG2 ARG 8 73.380 10.071 3.274 64 HG3 ARG 8 HG1 ARG 8 73.661 11.731 2.749 65 HD2 ARG 8 HD2 ARG 8 73.674 12.430 5.152 66 HD3 ARG 8 HD1 ARG 8 73.478 10.744 5.622 67 HE ARG 8 HE ARG 8 75.739 11.074 3.909 68 HH11 ARG 8 HH11 ARG 8 75.057 12.742 6.730 69 HH12 ARG 8 HH12 ARG 8 76.409 12.149 7.634 70 HH21 ARG 8 HH21 ARG 8 77.251 9.734 5.293 71 HH22 ARG 8 HH22 ARG 8 77.653 10.444 6.821 72 H GLY 9 HN GLY 9 72.704 11.746 0.331 73 HA2 GLY 9 HA2 GLY 9 72.696 8.961 -0.548 74 HA3 GLY 9 HA1 GLY 9 73.343 10.350 -1.428 75 H LEU 10 HN LEU 10 75.107 8.439 -1.463 76 HA LEU 10 HA LEU 10 76.698 8.170 0.890 77 HB2 LEU 10 HB2 LEU 10 77.494 7.689 -1.983 78 HB3 LEU 10 HB1 LEU 10 78.320 7.074 -0.550 79 HG LEU 10 HG LEU 10 75.458 6.478 -1.313 80 HD11 LEU 10 HD11 LEU 10 77.342 5.449 -2.724 81 HD12 LEU 10 HD12 LEU 10 76.230 4.303 -1.974 82 HD13 LEU 10 HD13 LEU 10 77.820 4.579 -1.265 83 HD21 LEU 10 HD21 LEU 10 77.139 5.869 1.083 84 HD22 LEU 10 HD22 LEU 10 76.021 4.625 0.541 85 HD23 LEU 10 HD23 LEU 10 75.423 6.219 0.983 86 H GLU 11 HN GLU 11 79.006 8.790 1.024 87 HA GLU 11 HA GLU 11 79.610 11.365 -0.271 88 HB2 GLU 11 HB2 GLU 11 79.744 10.796 2.705 89 HB3 GLU 11 HB1 GLU 11 80.400 12.234 1.924 90 HG2 GLU 11 HG2 GLU 11 77.489 11.384 1.834 91 HG3 GLU 11 HG1 GLU 11 78.141 12.640 2.883 92 H ASN 12 HN ASN 12 81.938 11.944 0.154 93 HA ASN 12 HA ASN 12 83.619 9.838 -0.696 94 HB2 ASN 12 HB2 ASN 12 83.963 12.358 -0.973 95 HB3 ASN 12 HB1 ASN 12 84.571 12.348 0.682 96 HD21 ASN 12 HD21 ASN 12 86.778 11.951 0.876 97 HD22 ASN 12 HD22 ASN 12 87.731 11.173 -0.295 98 H VAL 13 HN VAL 13 85.203 8.639 0.395 99 HA VAL 13 HA VAL 13 85.208 8.807 3.359 100 HB VAL 13 HB VAL 13 84.908 6.280 1.713 101 HG11 VAL 13 HG11 VAL 13 86.543 5.718 3.354 102 HG12 VAL 13 HG12 VAL 13 85.008 5.199 4.054 103 HG13 VAL 13 HG13 VAL 13 85.756 6.704 4.587 104 HG21 VAL 13 HG21 VAL 13 83.302 7.432 4.018 105 HG22 VAL 13 HG22 VAL 13 82.929 5.957 3.127 106 HG23 VAL 13 HG23 VAL 13 82.832 7.521 2.319 107 H GLU 14 HN GLU 14 87.186 8.835 4.221 108 HA GLU 14 HA GLU 14 89.509 8.032 2.548 109 HB2 GLU 14 HB2 GLU 14 89.096 10.561 2.922 110 HB3 GLU 14 HB1 GLU 14 89.580 10.258 4.585 111 HG2 GLU 14 HG2 GLU 14 91.608 10.846 3.555 112 HG3 GLU 14 HG1 GLU 14 91.659 9.087 3.543 113 H ALA 15 HN ALA 15 90.916 6.646 3.496 114 HA ALA 15 HA ALA 15 91.225 6.550 6.379 115 HB1 ALA 15 HB1 ALA 15 90.543 4.193 6.590 116 HB2 ALA 15 HB2 ALA 15 90.022 4.201 4.906 117 HB3 ALA 15 HB3 ALA 15 89.191 5.211 6.088 118 H LEU 16 HN LEU 16 93.100 5.514 7.026 119 HA LEU 16 HA LEU 16 95.105 5.099 5.010 120 HB2 LEU 16 HB2 LEU 16 95.033 4.943 8.015 121 HB3 LEU 16 HB1 LEU 16 96.439 4.337 7.139 122 HG LEU 16 HG LEU 16 95.385 7.063 6.443 123 HD11 LEU 16 HD11 LEU 16 95.513 7.207 8.863 124 HD12 LEU 16 HD12 LEU 16 96.909 8.038 8.180 125 HD13 LEU 16 HD13 LEU 16 97.094 6.424 8.864 126 HD21 LEU 16 HD21 LEU 16 98.268 6.231 6.733 127 HD22 LEU 16 HD22 LEU 16 97.561 7.444 5.664 128 HD23 LEU 16 HD23 LEU 16 97.345 5.729 5.319 129 H GLU 17 HN GLU 17 96.399 3.186 4.798 130 HA GLU 17 HA GLU 17 95.008 0.881 4.155 131 HB2 GLU 17 HB2 GLU 17 97.383 1.330 3.526 132 HB3 GLU 17 HB1 GLU 17 97.855 0.977 5.183 133 HG2 GLU 17 HG2 GLU 17 97.016 -1.287 5.002 134 HG3 GLU 17 HG1 GLU 17 96.356 -0.957 3.399 135 H GLY 18 HN GLY 18 94.194 -0.804 5.247 136 HA2 GLY 18 HA2 GLY 18 93.786 -2.317 6.954 137 HA3 GLY 18 HA1 GLY 18 95.125 -1.605 7.850 138 H GLY 19 HN GLY 19 92.775 0.575 6.655 139 HA2 GLY 19 HA2 GLY 19 91.901 1.200 9.383 140 HA3 GLY 19 HA1 GLY 19 91.638 2.181 7.945 141 H GLU 20 HN GLU 20 89.433 2.378 8.713 142 HA GLU 20 HA GLU 20 87.745 0.125 7.809 143 HB2 GLU 20 HB2 GLU 20 87.936 0.180 10.322 144 HB3 GLU 20 HB1 GLU 20 87.193 1.778 10.282 145 HG2 GLU 20 HG2 GLU 20 85.171 0.899 9.317 146 HG3 GLU 20 HG1 GLU 20 85.918 -0.679 9.057 147 H ALA 21 HN ALA 21 85.771 0.756 6.902 148 HA ALA 21 HA ALA 21 85.319 3.657 6.514 149 HB1 ALA 21 HB1 ALA 21 85.778 1.537 4.433 150 HB2 ALA 21 HB2 ALA 21 86.409 3.181 4.504 151 HB3 ALA 21 HB3 ALA 21 84.723 2.901 4.063 152 H LEU 22 HN LEU 22 83.205 4.239 6.585 153 HA LEU 22 HA LEU 22 81.157 2.108 6.488 154 HB2 LEU 22 HB2 LEU 22 81.105 4.389 8.469 155 HB3 LEU 22 HB1 LEU 22 80.059 2.973 8.420 156 HG LEU 22 HG LEU 22 82.437 1.698 8.630 157 HD11 LEU 22 HD11 LEU 22 83.966 2.887 10.091 158 HD12 LEU 22 HD12 LEU 22 82.878 4.272 10.170 159 HD13 LEU 22 HD13 LEU 22 83.690 3.877 8.662 160 HD21 LEU 22 HD21 LEU 22 80.888 2.963 10.913 161 HD22 LEU 22 HD22 LEU 22 82.052 1.651 11.103 162 HD23 LEU 22 HD23 LEU 22 80.572 1.394 10.180 163 H PHE 23 HN PHE 23 79.449 2.564 5.221 164 HA PHE 23 HA PHE 23 79.103 5.369 4.317 165 HB2 PHE 23 HB2 PHE 23 78.590 2.704 2.996 166 HB3 PHE 23 HB1 PHE 23 77.864 4.188 2.401 167 HD1 PHE 23 HD1 PHE 23 79.367 6.100 1.660 168 HD2 PHE 23 HD2 PHE 23 80.892 2.194 2.598 169 HE1 PHE 23 HE1 PHE 23 81.464 6.622 0.453 170 HE2 PHE 23 HE2 PHE 23 82.992 2.732 1.402 171 HZ PHE 23 HZ PHE 23 83.280 4.948 0.327 172 H GLU 24 HN GLU 24 77.595 6.233 5.633 173 HA GLU 24 HA GLU 24 75.155 4.707 6.300 174 HB2 GLU 24 HB2 GLU 24 76.766 6.824 7.601 175 HB3 GLU 24 HB1 GLU 24 75.029 7.043 7.766 176 HG2 GLU 24 HG2 GLU 24 74.789 4.840 8.743 177 HG3 GLU 24 HG1 GLU 24 76.489 4.473 8.449 178 H CYS 25 HN CYS 25 73.449 4.993 5.090 179 HA CYS 25 HA CYS 25 72.795 7.671 3.986 180 HB2 CYS 25 HB2 CYS 25 73.413 6.420 2.088 181 HB3 CYS 25 HB1 CYS 25 72.706 4.938 2.718 182 HG CYS 25 HG CYS 25 70.793 5.593 1.266 183 H GLN 26 HN GLN 26 70.506 8.086 3.766 184 HA GLN 26 HA GLN 26 68.708 6.289 5.279 185 HB2 GLN 26 HB2 GLN 26 69.040 9.271 5.692 186 HB3 GLN 26 HB1 GLN 26 67.654 8.354 6.283 187 HG2 GLN 26 HG2 GLN 26 69.204 6.872 7.542 188 HG3 GLN 26 HG1 GLN 26 70.559 7.859 6.998 189 HE21 GLN 26 HE21 GLN 26 70.509 7.900 9.641 190 HE22 GLN 26 HE22 GLN 26 69.731 9.265 10.283 191 H LEU 27 HN LEU 27 66.634 6.165 4.485 192 HA LEU 27 HA LEU 27 65.815 8.036 2.384 193 HB2 LEU 27 HB2 LEU 27 65.624 6.511 0.661 194 HB3 LEU 27 HB1 LEU 27 67.052 5.886 1.478 195 HG LEU 27 HG LEU 27 64.212 4.869 1.717 196 HD11 LEU 27 HD11 LEU 27 65.377 2.761 0.879 197 HD12 LEU 27 HD12 LEU 27 66.771 3.784 0.537 198 HD13 LEU 27 HD13 LEU 27 65.238 4.080 -0.283 199 HD21 LEU 27 HD21 LEU 27 66.604 4.452 3.464 200 HD22 LEU 27 HD22 LEU 27 65.666 3.015 3.061 201 HD23 LEU 27 HD23 LEU 27 64.890 4.372 3.862 202 H SER 28 HN SER 28 63.461 7.449 1.658 203 HA SER 28 HA SER 28 61.963 6.863 4.137 204 HB2 SER 28 HB2 SER 28 61.832 9.197 3.120 205 HB3 SER 28 HB1 SER 28 60.912 8.453 1.816 206 HG SER 28 HG SER 28 59.272 8.216 3.117 207 H GLN 29 HN GLN 29 61.303 4.803 4.032 208 HA GLN 29 HA GLN 29 59.153 3.964 2.573 209 HB2 GLN 29 HB2 GLN 29 60.049 2.332 0.994 210 HB3 GLN 29 HB1 GLN 29 60.581 3.949 0.566 211 HG2 GLN 29 HG2 GLN 29 62.651 3.251 2.147 212 HG3 GLN 29 HG1 GLN 29 62.162 1.644 1.621 213 HE21 GLN 29 HE21 GLN 29 63.643 1.107 0.014 214 HE22 GLN 29 HE22 GLN 29 64.012 2.089 -1.320 215 HA PRO 30 HA PRO 30 60.240 1.365 6.136 216 HB2 PRO 30 HB2 PRO 30 57.619 0.137 6.128 217 HB3 PRO 30 HB1 PRO 30 58.289 1.294 7.285 218 HG2 PRO 30 HG2 PRO 30 56.279 1.778 5.354 219 HG3 PRO 30 HG1 PRO 30 57.076 2.966 6.393 220 HD2 PRO 30 HD2 PRO 30 57.442 2.520 3.517 221 HD3 PRO 30 HD1 PRO 30 58.022 3.862 4.525 222 H GLU 31 HN GLU 31 59.225 0.315 2.973 223 HA GLU 31 HA GLU 31 60.597 -2.217 3.457 224 HB2 GLU 31 HB2 GLU 31 58.212 -2.691 3.975 225 HB3 GLU 31 HB1 GLU 31 57.784 -2.170 2.342 226 HG2 GLU 31 HG2 GLU 31 59.182 -3.907 1.368 227 HG3 GLU 31 HG1 GLU 31 59.763 -4.376 2.963 228 H VAL 32 HN VAL 32 61.734 -2.878 1.782 229 HA VAL 32 HA VAL 32 62.018 -1.202 -0.488 230 HB VAL 32 HB VAL 32 63.928 -2.318 0.484 231 HG11 VAL 32 HG11 VAL 32 62.838 -4.971 -0.468 232 HG12 VAL 32 HG12 VAL 32 62.506 -4.379 1.157 233 HG13 VAL 32 HG13 VAL 32 64.169 -4.669 0.651 234 HG21 VAL 32 HG21 VAL 32 64.941 -3.064 -1.527 235 HG22 VAL 32 HG22 VAL 32 63.714 -1.904 -2.035 236 HG23 VAL 32 HG23 VAL 32 63.407 -3.635 -2.182 237 H ALA 33 HN ALA 33 61.770 -1.653 -2.596 238 HA ALA 33 HA ALA 33 59.743 -3.715 -3.332 239 HB1 ALA 33 HB1 ALA 33 58.712 -1.659 -3.812 240 HB2 ALA 33 HB2 ALA 33 59.402 -2.131 -5.364 241 HB3 ALA 33 HB3 ALA 33 60.215 -0.922 -4.368 242 H ALA 34 HN ALA 34 62.728 -2.096 -4.142 243 HA ALA 34 HA ALA 34 63.810 -4.417 -5.426 244 HB1 ALA 34 HB1 ALA 34 62.284 -3.440 -7.197 245 HB2 ALA 34 HB2 ALA 34 63.974 -3.599 -7.678 246 HB3 ALA 34 HB3 ALA 34 63.334 -2.023 -7.215 247 H HIS 35 HN HIS 35 65.928 -4.369 -4.832 248 HA HIS 35 HA HIS 35 67.336 -1.754 -4.768 249 HB2 HIS 35 HB2 HIS 35 67.106 -3.814 -2.600 250 HB3 HIS 35 HB1 HIS 35 68.655 -2.997 -2.781 251 HD1 HIS 35 HD1 HIS 35 65.345 -1.305 -3.439 252 HD2 HIS 35 HD2 HIS 35 68.372 -1.284 -0.574 253 HE1 HIS 35 HE1 HIS 35 64.882 0.656 -1.923 254 H THR 36 HN THR 36 69.206 -1.687 -5.799 255 HA THR 36 HA THR 36 70.620 -4.222 -6.432 256 HB THR 36 HB THR 36 70.067 -1.843 -8.224 257 HG1 THR 36 HG1 THR 36 69.208 -3.530 -9.531 258 HG21 THR 36 HG21 THR 36 72.275 -2.312 -8.799 259 HG22 THR 36 HG22 THR 36 71.402 -3.405 -9.869 260 HG23 THR 36 HG23 THR 36 72.133 -4.022 -8.388 261 H TRP 37 HN TRP 37 72.465 -4.140 -5.307 262 HA TRP 37 HA TRP 37 73.879 -1.530 -5.072 263 HB2 TRP 37 HB2 TRP 37 72.859 -2.730 -2.978 264 HB3 TRP 37 HB1 TRP 37 74.254 -3.787 -3.120 265 HD1 TRP 37 HD1 TRP 37 76.530 -1.822 -3.855 266 HE1 TRP 37 HE1 TRP 37 77.311 0.000 -2.219 267 HE3 TRP 37 HE3 TRP 37 72.385 -1.456 -0.878 268 HZ2 TRP 37 HZ2 TRP 37 76.327 1.428 0.046 269 HZ3 TRP 37 HZ3 TRP 37 72.341 0.154 1.009 270 HH2 TRP 37 HH2 TRP 37 74.300 1.595 1.474 271 H LEU 38 HN LEU 38 75.644 -1.419 -6.167 272 HA LEU 38 HA LEU 38 77.516 -3.677 -6.278 273 HB2 LEU 38 HB2 LEU 38 76.421 -2.274 -8.717 274 HB3 LEU 38 HB1 LEU 38 77.888 -3.247 -8.736 275 HG LEU 38 HG LEU 38 75.157 -4.255 -7.882 276 HD11 LEU 38 HD11 LEU 38 75.426 -3.644 -10.328 277 HD12 LEU 38 HD12 LEU 38 75.053 -5.342 -10.032 278 HD13 LEU 38 HD13 LEU 38 76.705 -4.858 -10.418 279 HD21 LEU 38 HD21 LEU 38 76.533 -6.497 -8.406 280 HD22 LEU 38 HD22 LEU 38 76.637 -5.730 -6.828 281 HD23 LEU 38 HD23 LEU 38 77.915 -5.473 -8.012 282 H LEU 39 HN LEU 39 79.264 -2.864 -5.439 283 HA LEU 39 HA LEU 39 80.035 -0.076 -5.978 284 HB2 LEU 39 HB2 LEU 39 81.868 -0.977 -4.156 285 HB3 LEU 39 HB1 LEU 39 80.335 -0.270 -3.694 286 HG LEU 39 HG LEU 39 79.321 -2.529 -3.593 287 HD11 LEU 39 HD11 LEU 39 80.799 -4.506 -3.655 288 HD12 LEU 39 HD12 LEU 39 82.167 -3.486 -4.063 289 HD13 LEU 39 HD13 LEU 39 80.837 -3.668 -5.206 290 HD21 LEU 39 HD21 LEU 39 80.476 -1.382 -1.630 291 HD22 LEU 39 HD22 LEU 39 81.857 -2.430 -1.950 292 HD23 LEU 39 HD23 LEU 39 80.303 -3.132 -1.507 293 H ASP 40 HN ASP 40 82.612 -2.148 -5.139 294 HA ASP 40 HA ASP 40 83.897 -1.834 -7.584 295 HB2 ASP 40 HB2 ASP 40 85.047 -2.563 -5.494 296 HB3 ASP 40 HB1 ASP 40 84.198 -4.104 -5.574 297 H ASP 41 HN ASP 41 84.246 -3.691 -9.113 298 HA ASP 41 HA ASP 41 81.787 -4.530 -10.165 299 HB2 ASP 41 HB2 ASP 41 84.608 -5.410 -10.769 300 HB3 ASP 41 HB1 ASP 41 83.207 -5.890 -11.723 301 H GLU 42 HN GLU 42 82.181 -5.513 -7.392 302 HA GLU 42 HA GLU 42 81.767 -8.394 -7.966 303 HB2 GLU 42 HB2 GLU 42 83.358 -7.190 -5.688 304 HB3 GLU 42 HB1 GLU 42 82.795 -8.864 -5.693 305 HG2 GLU 42 HG2 GLU 42 84.024 -9.311 -7.754 306 HG3 GLU 42 HG1 GLU 42 84.505 -7.621 -7.871 307 HA PRO 43 HA PRO 43 77.857 -7.606 -5.988 308 HB2 PRO 43 HB2 PRO 43 77.752 -10.208 -4.692 309 HB3 PRO 43 HB1 PRO 43 76.843 -9.657 -6.105 310 HG2 PRO 43 HG2 PRO 43 79.095 -11.452 -6.013 311 HG3 PRO 43 HG1 PRO 43 78.121 -10.978 -7.408 312 HD2 PRO 43 HD2 PRO 43 80.810 -10.216 -6.876 313 HD3 PRO 43 HD1 PRO 43 79.763 -9.574 -8.158 314 H VAL 44 HN VAL 44 77.432 -6.597 -4.025 315 HA VAL 44 HA VAL 44 79.546 -6.744 -2.029 316 HB VAL 44 HB VAL 44 78.708 -4.574 -2.658 317 HG11 VAL 44 HG11 VAL 44 76.050 -5.099 -1.374 318 HG12 VAL 44 HG12 VAL 44 76.296 -5.583 -3.047 319 HG13 VAL 44 HG13 VAL 44 76.495 -3.900 -2.573 320 HG21 VAL 44 HG21 VAL 44 79.505 -4.939 -0.338 321 HG22 VAL 44 HG22 VAL 44 77.864 -5.301 0.160 322 HG23 VAL 44 HG23 VAL 44 78.263 -3.693 -0.415 323 H ARG 45 HN ARG 45 79.303 -8.785 -1.245 324 HA ARG 45 HA ARG 45 77.491 -8.985 0.995 325 HB2 ARG 45 HB2 ARG 45 77.438 -11.006 -1.264 326 HB3 ARG 45 HB1 ARG 45 76.842 -11.357 0.360 327 HG2 ARG 45 HG2 ARG 45 75.399 -9.239 0.113 328 HG3 ARG 45 HG1 ARG 45 75.808 -9.299 -1.599 329 HD2 ARG 45 HD2 ARG 45 74.458 -11.485 -0.007 330 HD3 ARG 45 HD1 ARG 45 73.678 -10.418 -1.169 331 HE ARG 45 HE ARG 45 75.379 -12.695 -1.780 332 HH11 ARG 45 HH21 ARG 45 72.767 -11.393 -3.074 333 HH12 ARG 45 HH22 ARG 45 73.382 -11.077 -4.663 334 HH21 ARG 45 HH11 ARG 45 76.691 -11.549 -3.765 335 HH22 ARG 45 HH12 ARG 45 75.599 -11.166 -5.053 336 H THR 46 HN THR 46 79.115 -11.606 -0.580 337 HA THR 46 HA THR 46 80.906 -12.918 0.023 338 HB THR 46 HB THR 46 82.940 -11.787 0.168 339 HG1 THR 46 HG1 THR 46 83.227 -10.431 1.717 340 HG21 THR 46 HG21 THR 46 81.242 -9.468 -0.711 341 HG22 THR 46 HG22 THR 46 81.347 -10.932 -1.690 342 HG23 THR 46 HG23 THR 46 82.802 -9.999 -1.340 343 H SER 47 HN SER 47 82.422 -11.394 2.596 344 HA SER 47 HA SER 47 80.727 -12.747 4.619 345 HB2 SER 47 HB2 SER 47 82.726 -14.154 3.878 346 HB3 SER 47 HB1 SER 47 83.737 -12.930 4.644 347 HG SER 47 HG SER 47 81.759 -13.534 6.309 348 H GLU 48 HN GLU 48 82.907 -12.262 6.590 349 HA GLU 48 HA GLU 48 81.926 -9.859 7.623 350 HB2 GLU 48 HB2 GLU 48 83.177 -11.819 8.779 351 HB3 GLU 48 HB1 GLU 48 84.642 -10.933 8.361 352 HG2 GLU 48 HG2 GLU 48 84.061 -10.175 10.538 353 HG3 GLU 48 HG1 GLU 48 83.530 -8.895 9.449 354 H ASN 49 HN ASN 49 84.889 -10.466 5.743 355 HA ASN 49 HA ASN 49 86.068 -7.911 6.048 356 HB2 ASN 49 HB2 ASN 49 86.276 -9.895 3.768 357 HB3 ASN 49 HB1 ASN 49 87.353 -8.519 4.002 358 HD21 ASN 49 HD21 ASN 49 88.660 -8.538 6.108 359 HD22 ASN 49 HD22 ASN 49 89.058 -10.042 6.791 360 H ALA 50 HN ALA 50 83.120 -8.457 4.855 361 HA ALA 50 HA ALA 50 82.577 -5.968 3.834 362 HB1 ALA 50 HB1 ALA 50 84.026 -6.303 1.939 363 HB2 ALA 50 HB2 ALA 50 82.381 -6.505 1.359 364 HB3 ALA 50 HB3 ALA 50 83.386 -7.922 1.667 365 H GLU 51 HN GLU 51 80.357 -5.836 3.803 366 HA GLU 51 HA GLU 51 78.590 -7.712 2.729 367 HB2 GLU 51 HB2 GLU 51 79.287 -9.257 4.506 368 HB3 GLU 51 HB1 GLU 51 78.959 -8.028 5.725 369 HG2 GLU 51 HG2 GLU 51 76.598 -8.072 5.246 370 HG3 GLU 51 HG1 GLU 51 76.847 -9.086 3.823 371 H VAL 52 HN VAL 52 76.382 -6.896 2.827 372 HA VAL 52 HA VAL 52 76.235 -4.196 3.835 373 HB VAL 52 HB VAL 52 74.022 -5.903 2.681 374 HG11 VAL 52 HG11 VAL 52 74.514 -2.917 2.527 375 HG12 VAL 52 HG12 VAL 52 73.487 -3.676 3.744 376 HG13 VAL 52 HG13 VAL 52 73.063 -3.786 2.035 377 HG21 VAL 52 HG21 VAL 52 76.123 -4.263 1.241 378 HG22 VAL 52 HG22 VAL 52 74.697 -4.975 0.484 379 HG23 VAL 52 HG23 VAL 52 75.934 -6.017 1.182 380 H VAL 53 HN VAL 53 75.253 -3.553 5.647 381 HA VAL 53 HA VAL 53 73.639 -5.473 7.229 382 HB VAL 53 HB VAL 53 74.653 -4.297 9.286 383 HG11 VAL 53 HG11 VAL 53 75.183 -6.602 8.796 384 HG12 VAL 53 HG12 VAL 53 76.682 -5.774 9.221 385 HG13 VAL 53 HG13 VAL 53 76.312 -6.119 7.532 386 HG21 VAL 53 HG21 VAL 53 75.758 -2.483 7.893 387 HG22 VAL 53 HG22 VAL 53 76.893 -3.713 7.330 388 HG23 VAL 53 HG23 VAL 53 76.825 -3.294 9.040 389 H PHE 54 HN PHE 54 71.748 -4.585 7.997 390 HA PHE 54 HA PHE 54 71.498 -1.708 8.253 391 HB2 PHE 54 HB2 PHE 54 69.684 -1.443 6.670 392 HB3 PHE 54 HB1 PHE 54 71.116 -2.046 5.834 393 HD1 PHE 54 HD1 PHE 54 71.207 -4.394 5.025 394 HD2 PHE 54 HD2 PHE 54 67.733 -2.802 6.987 395 HE1 PHE 54 HE1 PHE 54 69.854 -6.310 4.196 396 HE2 PHE 54 HE2 PHE 54 66.387 -4.709 6.167 397 HZ PHE 54 HZ PHE 54 67.438 -6.460 4.765 398 H PHE 55 HN PHE 55 69.565 -1.039 9.281 399 HA PHE 55 HA PHE 55 67.967 -3.204 10.520 400 HB2 PHE 55 HB2 PHE 55 69.036 -0.775 11.972 401 HB3 PHE 55 HB1 PHE 55 68.200 -2.164 12.668 402 HD1 PHE 55 HD2 PHE 55 69.294 -4.486 12.389 403 HD2 PHE 55 HD1 PHE 55 71.395 -0.795 11.740 404 HE1 PHE 55 HE2 PHE 55 71.456 -5.672 12.637 405 HE2 PHE 55 HE1 PHE 55 73.559 -1.984 11.986 406 HZ PHE 55 HZ PHE 55 73.589 -4.424 12.435 407 H GLU 56 HN GLU 56 65.950 -2.447 11.433 408 HA GLU 56 HA GLU 56 64.018 -1.211 11.507 409 HB2 GLU 56 HB2 GLU 56 65.645 0.800 11.660 410 HB3 GLU 56 HB1 GLU 56 65.320 1.007 9.944 411 HG2 GLU 56 HG2 GLU 56 62.921 1.226 10.378 412 HG3 GLU 56 HG1 GLU 56 63.178 0.894 12.088 413 H ASN 57 HN ASN 57 64.904 -3.022 9.419 414 HA ASN 57 HA ASN 57 64.093 -3.930 7.490 415 HB2 ASN 57 HB2 ASN 57 61.898 -1.870 7.696 416 HB3 ASN 57 HB1 ASN 57 61.839 -3.427 6.873 417 HD21 ASN 57 HD21 ASN 57 63.245 -4.931 8.966 418 HD22 ASN 57 HD22 ASN 57 62.189 -5.032 10.290 419 H GLY 58 HN GLY 58 66.020 -1.668 7.272 420 HA2 GLY 58 HA2 GLY 58 67.059 -1.026 5.239 421 HA3 GLY 58 HA1 GLY 58 65.505 -1.095 4.430 422 H LEU 59 HN LEU 59 64.701 0.555 7.102 423 HA LEU 59 HA LEU 59 64.536 3.025 5.770 424 HB2 LEU 59 HB2 LEU 59 63.264 2.214 7.889 425 HB3 LEU 59 HB1 LEU 59 64.651 2.840 8.773 426 HG LEU 59 HG LEU 59 64.357 5.012 7.491 427 HD11 LEU 59 HD11 LEU 59 61.692 5.134 6.906 428 HD12 LEU 59 HD12 LEU 59 62.039 3.476 6.427 429 HD13 LEU 59 HD13 LEU 59 62.945 4.808 5.716 430 HD21 LEU 59 HD21 LEU 59 62.392 5.712 8.953 431 HD22 LEU 59 HD22 LEU 59 63.738 4.948 9.796 432 HD23 LEU 59 HD23 LEU 59 62.276 4.023 9.453 433 H ARG 60 HN ARG 60 67.036 1.564 7.682 434 HA ARG 60 HA ARG 60 68.820 3.891 7.199 435 HB2 ARG 60 HB2 ARG 60 68.576 2.224 9.718 436 HB3 ARG 60 HB1 ARG 60 69.937 3.295 9.385 437 HG2 ARG 60 HG2 ARG 60 68.411 5.212 9.201 438 HG3 ARG 60 HG1 ARG 60 67.029 4.152 9.487 439 HD2 ARG 60 HD2 ARG 60 67.882 3.587 11.706 440 HD3 ARG 60 HD1 ARG 60 69.321 4.562 11.429 441 HE ARG 60 HE ARG 60 66.861 6.051 11.145 442 HH11 ARG 60 HH11 ARG 60 68.598 4.467 13.628 443 HH12 ARG 60 HH12 ARG 60 68.595 5.818 14.711 444 HH21 ARG 60 HH21 ARG 60 67.179 7.993 12.413 445 HH22 ARG 60 HH22 ARG 60 67.811 7.819 14.017 446 H HIS 61 HN HIS 61 69.743 2.923 5.418 447 HA HIS 61 HA HIS 61 70.795 0.223 5.544 448 HB2 HIS 61 HB2 HIS 61 70.649 2.351 3.431 449 HB3 HIS 61 HB1 HIS 61 71.642 0.916 3.188 450 HD1 HIS 61 HD1 HIS 61 68.205 2.111 2.896 451 HD2 HIS 61 HD2 HIS 61 70.044 -1.591 3.462 452 HE1 HIS 61 HE1 HIS 61 66.462 0.351 2.351 453 H LEU 62 HN LEU 62 72.706 -0.268 6.412 454 HA LEU 62 HA LEU 62 74.917 1.711 6.282 455 HB2 LEU 62 HB2 LEU 62 74.290 -0.463 8.298 456 HB3 LEU 62 HB1 LEU 62 75.859 0.322 8.201 457 HG LEU 62 HG LEU 62 74.682 2.532 8.466 458 HD11 LEU 62 HD11 LEU 62 72.322 0.695 8.592 459 HD12 LEU 62 HD12 LEU 62 72.437 2.352 8.004 460 HD13 LEU 62 HD13 LEU 62 72.336 2.040 9.731 461 HD21 LEU 62 HD21 LEU 62 74.101 2.004 10.969 462 HD22 LEU 62 HD22 LEU 62 75.756 1.769 10.413 463 HD23 LEU 62 HD23 LEU 62 74.681 0.381 10.585 464 H LEU 63 HN LEU 63 77.028 0.879 5.726 465 HA LEU 63 HA LEU 63 77.148 -1.912 4.766 466 HB2 LEU 63 HB2 LEU 63 76.587 -0.106 2.911 467 HB3 LEU 63 HB1 LEU 63 78.306 0.254 3.021 468 HG LEU 63 HG LEU 63 77.031 -2.414 2.350 469 HD11 LEU 63 HD11 LEU 63 78.045 -0.216 0.743 470 HD12 LEU 63 HD12 LEU 63 77.253 -1.701 0.230 471 HD13 LEU 63 HD13 LEU 63 79.000 -1.668 0.439 472 HD21 LEU 63 HD21 LEU 63 79.454 -3.156 2.056 473 HD22 LEU 63 HD22 LEU 63 78.917 -2.963 3.718 474 HD23 LEU 63 HD23 LEU 63 79.908 -1.718 2.964 475 H LEU 64 HN LEU 64 78.902 -2.787 5.876 476 HA LEU 64 HA LEU 64 81.138 -0.966 6.532 477 HB2 LEU 64 HB2 LEU 64 79.843 -2.189 8.348 478 HB3 LEU 64 HB1 LEU 64 80.562 -3.673 7.725 479 HG LEU 64 HG LEU 64 82.832 -2.317 7.945 480 HD11 LEU 64 HD11 LEU 64 81.252 -0.282 8.721 481 HD12 LEU 64 HD12 LEU 64 82.885 -0.490 9.343 482 HD13 LEU 64 HD13 LEU 64 81.505 -1.027 10.297 483 HD21 LEU 64 HD21 LEU 64 81.383 -3.364 10.396 484 HD22 LEU 64 HD22 LEU 64 83.130 -3.224 10.200 485 HD23 LEU 64 HD23 LEU 64 82.220 -4.368 9.213 486 H LEU 65 HN LEU 65 83.042 -1.194 5.662 487 HA LEU 65 HA LEU 65 83.877 -3.771 4.440 488 HB2 LEU 65 HB2 LEU 65 84.543 -0.992 3.423 489 HB3 LEU 65 HB1 LEU 65 85.023 -2.521 2.689 490 HG LEU 65 HG LEU 65 82.178 -1.552 3.018 491 HD11 LEU 65 HD11 LEU 65 84.025 -1.678 0.623 492 HD12 LEU 65 HD12 LEU 65 83.276 -0.241 1.318 493 HD13 LEU 65 HD13 LEU 65 82.283 -1.444 0.496 494 HD21 LEU 65 HD21 LEU 65 83.422 -4.074 1.946 495 HD22 LEU 65 HD22 LEU 65 81.872 -3.517 1.316 496 HD23 LEU 65 HD23 LEU 65 82.041 -3.892 3.022 497 H LYS 66 HN LYS 66 85.508 -4.502 5.856 498 HA LYS 66 HA LYS 66 87.322 -2.477 6.978 499 HB2 LYS 66 HB2 LYS 66 87.890 -4.189 8.622 500 HB3 LYS 66 HB1 LYS 66 86.155 -3.905 8.581 501 HG2 LYS 66 HG2 LYS 66 85.829 -5.888 7.199 502 HG3 LYS 66 HG1 LYS 66 87.571 -6.168 7.156 503 HD2 LYS 66 HD2 LYS 66 87.600 -6.404 9.610 504 HD3 LYS 66 HD1 LYS 66 85.858 -6.129 9.656 505 HE2 LYS 66 HE2 LYS 66 85.483 -8.117 8.289 506 HE3 LYS 66 HE1 LYS 66 87.221 -8.390 8.173 507 HZ1 LYS 66 HZ1 LYS 66 85.448 -9.151 10.217 508 HZ2 LYS 66 HZ2 LYS 66 86.609 -8.097 10.863 509 HZ3 LYS 66 HZ3 LYS 66 87.094 -9.513 10.055 510 H ASN 67 HN ASN 67 89.365 -4.297 7.632 511 HA ASN 67 HA ASN 67 91.472 -4.770 6.708 512 HB2 ASN 67 HB2 ASN 67 90.081 -6.871 6.446 513 HB3 ASN 67 HB1 ASN 67 89.756 -6.359 4.790 514 HD21 ASN 67 HD21 ASN 67 91.088 -8.719 4.869 515 HD22 ASN 67 HD22 ASN 67 92.741 -8.522 4.541 516 H LEU 68 HN LEU 68 90.613 -2.333 5.787 517 HA LEU 68 HA LEU 68 90.358 -2.074 3.027 518 HB2 LEU 68 HB2 LEU 68 91.641 -0.091 4.896 519 HB3 LEU 68 HB1 LEU 68 90.998 0.249 3.294 520 HG LEU 68 HG LEU 68 89.398 -0.739 5.670 521 HD11 LEU 68 HD11 LEU 68 90.111 1.615 5.826 522 HD12 LEU 68 HD12 LEU 68 88.378 1.510 5.535 523 HD13 LEU 68 HD13 LEU 68 89.471 1.920 4.216 524 HD21 LEU 68 HD21 LEU 68 87.479 -0.043 4.021 525 HD22 LEU 68 HD22 LEU 68 88.244 -1.614 3.810 526 HD23 LEU 68 HD23 LEU 68 88.705 -0.263 2.772 527 H ARG 69 HN ARG 69 91.708 -1.631 1.358 528 HA ARG 69 HA ARG 69 94.607 -1.823 1.746 529 HB2 ARG 69 HB2 ARG 69 92.876 -3.796 0.276 530 HB3 ARG 69 HB1 ARG 69 94.489 -3.456 -0.348 531 HG2 ARG 69 HG2 ARG 69 95.549 -4.241 1.598 532 HG3 ARG 69 HG1 ARG 69 94.077 -4.137 2.560 533 HD2 ARG 69 HD2 ARG 69 94.616 -6.086 0.310 534 HD3 ARG 69 HD1 ARG 69 94.552 -6.468 2.029 535 HE ARG 69 HE ARG 69 92.110 -5.417 1.640 536 HH11 ARG 69 HH11 ARG 69 93.160 -8.442 1.441 537 HH12 ARG 69 HH12 ARG 69 92.173 -8.988 0.127 538 HH21 ARG 69 HH21 ARG 69 91.126 -5.787 -0.733 539 HH22 ARG 69 HH22 ARG 69 91.009 -7.472 -1.107 540 HA PRO 70 HA PRO 70 94.635 1.282 -1.411 541 HB2 PRO 70 HB2 PRO 70 96.592 0.036 -3.146 542 HB3 PRO 70 HB1 PRO 70 96.850 1.359 -1.997 543 HG2 PRO 70 HG2 PRO 70 97.560 -1.457 -1.740 544 HG3 PRO 70 HG1 PRO 70 98.075 -0.081 -0.756 545 HD2 PRO 70 HD2 PRO 70 96.312 -2.087 0.084 546 HD3 PRO 70 HD1 PRO 70 96.483 -0.496 0.850 547 H GLN 71 HN GLN 71 94.774 -2.081 -2.391 548 HA GLN 71 HA GLN 71 93.755 -2.011 -4.964 549 HB2 GLN 71 HB2 GLN 71 94.603 -4.052 -3.923 550 HB3 GLN 71 HB1 GLN 71 93.268 -4.052 -2.774 551 HG2 GLN 71 HG2 GLN 71 91.658 -4.415 -4.559 552 HG3 GLN 71 HG1 GLN 71 92.915 -4.224 -5.782 553 HE21 GLN 71 HE21 GLN 71 91.316 -6.658 -5.490 554 HE22 GLN 71 HE22 GLN 71 92.383 -7.903 -5.045 555 H ASP 72 HN ASP 72 91.856 -2.411 -1.923 556 HA ASP 72 HA ASP 72 89.341 -2.553 -2.882 557 HB2 ASP 72 HB2 ASP 72 89.996 -2.623 -0.494 558 HB3 ASP 72 HB1 ASP 72 90.168 -0.870 -0.517 559 H SER 73 HN SER 73 91.166 0.569 -2.540 560 HA SER 73 HA SER 73 89.178 2.371 -2.911 561 HB2 SER 73 HB2 SER 73 91.871 2.313 -4.281 562 HB3 SER 73 HB1 SER 73 90.811 3.720 -4.233 563 HG SER 73 HG SER 73 92.550 2.942 -2.419 564 H CYS 74 HN CYS 74 87.463 2.156 -4.181 565 HA CYS 74 HA CYS 74 87.845 2.017 -7.067 566 HB2 CYS 74 HB2 CYS 74 86.156 -0.059 -5.662 567 HB3 CYS 74 HB1 CYS 74 86.413 0.092 -7.399 568 HG CYS 74 HG CYS 74 89.068 -0.207 -5.987 569 H ARG 75 HN ARG 75 85.337 1.489 -7.872 570 HA ARG 75 HA ARG 75 83.953 3.932 -7.222 571 HB2 ARG 75 HB2 ARG 75 84.003 3.383 -9.521 572 HB3 ARG 75 HB1 ARG 75 83.593 1.698 -9.223 573 HG2 ARG 75 HG2 ARG 75 81.689 2.979 -10.177 574 HG3 ARG 75 HG1 ARG 75 81.305 2.345 -8.580 575 HD2 ARG 75 HD2 ARG 75 80.617 4.715 -8.872 576 HD3 ARG 75 HD1 ARG 75 81.767 4.499 -7.572 577 HE ARG 75 HE ARG 75 83.395 5.620 -8.844 578 HH11 ARG 75 HH21 ARG 75 82.965 4.441 -11.519 579 HH12 ARG 75 HH22 ARG 75 82.292 5.750 -12.430 580 HH21 ARG 75 HH11 ARG 75 81.415 7.586 -9.608 581 HH22 ARG 75 HH12 ARG 75 81.426 7.552 -11.339 582 H VAL 76 HN VAL 76 82.344 4.124 -5.755 583 HA VAL 76 HA VAL 76 80.951 1.679 -4.803 584 HB VAL 76 HB VAL 76 81.376 4.319 -3.382 585 HG11 VAL 76 HG11 VAL 76 79.237 3.437 -2.743 586 HG12 VAL 76 HG12 VAL 76 80.367 3.023 -1.452 587 HG13 VAL 76 HG13 VAL 76 79.882 1.801 -2.628 588 HG21 VAL 76 HG21 VAL 76 82.654 2.844 -1.785 589 HG22 VAL 76 HG22 VAL 76 83.405 2.994 -3.375 590 HG23 VAL 76 HG23 VAL 76 82.503 1.537 -2.959 591 H THR 77 HN THR 77 79.006 1.513 -5.824 592 HA THR 77 HA THR 77 77.352 3.971 -6.068 593 HB THR 77 HB THR 77 77.569 1.757 -8.115 594 HG1 THR 77 HG1 THR 77 79.133 2.965 -8.796 595 HG21 THR 77 HG21 THR 77 75.325 2.596 -8.097 596 HG22 THR 77 HG22 THR 77 76.142 3.402 -9.434 597 HG23 THR 77 HG23 THR 77 75.882 4.259 -7.916 598 H PHE 78 HN PHE 78 75.334 3.853 -5.457 599 HA PHE 78 HA PHE 78 74.149 1.227 -4.765 600 HB2 PHE 78 HB2 PHE 78 74.771 2.299 -2.700 601 HB3 PHE 78 HB1 PHE 78 74.103 3.837 -3.235 602 HD1 PHE 78 HD2 PHE 78 72.854 0.286 -3.110 603 HD2 PHE 78 HD1 PHE 78 72.129 4.402 -2.111 604 HE1 PHE 78 HE2 PHE 78 70.685 -0.345 -2.095 605 HE2 PHE 78 HE1 PHE 78 69.958 3.770 -1.106 606 HZ PHE 78 HZ PHE 78 69.245 1.395 -1.083 607 H LEU 79 HN LEU 79 72.459 0.869 -6.075 608 HA LEU 79 HA LEU 79 70.919 3.196 -7.075 609 HB2 LEU 79 HB2 LEU 79 72.059 2.085 -8.877 610 HB3 LEU 79 HB1 LEU 79 71.484 0.511 -8.341 611 HG LEU 79 HG LEU 79 69.211 1.045 -8.934 612 HD11 LEU 79 HD11 LEU 79 70.290 3.843 -9.214 613 HD12 LEU 79 HD12 LEU 79 68.911 3.284 -8.266 614 HD13 LEU 79 HD13 LEU 79 68.802 3.362 -10.025 615 HD21 LEU 79 HD21 LEU 79 69.417 1.304 -11.307 616 HD22 LEU 79 HD22 LEU 79 70.879 0.475 -10.770 617 HD23 LEU 79 HD23 LEU 79 70.924 2.200 -11.140 618 H ALA 80 HN ALA 80 69.394 3.291 -5.455 619 HA ALA 80 HA ALA 80 67.577 0.961 -5.180 620 HB1 ALA 80 HB1 ALA 80 66.839 2.708 -3.174 621 HB2 ALA 80 HB2 ALA 80 68.571 3.016 -3.294 622 HB3 ALA 80 HB3 ALA 80 67.984 1.384 -2.978 623 H GLY 81 HN GLY 81 66.173 1.224 -6.845 624 HA2 GLY 81 HA2 GLY 81 64.427 2.106 -8.071 625 HA3 GLY 81 HA1 GLY 81 64.037 3.011 -6.611 626 H ASP 82 HN ASP 82 63.380 4.670 -8.213 627 HA ASP 82 HA ASP 82 65.039 5.982 -9.989 628 HB2 ASP 82 HB2 ASP 82 62.746 6.925 -8.269 629 HB3 ASP 82 HB1 ASP 82 63.518 7.971 -9.468 630 H MET 83 HN MET 83 65.847 5.568 -6.881 631 HA MET 83 HA MET 83 67.112 8.229 -6.564 632 HB2 MET 83 HB2 MET 83 66.839 6.123 -4.425 633 HB3 MET 83 HB1 MET 83 67.125 7.852 -4.243 634 HG2 MET 83 HG2 MET 83 64.832 8.155 -5.409 635 HG3 MET 83 HG1 MET 83 64.579 6.449 -5.048 636 HE1 MET 83 HE1 MET 83 64.445 6.046 -1.408 637 HE2 MET 83 HE2 MET 83 66.112 6.261 -1.937 638 HE3 MET 83 HE3 MET 83 64.971 5.406 -2.974 639 H VAL 84 HN VAL 84 69.221 8.317 -7.096 640 HA VAL 84 HA VAL 84 70.893 5.904 -6.659 641 HB VAL 84 HB VAL 84 70.622 6.132 -9.025 642 HG11 VAL 84 HG11 VAL 84 69.772 8.463 -8.988 643 HG12 VAL 84 HG12 VAL 84 71.020 8.226 -10.210 644 HG13 VAL 84 HG13 VAL 84 71.415 9.034 -8.696 645 HG21 VAL 84 HG21 VAL 84 73.239 7.526 -8.400 646 HG22 VAL 84 HG22 VAL 84 72.896 6.407 -9.718 647 HG23 VAL 84 HG23 VAL 84 72.974 5.815 -8.060 648 H THR 85 HN THR 85 72.538 6.170 -5.398 649 HA THR 85 HA THR 85 73.655 8.866 -4.880 650 HB THR 85 HB THR 85 73.644 8.460 -2.570 651 HG1 THR 85 HG1 THR 85 73.012 5.751 -2.955 652 HG21 THR 85 HG21 THR 85 71.393 7.692 -1.987 653 HG22 THR 85 HG22 THR 85 71.227 6.905 -3.549 654 HG23 THR 85 HG23 THR 85 71.312 8.665 -3.454 655 H SER 86 HN SER 86 75.825 8.917 -5.297 656 HA SER 86 HA SER 86 77.393 6.435 -4.931 657 HB2 SER 86 HB2 SER 86 77.602 8.131 -7.413 658 HB3 SER 86 HB1 SER 86 78.377 6.581 -7.098 659 HG SER 86 HG SER 86 76.390 6.572 -8.410 660 H ALA 87 HN ALA 87 79.438 6.716 -4.244 661 HA ALA 87 HA ALA 87 80.668 9.385 -4.341 662 HB1 ALA 87 HB1 ALA 87 80.167 7.773 -1.832 663 HB2 ALA 87 HB2 ALA 87 79.637 9.419 -2.177 664 HB3 ALA 87 HB3 ALA 87 81.349 9.078 -1.926 665 H PHE 88 HN PHE 88 82.944 9.333 -4.023 666 HA PHE 88 HA PHE 88 84.168 6.974 -5.125 667 HB2 PHE 88 HB2 PHE 88 85.383 9.552 -4.120 668 HB3 PHE 88 HB1 PHE 88 86.208 8.336 -5.090 669 HD1 PHE 88 HD1 PHE 88 85.010 7.682 -7.364 670 HD2 PHE 88 HD2 PHE 88 84.304 11.332 -5.204 671 HE1 PHE 88 HE1 PHE 88 84.166 8.751 -9.437 672 HE2 PHE 88 HE2 PHE 88 83.456 12.393 -7.276 673 HZ PHE 88 HZ PHE 88 83.389 11.106 -9.392 674 H LEU 89 HN LEU 89 86.189 6.080 -4.201 675 HA LEU 89 HA LEU 89 86.214 6.011 -1.236 676 HB2 LEU 89 HB2 LEU 89 85.187 3.925 -2.040 677 HB3 LEU 89 HB1 LEU 89 86.560 3.642 -3.103 678 HG LEU 89 HG LEU 89 88.052 3.443 -1.152 679 HD11 LEU 89 HD11 LEU 89 86.826 3.242 1.131 680 HD12 LEU 89 HD12 LEU 89 85.526 4.143 0.354 681 HD13 LEU 89 HD13 LEU 89 87.129 4.863 0.509 682 HD21 LEU 89 HD21 LEU 89 87.099 1.342 -0.246 683 HD22 LEU 89 HD22 LEU 89 86.884 1.435 -1.995 684 HD23 LEU 89 HD23 LEU 89 85.527 1.770 -0.918 685 H THR 90 HN THR 90 88.250 6.120 -0.326 686 HA THR 90 HA THR 90 90.595 5.954 -2.118 687 HB THR 90 HB THR 90 91.411 8.081 -0.790 688 HG1 THR 90 HG1 THR 90 88.620 8.507 -0.804 689 HG21 THR 90 HG21 THR 90 91.058 8.024 -3.219 690 HG22 THR 90 HG22 THR 90 90.452 9.537 -2.543 691 HG23 THR 90 HG23 THR 90 89.325 8.252 -2.983 692 H VAL 91 HN VAL 91 92.133 4.762 -1.260 693 HA VAL 91 HA VAL 91 92.447 4.670 1.684 694 HB VAL 91 HB VAL 91 92.282 2.331 -0.225 695 HG11 VAL 91 HG11 VAL 91 94.125 1.776 1.154 696 HG12 VAL 91 HG12 VAL 91 92.750 1.013 1.946 697 HG13 VAL 91 HG13 VAL 91 93.399 2.526 2.576 698 HG21 VAL 91 HG21 VAL 91 90.134 3.082 0.591 699 HG22 VAL 91 HG22 VAL 91 90.740 3.167 2.246 700 HG23 VAL 91 HG23 VAL 91 90.556 1.604 1.452 701 H ARG 92 HN ARG 92 94.473 5.288 2.164 702 HA ARG 92 HA ARG 92 96.537 5.257 0.137 703 HB2 ARG 92 HB2 ARG 92 96.472 6.218 3.007 704 HB3 ARG 92 HB1 ARG 92 97.934 6.241 2.026 705 HG2 ARG 92 HG2 ARG 92 97.190 8.365 1.522 706 HG3 ARG 92 HG1 ARG 92 96.272 7.504 0.294 707 HD2 ARG 92 HD2 ARG 92 94.811 9.041 1.509 708 HD3 ARG 92 HD1 ARG 92 94.342 7.378 1.846 709 HE ARG 92 HE ARG 92 94.908 7.736 4.061 710 HH11 ARG 92 HH21 ARG 92 96.197 10.262 2.062 711 HH12 ARG 92 HH22 ARG 92 96.879 11.141 3.389 712 HH21 ARG 92 HH11 ARG 92 95.908 8.830 5.778 713 HH22 ARG 92 HH12 ARG 92 96.736 10.322 5.483 714 H GLY 93 HN GLY 93 98.799 4.607 0.950 715 HA2 GLY 93 HA2 GLY 93 98.661 1.777 1.619 716 HA3 GLY 93 HA1 GLY 93 100.086 2.673 1.101 717 H GLY 94 HN GLY 94 100.994 1.345 2.967 718 HA2 GLY 94 HA2 GLY 94 101.217 3.070 5.281 719 HA3 GLY 94 HA1 GLY 94 100.444 1.525 5.617 720 H LEU 95 HN LEU 95 102.207 0.961 7.005 721 HA LEU 95 HA LEU 95 104.499 -0.168 5.549 722 HB2 LEU 95 HB2 LEU 95 105.292 2.004 6.340 723 HB3 LEU 95 HB1 LEU 95 104.736 1.641 7.971 724 HG LEU 95 HG LEU 95 106.339 -0.218 8.126 725 HD11 LEU 95 HD11 LEU 95 106.827 0.507 5.237 726 HD12 LEU 95 HD12 LEU 95 106.595 -1.087 5.953 727 HD13 LEU 95 HD13 LEU 95 108.117 -0.232 6.188 728 HD21 LEU 95 HD21 LEU 95 107.152 1.928 8.854 729 HD22 LEU 95 HD22 LEU 95 107.452 2.437 7.192 730 HD23 LEU 95 HD23 LEU 95 108.448 1.178 7.918 731 H GLU 96 HN GLU 96 103.668 -2.209 5.919 732 HA GLU 96 HA GLU 96 102.988 -3.074 8.611 733 HB2 GLU 96 HB2 GLU 96 102.431 -5.208 7.524 734 HB3 GLU 96 HB1 GLU 96 101.668 -3.853 6.696 735 HG2 GLU 96 HG2 GLU 96 103.535 -3.864 5.038 736 HG3 GLU 96 HG1 GLU 96 104.188 -5.298 5.830 737 H HIS 97 HN HIS 97 104.224 -4.261 9.957 738 HA HIS 97 HA HIS 97 106.839 -5.282 8.984 739 HB2 HIS 97 HB2 HIS 97 106.222 -3.833 11.573 740 HB3 HIS 97 HB1 HIS 97 107.664 -4.822 11.353 741 HD1 HIS 97 HD1 HIS 97 109.246 -4.101 9.279 742 HD2 HIS 97 HD2 HIS 97 106.460 -1.256 10.520 743 HE1 HIS 97 HE1 HIS 97 110.000 -1.890 8.304 744 H HIS 98 HN HIS 98 103.913 -6.192 9.820 745 HA HIS 98 HA HIS 98 104.772 -8.539 11.436 746 HB2 HIS 98 HB2 HIS 98 102.075 -7.175 11.256 747 HB3 HIS 98 HB1 HIS 98 102.400 -8.659 12.152 748 HD1 HIS 98 HD1 HIS 98 103.586 -8.463 14.390 749 HD2 HIS 98 HD2 HIS 98 103.348 -4.822 12.375 750 HE1 HIS 98 HE1 HIS 98 104.284 -6.681 16.047 751 H HIS 99 HN HIS 99 104.337 -10.535 10.671 752 HA HIS 99 HA HIS 99 103.331 -10.767 7.933 753 HB2 HIS 99 HB2 HIS 99 104.565 -12.783 9.825 754 HB3 HIS 99 HB1 HIS 99 104.070 -13.134 8.167 755 HD1 HIS 99 HD1 HIS 99 105.337 -11.732 6.257 756 HD2 HIS 99 HD2 HIS 99 107.040 -11.530 10.055 757 HE1 HIS 99 HE1 HIS 99 107.678 -10.812 5.945 758 H HIS 100 HN HIS 100 101.974 -12.866 7.586 759 HA HIS 100 HA HIS 100 99.820 -12.984 9.634 760 HB2 HIS 100 HB2 HIS 100 99.165 -11.737 7.564 761 HB3 HIS 100 HB1 HIS 100 99.477 -13.202 6.635 762 HD1 HIS 100 HD1 HIS 100 97.240 -11.899 9.402 763 HD2 HIS 100 HD2 HIS 100 97.451 -15.123 6.766 764 HE1 HIS 100 HE1 HIS 100 95.035 -13.132 9.600 765 H HIS 101 HN HIS 101 99.645 -14.945 10.484 766 HA HIS 101 HA HIS 101 100.023 -17.205 10.826 767 HB2 HIS 101 HB2 HIS 101 97.947 -17.199 9.490 768 HB3 HIS 101 HB1 HIS 101 98.905 -17.270 8.013 769 HD1 HIS 101 HD1 HIS 101 98.288 -19.308 11.172 770 HD2 HIS 101 HD2 HIS 101 99.681 -19.829 7.276 771 HE1 HIS 101 HE1 HIS 101 98.616 -21.800 10.855 772 H HIS 102 HN HIS 102 102.249 -15.659 9.603 773 HA HIS 102 HA HIS 102 104.282 -15.989 8.564 774 HB2 HIS 102 HB2 HIS 102 103.873 -18.770 9.679 775 HB3 HIS 102 HB1 HIS 102 105.415 -18.033 9.245 776 HD1 HIS 102 HD1 HIS 102 105.684 -15.509 10.557 777 HD2 HIS 102 HD2 HIS 102 103.382 -18.480 12.357 778 HE1 HIS 102 HE1 HIS 102 105.503 -14.889 13.006 Start of MODEL 10 1 H1 THR 1 HT1 THR 1 53.476 -0.021 -1.462 2 H2 THR 1 HT2 THR 1 54.638 0.380 -0.287 3 H3 THR 1 HT3 THR 1 55.093 -0.484 -1.677 4 HA THR 1 HA THR 1 55.800 1.750 -1.985 5 HB THR 1 HB THR 1 53.219 1.242 -3.498 6 HG1 THR 1 HG1 THR 1 54.564 -0.477 -3.785 7 HG21 THR 1 HG21 THR 1 54.473 2.567 -5.276 8 HG22 THR 1 HG22 THR 1 55.609 3.022 -4.004 9 HG23 THR 1 HG23 THR 1 53.916 3.494 -3.884 10 H ALA 2 HN ALA 2 55.651 3.769 -1.177 11 HA ALA 2 HA ALA 2 53.081 5.039 -0.726 12 HB1 ALA 2 HB1 ALA 2 53.362 5.394 1.650 13 HB2 ALA 2 HB2 ALA 2 54.918 4.563 1.632 14 HB3 ALA 2 HB3 ALA 2 53.434 3.659 1.336 15 H LYS 3 HN LYS 3 56.591 5.107 -0.325 16 HA LYS 3 HA LYS 3 56.802 7.694 -1.517 17 HB2 LYS 3 HB2 LYS 3 57.867 8.739 0.579 18 HB3 LYS 3 HB1 LYS 3 56.107 8.628 0.547 19 HG2 LYS 3 HG2 LYS 3 56.071 6.811 2.055 20 HG3 LYS 3 HG1 LYS 3 57.768 6.426 1.775 21 HD2 LYS 3 HD2 LYS 3 57.280 7.575 3.990 22 HD3 LYS 3 HD1 LYS 3 58.500 8.368 2.995 23 HE2 LYS 3 HE2 LYS 3 56.968 10.057 2.290 24 HE3 LYS 3 HE1 LYS 3 55.582 9.159 2.909 25 HZ1 LYS 3 HZ1 LYS 3 57.435 10.877 4.298 26 HZ2 LYS 3 HZ2 LYS 3 57.134 9.406 5.094 27 HZ3 LYS 3 HZ3 LYS 3 55.846 10.443 4.704 28 H ASN 4 HN ASN 4 58.860 8.066 -2.248 29 HA ASN 4 HA ASN 4 61.084 6.533 -1.120 30 HB2 ASN 4 HB2 ASN 4 61.846 5.766 -3.258 31 HB3 ASN 4 HB1 ASN 4 60.175 5.253 -3.085 32 HD21 ASN 4 HD21 ASN 4 61.667 5.741 -5.613 33 HD22 ASN 4 HD22 ASN 4 60.786 6.933 -6.440 34 H THR 5 HN THR 5 62.424 8.143 -0.466 35 HA THR 5 HA THR 5 63.262 10.119 -2.428 36 HB THR 5 HB THR 5 61.490 10.860 -0.099 37 HG1 THR 5 HG1 THR 5 60.848 10.469 -2.417 38 HG21 THR 5 HG21 THR 5 62.121 13.273 -0.874 39 HG22 THR 5 HG22 THR 5 63.587 12.515 -1.493 40 HG23 THR 5 HG23 THR 5 63.205 12.427 0.227 41 H VAL 6 HN VAL 6 65.336 9.822 -2.155 42 HA VAL 6 HA VAL 6 66.699 9.087 0.168 43 HB VAL 6 HB VAL 6 67.702 8.969 -2.081 44 HG11 VAL 6 HG11 VAL 6 68.423 10.872 -3.276 45 HG12 VAL 6 HG12 VAL 6 68.288 11.922 -1.866 46 HG13 VAL 6 HG13 VAL 6 66.833 11.344 -2.678 47 HG21 VAL 6 HG21 VAL 6 69.052 9.037 0.081 48 HG22 VAL 6 HG22 VAL 6 69.381 10.730 -0.287 49 HG23 VAL 6 HG23 VAL 6 69.934 9.464 -1.384 50 H VAL 7 HN VAL 7 67.189 10.076 1.977 51 HA VAL 7 HA VAL 7 66.779 12.964 2.256 52 HB VAL 7 HB VAL 7 67.508 10.849 4.304 53 HG11 VAL 7 HG11 VAL 7 68.226 13.021 5.074 54 HG12 VAL 7 HG12 VAL 7 66.722 12.634 5.909 55 HG13 VAL 7 HG13 VAL 7 66.712 13.762 4.554 56 HG21 VAL 7 HG21 VAL 7 64.864 12.149 3.581 57 HG22 VAL 7 HG22 VAL 7 65.121 11.133 5.000 58 HG23 VAL 7 HG23 VAL 7 65.288 10.451 3.383 59 H ARG 8 HN ARG 8 69.267 10.547 2.124 60 HA ARG 8 HA ARG 8 71.329 12.563 1.827 61 HB2 ARG 8 HB2 ARG 8 71.604 12.387 4.169 62 HB3 ARG 8 HB1 ARG 8 71.281 10.654 4.163 63 HG2 ARG 8 HG2 ARG 8 73.401 10.137 3.229 64 HG3 ARG 8 HG1 ARG 8 73.676 11.791 2.691 65 HD2 ARG 8 HD2 ARG 8 73.760 12.480 5.112 66 HD3 ARG 8 HD1 ARG 8 73.616 10.783 5.558 67 HE ARG 8 HE ARG 8 75.807 11.320 3.750 68 HH11 ARG 8 HH11 ARG 8 75.272 12.527 6.814 69 HH12 ARG 8 HH12 ARG 8 76.610 11.734 7.576 70 HH21 ARG 8 HH21 ARG 8 77.325 9.732 4.843 71 HH22 ARG 8 HH22 ARG 8 77.763 10.147 6.466 72 H GLY 9 HN GLY 9 72.566 11.940 0.197 73 HA2 GLY 9 HA2 GLY 9 72.534 9.171 -0.676 74 HA3 GLY 9 HA1 GLY 9 73.283 10.536 -1.516 75 H LEU 10 HN LEU 10 74.987 8.620 -1.501 76 HA LEU 10 HA LEU 10 76.449 8.237 0.911 77 HB2 LEU 10 HB2 LEU 10 77.127 7.755 -1.990 78 HB3 LEU 10 HB1 LEU 10 78.156 7.252 -0.647 79 HG LEU 10 HG LEU 10 75.226 6.496 -0.805 80 HD11 LEU 10 HD11 LEU 10 76.556 5.673 -2.808 81 HD12 LEU 10 HD12 LEU 10 75.831 4.405 -1.829 82 HD13 LEU 10 HD13 LEU 10 77.551 4.762 -1.680 83 HD21 LEU 10 HD21 LEU 10 77.580 5.670 0.885 84 HD22 LEU 10 HD22 LEU 10 76.288 4.515 0.599 85 HD23 LEU 10 HD23 LEU 10 75.934 6.049 1.379 86 H GLU 11 HN GLU 11 78.751 8.907 1.177 87 HA GLU 11 HA GLU 11 79.333 11.532 -0.052 88 HB2 GLU 11 HB2 GLU 11 79.462 10.840 2.898 89 HB3 GLU 11 HB1 GLU 11 80.098 12.318 2.176 90 HG2 GLU 11 HG2 GLU 11 77.843 12.903 1.367 91 HG3 GLU 11 HG1 GLU 11 77.205 11.417 2.069 92 H ASN 12 HN ASN 12 81.632 12.100 0.187 93 HA ASN 12 HA ASN 12 83.324 10.000 -0.569 94 HB2 ASN 12 HB2 ASN 12 84.055 12.663 0.677 95 HB3 ASN 12 HB1 ASN 12 85.155 11.608 -0.208 96 HD21 ASN 12 HD21 ASN 12 83.805 14.427 -0.759 97 HD22 ASN 12 HD22 ASN 12 83.304 14.269 -2.373 98 H VAL 13 HN VAL 13 84.743 8.718 0.553 99 HA VAL 13 HA VAL 13 84.860 8.941 3.498 100 HB VAL 13 HB VAL 13 84.045 6.495 1.922 101 HG11 VAL 13 HG11 VAL 13 85.675 5.549 3.330 102 HG12 VAL 13 HG12 VAL 13 84.205 5.393 4.293 103 HG13 VAL 13 HG13 VAL 13 85.349 6.693 4.632 104 HG21 VAL 13 HG21 VAL 13 82.200 7.873 2.693 105 HG22 VAL 13 HG22 VAL 13 82.901 7.984 4.306 106 HG23 VAL 13 HG23 VAL 13 82.274 6.442 3.723 107 H GLU 14 HN GLU 14 86.844 8.618 4.313 108 HA GLU 14 HA GLU 14 88.919 7.425 2.562 109 HB2 GLU 14 HB2 GLU 14 90.511 9.111 3.579 110 HB3 GLU 14 HB1 GLU 14 89.340 9.769 2.440 111 HG2 GLU 14 HG2 GLU 14 88.777 9.724 5.405 112 HG3 GLU 14 HG1 GLU 14 89.698 11.032 4.670 113 H ALA 15 HN ALA 15 90.304 6.039 3.532 114 HA ALA 15 HA ALA 15 90.391 5.884 6.465 115 HB1 ALA 15 HB1 ALA 15 90.134 3.332 6.196 116 HB2 ALA 15 HB2 ALA 15 89.446 3.693 4.610 117 HB3 ALA 15 HB3 ALA 15 88.672 4.308 6.070 118 H LEU 16 HN LEU 16 92.405 5.587 7.152 119 HA LEU 16 HA LEU 16 94.557 5.380 5.334 120 HB2 LEU 16 HB2 LEU 16 95.975 5.491 7.215 121 HB3 LEU 16 HB1 LEU 16 94.554 6.426 7.662 122 HG LEU 16 HG LEU 16 93.793 3.942 8.557 123 HD11 LEU 16 HD11 LEU 16 95.569 2.682 9.410 124 HD12 LEU 16 HD12 LEU 16 96.696 4.039 9.369 125 HD13 LEU 16 HD13 LEU 16 96.234 3.231 7.874 126 HD21 LEU 16 HD21 LEU 16 93.631 5.887 9.951 127 HD22 LEU 16 HD22 LEU 16 95.380 6.105 9.965 128 HD23 LEU 16 HD23 LEU 16 94.654 4.745 10.826 129 H GLU 17 HN GLU 17 96.187 3.698 5.300 130 HA GLU 17 HA GLU 17 95.367 1.283 4.411 131 HB2 GLU 17 HB2 GLU 17 97.679 2.139 4.326 132 HB3 GLU 17 HB1 GLU 17 97.872 1.762 6.036 133 HG2 GLU 17 HG2 GLU 17 97.023 -0.342 4.042 134 HG3 GLU 17 HG1 GLU 17 98.723 0.023 4.326 135 H GLY 18 HN GLY 18 94.483 -0.515 5.176 136 HA2 GLY 18 HA2 GLY 18 93.844 -2.198 6.603 137 HA3 GLY 18 HA1 GLY 18 95.028 -1.598 7.762 138 H GLY 19 HN GLY 19 92.369 0.288 6.415 139 HA2 GLY 19 HA2 GLY 19 91.210 0.510 9.141 140 HA3 GLY 19 HA1 GLY 19 91.081 1.738 7.882 141 H GLU 20 HN GLU 20 88.762 1.557 8.406 142 HA GLU 20 HA GLU 20 87.468 -0.565 6.794 143 HB2 GLU 20 HB2 GLU 20 85.611 -0.590 8.432 144 HB3 GLU 20 HB1 GLU 20 87.127 -1.114 9.159 145 HG2 GLU 20 HG2 GLU 20 86.038 1.714 9.351 146 HG3 GLU 20 HG1 GLU 20 85.834 0.482 10.593 147 H ALA 21 HN ALA 21 85.033 0.184 6.458 148 HA ALA 21 HA ALA 21 85.032 3.106 5.883 149 HB1 ALA 21 HB1 ALA 21 83.925 0.986 4.029 150 HB2 ALA 21 HB2 ALA 21 85.503 1.748 3.823 151 HB3 ALA 21 HB3 ALA 21 84.036 2.721 3.729 152 H LEU 22 HN LEU 22 83.250 4.160 6.495 153 HA LEU 22 HA LEU 22 80.883 2.566 7.322 154 HB2 LEU 22 HB2 LEU 22 81.579 5.307 8.388 155 HB3 LEU 22 HB1 LEU 22 80.447 4.133 9.046 156 HG LEU 22 HG LEU 22 82.398 4.118 10.440 157 HD11 LEU 22 HD11 LEU 22 82.942 1.663 8.818 158 HD12 LEU 22 HD12 LEU 22 81.329 1.875 9.501 159 HD13 LEU 22 HD13 LEU 22 82.737 1.849 10.558 160 HD21 LEU 22 HD21 LEU 22 84.568 4.267 9.748 161 HD22 LEU 22 HD22 LEU 22 83.856 4.916 8.274 162 HD23 LEU 22 HD23 LEU 22 84.327 3.220 8.355 163 H PHE 23 HN PHE 23 79.510 2.730 5.564 164 HA PHE 23 HA PHE 23 79.056 5.438 4.454 165 HB2 PHE 23 HB2 PHE 23 78.623 2.660 3.370 166 HB3 PHE 23 HB1 PHE 23 77.884 4.076 2.629 167 HD1 PHE 23 HD2 PHE 23 79.486 6.072 2.088 168 HD2 PHE 23 HD1 PHE 23 80.815 2.043 2.761 169 HE1 PHE 23 HE2 PHE 23 81.581 6.560 0.861 170 HE2 PHE 23 HE1 PHE 23 82.916 2.537 1.542 171 HZ PHE 23 HZ PHE 23 83.295 4.787 0.583 172 H GLU 24 HN GLU 24 77.564 6.347 5.734 173 HA GLU 24 HA GLU 24 75.129 4.853 6.464 174 HB2 GLU 24 HB2 GLU 24 76.343 7.448 7.414 175 HB3 GLU 24 HB1 GLU 24 74.717 6.936 7.872 176 HG2 GLU 24 HG2 GLU 24 75.568 4.923 8.889 177 HG3 GLU 24 HG1 GLU 24 77.196 5.252 8.294 178 H CYS 25 HN CYS 25 73.471 4.993 5.129 179 HA CYS 25 HA CYS 25 72.892 7.585 3.805 180 HB2 CYS 25 HB2 CYS 25 71.721 5.913 2.103 181 HB3 CYS 25 HB1 CYS 25 73.447 6.259 1.975 182 HG CYS 25 HG CYS 25 73.421 3.718 2.049 183 H GLN 26 HN GLN 26 70.948 8.398 4.239 184 HA GLN 26 HA GLN 26 68.950 6.683 5.614 185 HB2 GLN 26 HB2 GLN 26 69.395 9.684 5.670 186 HB3 GLN 26 HB1 GLN 26 68.011 8.874 6.404 187 HG2 GLN 26 HG2 GLN 26 69.451 7.630 7.895 188 HG3 GLN 26 HG1 GLN 26 70.893 8.234 7.084 189 HE21 GLN 26 HE21 GLN 26 71.852 9.616 8.590 190 HE22 GLN 26 HE22 GLN 26 71.040 10.873 9.392 191 H LEU 27 HN LEU 27 67.181 6.213 4.478 192 HA LEU 27 HA LEU 27 66.368 8.019 2.279 193 HB2 LEU 27 HB2 LEU 27 66.815 6.431 0.729 194 HB3 LEU 27 HB1 LEU 27 67.533 5.446 1.991 195 HG LEU 27 HG LEU 27 64.598 5.411 1.204 196 HD11 LEU 27 HD11 LEU 27 66.125 4.515 -0.528 197 HD12 LEU 27 HD12 LEU 27 65.132 3.244 0.185 198 HD13 LEU 27 HD13 LEU 27 66.822 3.419 0.668 199 HD21 LEU 27 HD21 LEU 27 65.442 3.055 2.635 200 HD22 LEU 27 HD22 LEU 27 64.253 4.254 3.120 201 HD23 LEU 27 HD23 LEU 27 65.941 4.458 3.579 202 H SER 28 HN SER 28 64.169 8.138 1.856 203 HA SER 28 HA SER 28 62.461 7.285 4.095 204 HB2 SER 28 HB2 SER 28 61.780 9.151 1.812 205 HB3 SER 28 HB1 SER 28 60.917 8.959 3.337 206 HG SER 28 HG SER 28 62.223 10.720 3.583 207 H GLN 29 HN GLN 29 62.206 5.119 3.554 208 HA GLN 29 HA GLN 29 60.101 4.439 1.780 209 HB2 GLN 29 HB2 GLN 29 61.969 4.835 0.160 210 HB3 GLN 29 HB1 GLN 29 62.893 3.581 0.966 211 HG2 GLN 29 HG2 GLN 29 61.738 2.800 -1.097 212 HG3 GLN 29 HG1 GLN 29 61.267 1.901 0.343 213 HE21 GLN 29 HE21 GLN 29 59.098 2.375 1.254 214 HE22 GLN 29 HE22 GLN 29 57.906 3.090 0.280 215 HA PRO 30 HA PRO 30 60.935 1.503 5.234 216 HB2 PRO 30 HB2 PRO 30 58.165 0.655 5.189 217 HB3 PRO 30 HB1 PRO 30 58.998 1.617 6.417 218 HG2 PRO 30 HG2 PRO 30 57.039 2.526 4.610 219 HG3 PRO 30 HG1 PRO 30 58.050 3.519 5.670 220 HD2 PRO 30 HD2 PRO 30 58.255 3.135 2.754 221 HD3 PRO 30 HD1 PRO 30 58.980 4.391 3.777 222 H GLU 31 HN GLU 31 59.497 0.956 2.136 223 HA GLU 31 HA GLU 31 60.658 -1.731 2.070 224 HB2 GLU 31 HB2 GLU 31 58.327 -2.035 2.892 225 HB3 GLU 31 HB1 GLU 31 57.737 -1.239 1.433 226 HG2 GLU 31 HG2 GLU 31 58.799 -2.976 0.045 227 HG3 GLU 31 HG1 GLU 31 59.411 -3.767 1.498 228 H VAL 32 HN VAL 32 61.496 -2.161 0.105 229 HA VAL 32 HA VAL 32 60.647 -0.482 -2.187 230 HB VAL 32 HB VAL 32 62.708 0.468 -1.542 231 HG11 VAL 32 HG11 VAL 32 64.739 -1.052 -1.195 232 HG12 VAL 32 HG12 VAL 32 63.590 -2.385 -1.091 233 HG13 VAL 32 HG13 VAL 32 63.519 -1.069 0.077 234 HG21 VAL 32 HG21 VAL 32 64.117 0.044 -3.415 235 HG22 VAL 32 HG22 VAL 32 62.484 -0.310 -3.980 236 HG23 VAL 32 HG23 VAL 32 63.572 -1.627 -3.544 237 H ALA 33 HN ALA 33 59.964 -1.607 -3.816 238 HA ALA 33 HA ALA 33 60.183 -4.467 -3.893 239 HB1 ALA 33 HB1 ALA 33 59.005 -2.587 -5.945 240 HB2 ALA 33 HB2 ALA 33 58.132 -3.221 -4.550 241 HB3 ALA 33 HB3 ALA 33 58.704 -4.318 -5.807 242 H ALA 34 HN ALA 34 62.406 -2.188 -4.792 243 HA ALA 34 HA ALA 34 63.773 -4.069 -6.501 244 HB1 ALA 34 HB1 ALA 34 63.941 -2.694 -8.463 245 HB2 ALA 34 HB2 ALA 34 63.093 -1.362 -7.672 246 HB3 ALA 34 HB3 ALA 34 62.226 -2.844 -8.082 247 H HIS 35 HN HIS 35 65.751 -4.020 -5.684 248 HA HIS 35 HA HIS 35 67.165 -1.489 -5.403 249 HB2 HIS 35 HB2 HIS 35 67.866 -2.098 -3.044 250 HB3 HIS 35 HB1 HIS 35 66.193 -1.570 -3.220 251 HD1 HIS 35 HD1 HIS 35 64.333 -3.422 -3.111 252 HD2 HIS 35 HD2 HIS 35 68.178 -4.800 -2.274 253 HE1 HIS 35 HE1 HIS 35 64.058 -5.708 -2.065 254 H THR 36 HN THR 36 69.210 -1.728 -6.025 255 HA THR 36 HA THR 36 70.536 -4.361 -5.762 256 HB THR 36 HB THR 36 71.579 -3.835 -8.048 257 HG1 THR 36 HG1 THR 36 69.560 -1.920 -7.841 258 HG21 THR 36 HG21 THR 36 68.692 -4.611 -7.639 259 HG22 THR 36 HG22 THR 36 70.081 -5.662 -7.922 260 HG23 THR 36 HG23 THR 36 69.447 -4.665 -9.232 261 H TRP 37 HN TRP 37 72.549 -4.222 -4.971 262 HA TRP 37 HA TRP 37 73.879 -1.561 -4.907 263 HB2 TRP 37 HB2 TRP 37 72.904 -2.497 -2.712 264 HB3 TRP 37 HB1 TRP 37 74.187 -3.693 -2.793 265 HD1 TRP 37 HD1 TRP 37 76.606 -1.887 -3.759 266 HE1 TRP 37 HE1 TRP 37 77.580 -0.101 -2.204 267 HE3 TRP 37 HE3 TRP 37 72.647 -1.205 -0.587 268 HZ2 TRP 37 HZ2 TRP 37 76.815 1.421 0.081 269 HZ3 TRP 37 HZ3 TRP 37 72.807 0.430 1.262 270 HH2 TRP 37 HH2 TRP 37 74.883 1.745 1.605 271 H LEU 38 HN LEU 38 75.551 -1.601 -6.190 272 HA LEU 38 HA LEU 38 77.418 -3.905 -6.122 273 HB2 LEU 38 HB2 LEU 38 76.424 -2.552 -8.635 274 HB3 LEU 38 HB1 LEU 38 77.755 -3.702 -8.572 275 HG LEU 38 HG LEU 38 74.937 -4.323 -7.628 276 HD11 LEU 38 HD11 LEU 38 75.268 -3.863 -10.151 277 HD12 LEU 38 HD12 LEU 38 74.562 -5.418 -9.713 278 HD13 LEU 38 HD13 LEU 38 76.264 -5.320 -10.161 279 HD21 LEU 38 HD21 LEU 38 75.985 -6.727 -8.048 280 HD22 LEU 38 HD22 LEU 38 76.331 -5.881 -6.545 281 HD23 LEU 38 HD23 LEU 38 77.521 -5.883 -7.848 282 H LEU 39 HN LEU 39 79.293 -3.189 -5.421 283 HA LEU 39 HA LEU 39 80.154 -0.437 -6.095 284 HB2 LEU 39 HB2 LEU 39 82.113 -1.366 -4.427 285 HB3 LEU 39 HB1 LEU 39 80.664 -0.569 -3.855 286 HG LEU 39 HG LEU 39 79.565 -2.749 -3.556 287 HD11 LEU 39 HD11 LEU 39 82.295 -3.921 -4.207 288 HD12 LEU 39 HD12 LEU 39 80.896 -4.008 -5.280 289 HD13 LEU 39 HD13 LEU 39 80.861 -4.817 -3.716 290 HD21 LEU 39 HD21 LEU 39 82.268 -2.684 -2.203 291 HD22 LEU 39 HD22 LEU 39 80.769 -3.352 -1.570 292 HD23 LEU 39 HD23 LEU 39 80.938 -1.611 -1.767 293 H ASP 40 HN ASP 40 82.671 -2.653 -5.412 294 HA ASP 40 HA ASP 40 83.787 -2.434 -7.974 295 HB2 ASP 40 HB2 ASP 40 85.083 -3.171 -5.959 296 HB3 ASP 40 HB1 ASP 40 84.173 -4.681 -5.957 297 H ASP 41 HN ASP 41 83.899 -4.320 -9.482 298 HA ASP 41 HA ASP 41 81.306 -5.089 -10.212 299 HB2 ASP 41 HB2 ASP 41 84.015 -5.997 -11.176 300 HB3 ASP 41 HB1 ASP 41 82.503 -6.537 -11.905 301 H GLU 42 HN GLU 42 81.784 -6.023 -7.532 302 HA GLU 42 HA GLU 42 81.328 -8.912 -8.008 303 HB2 GLU 42 HB2 GLU 42 83.105 -7.683 -5.891 304 HB3 GLU 42 HB1 GLU 42 82.440 -9.309 -5.727 305 HG2 GLU 42 HG2 GLU 42 83.577 -10.078 -7.679 306 HG3 GLU 42 HG1 GLU 42 83.973 -8.437 -8.186 307 HA PRO 43 HA PRO 43 77.560 -7.996 -5.841 308 HB2 PRO 43 HB2 PRO 43 77.526 -10.501 -4.357 309 HB3 PRO 43 HB1 PRO 43 76.550 -10.056 -5.764 310 HG2 PRO 43 HG2 PRO 43 78.868 -11.797 -5.632 311 HG3 PRO 43 HG1 PRO 43 77.754 -11.532 -6.979 312 HD2 PRO 43 HD2 PRO 43 80.422 -10.658 -6.867 313 HD3 PRO 43 HD1 PRO 43 79.193 -10.071 -8.007 314 H VAL 44 HN VAL 44 77.297 -6.828 -3.989 315 HA VAL 44 HA VAL 44 79.486 -6.851 -2.094 316 HB VAL 44 HB VAL 44 78.638 -4.766 -2.953 317 HG11 VAL 44 HG11 VAL 44 76.454 -3.997 -2.714 318 HG12 VAL 44 HG12 VAL 44 76.075 -5.118 -1.416 319 HG13 VAL 44 HG13 VAL 44 76.205 -5.701 -3.076 320 HG21 VAL 44 HG21 VAL 44 79.545 -5.028 -0.592 321 HG22 VAL 44 HG22 VAL 44 77.879 -4.976 -0.049 322 HG23 VAL 44 HG23 VAL 44 78.562 -3.596 -0.887 323 H ARG 45 HN ARG 45 79.155 -8.875 -1.161 324 HA ARG 45 HA ARG 45 77.521 -8.716 1.232 325 HB2 ARG 45 HB2 ARG 45 77.236 -11.000 -0.743 326 HB3 ARG 45 HB1 ARG 45 76.705 -11.079 0.938 327 HG2 ARG 45 HG2 ARG 45 75.356 -8.956 0.477 328 HG3 ARG 45 HG1 ARG 45 75.694 -9.231 -1.233 329 HD2 ARG 45 HD2 ARG 45 74.390 -11.245 0.605 330 HD3 ARG 45 HD1 ARG 45 73.511 -10.180 -0.485 331 HE ARG 45 HE ARG 45 75.140 -12.492 -1.249 332 HH11 ARG 45 HH11 ARG 45 75.611 -10.061 -3.072 333 HH12 ARG 45 HH12 ARG 45 74.470 -10.365 -4.339 334 HH21 ARG 45 HH21 ARG 45 72.677 -12.724 -2.516 335 HH22 ARG 45 HH22 ARG 45 72.796 -11.872 -4.019 336 H THR 46 HN THR 46 79.014 -11.528 -0.226 337 HA THR 46 HA THR 46 80.856 -12.768 0.362 338 HB THR 46 HB THR 46 82.861 -11.580 0.486 339 HG1 THR 46 HG1 THR 46 81.651 -9.272 1.512 340 HG21 THR 46 HG21 THR 46 81.116 -9.330 -0.480 341 HG22 THR 46 HG22 THR 46 81.223 -10.835 -1.395 342 HG23 THR 46 HG23 THR 46 82.670 -9.873 -1.102 343 H SER 47 HN SER 47 82.549 -11.418 2.775 344 HA SER 47 HA SER 47 80.877 -12.527 4.967 345 HB2 SER 47 HB2 SER 47 82.587 -14.176 4.064 346 HB3 SER 47 HB1 SER 47 83.825 -13.096 4.700 347 HG SER 47 HG SER 47 81.917 -13.485 6.543 348 H GLU 48 HN GLU 48 83.326 -12.340 6.732 349 HA GLU 48 HA GLU 48 82.786 -9.891 7.944 350 HB2 GLU 48 HB2 GLU 48 85.309 -11.563 8.034 351 HB3 GLU 48 HB1 GLU 48 84.999 -10.189 9.097 352 HG2 GLU 48 HG2 GLU 48 83.160 -12.587 8.857 353 HG3 GLU 48 HG1 GLU 48 84.391 -12.421 10.104 354 H ASN 49 HN ASN 49 85.295 -10.707 5.583 355 HA ASN 49 HA ASN 49 86.598 -8.203 5.584 356 HB2 ASN 49 HB2 ASN 49 87.660 -8.900 3.539 357 HB3 ASN 49 HB1 ASN 49 87.535 -10.298 4.602 358 HD21 ASN 49 HD21 ASN 49 87.745 -11.519 2.444 359 HD22 ASN 49 HD22 ASN 49 86.332 -11.772 1.538 360 H ALA 50 HN ALA 50 83.459 -8.648 4.872 361 HA ALA 50 HA ALA 50 82.897 -6.149 3.865 362 HB1 ALA 50 HB1 ALA 50 82.366 -6.916 1.391 363 HB2 ALA 50 HB2 ALA 50 83.624 -8.113 1.710 364 HB3 ALA 50 HB3 ALA 50 83.994 -6.391 1.815 365 H GLU 51 HN GLU 51 80.665 -5.868 3.947 366 HA GLU 51 HA GLU 51 78.717 -7.679 3.095 367 HB2 GLU 51 HB2 GLU 51 79.499 -9.180 4.906 368 HB3 GLU 51 HB1 GLU 51 79.197 -7.907 6.084 369 HG2 GLU 51 HG2 GLU 51 76.794 -7.920 5.476 370 HG3 GLU 51 HG1 GLU 51 77.107 -9.180 4.285 371 H VAL 52 HN VAL 52 76.557 -6.797 3.325 372 HA VAL 52 HA VAL 52 76.512 -4.098 4.517 373 HB VAL 52 HB VAL 52 74.343 -5.360 2.835 374 HG11 VAL 52 HG11 VAL 52 74.066 -2.971 2.130 375 HG12 VAL 52 HG12 VAL 52 75.324 -2.526 3.282 376 HG13 VAL 52 HG13 VAL 52 73.810 -3.225 3.856 377 HG21 VAL 52 HG21 VAL 52 76.344 -5.735 1.545 378 HG22 VAL 52 HG22 VAL 52 76.923 -4.106 1.885 379 HG23 VAL 52 HG23 VAL 52 75.514 -4.340 0.855 380 H VAL 53 HN VAL 53 74.527 -3.492 5.739 381 HA VAL 53 HA VAL 53 73.053 -5.757 6.931 382 HB VAL 53 HB VAL 53 73.255 -4.597 9.188 383 HG11 VAL 53 HG11 VAL 53 75.471 -5.605 9.651 384 HG12 VAL 53 HG12 VAL 53 75.741 -5.776 7.915 385 HG13 VAL 53 HG13 VAL 53 74.442 -6.675 8.702 386 HG21 VAL 53 HG21 VAL 53 75.618 -3.284 7.816 387 HG22 VAL 53 HG22 VAL 53 75.174 -3.130 9.514 388 HG23 VAL 53 HG23 VAL 53 74.130 -2.450 8.266 389 H PHE 54 HN PHE 54 71.040 -5.241 7.755 390 HA PHE 54 HA PHE 54 69.907 -2.666 6.804 391 HB2 PHE 54 HB2 PHE 54 68.911 -5.472 6.885 392 HB3 PHE 54 HB1 PHE 54 67.716 -4.223 7.215 393 HD1 PHE 54 HD1 PHE 54 70.400 -5.154 4.766 394 HD2 PHE 54 HD2 PHE 54 66.691 -3.089 5.450 395 HE1 PHE 54 HE1 PHE 54 70.212 -4.689 2.336 396 HE2 PHE 54 HE2 PHE 54 66.508 -2.619 3.020 397 HZ PHE 54 HZ PHE 54 68.268 -3.419 1.464 398 H PHE 55 HN PHE 55 68.570 -1.479 8.079 399 HA PHE 55 HA PHE 55 68.108 -2.311 10.864 400 HB2 PHE 55 HB2 PHE 55 69.462 0.254 10.006 401 HB3 PHE 55 HB1 PHE 55 68.767 0.003 11.605 402 HD1 PHE 55 HD2 PHE 55 69.487 -2.250 12.798 403 HD2 PHE 55 HD1 PHE 55 71.713 -0.306 9.681 404 HE1 PHE 55 HE2 PHE 55 71.538 -3.436 13.525 405 HE2 PHE 55 HE1 PHE 55 73.765 -1.493 10.408 406 HZ PHE 55 HZ PHE 55 73.679 -3.056 12.331 407 H GLU 56 HN GLU 56 66.292 -1.354 11.799 408 HA GLU 56 HA GLU 56 64.133 -0.568 11.735 409 HB2 GLU 56 HB2 GLU 56 65.766 1.565 10.399 410 HB3 GLU 56 HB1 GLU 56 64.035 1.786 10.670 411 HG2 GLU 56 HG2 GLU 56 64.341 1.452 13.067 412 HG3 GLU 56 HG1 GLU 56 66.045 1.077 12.831 413 H ASN 57 HN ASN 57 64.750 -2.448 9.683 414 HA ASN 57 HA ASN 57 63.757 -3.397 7.856 415 HB2 ASN 57 HB2 ASN 57 61.674 -1.227 8.125 416 HB3 ASN 57 HB1 ASN 57 61.488 -2.807 7.369 417 HD21 ASN 57 HD21 ASN 57 63.082 -4.164 9.528 418 HD22 ASN 57 HD22 ASN 57 62.046 -4.227 10.870 419 H GLY 58 HN GLY 58 65.811 -1.497 7.272 420 HA2 GLY 58 HA2 GLY 58 66.694 -0.862 5.177 421 HA3 GLY 58 HA1 GLY 58 65.075 -0.927 4.496 422 H LEU 59 HN LEU 59 64.911 0.824 7.320 423 HA LEU 59 HA LEU 59 64.472 3.280 5.964 424 HB2 LEU 59 HB2 LEU 59 63.687 2.435 8.335 425 HB3 LEU 59 HB1 LEU 59 65.207 3.139 8.871 426 HG LEU 59 HG LEU 59 64.413 5.242 7.479 427 HD11 LEU 59 HD11 LEU 59 61.717 4.118 8.254 428 HD12 LEU 59 HD12 LEU 59 62.383 3.882 6.643 429 HD13 LEU 59 HD13 LEU 59 62.071 5.510 7.235 430 HD21 LEU 59 HD21 LEU 59 64.741 5.257 9.909 431 HD22 LEU 59 HD22 LEU 59 63.176 4.479 10.147 432 HD23 LEU 59 HD23 LEU 59 63.259 6.116 9.496 433 H ARG 60 HN ARG 60 67.195 1.680 7.294 434 HA ARG 60 HA ARG 60 69.007 3.800 6.341 435 HB2 ARG 60 HB2 ARG 60 69.131 2.491 9.072 436 HB3 ARG 60 HB1 ARG 60 70.440 3.434 8.366 437 HG2 ARG 60 HG2 ARG 60 68.987 5.398 8.238 438 HG3 ARG 60 HG1 ARG 60 67.638 4.467 8.887 439 HD2 ARG 60 HD2 ARG 60 68.668 5.737 10.698 440 HD3 ARG 60 HD1 ARG 60 68.986 4.021 10.939 441 HE ARG 60 HE ARG 60 71.082 5.277 9.449 442 HH11 ARG 60 HH11 ARG 60 70.662 3.463 12.142 443 HH12 ARG 60 HH12 ARG 60 71.765 4.322 13.164 444 HH21 ARG 60 HH21 ARG 60 72.127 6.987 10.982 445 HH22 ARG 60 HH22 ARG 60 72.589 6.316 12.510 446 H HIS 61 HN HIS 61 71.055 2.996 5.684 447 HA HIS 61 HA HIS 61 71.415 0.061 5.758 448 HB2 HIS 61 HB2 HIS 61 71.740 1.728 3.251 449 HB3 HIS 61 HB1 HIS 61 72.072 0.006 3.420 450 HD1 HIS 61 HD1 HIS 61 69.321 2.416 2.859 451 HD2 HIS 61 HD2 HIS 61 69.702 -1.619 3.831 452 HE1 HIS 61 HE1 HIS 61 67.055 1.361 2.443 453 H LEU 62 HN LEU 62 73.352 -0.399 6.537 454 HA LEU 62 HA LEU 62 75.556 1.582 6.219 455 HB2 LEU 62 HB2 LEU 62 74.707 -0.127 8.537 456 HB3 LEU 62 HB1 LEU 62 76.421 0.228 8.352 457 HG LEU 62 HG LEU 62 75.942 2.643 8.362 458 HD11 LEU 62 HD11 LEU 62 73.500 3.224 9.124 459 HD12 LEU 62 HD12 LEU 62 73.093 1.663 8.411 460 HD13 LEU 62 HD13 LEU 62 73.821 2.926 7.418 461 HD21 LEU 62 HD21 LEU 62 76.377 1.674 10.526 462 HD22 LEU 62 HD22 LEU 62 74.736 1.037 10.636 463 HD23 LEU 62 HD23 LEU 62 75.013 2.776 10.727 464 H LEU 63 HN LEU 63 77.280 0.931 5.106 465 HA LEU 63 HA LEU 63 77.684 -1.974 4.580 466 HB2 LEU 63 HB2 LEU 63 77.190 -0.465 2.609 467 HB3 LEU 63 HB1 LEU 63 78.691 0.379 2.957 468 HG LEU 63 HG LEU 63 78.556 -2.607 2.477 469 HD11 LEU 63 HD11 LEU 63 77.823 -1.752 0.413 470 HD12 LEU 63 HD12 LEU 63 79.570 -1.867 0.188 471 HD13 LEU 63 HD13 LEU 63 78.832 -0.310 0.544 472 HD21 LEU 63 HD21 LEU 63 81.047 -1.954 1.748 473 HD22 LEU 63 HD22 LEU 63 80.649 -2.269 3.428 474 HD23 LEU 63 HD23 LEU 63 80.770 -0.607 2.854 475 H LEU 64 HN LEU 64 79.324 -2.760 5.906 476 HA LEU 64 HA LEU 64 81.495 -0.924 6.630 477 HB2 LEU 64 HB2 LEU 64 80.160 -2.007 8.423 478 HB3 LEU 64 HB1 LEU 64 80.674 -3.578 7.820 479 HG LEU 64 HG LEU 64 83.050 -2.915 8.216 480 HD11 LEU 64 HD11 LEU 64 83.180 -0.881 9.913 481 HD12 LEU 64 HD12 LEU 64 81.697 -0.382 9.102 482 HD13 LEU 64 HD13 LEU 64 83.185 -0.587 8.177 483 HD21 LEU 64 HD21 LEU 64 81.233 -2.666 10.636 484 HD22 LEU 64 HD22 LEU 64 82.935 -3.130 10.663 485 HD23 LEU 64 HD23 LEU 64 81.744 -4.185 9.901 486 H LEU 65 HN LEU 65 83.500 -1.222 5.941 487 HA LEU 65 HA LEU 65 84.207 -3.737 4.536 488 HB2 LEU 65 HB2 LEU 65 85.399 -0.962 4.240 489 HB3 LEU 65 HB1 LEU 65 85.993 -2.409 3.429 490 HG LEU 65 HG LEU 65 83.228 -1.193 3.097 491 HD11 LEU 65 HD11 LEU 65 84.019 -0.728 0.793 492 HD12 LEU 65 HD12 LEU 65 85.605 -1.370 1.219 493 HD13 LEU 65 HD13 LEU 65 85.010 0.099 1.995 494 HD21 LEU 65 HD21 LEU 65 82.822 -3.457 2.698 495 HD22 LEU 65 HD22 LEU 65 84.471 -3.770 2.156 496 HD23 LEU 65 HD23 LEU 65 83.332 -2.945 1.093 497 H LYS 66 HN LYS 66 86.729 -4.083 4.703 498 HA LYS 66 HA LYS 66 87.827 -3.303 7.278 499 HB2 LYS 66 HB2 LYS 66 87.095 -6.166 6.650 500 HB3 LYS 66 HB1 LYS 66 88.322 -5.741 7.844 501 HG2 LYS 66 HG2 LYS 66 86.642 -4.358 9.050 502 HG3 LYS 66 HG1 LYS 66 85.417 -4.856 7.882 503 HD2 LYS 66 HD2 LYS 66 85.776 -7.220 8.514 504 HD3 LYS 66 HD1 LYS 66 86.984 -6.711 9.694 505 HE2 LYS 66 HE2 LYS 66 84.145 -5.671 9.742 506 HE3 LYS 66 HE1 LYS 66 84.635 -7.122 10.616 507 HZ1 LYS 66 HZ1 LYS 66 85.268 -4.334 11.145 508 HZ2 LYS 66 HZ2 LYS 66 86.544 -5.435 11.365 509 HZ3 LYS 66 HZ3 LYS 66 85.089 -5.632 12.223 510 H ASN 67 HN ASN 67 90.063 -4.116 7.538 511 HA ASN 67 HA ASN 67 92.222 -3.906 6.634 512 HB2 ASN 67 HB2 ASN 67 91.015 -6.364 5.365 513 HB3 ASN 67 HB1 ASN 67 92.724 -5.961 5.230 514 HD21 ASN 67 HD21 ASN 67 91.883 -8.348 6.570 515 HD22 ASN 67 HD22 ASN 67 92.234 -8.183 8.224 516 H LEU 68 HN LEU 68 90.867 -1.983 5.348 517 HA LEU 68 HA LEU 68 90.530 -2.265 2.583 518 HB2 LEU 68 HB2 LEU 68 91.191 0.205 4.180 519 HB3 LEU 68 HB1 LEU 68 90.678 0.209 2.497 520 HG LEU 68 HG LEU 68 89.058 -1.023 4.733 521 HD11 LEU 68 HD11 LEU 68 87.652 1.029 4.508 522 HD12 LEU 68 HD12 LEU 68 88.875 1.715 3.441 523 HD13 LEU 68 HD13 LEU 68 89.268 1.371 5.127 524 HD21 LEU 68 HD21 LEU 68 87.248 -0.523 2.854 525 HD22 LEU 68 HD22 LEU 68 88.233 -1.977 2.760 526 HD23 LEU 68 HD23 LEU 68 88.643 -0.573 1.778 527 H ARG 69 HN ARG 69 91.992 -2.883 1.193 528 HA ARG 69 HA ARG 69 94.800 -2.071 1.474 529 HB2 ARG 69 HB2 ARG 69 93.294 -4.093 -0.179 530 HB3 ARG 69 HB1 ARG 69 94.900 -3.586 -0.693 531 HG2 ARG 69 HG2 ARG 69 95.778 -4.201 1.553 532 HG3 ARG 69 HG1 ARG 69 94.175 -4.785 1.991 533 HD2 ARG 69 HD2 ARG 69 96.123 -5.923 0.009 534 HD3 ARG 69 HD1 ARG 69 95.235 -6.746 1.289 535 HE ARG 69 HE ARG 69 93.713 -5.630 -0.976 536 HH11 ARG 69 HH21 ARG 69 92.453 -7.557 0.927 537 HH12 ARG 69 HH22 ARG 69 92.553 -9.060 0.073 538 HH21 ARG 69 HH11 ARG 69 94.929 -7.928 -2.186 539 HH22 ARG 69 HH12 ARG 69 93.941 -9.266 -1.701 540 HA PRO 70 HA PRO 70 94.564 1.261 -1.435 541 HB2 PRO 70 HB2 PRO 70 96.548 0.267 -3.304 542 HB3 PRO 70 HB1 PRO 70 96.759 1.517 -2.068 543 HG2 PRO 70 HG2 PRO 70 97.581 -1.294 -2.014 544 HG3 PRO 70 HG1 PRO 70 98.117 0.050 -0.995 545 HD2 PRO 70 HD2 PRO 70 96.506 -2.018 -0.109 546 HD3 PRO 70 HD1 PRO 70 96.551 -0.408 0.643 547 H GLN 71 HN GLN 71 94.788 -2.021 -2.540 548 HA GLN 71 HA GLN 71 93.706 -1.873 -5.101 549 HB2 GLN 71 HB2 GLN 71 94.686 -3.921 -4.135 550 HB3 GLN 71 HB1 GLN 71 93.330 -4.043 -3.014 551 HG2 GLN 71 HG2 GLN 71 91.760 -4.273 -4.904 552 HG3 GLN 71 HG1 GLN 71 93.093 -4.083 -6.043 553 HE21 GLN 71 HE21 GLN 71 91.255 -6.455 -5.570 554 HE22 GLN 71 HE22 GLN 71 92.304 -7.753 -5.259 555 H ASP 72 HN ASP 72 91.948 -2.643 -2.044 556 HA ASP 72 HA ASP 72 89.418 -2.793 -2.971 557 HB2 ASP 72 HB2 ASP 72 90.458 -1.647 -0.389 558 HB3 ASP 72 HB1 ASP 72 88.739 -1.909 -0.687 559 H SER 73 HN SER 73 91.077 0.357 -2.193 560 HA SER 73 HA SER 73 88.896 2.008 -2.351 561 HB2 SER 73 HB2 SER 73 90.980 3.010 -1.864 562 HB3 SER 73 HB1 SER 73 91.731 2.359 -3.316 563 HG SER 73 HG SER 73 89.671 4.311 -3.163 564 H CYS 74 HN CYS 74 87.436 2.446 -3.841 565 HA CYS 74 HA CYS 74 88.008 2.607 -6.635 566 HB2 CYS 74 HB2 CYS 74 87.944 0.074 -6.075 567 HB3 CYS 74 HB1 CYS 74 86.200 0.300 -5.955 568 HG CYS 74 HG CYS 74 86.054 0.720 -8.434 569 H ARG 75 HN ARG 75 85.346 1.790 -7.480 570 HA ARG 75 HA ARG 75 83.884 4.170 -6.594 571 HB2 ARG 75 HB2 ARG 75 84.161 3.773 -9.012 572 HB3 ARG 75 HB1 ARG 75 83.318 2.232 -8.852 573 HG2 ARG 75 HG2 ARG 75 81.314 3.445 -7.997 574 HG3 ARG 75 HG1 ARG 75 82.161 4.970 -8.237 575 HD2 ARG 75 HD2 ARG 75 81.590 2.952 -10.415 576 HD3 ARG 75 HD1 ARG 75 80.618 4.390 -10.101 577 HE ARG 75 HE ARG 75 83.212 4.305 -11.391 578 HH11 ARG 75 HH11 ARG 75 83.185 6.298 -9.025 579 HH12 ARG 75 HH12 ARG 75 82.791 7.769 -9.849 580 HH21 ARG 75 HH21 ARG 75 81.693 6.171 -12.727 581 HH22 ARG 75 HH22 ARG 75 81.928 7.696 -11.943 582 H VAL 76 HN VAL 76 81.941 4.138 -5.615 583 HA VAL 76 HA VAL 76 80.775 1.506 -4.884 584 HB VAL 76 HB VAL 76 80.976 4.058 -3.260 585 HG11 VAL 76 HG11 VAL 76 78.756 3.205 -2.906 586 HG12 VAL 76 HG12 VAL 76 79.721 2.685 -1.528 587 HG13 VAL 76 HG13 VAL 76 79.345 1.545 -2.819 588 HG21 VAL 76 HG21 VAL 76 82.963 2.663 -3.131 589 HG22 VAL 76 HG22 VAL 76 81.982 1.224 -2.860 590 HG23 VAL 76 HG23 VAL 76 82.056 2.483 -1.629 591 H THR 77 HN THR 77 78.737 1.230 -5.635 592 HA THR 77 HA THR 77 77.123 3.644 -6.267 593 HB THR 77 HB THR 77 77.380 1.169 -7.988 594 HG1 THR 77 HG1 THR 77 78.304 3.832 -8.224 595 HG21 THR 77 HG21 THR 77 75.987 2.589 -9.567 596 HG22 THR 77 HG22 THR 77 75.697 3.677 -8.210 597 HG23 THR 77 HG23 THR 77 75.133 2.009 -8.136 598 H PHE 78 HN PHE 78 75.127 3.630 -5.549 599 HA PHE 78 HA PHE 78 73.846 1.068 -4.775 600 HB2 PHE 78 HB2 PHE 78 74.506 2.117 -2.711 601 HB3 PHE 78 HB1 PHE 78 73.928 3.689 -3.258 602 HD1 PHE 78 HD2 PHE 78 72.679 0.184 -2.760 603 HD2 PHE 78 HD1 PHE 78 71.794 4.384 -2.574 604 HE1 PHE 78 HE2 PHE 78 70.440 -0.329 -1.822 605 HE2 PHE 78 HE1 PHE 78 69.552 3.870 -1.639 606 HZ PHE 78 HZ PHE 78 68.878 1.514 -1.261 607 H LEU 79 HN LEU 79 72.107 0.787 -6.042 608 HA LEU 79 HA LEU 79 70.606 3.189 -6.954 609 HB2 LEU 79 HB2 LEU 79 71.767 2.237 -8.828 610 HB3 LEU 79 HB1 LEU 79 71.228 0.616 -8.407 611 HG LEU 79 HG LEU 79 68.910 1.193 -8.935 612 HD11 LEU 79 HD11 LEU 79 70.063 3.961 -9.195 613 HD12 LEU 79 HD12 LEU 79 68.688 3.431 -8.225 614 HD13 LEU 79 HD13 LEU 79 68.547 3.522 -9.979 615 HD21 LEU 79 HD21 LEU 79 70.806 2.218 -11.073 616 HD22 LEU 79 HD22 LEU 79 69.157 1.653 -11.341 617 HD23 LEU 79 HD23 LEU 79 70.401 0.524 -10.802 618 H ALA 80 HN ALA 80 68.950 3.183 -5.487 619 HA ALA 80 HA ALA 80 67.136 0.833 -5.567 620 HB1 ALA 80 HB1 ALA 80 66.409 1.546 -3.256 621 HB2 ALA 80 HB2 ALA 80 67.806 2.625 -3.225 622 HB3 ALA 80 HB3 ALA 80 68.039 0.881 -3.347 623 H GLY 81 HN GLY 81 65.203 1.290 -6.385 624 HA2 GLY 81 HA2 GLY 81 63.518 2.539 -7.366 625 HA3 GLY 81 HA1 GLY 81 63.519 3.377 -5.817 626 H ASP 82 HN ASP 82 62.778 5.074 -7.509 627 HA ASP 82 HA ASP 82 64.358 6.256 -9.393 628 HB2 ASP 82 HB2 ASP 82 62.314 7.431 -7.514 629 HB3 ASP 82 HB1 ASP 82 63.053 8.369 -8.814 630 H MET 83 HN MET 83 65.789 5.828 -6.555 631 HA MET 83 HA MET 83 67.132 8.482 -6.634 632 HB2 MET 83 HB2 MET 83 67.656 8.190 -4.235 633 HB3 MET 83 HB1 MET 83 65.936 8.376 -4.546 634 HG2 MET 83 HG2 MET 83 65.611 5.956 -4.345 635 HG3 MET 83 HG1 MET 83 67.343 5.719 -4.131 636 HE1 MET 83 HE1 MET 83 64.421 7.949 -2.832 637 HE2 MET 83 HE2 MET 83 64.275 7.357 -1.180 638 HE3 MET 83 HE3 MET 83 64.010 6.256 -2.530 639 H VAL 84 HN VAL 84 69.252 8.479 -6.998 640 HA VAL 84 HA VAL 84 70.742 5.937 -6.667 641 HB VAL 84 HB VAL 84 70.378 6.221 -9.020 642 HG11 VAL 84 HG11 VAL 84 70.762 8.257 -10.221 643 HG12 VAL 84 HG12 VAL 84 71.488 9.023 -8.811 644 HG13 VAL 84 HG13 VAL 84 69.760 8.672 -8.832 645 HG21 VAL 84 HG21 VAL 84 72.745 5.739 -8.146 646 HG22 VAL 84 HG22 VAL 84 73.109 7.418 -8.542 647 HG23 VAL 84 HG23 VAL 84 72.616 6.300 -9.815 648 H THR 85 HN THR 85 72.390 6.122 -5.320 649 HA THR 85 HA THR 85 73.689 8.764 -4.900 650 HB THR 85 HB THR 85 73.599 8.494 -2.592 651 HG1 THR 85 HG1 THR 85 73.328 6.230 -1.781 652 HG21 THR 85 HG21 THR 85 71.450 7.560 -1.915 653 HG22 THR 85 HG22 THR 85 71.336 6.639 -3.410 654 HG23 THR 85 HG23 THR 85 71.242 8.401 -3.452 655 H SER 86 HN SER 86 75.871 8.758 -5.265 656 HA SER 86 HA SER 86 77.399 6.270 -4.866 657 HB2 SER 86 HB2 SER 86 76.805 6.223 -7.235 658 HB3 SER 86 HB1 SER 86 77.452 7.847 -7.444 659 HG SER 86 HG SER 86 79.203 6.168 -6.204 660 H ALA 87 HN ALA 87 79.437 6.579 -4.122 661 HA ALA 87 HA ALA 87 80.638 9.274 -4.247 662 HB1 ALA 87 HB1 ALA 87 81.096 9.306 -1.892 663 HB2 ALA 87 HB2 ALA 87 80.480 7.667 -1.690 664 HB3 ALA 87 HB3 ALA 87 79.372 8.983 -2.078 665 H PHE 88 HN PHE 88 82.922 9.302 -3.975 666 HA PHE 88 HA PHE 88 84.234 6.897 -4.901 667 HB2 PHE 88 HB2 PHE 88 85.572 9.472 -4.065 668 HB3 PHE 88 HB1 PHE 88 86.152 8.262 -5.209 669 HD1 PHE 88 HD2 PHE 88 85.015 7.983 -7.428 670 HD2 PHE 88 HD1 PHE 88 84.007 11.150 -4.707 671 HE1 PHE 88 HE2 PHE 88 83.876 9.201 -9.266 672 HE2 PHE 88 HE1 PHE 88 82.870 12.366 -6.533 673 HZ PHE 88 HZ PHE 88 82.803 11.395 -8.822 674 H LEU 89 HN LEU 89 86.318 6.221 -3.889 675 HA LEU 89 HA LEU 89 86.333 6.464 -0.941 676 HB2 LEU 89 HB2 LEU 89 85.356 4.205 -2.009 677 HB3 LEU 89 HB1 LEU 89 87.067 3.819 -2.173 678 HG LEU 89 HG LEU 89 85.718 4.659 0.419 679 HD11 LEU 89 HD11 LEU 89 86.259 2.230 1.038 680 HD12 LEU 89 HD12 LEU 89 86.467 1.953 -0.694 681 HD13 LEU 89 HD13 LEU 89 84.906 2.485 -0.067 682 HD21 LEU 89 HD21 LEU 89 87.920 5.215 0.821 683 HD22 LEU 89 HD22 LEU 89 88.550 4.067 -0.360 684 HD23 LEU 89 HD23 LEU 89 88.001 3.504 1.218 685 H THR 90 HN THR 90 88.379 6.623 -0.084 686 HA THR 90 HA THR 90 90.697 6.392 -1.916 687 HB THR 90 HB THR 90 90.094 8.701 -0.047 688 HG1 THR 90 HG1 THR 90 89.034 9.098 -1.877 689 HG21 THR 90 HG21 THR 90 92.534 7.948 -1.655 690 HG22 THR 90 HG22 THR 90 92.435 8.353 0.059 691 HG23 THR 90 HG23 THR 90 92.218 9.610 -1.159 692 H VAL 91 HN VAL 91 92.199 5.066 -1.023 693 HA VAL 91 HA VAL 91 92.475 5.058 1.939 694 HB VAL 91 HB VAL 91 92.171 2.682 0.104 695 HG11 VAL 91 HG11 VAL 91 94.043 2.061 1.425 696 HG12 VAL 91 HG12 VAL 91 92.657 1.367 2.260 697 HG13 VAL 91 HG13 VAL 91 93.390 2.849 2.863 698 HG21 VAL 91 HG21 VAL 91 90.254 2.206 1.346 699 HG22 VAL 91 HG22 VAL 91 90.236 3.965 1.397 700 HG23 VAL 91 HG23 VAL 91 90.838 3.055 2.776 701 H ARG 92 HN ARG 92 94.485 5.493 2.540 702 HA ARG 92 HA ARG 92 96.635 5.579 0.666 703 HB2 ARG 92 HB2 ARG 92 96.542 5.896 3.674 704 HB3 ARG 92 HB1 ARG 92 97.996 6.145 2.709 705 HG2 ARG 92 HG2 ARG 92 96.823 7.895 1.405 706 HG3 ARG 92 HG1 ARG 92 95.380 7.651 2.389 707 HD2 ARG 92 HD2 ARG 92 96.623 8.303 4.407 708 HD3 ARG 92 HD1 ARG 92 98.090 8.507 3.455 709 HE ARG 92 HE ARG 92 96.154 10.142 2.291 710 HH11 ARG 92 HH21 ARG 92 97.918 9.796 5.247 711 HH12 ARG 92 HH22 ARG 92 97.776 11.463 5.693 712 HH21 ARG 92 HH11 ARG 92 95.887 12.320 2.908 713 HH22 ARG 92 HH12 ARG 92 96.630 12.896 4.362 714 H GLY 93 HN GLY 93 98.698 4.486 0.917 715 HA2 GLY 93 HA2 GLY 93 98.456 1.726 1.998 716 HA3 GLY 93 HA1 GLY 93 99.260 2.099 0.476 717 H GLY 94 HN GLY 94 101.211 1.162 1.253 718 HA2 GLY 94 HA2 GLY 94 102.523 2.322 3.585 719 HA3 GLY 94 HA1 GLY 94 103.147 1.034 2.561 720 H LEU 95 HN LEU 95 103.164 4.415 3.199 721 HA LEU 95 HA LEU 95 104.624 5.021 0.702 722 HB2 LEU 95 HB2 LEU 95 103.488 6.799 2.873 723 HB3 LEU 95 HB1 LEU 95 104.387 7.389 1.480 724 HG LEU 95 HG LEU 95 101.898 5.678 1.219 725 HD11 LEU 95 HD11 LEU 95 101.446 7.836 2.436 726 HD12 LEU 95 HD12 LEU 95 100.622 7.711 0.883 727 HD13 LEU 95 HD13 LEU 95 102.074 8.699 1.031 728 HD21 LEU 95 HD21 LEU 95 101.910 6.968 -1.054 729 HD22 LEU 95 HD22 LEU 95 103.054 5.650 -0.847 730 HD23 LEU 95 HD23 LEU 95 103.595 7.318 -0.678 731 H GLU 96 HN GLU 96 105.014 4.813 4.196 732 HA GLU 96 HA GLU 96 107.757 5.852 4.048 733 HB2 GLU 96 HB2 GLU 96 106.023 4.947 6.360 734 HB3 GLU 96 HB1 GLU 96 107.718 5.388 6.546 735 HG2 GLU 96 HG2 GLU 96 105.601 7.206 5.359 736 HG3 GLU 96 HG1 GLU 96 106.145 7.275 7.033 737 H HIS 97 HN HIS 97 109.329 4.518 3.475 738 HA HIS 97 HA HIS 97 108.990 1.652 3.546 739 HB2 HIS 97 HB2 HIS 97 111.356 3.383 2.803 740 HB3 HIS 97 HB1 HIS 97 111.311 1.629 2.636 741 HD1 HIS 97 HD1 HIS 97 109.223 0.719 1.103 742 HD2 HIS 97 HD2 HIS 97 110.314 4.713 0.606 743 HE1 HIS 97 HE1 HIS 97 108.223 1.464 -1.099 744 H HIS 98 HN HIS 98 110.337 0.175 4.651 745 HA HIS 98 HA HIS 98 111.492 1.235 7.173 746 HB2 HIS 98 HB2 HIS 98 110.202 -1.442 6.583 747 HB3 HIS 98 HB1 HIS 98 111.021 -1.037 8.093 748 HD1 HIS 98 HD1 HIS 98 108.003 -0.093 6.027 749 HD2 HIS 98 HD2 HIS 98 109.545 0.613 9.835 750 HE1 HIS 98 HE1 HIS 98 106.183 1.091 7.329 751 H HIS 99 HN HIS 99 113.464 0.400 7.880 752 HA HIS 99 HA HIS 99 114.908 -1.487 6.166 753 HB2 HIS 99 HB2 HIS 99 116.823 0.034 5.907 754 HB3 HIS 99 HB1 HIS 99 115.375 0.702 5.151 755 HD1 HIS 99 HD1 HIS 99 114.439 2.876 6.095 756 HD2 HIS 99 HD2 HIS 99 117.527 1.316 8.419 757 HE1 HIS 99 HE1 HIS 99 115.036 4.663 7.785 758 H HIS 100 HN HIS 100 117.067 -2.020 7.128 759 HA HIS 100 HA HIS 100 117.168 -1.617 10.059 760 HB2 HIS 100 HB2 HIS 100 116.098 -3.803 9.620 761 HB3 HIS 100 HB1 HIS 100 117.497 -4.285 8.660 762 HD1 HIS 100 HD1 HIS 100 119.850 -4.303 10.017 763 HD2 HIS 100 HD2 HIS 100 116.389 -4.250 12.343 764 HE1 HIS 100 HE1 HIS 100 120.537 -5.033 12.344 765 H HIS 101 HN HIS 101 118.991 -0.498 10.290 766 HA HIS 101 HA HIS 101 121.158 0.232 9.975 767 HB2 HIS 101 HB2 HIS 101 121.518 -2.765 10.161 768 HB3 HIS 101 HB1 HIS 101 122.817 -1.585 10.342 769 HD1 HIS 101 HD1 HIS 101 119.568 -2.651 11.971 770 HD2 HIS 101 HD2 HIS 101 122.910 -0.321 12.843 771 HE1 HIS 101 HE1 HIS 101 119.370 -2.003 14.411 772 H HIS 102 HN HIS 102 120.919 1.061 7.860 773 HA HIS 102 HA HIS 102 122.118 -0.609 5.714 774 HB2 HIS 102 HB2 HIS 102 119.695 0.133 5.419 775 HB3 HIS 102 HB1 HIS 102 120.310 1.782 5.316 776 HD1 HIS 102 HD1 HIS 102 120.528 -1.558 3.543 777 HD2 HIS 102 HD2 HIS 102 121.503 2.437 2.859 778 HE1 HIS 102 HE1 HIS 102 121.212 -1.397 1.112 Start of MODEL 11 1 H1 THR 1 HT1 THR 1 55.445 0.377 -2.028 2 H2 THR 1 HT2 THR 1 56.508 -0.330 -3.148 3 H3 THR 1 HT3 THR 1 54.832 -0.362 -3.425 4 HA THR 1 HA THR 1 56.698 1.916 -3.623 5 HB THR 1 HB THR 1 55.426 2.186 -5.776 6 HG1 THR 1 HG1 THR 1 53.703 1.042 -6.022 7 HG21 THR 1 HG21 THR 1 57.529 1.002 -5.846 8 HG22 THR 1 HG22 THR 1 56.380 0.095 -6.830 9 HG23 THR 1 HG23 THR 1 56.783 -0.462 -5.206 10 H ALA 2 HN ALA 2 56.075 3.629 -2.419 11 HA ALA 2 HA ALA 2 53.353 4.631 -2.666 12 HB1 ALA 2 HB1 ALA 2 53.162 4.846 -0.133 13 HB2 ALA 2 HB2 ALA 2 54.481 3.679 -0.030 14 HB3 ALA 2 HB3 ALA 2 52.955 3.222 -0.787 15 H LYS 3 HN LYS 3 56.568 4.928 -1.257 16 HA LYS 3 HA LYS 3 56.745 7.695 -2.020 17 HB2 LYS 3 HB2 LYS 3 55.461 7.823 0.134 18 HB3 LYS 3 HB1 LYS 3 56.828 7.043 0.938 19 HG2 LYS 3 HG2 LYS 3 58.307 8.871 0.260 20 HG3 LYS 3 HG1 LYS 3 56.987 9.642 -0.619 21 HD2 LYS 3 HD2 LYS 3 55.724 9.874 1.494 22 HD3 LYS 3 HD1 LYS 3 57.061 9.124 2.368 23 HE2 LYS 3 HE2 LYS 3 58.564 10.943 1.599 24 HE3 LYS 3 HE1 LYS 3 57.200 11.706 0.782 25 HZ1 LYS 3 HZ1 LYS 3 56.224 11.338 3.252 26 HZ2 LYS 3 HZ2 LYS 3 56.960 12.774 2.719 27 HZ3 LYS 3 HZ3 LYS 3 57.859 11.630 3.596 28 H ASN 4 HN ASN 4 58.808 7.941 -2.676 29 HA ASN 4 HA ASN 4 60.959 6.511 -1.241 30 HB2 ASN 4 HB2 ASN 4 62.040 6.198 -3.487 31 HB3 ASN 4 HB1 ASN 4 60.583 5.234 -3.248 32 HD21 ASN 4 HD21 ASN 4 61.504 5.938 -5.887 33 HD22 ASN 4 HD22 ASN 4 60.371 7.001 -6.571 34 H THR 5 HN THR 5 62.380 8.064 -0.459 35 HA THR 5 HA THR 5 63.216 10.194 -2.235 36 HB THR 5 HB THR 5 61.672 10.855 0.283 37 HG1 THR 5 HG1 THR 5 60.102 11.294 -1.036 38 HG21 THR 5 HG21 THR 5 63.266 12.536 -1.660 39 HG22 THR 5 HG22 THR 5 63.492 12.399 0.084 40 HG23 THR 5 HG23 THR 5 62.068 13.217 -0.559 41 H VAL 6 HN VAL 6 65.303 9.863 -2.008 42 HA VAL 6 HA VAL 6 66.620 8.955 0.310 43 HB VAL 6 HB VAL 6 67.507 10.127 -2.295 44 HG11 VAL 6 HG11 VAL 6 69.917 10.023 -1.472 45 HG12 VAL 6 HG12 VAL 6 69.269 10.021 0.168 46 HG13 VAL 6 HG13 VAL 6 68.985 11.402 -0.892 47 HG21 VAL 6 HG21 VAL 6 68.635 7.780 -0.761 48 HG22 VAL 6 HG22 VAL 6 68.663 8.064 -2.501 49 HG23 VAL 6 HG23 VAL 6 67.152 7.650 -1.696 50 H VAL 7 HN VAL 7 67.237 9.868 2.084 51 HA VAL 7 HA VAL 7 66.812 12.719 2.532 52 HB VAL 7 HB VAL 7 67.784 10.550 4.419 53 HG11 VAL 7 HG11 VAL 7 66.966 13.433 4.756 54 HG12 VAL 7 HG12 VAL 7 68.354 12.586 5.437 55 HG13 VAL 7 HG13 VAL 7 66.740 12.290 6.080 56 HG21 VAL 7 HG21 VAL 7 65.006 11.645 3.869 57 HG22 VAL 7 HG22 VAL 7 65.405 10.593 5.226 58 HG23 VAL 7 HG23 VAL 7 65.563 9.996 3.571 59 H ARG 8 HN ARG 8 69.357 10.308 2.498 60 HA ARG 8 HA ARG 8 71.378 12.339 1.909 61 HB2 ARG 8 HB2 ARG 8 71.835 12.303 4.195 62 HB3 ARG 8 HB1 ARG 8 71.313 10.631 4.376 63 HG2 ARG 8 HG2 ARG 8 73.330 9.786 3.399 64 HG3 ARG 8 HG1 ARG 8 73.810 11.381 2.819 65 HD2 ARG 8 HD2 ARG 8 73.502 10.623 5.746 66 HD3 ARG 8 HD1 ARG 8 75.038 10.650 4.887 67 HE ARG 8 HE ARG 8 73.621 12.926 5.908 68 HH11 ARG 8 HH21 ARG 8 75.564 11.795 3.278 69 HH12 ARG 8 HH22 ARG 8 76.308 13.331 2.981 70 HH21 ARG 8 HH11 ARG 8 74.644 14.933 5.572 71 HH22 ARG 8 HH12 ARG 8 75.787 15.110 4.283 72 H GLY 9 HN GLY 9 72.733 11.638 0.382 73 HA2 GLY 9 HA2 GLY 9 72.577 8.843 -0.483 74 HA3 GLY 9 HA1 GLY 9 73.277 10.188 -1.392 75 H LEU 10 HN LEU 10 74.952 8.248 -1.448 76 HA LEU 10 HA LEU 10 76.589 7.865 0.831 77 HB2 LEU 10 HB2 LEU 10 77.116 7.445 -2.115 78 HB3 LEU 10 HB1 LEU 10 78.179 6.884 -0.822 79 HG LEU 10 HG LEU 10 75.251 6.151 -0.751 80 HD11 LEU 10 HD11 LEU 10 76.078 5.554 -3.023 81 HD12 LEU 10 HD12 LEU 10 75.740 4.121 -2.053 82 HD13 LEU 10 HD13 LEU 10 77.402 4.659 -2.287 83 HD21 LEU 10 HD21 LEU 10 77.775 4.682 0.110 84 HD22 LEU 10 HD22 LEU 10 76.117 4.183 0.436 85 HD23 LEU 10 HD23 LEU 10 76.760 5.637 1.188 86 H GLU 11 HN GLU 11 78.886 8.526 0.953 87 HA GLU 11 HA GLU 11 79.456 11.100 -0.356 88 HB2 GLU 11 HB2 GLU 11 80.256 11.930 1.918 89 HB3 GLU 11 HB1 GLU 11 78.508 11.835 1.700 90 HG2 GLU 11 HG2 GLU 11 80.092 9.563 2.906 91 HG3 GLU 11 HG1 GLU 11 79.451 10.878 3.889 92 H ASN 12 HN ASN 12 81.741 11.775 0.128 93 HA ASN 12 HA ASN 12 83.518 9.752 -0.660 94 HB2 ASN 12 HB2 ASN 12 85.288 11.411 -0.170 95 HB3 ASN 12 HB1 ASN 12 83.953 12.124 -1.071 96 HD21 ASN 12 HD21 ASN 12 85.175 14.104 0.085 97 HD22 ASN 12 HD22 ASN 12 84.502 14.571 1.573 98 H VAL 13 HN VAL 13 85.022 8.530 0.456 99 HA VAL 13 HA VAL 13 84.878 8.566 3.430 100 HB VAL 13 HB VAL 13 84.745 6.165 1.587 101 HG11 VAL 13 HG11 VAL 13 85.542 6.386 4.490 102 HG12 VAL 13 HG12 VAL 13 86.272 5.412 3.215 103 HG13 VAL 13 HG13 VAL 13 84.720 4.936 3.906 104 HG21 VAL 13 HG21 VAL 13 83.001 7.184 3.853 105 HG22 VAL 13 HG22 VAL 13 82.729 5.683 2.969 106 HG23 VAL 13 HG23 VAL 13 82.602 7.235 2.137 107 H GLU 14 HN GLU 14 86.814 8.696 4.388 108 HA GLU 14 HA GLU 14 89.250 8.064 2.797 109 HB2 GLU 14 HB2 GLU 14 88.807 10.262 4.830 110 HB3 GLU 14 HB1 GLU 14 90.360 9.870 4.092 111 HG2 GLU 14 HG2 GLU 14 89.390 10.309 1.852 112 HG3 GLU 14 HG1 GLU 14 87.863 10.744 2.619 113 H ALA 15 HN ALA 15 90.489 6.488 3.645 114 HA ALA 15 HA ALA 15 90.797 6.290 6.546 115 HB1 ALA 15 HB1 ALA 15 90.136 4.002 6.722 116 HB2 ALA 15 HB2 ALA 15 89.913 3.866 4.979 117 HB3 ALA 15 HB3 ALA 15 88.813 4.861 5.934 118 H LEU 16 HN LEU 16 92.745 5.497 7.161 119 HA LEU 16 HA LEU 16 94.808 5.237 5.194 120 HB2 LEU 16 HB2 LEU 16 95.185 6.227 7.433 121 HB3 LEU 16 HB1 LEU 16 94.826 4.674 8.176 122 HG LEU 16 HG LEU 16 96.777 3.688 6.952 123 HD11 LEU 16 HD11 LEU 16 97.094 5.074 5.058 124 HD12 LEU 16 HD12 LEU 16 98.444 5.488 6.109 125 HD13 LEU 16 HD13 LEU 16 97.036 6.549 6.024 126 HD21 LEU 16 HD21 LEU 16 98.516 5.005 8.285 127 HD22 LEU 16 HD22 LEU 16 97.172 4.330 9.205 128 HD23 LEU 16 HD23 LEU 16 97.185 6.045 8.792 129 H GLU 17 HN GLU 17 96.232 3.329 4.983 130 HA GLU 17 HA GLU 17 94.959 0.986 4.268 131 HB2 GLU 17 HB2 GLU 17 97.313 1.493 3.737 132 HB3 GLU 17 HB1 GLU 17 97.747 1.224 5.423 133 HG2 GLU 17 HG2 GLU 17 97.008 -1.105 5.275 134 HG3 GLU 17 HG1 GLU 17 96.468 -0.848 3.615 135 H GLY 18 HN GLY 18 94.532 -0.976 5.247 136 HA2 GLY 18 HA2 GLY 18 93.872 -2.414 6.893 137 HA3 GLY 18 HA1 GLY 18 95.177 -1.737 7.868 138 H GLY 19 HN GLY 19 92.824 0.444 6.638 139 HA2 GLY 19 HA2 GLY 19 91.843 0.968 9.356 140 HA3 GLY 19 HA1 GLY 19 91.617 1.996 7.941 141 H GLU 20 HN GLU 20 89.419 1.712 9.314 142 HA GLU 20 HA GLU 20 87.831 -0.438 8.017 143 HB2 GLU 20 HB2 GLU 20 87.899 -0.455 10.526 144 HB3 GLU 20 HB1 GLU 20 87.171 1.152 10.515 145 HG2 GLU 20 HG2 GLU 20 85.215 0.278 9.316 146 HG3 GLU 20 HG1 GLU 20 85.949 -1.322 9.263 147 H ALA 21 HN ALA 21 85.713 0.209 7.184 148 HA ALA 21 HA ALA 21 85.324 3.129 6.905 149 HB1 ALA 21 HB1 ALA 21 84.759 2.622 4.397 150 HB2 ALA 21 HB2 ALA 21 85.800 1.227 4.632 151 HB3 ALA 21 HB3 ALA 21 86.439 2.846 4.881 152 H LEU 22 HN LEU 22 83.271 3.805 6.705 153 HA LEU 22 HA LEU 22 81.142 1.767 6.534 154 HB2 LEU 22 HB2 LEU 22 81.066 4.055 8.501 155 HB3 LEU 22 HB1 LEU 22 79.983 2.671 8.401 156 HG LEU 22 HG LEU 22 82.331 1.338 8.734 157 HD11 LEU 22 HD11 LEU 22 82.733 3.776 10.475 158 HD12 LEU 22 HD12 LEU 22 83.482 3.651 8.885 159 HD13 LEU 22 HD13 LEU 22 83.868 2.470 10.135 160 HD21 LEU 22 HD21 LEU 22 80.807 2.589 11.041 161 HD22 LEU 22 HD22 LEU 22 81.761 1.106 11.087 162 HD23 LEU 22 HD23 LEU 22 80.270 1.165 10.148 163 H PHE 23 HN PHE 23 79.551 2.275 5.177 164 HA PHE 23 HA PHE 23 79.332 5.079 4.229 165 HB2 PHE 23 HB2 PHE 23 78.828 2.411 2.928 166 HB3 PHE 23 HB1 PHE 23 78.020 3.851 2.323 167 HD1 PHE 23 HD1 PHE 23 79.363 5.775 1.502 168 HD2 PHE 23 HD2 PHE 23 81.160 2.008 2.524 169 HE1 PHE 23 HE1 PHE 23 81.391 6.397 0.219 170 HE2 PHE 23 HE2 PHE 23 83.191 2.629 1.239 171 HZ PHE 23 HZ PHE 23 83.306 4.825 0.087 172 H GLU 24 HN GLU 24 77.784 6.018 5.501 173 HA GLU 24 HA GLU 24 75.340 4.478 6.107 174 HB2 GLU 24 HB2 GLU 24 76.441 7.050 7.252 175 HB3 GLU 24 HB1 GLU 24 74.864 6.375 7.676 176 HG2 GLU 24 HG2 GLU 24 75.948 4.288 8.383 177 HG3 GLU 24 HG1 GLU 24 77.525 4.957 7.982 178 H CYS 25 HN CYS 25 73.827 4.618 4.676 179 HA CYS 25 HA CYS 25 73.153 7.253 3.484 180 HB2 CYS 25 HB2 CYS 25 73.969 5.894 1.688 181 HB3 CYS 25 HB1 CYS 25 73.079 4.484 2.264 182 HG CYS 25 HG CYS 25 70.905 5.467 1.386 183 H GLN 26 HN GLN 26 71.147 7.932 3.922 184 HA GLN 26 HA GLN 26 69.225 5.993 5.098 185 HB2 GLN 26 HB2 GLN 26 69.560 8.970 5.549 186 HB3 GLN 26 HB1 GLN 26 68.227 8.007 6.188 187 HG2 GLN 26 HG2 GLN 26 69.805 6.586 7.407 188 HG3 GLN 26 HG1 GLN 26 71.162 7.490 6.737 189 HE21 GLN 26 HE21 GLN 26 69.951 7.178 9.610 190 HE22 GLN 26 HE22 GLN 26 69.855 8.781 10.160 191 H LEU 27 HN LEU 27 67.022 6.234 4.533 192 HA LEU 27 HA LEU 27 66.293 8.077 2.424 193 HB2 LEU 27 HB2 LEU 27 65.423 6.068 1.011 194 HB3 LEU 27 HB1 LEU 27 67.118 6.523 0.899 195 HG LEU 27 HG LEU 27 67.808 4.706 2.295 196 HD11 LEU 27 HD11 LEU 27 66.049 3.132 3.262 197 HD12 LEU 27 HD12 LEU 27 64.857 4.376 2.918 198 HD13 LEU 27 HD13 LEU 27 66.166 4.696 4.059 199 HD21 LEU 27 HD21 LEU 27 65.551 3.732 0.523 200 HD22 LEU 27 HD22 LEU 27 66.925 2.768 1.071 201 HD23 LEU 27 HD23 LEU 27 67.180 4.119 -0.037 202 H SER 28 HN SER 28 64.001 7.619 1.677 203 HA SER 28 HA SER 28 62.367 6.750 3.989 204 HB2 SER 28 HB2 SER 28 62.268 9.186 3.634 205 HB3 SER 28 HB1 SER 28 61.788 8.924 1.960 206 HG SER 28 HG SER 28 60.152 9.208 3.845 207 H GLN 29 HN GLN 29 62.160 4.647 3.214 208 HA GLN 29 HA GLN 29 60.029 4.228 1.355 209 HB2 GLN 29 HB2 GLN 29 62.039 4.617 -0.162 210 HB3 GLN 29 HB1 GLN 29 62.723 3.139 0.512 211 HG2 GLN 29 HG2 GLN 29 60.579 1.963 -0.157 212 HG3 GLN 29 HG1 GLN 29 60.142 3.423 -1.043 213 HE21 GLN 29 HE21 GLN 29 63.432 2.011 -0.741 214 HE22 GLN 29 HE22 GLN 29 63.616 1.705 -2.400 215 HA PRO 30 HA PRO 30 60.836 0.904 4.474 216 HB2 PRO 30 HB2 PRO 30 58.057 1.102 5.306 217 HB3 PRO 30 HB1 PRO 30 59.508 1.505 6.236 218 HG2 PRO 30 HG2 PRO 30 57.643 3.338 5.282 219 HG3 PRO 30 HG1 PRO 30 59.289 3.723 5.809 220 HD2 PRO 30 HD2 PRO 30 58.213 3.472 3.034 221 HD3 PRO 30 HD1 PRO 30 59.546 4.478 3.644 222 H GLU 31 HN GLU 31 60.388 0.586 1.717 223 HA GLU 31 HA GLU 31 58.882 -1.910 1.702 224 HB2 GLU 31 HB2 GLU 31 57.227 -0.153 1.073 225 HB3 GLU 31 HB1 GLU 31 58.276 0.323 -0.259 226 HG2 GLU 31 HG2 GLU 31 57.337 -2.531 0.050 227 HG3 GLU 31 HG1 GLU 31 56.346 -1.329 -0.770 228 H VAL 32 HN VAL 32 59.518 -3.260 -0.107 229 HA VAL 32 HA VAL 32 61.814 -2.248 -1.659 230 HB VAL 32 HB VAL 32 63.177 -4.075 -1.157 231 HG11 VAL 32 HG11 VAL 32 63.466 -3.945 1.208 232 HG12 VAL 32 HG12 VAL 32 61.760 -3.576 1.460 233 HG13 VAL 32 HG13 VAL 32 62.817 -2.387 0.698 234 HG21 VAL 32 HG21 VAL 32 62.248 -5.971 0.351 235 HG22 VAL 32 HG22 VAL 32 61.767 -5.971 -1.344 236 HG23 VAL 32 HG23 VAL 32 60.656 -5.369 -0.113 237 H ALA 33 HN ALA 33 61.404 -2.394 -3.675 238 HA ALA 33 HA ALA 33 59.632 -4.537 -4.712 239 HB1 ALA 33 HB1 ALA 33 59.280 -2.990 -6.633 240 HB2 ALA 33 HB2 ALA 33 60.266 -1.784 -5.804 241 HB3 ALA 33 HB3 ALA 33 58.739 -2.314 -5.097 242 H ALA 34 HN ALA 34 62.660 -2.778 -5.218 243 HA ALA 34 HA ALA 34 63.964 -5.045 -6.336 244 HB1 ALA 34 HB1 ALA 34 64.380 -4.076 -8.595 245 HB2 ALA 34 HB2 ALA 34 63.199 -2.817 -8.234 246 HB3 ALA 34 HB3 ALA 34 62.691 -4.503 -8.328 247 H HIS 35 HN HIS 35 65.988 -4.814 -5.560 248 HA HIS 35 HA HIS 35 67.249 -2.134 -5.664 249 HB2 HIS 35 HB2 HIS 35 67.445 -3.998 -3.289 250 HB3 HIS 35 HB1 HIS 35 68.137 -2.382 -3.437 251 HD1 HIS 35 HD1 HIS 35 65.755 -0.850 -4.608 252 HD2 HIS 35 HD2 HIS 35 65.422 -3.557 -1.459 253 HE1 HIS 35 HE1 HIS 35 63.600 -0.282 -3.398 254 H THR 36 HN THR 36 69.228 -2.157 -6.479 255 HA THR 36 HA THR 36 70.740 -4.717 -6.537 256 HB THR 36 HB THR 36 70.673 -2.585 -8.694 257 HG1 THR 36 HG1 THR 36 69.073 -4.656 -8.180 258 HG21 THR 36 HG21 THR 36 71.969 -4.338 -9.957 259 HG22 THR 36 HG22 THR 36 72.105 -5.244 -8.450 260 HG23 THR 36 HG23 THR 36 72.843 -3.648 -8.589 261 H TRP 37 HN TRP 37 72.584 -4.546 -5.432 262 HA TRP 37 HA TRP 37 73.847 -1.864 -5.150 263 HB2 TRP 37 HB2 TRP 37 72.633 -2.970 -3.118 264 HB3 TRP 37 HB1 TRP 37 74.033 -4.024 -3.058 265 HD1 TRP 37 HD1 TRP 37 76.050 -1.477 -3.971 266 HE1 TRP 37 HE1 TRP 37 76.725 0.155 -2.121 267 HE3 TRP 37 HE3 TRP 37 72.367 -2.446 -0.579 268 HZ2 TRP 37 HZ2 TRP 37 75.828 0.966 0.460 269 HZ3 TRP 37 HZ3 TRP 37 72.299 -1.217 1.573 270 HH2 TRP 37 HH2 TRP 37 74.022 0.487 2.095 271 H LEU 38 HN LEU 38 75.796 -1.725 -5.875 272 HA LEU 38 HA LEU 38 77.717 -3.811 -5.532 273 HB2 LEU 38 HB2 LEU 38 78.296 -3.806 -8.097 274 HB3 LEU 38 HB1 LEU 38 77.100 -4.904 -7.440 275 HG LEU 38 HG LEU 38 75.429 -2.876 -8.063 276 HD11 LEU 38 HD11 LEU 38 76.991 -1.305 -8.974 277 HD12 LEU 38 HD12 LEU 38 76.175 -2.028 -10.351 278 HD13 LEU 38 HD13 LEU 38 77.801 -2.549 -9.924 279 HD21 LEU 38 HD21 LEU 38 76.569 -4.953 -9.952 280 HD22 LEU 38 HD22 LEU 38 75.083 -4.048 -10.258 281 HD23 LEU 38 HD23 LEU 38 75.182 -5.144 -8.878 282 H LEU 39 HN LEU 39 79.482 -2.948 -5.042 283 HA LEU 39 HA LEU 39 80.096 -0.169 -5.759 284 HB2 LEU 39 HB2 LEU 39 82.164 -1.162 -4.095 285 HB3 LEU 39 HB1 LEU 39 80.827 -0.160 -3.578 286 HG LEU 39 HG LEU 39 79.483 -2.308 -3.299 287 HD11 LEU 39 HD11 LEU 39 81.121 -3.675 -4.683 288 HD12 LEU 39 HD12 LEU 39 80.717 -4.384 -3.118 289 HD13 LEU 39 HD13 LEU 39 82.252 -3.545 -3.336 290 HD21 LEU 39 HD21 LEU 39 81.943 -2.044 -1.562 291 HD22 LEU 39 HD22 LEU 39 80.390 -2.757 -1.110 292 HD23 LEU 39 HD23 LEU 39 80.511 -1.022 -1.422 293 H ASP 40 HN ASP 40 82.669 -2.426 -5.135 294 HA ASP 40 HA ASP 40 83.878 -2.035 -7.617 295 HB2 ASP 40 HB2 ASP 40 85.014 -3.049 -5.601 296 HB3 ASP 40 HB1 ASP 40 84.051 -4.506 -5.844 297 H ASP 41 HN ASP 41 83.996 -3.831 -9.266 298 HA ASP 41 HA ASP 41 81.410 -4.343 -10.231 299 HB2 ASP 41 HB2 ASP 41 84.125 -5.348 -11.077 300 HB3 ASP 41 HB1 ASP 41 82.645 -5.757 -11.944 301 H GLU 42 HN GLU 42 81.488 -5.423 -7.669 302 HA GLU 42 HA GLU 42 80.745 -8.188 -8.271 303 HB2 GLU 42 HB2 GLU 42 82.828 -7.385 -6.234 304 HB3 GLU 42 HB1 GLU 42 81.868 -8.846 -6.002 305 HG2 GLU 42 HG2 GLU 42 82.612 -9.697 -8.193 306 HG3 GLU 42 HG1 GLU 42 83.551 -8.229 -8.455 307 HA PRO 43 HA PRO 43 77.271 -6.859 -5.860 308 HB2 PRO 43 HB2 PRO 43 76.850 -9.436 -4.584 309 HB3 PRO 43 HB1 PRO 43 75.921 -8.699 -5.898 310 HG2 PRO 43 HG2 PRO 43 77.828 -10.854 -6.041 311 HG3 PRO 43 HG1 PRO 43 76.820 -10.187 -7.332 312 HD2 PRO 43 HD2 PRO 43 79.641 -9.900 -7.061 313 HD3 PRO 43 HD1 PRO 43 78.594 -9.065 -8.226 314 H VAL 44 HN VAL 44 76.982 -6.047 -3.773 315 HA VAL 44 HA VAL 44 79.278 -6.364 -2.005 316 HB VAL 44 HB VAL 44 78.480 -4.143 -2.443 317 HG11 VAL 44 HG11 VAL 44 75.847 -5.344 -2.054 318 HG12 VAL 44 HG12 VAL 44 76.276 -3.807 -2.784 319 HG13 VAL 44 HG13 VAL 44 76.032 -3.909 -1.045 320 HG21 VAL 44 HG21 VAL 44 79.425 -4.708 -0.204 321 HG22 VAL 44 HG22 VAL 44 77.789 -4.936 0.398 322 HG23 VAL 44 HG23 VAL 44 78.305 -3.351 -0.152 323 H ARG 45 HN ARG 45 78.981 -8.454 -1.330 324 HA ARG 45 HA ARG 45 77.221 -8.702 0.983 325 HB2 ARG 45 HB2 ARG 45 75.877 -9.742 -0.764 326 HB3 ARG 45 HB1 ARG 45 77.250 -10.719 -1.284 327 HG2 ARG 45 HG2 ARG 45 77.134 -12.128 0.566 328 HG3 ARG 45 HG1 ARG 45 76.438 -10.887 1.607 329 HD2 ARG 45 HD2 ARG 45 74.286 -11.133 0.649 330 HD3 ARG 45 HD1 ARG 45 74.908 -12.056 -0.719 331 HE ARG 45 HE ARG 45 74.972 -13.968 0.642 332 HH11 ARG 45 HH11 ARG 45 72.879 -11.811 1.998 333 HH12 ARG 45 HH12 ARG 45 73.035 -12.354 3.636 334 HH21 ARG 45 HH21 ARG 45 75.772 -14.381 2.989 335 HH22 ARG 45 HH22 ARG 45 74.671 -13.805 4.195 336 H THR 46 HN THR 46 78.881 -11.244 -0.716 337 HA THR 46 HA THR 46 80.695 -12.521 -0.161 338 HB THR 46 HB THR 46 82.682 -11.329 0.032 339 HG1 THR 46 HG1 THR 46 81.592 -9.099 1.279 340 HG21 THR 46 HG21 THR 46 81.030 -10.346 -1.729 341 HG22 THR 46 HG22 THR 46 82.487 -9.436 -1.333 342 HG23 THR 46 HG23 THR 46 80.942 -8.965 -0.633 343 H SER 47 HN SER 47 82.217 -11.225 2.434 344 HA SER 47 HA SER 47 80.478 -12.494 4.461 345 HB2 SER 47 HB2 SER 47 82.207 -14.111 3.513 346 HB3 SER 47 HB1 SER 47 83.420 -13.107 4.303 347 HG SER 47 HG SER 47 81.272 -13.727 5.894 348 H GLU 48 HN GLU 48 82.924 -12.410 6.289 349 HA GLU 48 HA GLU 48 82.298 -10.071 7.644 350 HB2 GLU 48 HB2 GLU 48 83.585 -11.969 8.597 351 HB3 GLU 48 HB1 GLU 48 84.984 -11.464 7.650 352 HG2 GLU 48 HG2 GLU 48 84.950 -9.265 8.783 353 HG3 GLU 48 HG1 GLU 48 83.568 -9.785 9.742 354 H ASN 49 HN ASN 49 84.967 -10.594 5.352 355 HA ASN 49 HA ASN 49 86.123 -8.043 5.558 356 HB2 ASN 49 HB2 ASN 49 86.064 -9.909 3.180 357 HB3 ASN 49 HB1 ASN 49 87.143 -8.526 3.359 358 HD21 ASN 49 HD21 ASN 49 87.368 -11.734 3.533 359 HD22 ASN 49 HD22 ASN 49 88.418 -11.923 4.853 360 H ALA 50 HN ALA 50 83.042 -8.573 4.697 361 HA ALA 50 HA ALA 50 82.424 -6.012 3.860 362 HB1 ALA 50 HB1 ALA 50 81.892 -6.612 1.370 363 HB2 ALA 50 HB2 ALA 50 83.118 -7.862 1.587 364 HB3 ALA 50 HB3 ALA 50 83.541 -6.164 1.799 365 H GLU 51 HN GLU 51 80.189 -5.827 4.040 366 HA GLU 51 HA GLU 51 78.335 -7.796 3.206 367 HB2 GLU 51 HB2 GLU 51 79.414 -9.067 5.118 368 HB3 GLU 51 HB1 GLU 51 78.826 -7.811 6.199 369 HG2 GLU 51 HG2 GLU 51 77.222 -9.570 6.284 370 HG3 GLU 51 HG1 GLU 51 76.495 -8.303 5.302 371 H VAL 52 HN VAL 52 76.205 -6.911 3.278 372 HA VAL 52 HA VAL 52 75.986 -4.248 4.439 373 HB VAL 52 HB VAL 52 73.887 -5.758 2.872 374 HG11 VAL 52 HG11 VAL 52 74.512 -2.814 3.236 375 HG12 VAL 52 HG12 VAL 52 73.200 -3.695 4.019 376 HG13 VAL 52 HG13 VAL 52 73.189 -3.468 2.269 377 HG21 VAL 52 HG21 VAL 52 76.079 -3.993 1.723 378 HG22 VAL 52 HG22 VAL 52 74.805 -4.818 0.827 379 HG23 VAL 52 HG23 VAL 52 76.059 -5.753 1.630 380 H VAL 53 HN VAL 53 74.398 -3.702 5.934 381 HA VAL 53 HA VAL 53 72.811 -5.860 7.161 382 HB VAL 53 HB VAL 53 74.770 -5.841 8.537 383 HG11 VAL 53 HG11 VAL 53 75.814 -3.816 7.849 384 HG12 VAL 53 HG12 VAL 53 75.510 -3.648 9.581 385 HG13 VAL 53 HG13 VAL 53 74.456 -2.841 8.417 386 HG21 VAL 53 HG21 VAL 53 73.852 -5.171 10.682 387 HG22 VAL 53 HG22 VAL 53 72.533 -5.804 9.698 388 HG23 VAL 53 HG23 VAL 53 72.722 -4.065 9.906 389 H PHE 54 HN PHE 54 70.929 -5.149 8.143 390 HA PHE 54 HA PHE 54 70.076 -2.427 7.379 391 HB2 PHE 54 HB2 PHE 54 68.712 -5.058 7.825 392 HB3 PHE 54 HB1 PHE 54 67.767 -3.583 8.005 393 HD1 PHE 54 HD2 PHE 54 70.255 -5.122 5.640 394 HD2 PHE 54 HD1 PHE 54 66.715 -2.722 6.117 395 HE1 PHE 54 HE2 PHE 54 70.008 -4.991 3.173 396 HE2 PHE 54 HE1 PHE 54 66.473 -2.594 3.655 397 HZ PHE 54 HZ PHE 54 68.115 -3.728 2.182 398 H PHE 55 HN PHE 55 69.125 -1.008 8.725 399 HA PHE 55 HA PHE 55 68.635 -1.699 11.535 400 HB2 PHE 55 HB2 PHE 55 70.360 0.617 10.628 401 HB3 PHE 55 HB1 PHE 55 69.638 0.507 12.230 402 HD1 PHE 55 HD1 PHE 55 70.323 -1.268 13.805 403 HD2 PHE 55 HD2 PHE 55 72.197 -0.789 9.978 404 HE1 PHE 55 HE1 PHE 55 72.201 -2.707 14.549 405 HE2 PHE 55 HE2 PHE 55 74.070 -2.224 10.714 406 HZ PHE 55 HZ PHE 55 74.076 -3.188 12.998 407 H GLU 56 HN GLU 56 66.957 -0.469 12.432 408 HA GLU 56 HA GLU 56 64.963 0.669 12.368 409 HB2 GLU 56 HB2 GLU 56 66.662 2.453 10.618 410 HB3 GLU 56 HB1 GLU 56 65.029 2.869 11.142 411 HG2 GLU 56 HG2 GLU 56 65.677 2.754 13.469 412 HG3 GLU 56 HG1 GLU 56 67.279 2.155 13.039 413 H ASN 57 HN ASN 57 65.407 -1.472 10.487 414 HA ASN 57 HA ASN 57 64.297 -2.530 8.790 415 HB2 ASN 57 HB2 ASN 57 62.403 -0.181 8.911 416 HB3 ASN 57 HB1 ASN 57 62.099 -1.733 8.139 417 HD21 ASN 57 HD21 ASN 57 61.183 -0.156 10.817 418 HD22 ASN 57 HD22 ASN 57 61.104 -1.436 11.929 419 H GLY 58 HN GLY 58 66.490 -0.887 8.077 420 HA2 GLY 58 HA2 GLY 58 67.485 -0.500 5.994 421 HA3 GLY 58 HA1 GLY 58 65.898 -0.570 5.243 422 H LEU 59 HN LEU 59 65.450 1.465 7.729 423 HA LEU 59 HA LEU 59 65.363 3.775 6.085 424 HB2 LEU 59 HB2 LEU 59 64.066 3.212 8.263 425 HB3 LEU 59 HB1 LEU 59 65.490 3.837 9.088 426 HG LEU 59 HG LEU 59 65.199 5.902 7.473 427 HD11 LEU 59 HD11 LEU 59 62.754 6.335 7.030 428 HD12 LEU 59 HD12 LEU 59 62.431 4.653 7.443 429 HD13 LEU 59 HD13 LEU 59 63.435 5.042 6.047 430 HD21 LEU 59 HD21 LEU 59 64.950 5.989 9.919 431 HD22 LEU 59 HD22 LEU 59 63.299 5.382 9.782 432 HD23 LEU 59 HD23 LEU 59 63.712 6.971 9.136 433 H ARG 60 HN ARG 60 67.808 2.209 7.875 434 HA ARG 60 HA ARG 60 69.754 4.267 7.128 435 HB2 ARG 60 HB2 ARG 60 69.011 4.829 9.442 436 HB3 ARG 60 HB1 ARG 60 69.533 3.229 9.964 437 HG2 ARG 60 HG2 ARG 60 71.830 3.731 9.219 438 HG3 ARG 60 HG1 ARG 60 71.315 5.333 8.701 439 HD2 ARG 60 HD2 ARG 60 70.561 5.769 11.066 440 HD3 ARG 60 HD1 ARG 60 71.305 4.241 11.525 441 HE ARG 60 HE ARG 60 73.133 5.961 10.123 442 HH11 ARG 60 HH11 ARG 60 73.188 4.130 12.765 443 HH12 ARG 60 HH12 ARG 60 73.781 5.306 13.890 444 HH21 ARG 60 HH21 ARG 60 73.246 8.002 11.771 445 HH22 ARG 60 HH22 ARG 60 73.816 7.496 13.327 446 H HIS 61 HN HIS 61 70.506 2.733 5.642 447 HA HIS 61 HA HIS 61 71.329 0.096 6.480 448 HB2 HIS 61 HB2 HIS 61 71.820 1.622 3.916 449 HB3 HIS 61 HB1 HIS 61 72.214 -0.074 4.168 450 HD1 HIS 61 HD1 HIS 61 69.497 2.143 3.154 451 HD2 HIS 61 HD2 HIS 61 69.792 -1.708 4.720 452 HE1 HIS 61 HE1 HIS 61 67.276 1.014 2.702 453 H LEU 62 HN LEU 62 73.278 -0.539 7.198 454 HA LEU 62 HA LEU 62 75.564 1.353 6.998 455 HB2 LEU 62 HB2 LEU 62 74.697 -0.563 9.157 456 HB3 LEU 62 HB1 LEU 62 76.417 -0.244 8.951 457 HG LEU 62 HG LEU 62 75.994 2.167 9.175 458 HD11 LEU 62 HD11 LEU 62 73.147 1.225 9.289 459 HD12 LEU 62 HD12 LEU 62 73.829 2.629 8.471 460 HD13 LEU 62 HD13 LEU 62 73.606 2.651 10.219 461 HD21 LEU 62 HD21 LEU 62 74.730 0.661 11.473 462 HD22 LEU 62 HD22 LEU 62 75.653 2.161 11.550 463 HD23 LEU 62 HD23 LEU 62 76.464 0.647 11.148 464 H LEU 63 HN LEU 63 77.158 0.713 5.707 465 HA LEU 63 HA LEU 63 77.354 -2.162 4.970 466 HB2 LEU 63 HB2 LEU 63 76.853 -0.937 3.012 467 HB3 LEU 63 HB1 LEU 63 77.918 0.382 3.463 468 HG LEU 63 HG LEU 63 79.887 -0.960 3.036 469 HD11 LEU 63 HD11 LEU 63 77.879 -3.203 2.948 470 HD12 LEU 63 HD12 LEU 63 79.442 -3.140 3.757 471 HD13 LEU 63 HD13 LEU 63 79.364 -3.348 2.011 472 HD21 LEU 63 HD21 LEU 63 79.504 -1.529 0.628 473 HD22 LEU 63 HD22 LEU 63 78.925 0.073 1.067 474 HD23 LEU 63 HD23 LEU 63 77.781 -1.256 0.877 475 H LEU 64 HN LEU 64 78.906 -3.049 6.288 476 HA LEU 64 HA LEU 64 81.170 -1.484 7.126 477 HB2 LEU 64 HB2 LEU 64 80.146 -4.238 7.678 478 HB3 LEU 64 HB1 LEU 64 81.839 -3.899 8.019 479 HG LEU 64 HG LEU 64 80.376 -3.537 9.970 480 HD11 LEU 64 HD11 LEU 64 81.565 -1.743 10.757 481 HD12 LEU 64 HD12 LEU 64 81.307 -0.781 9.305 482 HD13 LEU 64 HD13 LEU 64 82.506 -2.074 9.307 483 HD21 LEU 64 HD21 LEU 64 78.385 -2.772 8.649 484 HD22 LEU 64 HD22 LEU 64 79.214 -1.239 8.379 485 HD23 LEU 64 HD23 LEU 64 78.763 -1.721 10.013 486 H LEU 65 HN LEU 65 83.231 -1.948 6.879 487 HA LEU 65 HA LEU 65 84.175 -3.647 4.672 488 HB2 LEU 65 HB2 LEU 65 84.645 -0.683 4.931 489 HB3 LEU 65 HB1 LEU 65 85.719 -1.716 3.995 490 HG LEU 65 HG LEU 65 82.724 -1.504 3.537 491 HD11 LEU 65 HD11 LEU 65 83.479 -0.221 1.464 492 HD12 LEU 65 HD12 LEU 65 85.056 -0.080 2.240 493 HD13 LEU 65 HD13 LEU 65 83.632 0.634 2.998 494 HD21 LEU 65 HD21 LEU 65 84.979 -2.998 2.205 495 HD22 LEU 65 HD22 LEU 65 83.643 -2.421 1.208 496 HD23 LEU 65 HD23 LEU 65 83.330 -3.528 2.538 497 H LYS 66 HN LYS 66 86.663 -3.864 4.851 498 HA LYS 66 HA LYS 66 87.816 -3.114 7.384 499 HB2 LYS 66 HB2 LYS 66 87.270 -6.041 6.805 500 HB3 LYS 66 HB1 LYS 66 88.347 -5.455 8.067 501 HG2 LYS 66 HG2 LYS 66 86.416 -4.252 9.112 502 HG3 LYS 66 HG1 LYS 66 85.355 -4.957 7.890 503 HD2 LYS 66 HD2 LYS 66 85.993 -7.211 8.606 504 HD3 LYS 66 HD1 LYS 66 87.057 -6.531 9.832 505 HE2 LYS 66 HE2 LYS 66 85.114 -5.440 10.907 506 HE3 LYS 66 HE1 LYS 66 84.052 -6.143 9.687 507 HZ1 LYS 66 HZ1 LYS 66 83.921 -7.926 10.970 508 HZ2 LYS 66 HZ2 LYS 66 85.100 -7.329 12.037 509 HZ3 LYS 66 HZ3 LYS 66 85.563 -8.226 10.671 510 H ASN 67 HN ASN 67 90.048 -4.303 7.563 511 HA ASN 67 HA ASN 67 92.196 -4.194 6.608 512 HB2 ASN 67 HB2 ASN 67 90.736 -6.290 4.985 513 HB3 ASN 67 HB1 ASN 67 92.489 -6.107 5.032 514 HD21 ASN 67 HD21 ASN 67 89.946 -7.777 6.471 515 HD22 ASN 67 HD22 ASN 67 90.708 -8.199 7.928 516 H LEU 68 HN LEU 68 90.893 -2.024 5.620 517 HA LEU 68 HA LEU 68 90.499 -1.921 2.865 518 HB2 LEU 68 HB2 LEU 68 91.317 0.225 4.804 519 HB3 LEU 68 HB1 LEU 68 90.832 0.545 3.144 520 HG LEU 68 HG LEU 68 89.111 -0.925 5.156 521 HD11 LEU 68 HD11 LEU 68 89.610 1.507 5.698 522 HD12 LEU 68 HD12 LEU 68 87.912 1.123 5.471 523 HD13 LEU 68 HD13 LEU 68 88.805 1.929 4.187 524 HD21 LEU 68 HD21 LEU 68 87.381 -0.019 3.294 525 HD22 LEU 68 HD22 LEU 68 88.209 -1.562 3.116 526 HD23 LEU 68 HD23 LEU 68 88.811 -0.140 2.267 527 H ARG 69 HN ARG 69 91.941 -2.569 1.437 528 HA ARG 69 HA ARG 69 94.755 -1.712 1.648 529 HB2 ARG 69 HB2 ARG 69 94.779 -3.297 -0.516 530 HB3 ARG 69 HB1 ARG 69 94.806 -3.972 1.111 531 HG2 ARG 69 HG2 ARG 69 92.388 -4.302 1.059 532 HG3 ARG 69 HG1 ARG 69 92.287 -3.509 -0.514 533 HD2 ARG 69 HD2 ARG 69 93.973 -5.347 -1.283 534 HD3 ARG 69 HD1 ARG 69 93.463 -6.193 0.178 535 HE ARG 69 HE ARG 69 91.372 -5.245 -1.658 536 HH11 ARG 69 HH21 ARG 69 91.560 -7.485 0.622 537 HH12 ARG 69 HH22 ARG 69 91.225 -8.876 -0.353 538 HH21 ARG 69 HH11 ARG 69 91.668 -7.199 -3.355 539 HH22 ARG 69 HH12 ARG 69 91.290 -8.716 -2.609 540 HA PRO 70 HA PRO 70 94.354 1.506 -1.326 541 HB2 PRO 70 HB2 PRO 70 96.415 0.638 -3.164 542 HB3 PRO 70 HB1 PRO 70 96.525 1.896 -1.925 543 HG2 PRO 70 HG2 PRO 70 97.599 -0.804 -1.883 544 HG3 PRO 70 HG1 PRO 70 97.918 0.538 -0.778 545 HD2 PRO 70 HD2 PRO 70 96.429 -1.767 -0.166 546 HD3 PRO 70 HD1 PRO 70 96.438 -0.267 0.779 547 H GLN 71 HN GLN 71 94.748 -1.756 -2.549 548 HA GLN 71 HA GLN 71 93.746 -1.498 -5.128 549 HB2 GLN 71 HB2 GLN 71 94.727 -3.575 -4.316 550 HB3 GLN 71 HB1 GLN 71 93.410 -3.780 -3.165 551 HG2 GLN 71 HG2 GLN 71 91.801 -4.064 -4.955 552 HG3 GLN 71 HG1 GLN 71 93.016 -3.653 -6.168 553 HE21 GLN 71 HE21 GLN 71 93.830 -5.494 -7.181 554 HE22 GLN 71 HE22 GLN 71 94.033 -7.006 -6.439 555 H ASP 72 HN ASP 72 91.891 -2.307 -2.139 556 HA ASP 72 HA ASP 72 89.402 -2.520 -3.103 557 HB2 ASP 72 HB2 ASP 72 89.975 -2.722 -0.735 558 HB3 ASP 72 HB1 ASP 72 90.220 -0.980 -0.638 559 H SER 73 HN SER 73 91.073 0.653 -2.536 560 HA SER 73 HA SER 73 89.095 2.441 -2.829 561 HB2 SER 73 HB2 SER 73 91.698 2.509 -4.367 562 HB3 SER 73 HB1 SER 73 90.682 3.895 -3.984 563 HG SER 73 HG SER 73 91.132 3.620 -1.841 564 H CYS 74 HN CYS 74 87.378 2.380 -4.075 565 HA CYS 74 HA CYS 74 87.654 2.342 -6.964 566 HB2 CYS 74 HB2 CYS 74 86.324 0.384 -7.366 567 HB3 CYS 74 HB1 CYS 74 87.638 -0.076 -6.283 568 HG CYS 74 HG CYS 74 85.066 -0.807 -5.496 569 H ARG 75 HN ARG 75 85.197 2.000 -7.825 570 HA ARG 75 HA ARG 75 83.796 4.322 -6.826 571 HB2 ARG 75 HB2 ARG 75 83.988 3.816 -9.242 572 HB3 ARG 75 HB1 ARG 75 83.054 2.343 -8.990 573 HG2 ARG 75 HG2 ARG 75 81.164 3.728 -8.126 574 HG3 ARG 75 HG1 ARG 75 82.099 5.178 -8.500 575 HD2 ARG 75 HD2 ARG 75 81.380 3.045 -10.518 576 HD3 ARG 75 HD1 ARG 75 80.468 4.538 -10.291 577 HE ARG 75 HE ARG 75 83.108 5.303 -10.696 578 HH11 ARG 75 HH21 ARG 75 80.257 4.791 -12.381 579 HH12 ARG 75 HH22 ARG 75 80.981 4.672 -13.951 580 HH21 ARG 75 HH11 ARG 75 84.230 4.610 -12.740 581 HH22 ARG 75 HH12 ARG 75 83.231 4.577 -14.154 582 H VAL 76 HN VAL 76 81.949 4.365 -5.658 583 HA VAL 76 HA VAL 76 80.773 1.783 -4.814 584 HB VAL 76 HB VAL 76 80.677 4.455 -3.406 585 HG11 VAL 76 HG11 VAL 76 78.739 2.914 -3.008 586 HG12 VAL 76 HG12 VAL 76 79.708 3.187 -1.564 587 HG13 VAL 76 HG13 VAL 76 79.878 1.684 -2.469 588 HG21 VAL 76 HG21 VAL 76 82.946 3.361 -3.490 589 HG22 VAL 76 HG22 VAL 76 82.237 1.953 -2.698 590 HG23 VAL 76 HG23 VAL 76 82.288 3.503 -1.859 591 H THR 77 HN THR 77 78.912 1.361 -5.850 592 HA THR 77 HA THR 77 77.112 3.635 -6.508 593 HB THR 77 HB THR 77 77.632 1.172 -8.184 594 HG1 THR 77 HG1 THR 77 78.954 2.379 -9.300 595 HG21 THR 77 HG21 THR 77 75.398 1.845 -8.559 596 HG22 THR 77 HG22 THR 77 76.314 2.617 -9.853 597 HG23 THR 77 HG23 THR 77 75.806 3.558 -8.451 598 H PHE 78 HN PHE 78 75.083 3.440 -5.822 599 HA PHE 78 HA PHE 78 73.971 0.755 -5.293 600 HB2 PHE 78 HB2 PHE 78 74.690 1.535 -3.130 601 HB3 PHE 78 HB1 PHE 78 74.007 3.132 -3.409 602 HD1 PHE 78 HD2 PHE 78 72.724 -0.398 -3.746 603 HD2 PHE 78 HD1 PHE 78 72.123 3.518 -2.084 604 HE1 PHE 78 HE2 PHE 78 70.612 -1.163 -2.712 605 HE2 PHE 78 HE1 PHE 78 70.010 2.746 -1.048 606 HZ PHE 78 HZ PHE 78 69.257 0.405 -1.360 607 H LEU 79 HN LEU 79 72.077 0.546 -6.359 608 HA LEU 79 HA LEU 79 70.658 3.005 -7.227 609 HB2 LEU 79 HB2 LEU 79 71.717 1.408 -8.933 610 HB3 LEU 79 HB1 LEU 79 70.438 0.280 -8.506 611 HG LEU 79 HG LEU 79 69.854 3.127 -9.374 612 HD11 LEU 79 HD11 LEU 79 70.142 0.638 -11.064 613 HD12 LEU 79 HD12 LEU 79 71.081 2.127 -11.189 614 HD13 LEU 79 HD13 LEU 79 69.370 2.123 -11.621 615 HD21 LEU 79 HD21 LEU 79 67.690 1.816 -10.133 616 HD22 LEU 79 HD22 LEU 79 67.882 2.261 -8.443 617 HD23 LEU 79 HD23 LEU 79 68.232 0.615 -8.962 618 H ALA 80 HN ALA 80 69.208 3.260 -5.541 619 HA ALA 80 HA ALA 80 67.304 1.056 -5.008 620 HB1 ALA 80 HB1 ALA 80 68.415 2.105 -3.059 621 HB2 ALA 80 HB2 ALA 80 66.672 2.331 -3.032 622 HB3 ALA 80 HB3 ALA 80 67.728 3.656 -3.520 623 H GLY 81 HN GLY 81 65.971 1.267 -6.833 624 HA2 GLY 81 HA2 GLY 81 64.307 2.150 -8.170 625 HA3 GLY 81 HA1 GLY 81 63.754 2.916 -6.683 626 H ASP 82 HN ASP 82 63.054 4.672 -8.156 627 HA ASP 82 HA ASP 82 64.557 6.193 -9.835 628 HB2 ASP 82 HB2 ASP 82 62.483 7.057 -7.808 629 HB3 ASP 82 HB1 ASP 82 63.166 8.160 -9.004 630 H MET 83 HN MET 83 65.228 5.697 -6.551 631 HA MET 83 HA MET 83 66.798 8.186 -6.297 632 HB2 MET 83 HB2 MET 83 66.421 6.078 -4.172 633 HB3 MET 83 HB1 MET 83 66.891 7.766 -3.982 634 HG2 MET 83 HG2 MET 83 64.610 8.352 -5.014 635 HG3 MET 83 HG1 MET 83 64.180 6.667 -4.719 636 HE1 MET 83 HE1 MET 83 64.190 6.209 -0.978 637 HE2 MET 83 HE2 MET 83 65.650 5.936 -1.923 638 HE3 MET 83 HE3 MET 83 64.083 5.514 -2.600 639 H VAL 84 HN VAL 84 68.927 8.182 -6.711 640 HA VAL 84 HA VAL 84 70.444 5.653 -6.383 641 HB VAL 84 HB VAL 84 71.632 6.050 -8.409 642 HG11 VAL 84 HG11 VAL 84 68.780 6.773 -9.100 643 HG12 VAL 84 HG12 VAL 84 69.212 5.173 -8.504 644 HG13 VAL 84 HG13 VAL 84 69.904 5.767 -10.014 645 HG21 VAL 84 HG21 VAL 84 71.970 8.417 -8.404 646 HG22 VAL 84 HG22 VAL 84 70.236 8.738 -8.374 647 HG23 VAL 84 HG23 VAL 84 70.988 8.089 -9.831 648 H THR 85 HN THR 85 72.249 5.831 -5.208 649 HA THR 85 HA THR 85 73.396 8.530 -4.721 650 HB THR 85 HB THR 85 73.541 8.115 -2.437 651 HG1 THR 85 HG1 THR 85 73.243 5.336 -2.843 652 HG21 THR 85 HG21 THR 85 71.137 8.006 -3.151 653 HG22 THR 85 HG22 THR 85 71.474 7.130 -1.657 654 HG23 THR 85 HG23 THR 85 71.271 6.247 -3.169 655 H SER 86 HN SER 86 75.625 8.669 -4.918 656 HA SER 86 HA SER 86 77.250 6.246 -4.976 657 HB2 SER 86 HB2 SER 86 77.138 8.028 -7.416 658 HB3 SER 86 HB1 SER 86 78.117 6.580 -7.210 659 HG SER 86 HG SER 86 75.307 6.539 -6.932 660 H ALA 87 HN ALA 87 79.286 6.613 -4.324 661 HA ALA 87 HA ALA 87 80.458 9.291 -4.524 662 HB1 ALA 87 HB1 ALA 87 81.073 9.249 -2.106 663 HB2 ALA 87 HB2 ALA 87 80.011 7.857 -1.899 664 HB3 ALA 87 HB3 ALA 87 79.341 9.414 -2.386 665 H PHE 88 HN PHE 88 82.743 9.301 -4.011 666 HA PHE 88 HA PHE 88 84.029 6.932 -5.031 667 HB2 PHE 88 HB2 PHE 88 85.215 9.542 -4.081 668 HB3 PHE 88 HB1 PHE 88 86.025 8.317 -5.059 669 HD1 PHE 88 HD1 PHE 88 85.269 7.861 -7.387 670 HD2 PHE 88 HD2 PHE 88 83.597 11.051 -5.041 671 HE1 PHE 88 HE1 PHE 88 84.313 8.872 -9.441 672 HE2 PHE 88 HE2 PHE 88 82.647 12.063 -7.096 673 HZ PHE 88 HZ PHE 88 83.003 10.974 -9.294 674 H LEU 89 HN LEU 89 86.080 6.199 -4.083 675 HA LEU 89 HA LEU 89 86.087 6.105 -1.122 676 HB2 LEU 89 HB2 LEU 89 85.177 3.978 -1.928 677 HB3 LEU 89 HB1 LEU 89 86.539 3.790 -3.030 678 HG LEU 89 HG LEU 89 88.092 3.693 -1.109 679 HD11 LEU 89 HD11 LEU 89 87.180 4.977 0.609 680 HD12 LEU 89 HD12 LEU 89 86.847 3.346 1.188 681 HD13 LEU 89 HD13 LEU 89 85.568 4.286 0.418 682 HD21 LEU 89 HD21 LEU 89 87.087 1.609 -1.957 683 HD22 LEU 89 HD22 LEU 89 85.734 1.803 -0.844 684 HD23 LEU 89 HD23 LEU 89 87.357 1.514 -0.217 685 H THR 90 HN THR 90 88.106 6.316 -0.218 686 HA THR 90 HA THR 90 90.464 6.197 -1.995 687 HB THR 90 HB THR 90 91.304 8.311 -0.967 688 HG1 THR 90 HG1 THR 90 88.688 8.250 0.085 689 HG21 THR 90 HG21 THR 90 89.946 9.776 -2.382 690 HG22 THR 90 HG22 THR 90 88.668 8.560 -2.448 691 HG23 THR 90 HG23 THR 90 90.229 8.244 -3.207 692 H VAL 91 HN VAL 91 92.046 5.064 -1.110 693 HA VAL 91 HA VAL 91 92.334 5.007 1.835 694 HB VAL 91 HB VAL 91 92.188 2.614 -0.012 695 HG11 VAL 91 HG11 VAL 91 92.719 1.283 2.055 696 HG12 VAL 91 HG12 VAL 91 93.152 2.788 2.860 697 HG13 VAL 91 HG13 VAL 91 94.079 2.230 1.467 698 HG21 VAL 91 HG21 VAL 91 90.337 1.935 1.320 699 HG22 VAL 91 HG22 VAL 91 90.077 3.652 1.034 700 HG23 VAL 91 HG23 VAL 91 90.714 3.106 2.584 701 H ARG 92 HN ARG 92 94.422 5.499 2.399 702 HA ARG 92 HA ARG 92 96.493 5.391 0.337 703 HB2 ARG 92 HB2 ARG 92 96.493 6.517 3.141 704 HB3 ARG 92 HB1 ARG 92 97.844 6.622 2.014 705 HG2 ARG 92 HG2 ARG 92 96.414 7.842 0.414 706 HG3 ARG 92 HG1 ARG 92 95.067 7.744 1.550 707 HD2 ARG 92 HD2 ARG 92 97.723 9.010 2.248 708 HD3 ARG 92 HD1 ARG 92 96.362 9.926 1.608 709 HE ARG 92 HE ARG 92 95.425 8.473 3.810 710 HH11 ARG 92 HH21 ARG 92 98.405 9.873 4.011 711 HH12 ARG 92 HH22 ARG 92 97.985 11.114 5.143 712 HH21 ARG 92 HH11 ARG 92 94.576 10.572 4.887 713 HH22 ARG 92 HH12 ARG 92 95.823 11.512 5.635 714 H GLY 93 HN GLY 93 98.076 3.943 0.246 715 HA2 GLY 93 HA2 GLY 93 99.039 2.545 2.589 716 HA3 GLY 93 HA1 GLY 93 98.173 1.518 1.447 717 H GLY 94 HN GLY 94 101.180 2.580 2.303 718 HA2 GLY 94 HA2 GLY 94 102.359 2.869 -0.324 719 HA3 GLY 94 HA1 GLY 94 103.223 2.801 1.210 720 H LEU 95 HN LEU 95 104.596 1.429 -0.418 721 HA LEU 95 HA LEU 95 103.660 -1.387 -0.413 722 HB2 LEU 95 HB2 LEU 95 105.942 -0.214 -2.024 723 HB3 LEU 95 HB1 LEU 95 105.219 -1.805 -2.198 724 HG LEU 95 HG LEU 95 104.321 -0.493 -3.968 725 HD11 LEU 95 HD11 LEU 95 102.707 -1.855 -2.470 726 HD12 LEU 95 HD12 LEU 95 102.011 -0.704 -3.610 727 HD13 LEU 95 HD13 LEU 95 102.138 -0.283 -1.903 728 HD21 LEU 95 HD21 LEU 95 103.168 1.632 -2.189 729 HD22 LEU 95 HD22 LEU 95 103.678 1.725 -3.869 730 HD23 LEU 95 HD23 LEU 95 104.883 1.736 -2.587 731 H GLU 96 HN GLU 96 104.552 -2.736 0.983 732 HA GLU 96 HA GLU 96 106.800 -1.909 2.611 733 HB2 GLU 96 HB2 GLU 96 104.911 -3.187 3.583 734 HB3 GLU 96 HB1 GLU 96 105.317 -4.556 2.546 735 HG2 GLU 96 HG2 GLU 96 107.544 -4.703 3.587 736 HG3 GLU 96 HG1 GLU 96 107.172 -3.308 4.597 737 H HIS 97 HN HIS 97 108.847 -2.153 1.975 738 HA HIS 97 HA HIS 97 109.739 -4.640 0.778 739 HB2 HIS 97 HB2 HIS 97 108.929 -3.375 -1.188 740 HB3 HIS 97 HB1 HIS 97 110.022 -2.056 -0.768 741 HD1 HIS 97 HD1 HIS 97 110.186 -5.776 -1.583 742 HD2 HIS 97 HD2 HIS 97 112.582 -2.371 -1.776 743 HE1 HIS 97 HE1 HIS 97 112.315 -6.465 -2.768 744 H HIS 98 HN HIS 98 110.232 -1.980 2.714 745 HA HIS 98 HA HIS 98 113.116 -2.587 2.933 746 HB2 HIS 98 HB2 HIS 98 112.771 -0.534 1.514 747 HB3 HIS 98 HB1 HIS 98 112.024 0.234 2.914 748 HD1 HIS 98 HD1 HIS 98 113.565 1.107 4.741 749 HD2 HIS 98 HD2 HIS 98 115.593 -1.162 1.892 750 HE1 HIS 98 HE1 HIS 98 116.034 1.366 5.244 751 H HIS 99 HN HIS 99 110.252 -2.594 4.405 752 HA HIS 99 HA HIS 99 111.368 -1.877 7.066 753 HB2 HIS 99 HB2 HIS 99 108.553 -1.569 6.003 754 HB3 HIS 99 HB1 HIS 99 108.982 -1.410 7.706 755 HD1 HIS 99 HD1 HIS 99 109.603 0.204 4.344 756 HD2 HIS 99 HD2 HIS 99 110.228 1.011 8.385 757 HE1 HIS 99 HE1 HIS 99 110.380 2.610 4.480 758 H HIS 100 HN HIS 100 111.807 -4.408 6.085 759 HA HIS 100 HA HIS 100 109.699 -6.195 6.984 760 HB2 HIS 100 HB2 HIS 100 112.517 -6.746 6.020 761 HB3 HIS 100 HB1 HIS 100 111.296 -7.976 6.354 762 HD1 HIS 100 HD1 HIS 100 109.127 -7.936 4.810 763 HD2 HIS 100 HD2 HIS 100 112.251 -5.485 3.538 764 HE1 HIS 100 HE1 HIS 100 108.614 -7.307 2.410 765 H HIS 101 HN HIS 101 112.519 -7.669 7.734 766 HA HIS 101 HA HIS 101 111.988 -7.837 10.498 767 HB2 HIS 101 HB2 HIS 101 113.192 -9.554 9.161 768 HB3 HIS 101 HB1 HIS 101 114.564 -8.452 9.037 769 HD1 HIS 101 HD1 HIS 101 116.233 -8.575 10.889 770 HD2 HIS 101 HD2 HIS 101 112.543 -10.144 12.027 771 HE1 HIS 101 HE1 HIS 101 116.540 -9.504 13.225 772 H HIS 102 HN HIS 102 114.496 -6.048 8.695 773 HA HIS 102 HA HIS 102 115.644 -4.894 11.047 774 HB2 HIS 102 HB2 HIS 102 116.924 -3.522 9.448 775 HB3 HIS 102 HB1 HIS 102 116.957 -5.228 9.008 776 HD1 HIS 102 HD1 HIS 102 117.495 -3.483 6.692 777 HD2 HIS 102 HD2 HIS 102 113.585 -4.324 7.867 778 HE1 HIS 102 HE1 HIS 102 116.033 -3.066 4.666 Start of MODEL 12 1 H1 THR 1 HT1 THR 1 57.314 1.433 -3.080 2 H2 THR 1 HT2 THR 1 56.812 3.014 -3.447 3 H3 THR 1 HT3 THR 1 57.541 2.053 -4.642 4 HA THR 1 HA THR 1 55.498 1.524 -5.294 5 HB THR 1 HB THR 1 55.108 0.128 -2.645 6 HG1 THR 1 HG1 THR 1 56.618 -1.103 -4.613 7 HG21 THR 1 HG21 THR 1 53.498 0.018 -4.676 8 HG22 THR 1 HG22 THR 1 53.992 -1.503 -3.934 9 HG23 THR 1 HG23 THR 1 54.751 -0.965 -5.432 10 H ALA 2 HN ALA 2 55.885 3.663 -2.897 11 HA ALA 2 HA ALA 2 53.146 4.591 -3.044 12 HB1 ALA 2 HB1 ALA 2 52.839 3.108 -1.190 13 HB2 ALA 2 HB2 ALA 2 52.970 4.734 -0.519 14 HB3 ALA 2 HB3 ALA 2 54.347 3.633 -0.441 15 H LYS 3 HN LYS 3 56.377 4.896 -1.653 16 HA LYS 3 HA LYS 3 56.581 7.635 -2.445 17 HB2 LYS 3 HB2 LYS 3 55.185 7.801 -0.348 18 HB3 LYS 3 HB1 LYS 3 56.552 7.107 0.532 19 HG2 LYS 3 HG2 LYS 3 57.993 8.949 -0.205 20 HG3 LYS 3 HG1 LYS 3 56.659 9.639 -1.134 21 HD2 LYS 3 HD2 LYS 3 55.351 9.892 0.951 22 HD3 LYS 3 HD1 LYS 3 56.709 9.239 1.869 23 HE2 LYS 3 HE2 LYS 3 58.134 11.094 1.091 24 HE3 LYS 3 HE1 LYS 3 56.783 11.749 0.168 25 HZ1 LYS 3 HZ1 LYS 3 57.388 12.322 2.768 26 HZ2 LYS 3 HZ2 LYS 3 56.086 11.239 2.890 27 HZ3 LYS 3 HZ3 LYS 3 55.925 12.667 1.983 28 H ASN 4 HN ASN 4 58.689 7.881 -2.970 29 HA ASN 4 HA ASN 4 60.734 6.631 -1.266 30 HB2 ASN 4 HB2 ASN 4 61.243 6.590 -4.206 31 HB3 ASN 4 HB1 ASN 4 61.761 5.462 -2.952 32 HD21 ASN 4 HD21 ASN 4 59.396 6.034 -5.407 33 HD22 ASN 4 HD22 ASN 4 58.412 4.694 -5.067 34 H THR 5 HN THR 5 61.831 8.397 -0.497 35 HA THR 5 HA THR 5 62.662 10.439 -2.458 36 HB THR 5 HB THR 5 61.454 11.014 0.266 37 HG1 THR 5 HG1 THR 5 60.230 12.255 -1.687 38 HG21 THR 5 HG21 THR 5 63.166 12.623 -0.150 39 HG22 THR 5 HG22 THR 5 61.649 13.400 -0.604 40 HG23 THR 5 HG23 THR 5 62.719 12.759 -1.851 41 H VAL 6 HN VAL 6 64.793 10.275 -2.451 42 HA VAL 6 HA VAL 6 66.333 9.114 -0.414 43 HB VAL 6 HB VAL 6 67.023 9.456 -2.825 44 HG11 VAL 6 HG11 VAL 6 66.399 11.975 -2.685 45 HG12 VAL 6 HG12 VAL 6 67.865 11.535 -3.560 46 HG13 VAL 6 HG13 VAL 6 67.977 12.176 -1.921 47 HG21 VAL 6 HG21 VAL 6 69.432 9.926 -2.192 48 HG22 VAL 6 HG22 VAL 6 68.653 8.666 -1.236 49 HG23 VAL 6 HG23 VAL 6 68.861 10.282 -0.562 50 H VAL 7 HN VAL 7 66.889 9.798 1.495 51 HA VAL 7 HA VAL 7 66.522 12.590 2.264 52 HB VAL 7 HB VAL 7 67.464 10.325 4.020 53 HG11 VAL 7 HG11 VAL 7 66.561 11.643 5.791 54 HG12 VAL 7 HG12 VAL 7 65.688 12.685 4.667 55 HG13 VAL 7 HG13 VAL 7 67.447 12.776 4.769 56 HG21 VAL 7 HG21 VAL 7 64.651 11.009 3.122 57 HG22 VAL 7 HG22 VAL 7 65.003 10.012 4.535 58 HG23 VAL 7 HG23 VAL 7 65.489 9.468 2.927 59 H ARG 8 HN ARG 8 69.043 10.142 2.000 60 HA ARG 8 HA ARG 8 71.082 12.200 1.749 61 HB2 ARG 8 HB2 ARG 8 71.295 11.999 4.087 62 HB3 ARG 8 HB1 ARG 8 71.007 10.261 4.057 63 HG2 ARG 8 HG2 ARG 8 73.160 9.806 3.146 64 HG3 ARG 8 HG1 ARG 8 73.428 11.488 2.697 65 HD2 ARG 8 HD2 ARG 8 73.381 12.048 5.168 66 HD3 ARG 8 HD1 ARG 8 73.307 10.319 5.500 67 HE ARG 8 HE ARG 8 75.512 10.953 3.792 68 HH11 ARG 8 HH11 ARG 8 75.249 12.728 6.450 69 HH12 ARG 8 HH12 ARG 8 76.435 11.924 7.423 70 HH21 ARG 8 HH21 ARG 8 76.686 9.179 5.313 71 HH22 ARG 8 HH22 ARG 8 77.248 9.909 6.781 72 H GLY 9 HN GLY 9 72.558 11.646 0.333 73 HA2 GLY 9 HA2 GLY 9 72.578 8.905 -0.717 74 HA3 GLY 9 HA1 GLY 9 73.236 10.334 -1.520 75 H LEU 10 HN LEU 10 74.999 8.493 -1.627 76 HA LEU 10 HA LEU 10 76.606 8.091 0.707 77 HB2 LEU 10 HB2 LEU 10 77.197 7.697 -2.240 78 HB3 LEU 10 HB1 LEU 10 78.205 7.102 -0.922 79 HG LEU 10 HG LEU 10 75.266 6.403 -1.030 80 HD11 LEU 10 HD11 LEU 10 77.520 4.915 -2.415 81 HD12 LEU 10 HD12 LEU 10 76.197 5.760 -3.212 82 HD13 LEU 10 HD13 LEU 10 75.865 4.331 -2.239 83 HD21 LEU 10 HD21 LEU 10 76.178 4.331 0.110 84 HD22 LEU 10 HD22 LEU 10 76.360 5.822 1.027 85 HD23 LEU 10 HD23 LEU 10 77.743 5.138 0.170 86 H GLU 11 HN GLU 11 78.835 8.899 0.972 87 HA GLU 11 HA GLU 11 79.412 11.403 -0.474 88 HB2 GLU 11 HB2 GLU 11 80.095 12.442 1.686 89 HB3 GLU 11 HB1 GLU 11 78.363 12.129 1.587 90 HG2 GLU 11 HG2 GLU 11 78.600 10.110 2.921 91 HG3 GLU 11 HG1 GLU 11 80.355 10.278 2.927 92 H ASN 12 HN ASN 12 81.703 12.161 0.327 93 HA ASN 12 HA ASN 12 83.535 10.200 -0.527 94 HB2 ASN 12 HB2 ASN 12 85.273 11.806 0.121 95 HB3 ASN 12 HB1 ASN 12 83.965 12.604 -0.750 96 HD21 ASN 12 HD21 ASN 12 85.323 14.386 0.691 97 HD22 ASN 12 HD22 ASN 12 84.561 14.767 2.158 98 H VAL 13 HN VAL 13 84.964 8.904 0.527 99 HA VAL 13 HA VAL 13 84.937 8.842 3.483 100 HB VAL 13 HB VAL 13 84.469 6.466 1.667 101 HG11 VAL 13 HG11 VAL 13 86.029 5.638 3.238 102 HG12 VAL 13 HG12 VAL 13 84.470 5.241 3.957 103 HG13 VAL 13 HG13 VAL 13 85.379 6.634 4.541 104 HG21 VAL 13 HG21 VAL 13 82.925 7.654 3.997 105 HG22 VAL 13 HG22 VAL 13 82.485 6.171 3.148 106 HG23 VAL 13 HG23 VAL 13 82.450 7.718 2.300 107 H GLU 14 HN GLU 14 86.937 8.543 4.354 108 HA GLU 14 HA GLU 14 89.122 7.597 2.595 109 HB2 GLU 14 HB2 GLU 14 89.123 10.078 2.586 110 HB3 GLU 14 HB1 GLU 14 89.274 10.065 4.344 111 HG2 GLU 14 HG2 GLU 14 91.402 8.867 4.184 112 HG3 GLU 14 HG1 GLU 14 91.240 8.769 2.432 113 H ALA 15 HN ALA 15 90.543 6.274 3.561 114 HA ALA 15 HA ALA 15 90.908 6.262 6.442 115 HB1 ALA 15 HB1 ALA 15 89.797 3.809 5.058 116 HB2 ALA 15 HB2 ALA 15 88.867 4.875 6.112 117 HB3 ALA 15 HB3 ALA 15 90.221 3.952 6.764 118 H LEU 16 HN LEU 16 92.756 5.101 7.089 119 HA LEU 16 HA LEU 16 94.765 4.819 5.041 120 HB2 LEU 16 HB2 LEU 16 96.186 4.086 7.004 121 HB3 LEU 16 HB1 LEU 16 95.500 5.703 7.133 122 HG LEU 16 HG LEU 16 93.762 3.539 8.230 123 HD11 LEU 16 HD11 LEU 16 95.127 3.533 10.391 124 HD12 LEU 16 HD12 LEU 16 96.466 4.158 9.425 125 HD13 LEU 16 HD13 LEU 16 95.772 2.581 9.053 126 HD21 LEU 16 HD21 LEU 16 94.741 6.037 9.625 127 HD22 LEU 16 HD22 LEU 16 93.217 5.178 9.846 128 HD23 LEU 16 HD23 LEU 16 93.494 6.118 8.381 129 H GLU 17 HN GLU 17 96.077 2.837 4.795 130 HA GLU 17 HA GLU 17 94.711 0.636 3.979 131 HB2 GLU 17 HB2 GLU 17 96.796 -0.709 4.463 132 HB3 GLU 17 HB1 GLU 17 97.032 0.736 3.486 133 HG2 GLU 17 HG2 GLU 17 98.782 0.776 5.101 134 HG3 GLU 17 HG1 GLU 17 97.598 1.940 5.688 135 H GLY 18 HN GLY 18 94.514 -1.556 4.888 136 HA2 GLY 18 HA2 GLY 18 93.442 -2.894 6.434 137 HA3 GLY 18 HA1 GLY 18 94.746 -2.357 7.492 138 H GLY 19 HN GLY 19 92.646 0.065 6.228 139 HA2 GLY 19 HA2 GLY 19 91.673 0.673 8.906 140 HA3 GLY 19 HA1 GLY 19 91.481 1.664 7.466 141 H GLU 20 HN GLU 20 89.284 1.873 8.403 142 HA GLU 20 HA GLU 20 87.497 -0.255 7.372 143 HB2 GLU 20 HB2 GLU 20 87.640 -0.398 9.844 144 HB3 GLU 20 HB1 GLU 20 87.143 1.290 9.956 145 HG2 GLU 20 HG2 GLU 20 85.017 0.759 8.846 146 HG3 GLU 20 HG1 GLU 20 85.520 -0.920 8.667 147 H ALA 21 HN ALA 21 85.537 0.478 6.494 148 HA ALA 21 HA ALA 21 85.145 3.408 6.322 149 HB1 ALA 21 HB1 ALA 21 85.330 1.415 4.065 150 HB2 ALA 21 HB2 ALA 21 86.164 2.958 4.240 151 HB3 ALA 21 HB3 ALA 21 84.439 2.924 3.883 152 H LEU 22 HN LEU 22 83.084 4.041 6.560 153 HA LEU 22 HA LEU 22 80.923 2.022 6.372 154 HB2 LEU 22 HB2 LEU 22 81.185 4.149 8.516 155 HB3 LEU 22 HB1 LEU 22 79.851 3.017 8.334 156 HG LEU 22 HG LEU 22 81.842 1.211 8.449 157 HD11 LEU 22 HD11 LEU 22 83.508 1.967 10.165 158 HD12 LEU 22 HD12 LEU 22 82.890 3.608 9.993 159 HD13 LEU 22 HD13 LEU 22 83.672 2.813 8.627 160 HD21 LEU 22 HD21 LEU 22 79.928 1.294 9.990 161 HD22 LEU 22 HD22 LEU 22 80.671 2.634 10.863 162 HD23 LEU 22 HD23 LEU 22 81.423 1.040 10.892 163 H PHE 23 HN PHE 23 79.298 2.649 5.079 164 HA PHE 23 HA PHE 23 79.041 5.538 4.429 165 HB2 PHE 23 HB2 PHE 23 78.336 3.057 2.855 166 HB3 PHE 23 HB1 PHE 23 77.780 4.657 2.420 167 HD1 PHE 23 HD2 PHE 23 80.724 2.458 2.714 168 HD2 PHE 23 HD1 PHE 23 79.295 6.334 1.536 169 HE1 PHE 23 HE2 PHE 23 82.861 2.887 1.527 170 HE2 PHE 23 HE1 PHE 23 81.428 6.758 0.346 171 HZ PHE 23 HZ PHE 23 83.209 5.038 0.340 172 H GLU 24 HN GLU 24 77.525 6.315 5.816 173 HA GLU 24 HA GLU 24 75.115 4.718 6.386 174 HB2 GLU 24 HB2 GLU 24 76.236 7.247 7.607 175 HB3 GLU 24 HB1 GLU 24 74.708 6.508 8.092 176 HG2 GLU 24 HG2 GLU 24 75.861 4.442 8.691 177 HG3 GLU 24 HG1 GLU 24 77.391 5.106 8.128 178 H CYS 25 HN CYS 25 73.517 4.954 4.991 179 HA CYS 25 HA CYS 25 72.822 7.671 4.018 180 HB2 CYS 25 HB2 CYS 25 72.937 5.023 2.612 181 HB3 CYS 25 HB1 CYS 25 71.752 6.221 2.088 182 HG CYS 25 HG CYS 25 74.645 7.266 2.334 183 H GLN 26 HN GLN 26 70.624 8.196 3.971 184 HA GLN 26 HA GLN 26 68.805 6.338 5.418 185 HB2 GLN 26 HB2 GLN 26 68.990 9.356 5.481 186 HB3 GLN 26 HB1 GLN 26 67.606 8.462 6.108 187 HG2 GLN 26 HG2 GLN 26 69.036 7.276 7.683 188 HG3 GLN 26 HG1 GLN 26 70.470 8.041 7.004 189 HE21 GLN 26 HE21 GLN 26 70.555 8.694 9.481 190 HE22 GLN 26 HE22 GLN 26 69.814 10.172 9.869 191 H LEU 27 HN LEU 27 67.015 5.740 4.373 192 HA LEU 27 HA LEU 27 66.226 7.222 1.926 193 HB2 LEU 27 HB2 LEU 27 66.226 4.277 2.553 194 HB3 LEU 27 HB1 LEU 27 65.161 4.928 1.313 195 HG LEU 27 HG LEU 27 68.174 5.262 1.366 196 HD11 LEU 27 HD11 LEU 27 67.928 3.711 -0.678 197 HD12 LEU 27 HD12 LEU 27 66.305 3.366 -0.080 198 HD13 LEU 27 HD13 LEU 27 67.712 2.968 0.909 199 HD21 LEU 27 HD21 LEU 27 67.525 7.050 0.042 200 HD22 LEU 27 HD22 LEU 27 65.962 6.340 -0.357 201 HD23 LEU 27 HD23 LEU 27 67.423 5.797 -1.188 202 H SER 28 HN SER 28 64.158 7.761 1.608 203 HA SER 28 HA SER 28 62.323 7.353 3.861 204 HB2 SER 28 HB2 SER 28 62.709 9.665 2.865 205 HB3 SER 28 HB1 SER 28 61.882 9.073 1.428 206 HG SER 28 HG SER 28 60.199 9.741 2.541 207 H GLN 29 HN GLN 29 61.788 5.177 3.444 208 HA GLN 29 HA GLN 29 59.628 4.689 1.721 209 HB2 GLN 29 HB2 GLN 29 61.559 4.764 0.053 210 HB3 GLN 29 HB1 GLN 29 62.176 3.316 0.845 211 HG2 GLN 29 HG2 GLN 29 59.812 2.337 0.475 212 HG3 GLN 29 HG1 GLN 29 59.584 3.668 -0.659 213 HE21 GLN 29 HE21 GLN 29 62.356 3.705 -1.642 214 HE22 GLN 29 HE22 GLN 29 62.567 2.292 -2.558 215 HA PRO 30 HA PRO 30 60.280 1.753 5.213 216 HB2 PRO 30 HB2 PRO 30 57.407 1.419 5.411 217 HB3 PRO 30 HB1 PRO 30 58.496 2.223 6.552 218 HG2 PRO 30 HG2 PRO 30 56.591 3.457 4.874 219 HG3 PRO 30 HG1 PRO 30 57.829 4.260 5.850 220 HD2 PRO 30 HD2 PRO 30 57.756 3.859 2.934 221 HD3 PRO 30 HD1 PRO 30 58.784 4.945 3.888 222 H GLU 31 HN GLU 31 59.865 1.350 2.162 223 HA GLU 31 HA GLU 31 59.214 -1.530 2.322 224 HB2 GLU 31 HB2 GLU 31 57.254 -0.220 1.447 225 HB3 GLU 31 HB1 GLU 31 58.278 0.342 0.127 226 HG2 GLU 31 HG2 GLU 31 58.610 -1.943 -0.645 227 HG3 GLU 31 HG1 GLU 31 57.713 -2.573 0.735 228 H VAL 32 HN VAL 32 60.107 -2.711 0.428 229 HA VAL 32 HA VAL 32 61.662 -2.018 -1.600 230 HB VAL 32 HB VAL 32 63.090 -0.530 -0.298 231 HG11 VAL 32 HG11 VAL 32 64.159 -1.105 1.704 232 HG12 VAL 32 HG12 VAL 32 64.091 -2.833 1.367 233 HG13 VAL 32 HG13 VAL 32 62.640 -1.979 1.879 234 HG21 VAL 32 HG21 VAL 32 65.184 -1.352 -0.990 235 HG22 VAL 32 HG22 VAL 32 64.032 -2.111 -2.090 236 HG23 VAL 32 HG23 VAL 32 64.695 -3.026 -0.739 237 H ALA 33 HN ALA 33 61.563 -3.996 -2.502 238 HA ALA 33 HA ALA 33 62.285 -6.358 -0.880 239 HB1 ALA 33 HB1 ALA 33 61.252 -7.546 -2.938 240 HB2 ALA 33 HB2 ALA 33 60.637 -5.950 -3.370 241 HB3 ALA 33 HB3 ALA 33 60.165 -6.694 -1.844 242 H ALA 34 HN ALA 34 62.899 -4.799 -4.019 243 HA ALA 34 HA ALA 34 65.421 -6.367 -4.238 244 HB1 ALA 34 HB1 ALA 34 63.636 -6.896 -5.947 245 HB2 ALA 34 HB2 ALA 34 65.175 -6.359 -6.619 246 HB3 ALA 34 HB3 ALA 34 63.813 -5.243 -6.535 247 H HIS 35 HN HIS 35 67.256 -5.326 -4.746 248 HA HIS 35 HA HIS 35 67.285 -2.534 -5.546 249 HB2 HIS 35 HB2 HIS 35 69.026 -2.366 -3.401 250 HB3 HIS 35 HB1 HIS 35 67.361 -1.793 -3.378 251 HD1 HIS 35 HD1 HIS 35 65.541 -3.654 -2.579 252 HD2 HIS 35 HD2 HIS 35 69.512 -4.410 -1.566 253 HE1 HIS 35 HE1 HIS 35 65.482 -5.375 -0.726 254 H THR 36 HN THR 36 69.597 -1.793 -5.892 255 HA THR 36 HA THR 36 71.325 -4.106 -6.636 256 HB THR 36 HB THR 36 70.871 -1.479 -8.069 257 HG1 THR 36 HG1 THR 36 70.106 -4.126 -8.396 258 HG21 THR 36 HG21 THR 36 73.189 -1.891 -8.316 259 HG22 THR 36 HG22 THR 36 72.461 -2.590 -9.763 260 HG23 THR 36 HG23 THR 36 72.950 -3.635 -8.430 261 H TRP 37 HN TRP 37 72.838 -4.144 -5.056 262 HA TRP 37 HA TRP 37 74.202 -1.612 -4.305 263 HB2 TRP 37 HB2 TRP 37 73.528 -4.155 -2.874 264 HB3 TRP 37 HB1 TRP 37 75.040 -3.379 -2.437 265 HD1 TRP 37 HD1 TRP 37 71.265 -2.893 -2.284 266 HE1 TRP 37 HE1 TRP 37 70.755 -0.975 -0.634 267 HE3 TRP 37 HE3 TRP 37 75.993 -1.182 -1.446 268 HZ2 TRP 37 HZ2 TRP 37 72.180 1.021 0.855 269 HZ3 TRP 37 HZ3 TRP 37 76.399 0.723 0.079 270 HH2 TRP 37 HH2 TRP 37 74.499 1.829 1.234 271 H LEU 38 HN LEU 38 75.704 -1.562 -6.071 272 HA LEU 38 HA LEU 38 77.731 -3.743 -6.020 273 HB2 LEU 38 HB2 LEU 38 76.782 -2.214 -8.448 274 HB3 LEU 38 HB1 LEU 38 78.021 -3.466 -8.424 275 HG LEU 38 HG LEU 38 75.126 -3.880 -7.612 276 HD11 LEU 38 HD11 LEU 38 76.570 -4.865 -10.093 277 HD12 LEU 38 HD12 LEU 38 75.576 -3.407 -10.073 278 HD13 LEU 38 HD13 LEU 38 74.844 -4.977 -9.742 279 HD21 LEU 38 HD21 LEU 38 76.366 -5.549 -6.481 280 HD22 LEU 38 HD22 LEU 38 77.562 -5.670 -7.767 281 HD23 LEU 38 HD23 LEU 38 75.951 -6.351 -7.991 282 H LEU 39 HN LEU 39 79.640 -3.107 -5.486 283 HA LEU 39 HA LEU 39 80.488 -0.296 -5.885 284 HB2 LEU 39 HB2 LEU 39 82.453 -1.444 -4.323 285 HB3 LEU 39 HB1 LEU 39 81.057 -0.605 -3.679 286 HG LEU 39 HG LEU 39 79.832 -2.798 -3.606 287 HD11 LEU 39 HD11 LEU 39 82.599 -3.909 -4.174 288 HD12 LEU 39 HD12 LEU 39 81.260 -3.934 -5.324 289 HD13 LEU 39 HD13 LEU 39 81.159 -4.856 -3.831 290 HD21 LEU 39 HD21 LEU 39 82.344 -2.259 -2.032 291 HD22 LEU 39 HD22 LEU 39 81.420 -3.729 -1.729 292 HD23 LEU 39 HD23 LEU 39 80.659 -2.152 -1.522 293 H ASP 40 HN ASP 40 82.951 -2.676 -5.449 294 HA ASP 40 HA ASP 40 84.026 -2.225 -8.038 295 HB2 ASP 40 HB2 ASP 40 85.586 -4.016 -7.524 296 HB3 ASP 40 HB1 ASP 40 85.366 -3.081 -6.047 297 H ASP 41 HN ASP 41 84.120 -4.125 -9.640 298 HA ASP 41 HA ASP 41 81.479 -4.819 -10.315 299 HB2 ASP 41 HB2 ASP 41 84.112 -5.878 -11.353 300 HB3 ASP 41 HB1 ASP 41 82.544 -6.268 -12.057 301 H GLU 42 HN GLU 42 82.158 -5.818 -7.629 302 HA GLU 42 HA GLU 42 81.537 -8.678 -8.099 303 HB2 GLU 42 HB2 GLU 42 83.482 -7.509 -6.102 304 HB3 GLU 42 HB1 GLU 42 82.750 -9.093 -5.855 305 HG2 GLU 42 HG2 GLU 42 83.748 -9.978 -7.816 306 HG3 GLU 42 HG1 GLU 42 84.136 -8.378 -8.447 307 HA PRO 43 HA PRO 43 77.929 -7.525 -5.735 308 HB2 PRO 43 HB2 PRO 43 77.663 -10.142 -4.494 309 HB3 PRO 43 HB1 PRO 43 76.689 -9.444 -5.796 310 HG2 PRO 43 HG2 PRO 43 78.714 -11.481 -5.975 311 HG3 PRO 43 HG1 PRO 43 77.679 -10.843 -7.259 312 HD2 PRO 43 HD2 PRO 43 80.482 -10.409 -6.952 313 HD3 PRO 43 HD1 PRO 43 79.407 -9.625 -8.125 314 H VAL 44 HN VAL 44 77.709 -6.619 -3.693 315 HA VAL 44 HA VAL 44 79.969 -7.028 -1.887 316 HB VAL 44 HB VAL 44 79.340 -4.759 -2.468 317 HG11 VAL 44 HG11 VAL 44 76.784 -5.461 -2.523 318 HG12 VAL 44 HG12 VAL 44 77.265 -3.810 -2.135 319 HG13 VAL 44 HG13 VAL 44 76.830 -4.922 -0.844 320 HG21 VAL 44 HG21 VAL 44 78.617 -5.126 0.429 321 HG22 VAL 44 HG22 VAL 44 79.610 -3.875 -0.314 322 HG23 VAL 44 HG23 VAL 44 80.240 -5.507 -0.142 323 H ARG 45 HN ARG 45 79.542 -9.000 -1.097 324 HA ARG 45 HA ARG 45 77.807 -9.045 1.239 325 HB2 ARG 45 HB2 ARG 45 76.425 -10.119 -0.533 326 HB3 ARG 45 HB1 ARG 45 77.747 -11.220 -0.894 327 HG2 ARG 45 HG2 ARG 45 76.391 -12.503 0.530 328 HG3 ARG 45 HG1 ARG 45 77.594 -11.862 1.643 329 HD2 ARG 45 HD2 ARG 45 76.058 -10.072 2.313 330 HD3 ARG 45 HD1 ARG 45 74.867 -10.631 1.145 331 HE ARG 45 HE ARG 45 75.547 -11.898 3.696 332 HH11 ARG 45 HH21 ARG 45 73.127 -11.324 1.458 333 HH12 ARG 45 HH22 ARG 45 72.375 -12.880 1.582 334 HH21 ARG 45 HH11 ARG 45 74.910 -14.247 3.510 335 HH22 ARG 45 HH12 ARG 45 73.380 -14.531 2.749 336 H THR 46 HN THR 46 79.453 -11.569 -0.518 337 HA THR 46 HA THR 46 81.311 -12.837 -0.074 338 HB THR 46 HB THR 46 83.272 -11.627 0.224 339 HG1 THR 46 HG1 THR 46 83.539 -10.236 1.797 340 HG21 THR 46 HG21 THR 46 81.515 -9.243 -0.276 341 HG22 THR 46 HG22 THR 46 81.588 -10.547 -1.463 342 HG23 THR 46 HG23 THR 46 83.053 -9.669 -1.023 343 H SER 47 HN SER 47 82.832 -11.716 2.609 344 HA SER 47 HA SER 47 81.186 -13.274 4.520 345 HB2 SER 47 HB2 SER 47 84.181 -13.534 4.330 346 HB3 SER 47 HB1 SER 47 83.047 -14.564 5.205 347 HG SER 47 HG SER 47 83.092 -14.206 2.386 348 H GLU 48 HN GLU 48 83.501 -13.116 6.419 349 HA GLU 48 HA GLU 48 82.730 -10.849 7.855 350 HB2 GLU 48 HB2 GLU 48 83.967 -12.788 8.809 351 HB3 GLU 48 HB1 GLU 48 85.420 -12.235 7.979 352 HG2 GLU 48 HG2 GLU 48 85.296 -10.084 9.207 353 HG3 GLU 48 HG1 GLU 48 83.857 -10.657 10.046 354 H ASN 49 HN ASN 49 85.441 -11.285 5.612 355 HA ASN 49 HA ASN 49 86.675 -8.793 6.021 356 HB2 ASN 49 HB2 ASN 49 87.776 -9.180 3.870 357 HB3 ASN 49 HB1 ASN 49 87.751 -10.656 4.835 358 HD21 ASN 49 HD21 ASN 49 87.946 -10.576 1.909 359 HD22 ASN 49 HD22 ASN 49 86.559 -11.344 1.302 360 H ALA 50 HN ALA 50 83.600 -9.224 5.017 361 HA ALA 50 HA ALA 50 83.086 -6.587 4.320 362 HB1 ALA 50 HB1 ALA 50 84.266 -6.674 2.293 363 HB2 ALA 50 HB2 ALA 50 82.613 -7.016 1.793 364 HB3 ALA 50 HB3 ALA 50 83.773 -8.338 1.969 365 H GLU 51 HN GLU 51 80.898 -6.296 4.415 366 HA GLU 51 HA GLU 51 78.935 -8.034 3.403 367 HB2 GLU 51 HB2 GLU 51 79.746 -9.587 5.164 368 HB3 GLU 51 HB1 GLU 51 79.420 -8.358 6.380 369 HG2 GLU 51 HG2 GLU 51 77.033 -8.391 5.789 370 HG3 GLU 51 HG1 GLU 51 77.354 -9.592 4.537 371 H VAL 52 HN VAL 52 76.818 -7.073 3.615 372 HA VAL 52 HA VAL 52 76.835 -4.435 4.897 373 HB VAL 52 HB VAL 52 74.823 -5.576 2.955 374 HG11 VAL 52 HG11 VAL 52 74.010 -3.571 3.901 375 HG12 VAL 52 HG12 VAL 52 74.718 -3.073 2.365 376 HG13 VAL 52 HG13 VAL 52 75.594 -2.803 3.866 377 HG21 VAL 52 HG21 VAL 52 76.741 -5.830 1.656 378 HG22 VAL 52 HG22 VAL 52 77.592 -4.512 2.463 379 HG23 VAL 52 HG23 VAL 52 76.322 -4.153 1.292 380 H VAL 53 HN VAL 53 75.005 -3.721 6.060 381 HA VAL 53 HA VAL 53 72.975 -5.650 6.899 382 HB VAL 53 HB VAL 53 73.397 -4.955 9.335 383 HG11 VAL 53 HG11 VAL 53 75.004 -6.746 9.669 384 HG12 VAL 53 HG12 VAL 53 75.544 -6.627 7.995 385 HG13 VAL 53 HG13 VAL 53 73.920 -7.209 8.359 386 HG21 VAL 53 HG21 VAL 53 75.715 -4.294 9.852 387 HG22 VAL 53 HG22 VAL 53 74.950 -3.098 8.805 388 HG23 VAL 53 HG23 VAL 53 76.096 -4.257 8.131 389 H PHE 54 HN PHE 54 71.085 -4.585 7.781 390 HA PHE 54 HA PHE 54 71.119 -1.656 7.913 391 HB2 PHE 54 HB2 PHE 54 69.390 -1.341 6.271 392 HB3 PHE 54 HB1 PHE 54 70.690 -2.255 5.512 393 HD1 PHE 54 HD1 PHE 54 70.439 -4.674 5.076 394 HD2 PHE 54 HD2 PHE 54 67.234 -2.330 6.720 395 HE1 PHE 54 HE1 PHE 54 68.833 -6.481 4.520 396 HE2 PHE 54 HE2 PHE 54 65.629 -4.140 6.167 397 HZ PHE 54 HZ PHE 54 66.427 -6.212 5.064 398 H PHE 55 HN PHE 55 69.421 -0.774 9.111 399 HA PHE 55 HA PHE 55 67.530 -2.704 10.348 400 HB2 PHE 55 HB2 PHE 55 68.822 -0.424 11.845 401 HB3 PHE 55 HB1 PHE 55 67.946 -1.810 12.496 402 HD1 PHE 55 HD1 PHE 55 68.958 -4.102 12.363 403 HD2 PHE 55 HD2 PHE 55 71.136 -0.562 11.285 404 HE1 PHE 55 HE1 PHE 55 71.088 -5.364 12.517 405 HE2 PHE 55 HE2 PHE 55 73.264 -1.822 11.439 406 HZ PHE 55 HZ PHE 55 73.241 -4.224 12.054 407 H GLU 56 HN GLU 56 66.024 -1.247 11.839 408 HA GLU 56 HA GLU 56 64.240 0.159 11.926 409 HB2 GLU 56 HB2 GLU 56 66.002 1.933 10.222 410 HB3 GLU 56 HB1 GLU 56 64.538 2.446 11.061 411 HG2 GLU 56 HG2 GLU 56 66.978 1.261 12.415 412 HG3 GLU 56 HG1 GLU 56 66.604 2.980 12.347 413 H ASN 57 HN ASN 57 64.620 -1.773 9.645 414 HA ASN 57 HA ASN 57 63.322 -2.526 7.920 415 HB2 ASN 57 HB2 ASN 57 61.481 -1.546 9.366 416 HB3 ASN 57 HB1 ASN 57 61.539 -0.132 8.317 417 HD21 ASN 57 HD21 ASN 57 62.397 -2.658 6.342 418 HD22 ASN 57 HD22 ASN 57 60.866 -3.064 5.731 419 H GLY 58 HN GLY 58 65.567 -0.957 7.192 420 HA2 GLY 58 HA2 GLY 58 66.339 -0.383 5.054 421 HA3 GLY 58 HA1 GLY 58 64.682 -0.135 4.532 422 H LEU 59 HN LEU 59 64.706 1.531 7.289 423 HA LEU 59 HA LEU 59 64.849 4.071 6.016 424 HB2 LEU 59 HB2 LEU 59 64.543 3.107 8.835 425 HB3 LEU 59 HB1 LEU 59 64.912 4.809 8.565 426 HG LEU 59 HG LEU 59 62.943 5.069 7.169 427 HD11 LEU 59 HD11 LEU 59 62.850 2.068 7.383 428 HD12 LEU 59 HD12 LEU 59 62.676 3.091 5.961 429 HD13 LEU 59 HD13 LEU 59 61.355 2.966 7.120 430 HD21 LEU 59 HD21 LEU 59 62.764 5.058 9.730 431 HD22 LEU 59 HD22 LEU 59 62.065 3.447 9.567 432 HD23 LEU 59 HD23 LEU 59 61.259 4.837 8.839 433 H ARG 60 HN ARG 60 67.159 2.070 7.641 434 HA ARG 60 HA ARG 60 69.268 4.093 7.129 435 HB2 ARG 60 HB2 ARG 60 68.902 2.402 9.605 436 HB3 ARG 60 HB1 ARG 60 70.451 3.126 9.172 437 HG2 ARG 60 HG2 ARG 60 69.405 5.362 9.153 438 HG3 ARG 60 HG1 ARG 60 67.853 4.641 9.583 439 HD2 ARG 60 HD2 ARG 60 68.789 3.823 11.694 440 HD3 ARG 60 HD1 ARG 60 70.374 4.458 11.261 441 HE ARG 60 HE ARG 60 68.491 6.561 11.168 442 HH11 ARG 60 HH11 ARG 60 68.362 4.532 13.732 443 HH12 ARG 60 HH12 ARG 60 69.044 5.605 14.909 444 HH21 ARG 60 HH21 ARG 60 70.119 7.925 12.565 445 HH22 ARG 60 HH22 ARG 60 70.038 7.526 14.249 446 H HIS 61 HN HIS 61 71.160 3.308 6.284 447 HA HIS 61 HA HIS 61 71.413 0.382 5.900 448 HB2 HIS 61 HB2 HIS 61 71.406 2.529 3.781 449 HB3 HIS 61 HB1 HIS 61 72.308 1.037 3.534 450 HD1 HIS 61 HD1 HIS 61 68.843 2.408 3.665 451 HD2 HIS 61 HD2 HIS 61 70.670 -1.328 3.357 452 HE1 HIS 61 HE1 HIS 61 67.034 0.781 2.959 453 H LEU 62 HN LEU 62 73.330 -0.265 6.629 454 HA LEU 62 HA LEU 62 75.606 1.637 6.618 455 HB2 LEU 62 HB2 LEU 62 75.010 -0.684 8.476 456 HB3 LEU 62 HB1 LEU 62 76.494 0.263 8.491 457 HG LEU 62 HG LEU 62 74.857 2.324 8.724 458 HD11 LEU 62 HD11 LEU 62 72.865 1.657 10.147 459 HD12 LEU 62 HD12 LEU 62 73.148 -0.008 9.647 460 HD13 LEU 62 HD13 LEU 62 72.736 1.219 8.447 461 HD21 LEU 62 HD21 LEU 62 75.461 0.358 10.953 462 HD22 LEU 62 HD22 LEU 62 74.880 2.002 11.223 463 HD23 LEU 62 HD23 LEU 62 76.444 1.735 10.454 464 H LEU 63 HN LEU 63 77.339 1.092 5.463 465 HA LEU 63 HA LEU 63 77.541 -1.660 4.353 466 HB2 LEU 63 HB2 LEU 63 77.196 0.309 2.762 467 HB3 LEU 63 HB1 LEU 63 78.779 0.876 3.279 468 HG LEU 63 HG LEU 63 79.548 -1.575 2.651 469 HD11 LEU 63 HD11 LEU 63 76.992 -2.064 2.137 470 HD12 LEU 63 HD12 LEU 63 78.253 -2.747 1.125 471 HD13 LEU 63 HD13 LEU 63 77.378 -1.323 0.586 472 HD21 LEU 63 HD21 LEU 63 78.982 0.729 0.776 473 HD22 LEU 63 HD22 LEU 63 79.793 -0.728 0.207 474 HD23 LEU 63 HD23 LEU 63 80.521 0.241 1.486 475 H LEU 64 HN LEU 64 79.028 -2.753 5.782 476 HA LEU 64 HA LEU 64 81.416 -1.220 6.550 477 HB2 LEU 64 HB2 LEU 64 80.169 -2.141 8.395 478 HB3 LEU 64 HB1 LEU 64 80.108 -3.726 7.631 479 HG LEU 64 HG LEU 64 82.536 -3.966 7.858 480 HD11 LEU 64 HD11 LEU 64 83.681 -2.157 9.313 481 HD12 LEU 64 HD12 LEU 64 82.330 -1.122 8.851 482 HD13 LEU 64 HD13 LEU 64 83.403 -1.780 7.615 483 HD21 LEU 64 HD21 LEU 64 81.240 -4.722 9.747 484 HD22 LEU 64 HD22 LEU 64 81.091 -3.078 10.368 485 HD23 LEU 64 HD23 LEU 64 82.658 -3.886 10.380 486 H LEU 65 HN LEU 65 83.145 -1.529 5.371 487 HA LEU 65 HA LEU 65 83.741 -4.232 4.293 488 HB2 LEU 65 HB2 LEU 65 84.466 -1.571 3.028 489 HB3 LEU 65 HB1 LEU 65 84.816 -3.172 2.380 490 HG LEU 65 HG LEU 65 82.032 -2.068 2.862 491 HD11 LEU 65 HD11 LEU 65 83.247 -0.930 1.021 492 HD12 LEU 65 HD12 LEU 65 81.908 -1.904 0.418 493 HD13 LEU 65 HD13 LEU 65 83.562 -2.498 0.278 494 HD21 LEU 65 HD21 LEU 65 81.833 -4.416 2.995 495 HD22 LEU 65 HD22 LEU 65 83.110 -4.688 1.810 496 HD23 LEU 65 HD23 LEU 65 81.530 -4.101 1.288 497 H LYS 66 HN LYS 66 85.543 -5.050 5.286 498 HA LYS 66 HA LYS 66 87.286 -3.194 6.724 499 HB2 LYS 66 HB2 LYS 66 86.865 -6.188 6.827 500 HB3 LYS 66 HB1 LYS 66 88.002 -5.304 7.843 501 HG2 LYS 66 HG2 LYS 66 86.233 -4.030 8.862 502 HG3 LYS 66 HG1 LYS 66 85.055 -4.645 7.708 503 HD2 LYS 66 HD2 LYS 66 84.721 -5.905 9.714 504 HD3 LYS 66 HD1 LYS 66 85.560 -6.976 8.598 505 HE2 LYS 66 HE2 LYS 66 86.469 -6.980 10.959 506 HE3 LYS 66 HE1 LYS 66 87.662 -6.628 9.714 507 HZ1 LYS 66 HZ1 LYS 66 86.345 -4.270 10.639 508 HZ2 LYS 66 HZ2 LYS 66 88.007 -4.616 10.549 509 HZ3 LYS 66 HZ3 LYS 66 87.109 -5.097 11.908 510 H ASN 67 HN ASN 67 89.473 -4.773 7.013 511 HA ASN 67 HA ASN 67 91.608 -4.818 6.045 512 HB2 ASN 67 HB2 ASN 67 90.369 -7.068 5.710 513 HB3 ASN 67 HB1 ASN 67 90.231 -6.580 4.022 514 HD21 ASN 67 HD21 ASN 67 92.854 -6.465 6.508 515 HD22 ASN 67 HD22 ASN 67 94.040 -7.126 5.488 516 H LEU 68 HN LEU 68 90.418 -2.492 5.197 517 HA LEU 68 HA LEU 68 90.328 -2.288 2.345 518 HB2 LEU 68 HB2 LEU 68 90.590 -0.101 4.406 519 HB3 LEU 68 HB1 LEU 68 90.091 0.103 2.726 520 HG LEU 68 HG LEU 68 88.623 -1.585 4.778 521 HD11 LEU 68 HD11 LEU 68 87.676 1.016 3.569 522 HD12 LEU 68 HD12 LEU 68 88.628 0.988 5.055 523 HD13 LEU 68 HD13 LEU 68 87.066 0.178 4.996 524 HD21 LEU 68 HD21 LEU 68 88.049 -2.516 2.701 525 HD22 LEU 68 HD22 LEU 68 88.202 -0.978 1.851 526 HD23 LEU 68 HD23 LEU 68 86.806 -1.283 2.885 527 H ARG 69 HN ARG 69 92.080 -2.558 1.138 528 HA ARG 69 HA ARG 69 94.658 -1.388 1.997 529 HB2 ARG 69 HB2 ARG 69 94.515 -3.071 -0.469 530 HB3 ARG 69 HB1 ARG 69 95.717 -3.063 0.821 531 HG2 ARG 69 HG2 ARG 69 93.866 -4.110 2.292 532 HG3 ARG 69 HG1 ARG 69 93.035 -4.441 0.772 533 HD2 ARG 69 HD2 ARG 69 95.115 -5.596 -0.038 534 HD3 ARG 69 HD1 ARG 69 95.806 -5.383 1.566 535 HE ARG 69 HE ARG 69 93.346 -6.641 1.925 536 HH11 ARG 69 HH11 ARG 69 94.967 -7.643 -0.715 537 HH12 ARG 69 HH12 ARG 69 95.483 -9.181 -0.108 538 HH21 ARG 69 HH21 ARG 69 94.623 -8.468 3.176 539 HH22 ARG 69 HH22 ARG 69 95.291 -9.647 2.096 540 HA PRO 70 HA PRO 70 94.455 1.670 -1.139 541 HB2 PRO 70 HB2 PRO 70 96.671 0.961 -2.877 542 HB3 PRO 70 HB1 PRO 70 96.619 2.211 -1.625 543 HG2 PRO 70 HG2 PRO 70 98.083 -0.172 -1.507 544 HG3 PRO 70 HG1 PRO 70 97.725 0.900 -0.145 545 HD2 PRO 70 HD2 PRO 70 96.503 -1.712 -0.839 546 HD3 PRO 70 HD1 PRO 70 96.591 -0.896 0.740 547 H GLN 71 HN GLN 71 94.956 -1.516 -2.497 548 HA GLN 71 HA GLN 71 94.088 -1.111 -5.114 549 HB2 GLN 71 HB2 GLN 71 94.998 -3.231 -4.669 550 HB3 GLN 71 HB1 GLN 71 93.956 -3.496 -3.276 551 HG2 GLN 71 HG2 GLN 71 92.725 -3.177 -6.014 552 HG3 GLN 71 HG1 GLN 71 93.429 -4.725 -5.556 553 HE21 GLN 71 HE21 GLN 71 90.571 -4.246 -6.016 554 HE22 GLN 71 HE22 GLN 71 89.780 -4.554 -4.546 555 H ASP 72 HN ASP 72 92.073 -2.101 -2.288 556 HA ASP 72 HA ASP 72 89.657 -2.322 -3.456 557 HB2 ASP 72 HB2 ASP 72 90.291 -2.569 -1.000 558 HB3 ASP 72 HB1 ASP 72 89.992 -0.839 -0.858 559 H SER 73 HN SER 73 91.273 0.812 -2.758 560 HA SER 73 HA SER 73 89.215 2.566 -2.927 561 HB2 SER 73 HB2 SER 73 91.798 2.866 -4.470 562 HB3 SER 73 HB1 SER 73 90.737 4.164 -3.930 563 HG SER 73 HG SER 73 92.093 2.294 -2.270 564 H CYS 74 HN CYS 74 87.498 2.461 -4.176 565 HA CYS 74 HA CYS 74 87.789 2.618 -7.061 566 HB2 CYS 74 HB2 CYS 74 86.163 0.362 -5.861 567 HB3 CYS 74 HB1 CYS 74 86.415 0.697 -7.574 568 HG CYS 74 HG CYS 74 88.140 -1.145 -6.829 569 H ARG 75 HN ARG 75 84.960 1.758 -7.358 570 HA ARG 75 HA ARG 75 83.699 4.243 -6.376 571 HB2 ARG 75 HB2 ARG 75 83.755 4.044 -8.778 572 HB3 ARG 75 HB1 ARG 75 83.089 2.416 -8.704 573 HG2 ARG 75 HG2 ARG 75 80.984 3.302 -7.774 574 HG3 ARG 75 HG1 ARG 75 81.655 4.934 -7.805 575 HD2 ARG 75 HD2 ARG 75 81.979 4.690 -10.264 576 HD3 ARG 75 HD1 ARG 75 81.181 3.122 -10.180 577 HE ARG 75 HE ARG 75 79.612 5.273 -9.056 578 HH11 ARG 75 HH21 ARG 75 80.799 4.381 -12.125 579 HH12 ARG 75 HH22 ARG 75 79.261 4.438 -12.916 580 HH21 ARG 75 HH11 ARG 75 77.484 4.991 -9.991 581 HH22 ARG 75 HH12 ARG 75 77.381 4.782 -11.706 582 H VAL 76 HN VAL 76 81.963 4.184 -5.064 583 HA VAL 76 HA VAL 76 80.704 1.554 -4.478 584 HB VAL 76 HB VAL 76 81.183 3.928 -2.655 585 HG11 VAL 76 HG11 VAL 76 79.566 1.398 -2.279 586 HG12 VAL 76 HG12 VAL 76 79.016 3.065 -2.105 587 HG13 VAL 76 HG13 VAL 76 80.134 2.377 -0.927 588 HG21 VAL 76 HG21 VAL 76 82.128 1.052 -2.465 589 HG22 VAL 76 HG22 VAL 76 82.547 2.368 -1.373 590 HG23 VAL 76 HG23 VAL 76 83.119 2.392 -3.040 591 H THR 77 HN THR 77 78.541 1.462 -4.968 592 HA THR 77 HA THR 77 76.967 3.944 -4.889 593 HB THR 77 HB THR 77 77.711 3.935 -7.179 594 HG1 THR 77 HG1 THR 77 75.091 3.164 -6.600 595 HG21 THR 77 HG21 THR 77 77.217 1.968 -8.642 596 HG22 THR 77 HG22 THR 77 76.749 1.065 -7.202 597 HG23 THR 77 HG23 THR 77 78.412 1.625 -7.392 598 H PHE 78 HN PHE 78 74.799 3.685 -4.650 599 HA PHE 78 HA PHE 78 73.701 0.961 -4.388 600 HB2 PHE 78 HB2 PHE 78 74.204 1.452 -2.144 601 HB3 PHE 78 HB1 PHE 78 73.814 3.157 -2.330 602 HD1 PHE 78 HD2 PHE 78 71.737 0.245 -3.456 603 HD2 PHE 78 HD1 PHE 78 72.207 3.457 -0.643 604 HE1 PHE 78 HE2 PHE 78 69.457 -0.176 -2.594 605 HE2 PHE 78 HE1 PHE 78 69.936 3.033 0.225 606 HZ PHE 78 HZ PHE 78 68.550 1.219 -0.750 607 H LEU 79 HN LEU 79 71.870 0.824 -5.570 608 HA LEU 79 HA LEU 79 70.345 3.310 -6.137 609 HB2 LEU 79 HB2 LEU 79 71.506 2.723 -8.118 610 HB3 LEU 79 HB1 LEU 79 71.132 1.015 -7.927 611 HG LEU 79 HG LEU 79 68.806 1.389 -8.460 612 HD11 LEU 79 HD11 LEU 79 69.555 4.289 -8.124 613 HD12 LEU 79 HD12 LEU 79 68.201 3.403 -7.421 614 HD13 LEU 79 HD13 LEU 79 68.175 3.838 -9.126 615 HD21 LEU 79 HD21 LEU 79 69.011 2.343 -10.736 616 HD22 LEU 79 HD22 LEU 79 70.344 1.247 -10.371 617 HD23 LEU 79 HD23 LEU 79 70.595 2.991 -10.312 618 H ALA 80 HN ALA 80 68.634 3.125 -4.789 619 HA ALA 80 HA ALA 80 66.930 0.701 -5.013 620 HB1 ALA 80 HB1 ALA 80 67.368 0.840 -2.730 621 HB2 ALA 80 HB2 ALA 80 65.913 1.827 -2.835 622 HB3 ALA 80 HB3 ALA 80 67.499 2.597 -2.756 623 H GLY 81 HN GLY 81 65.444 1.133 -6.567 624 HA2 GLY 81 HA2 GLY 81 63.667 2.154 -7.633 625 HA3 GLY 81 HA1 GLY 81 63.446 3.104 -6.165 626 H ASP 82 HN ASP 82 62.872 4.800 -7.825 627 HA ASP 82 HA ASP 82 64.686 5.880 -9.642 628 HB2 ASP 82 HB2 ASP 82 62.222 6.357 -9.450 629 HB3 ASP 82 HB1 ASP 82 62.597 7.417 -8.090 630 H MET 83 HN MET 83 65.919 5.447 -6.900 631 HA MET 83 HA MET 83 66.973 8.195 -6.495 632 HB2 MET 83 HB2 MET 83 66.557 5.988 -4.464 633 HB3 MET 83 HB1 MET 83 67.401 7.504 -4.143 634 HG2 MET 83 HG2 MET 83 65.342 8.749 -4.794 635 HG3 MET 83 HG1 MET 83 64.506 7.211 -4.997 636 HE1 MET 83 HE1 MET 83 65.520 5.368 -2.470 637 HE2 MET 83 HE2 MET 83 64.046 5.575 -3.407 638 HE3 MET 83 HE3 MET 83 63.998 5.734 -1.652 639 H VAL 84 HN VAL 84 69.089 8.369 -7.019 640 HA VAL 84 HA VAL 84 70.786 5.934 -6.862 641 HB VAL 84 HB VAL 84 70.392 6.438 -9.192 642 HG11 VAL 84 HG11 VAL 84 70.738 8.615 -10.157 643 HG12 VAL 84 HG12 VAL 84 71.404 9.240 -8.650 644 HG13 VAL 84 HG13 VAL 84 69.692 8.833 -8.754 645 HG21 VAL 84 HG21 VAL 84 72.756 5.916 -8.381 646 HG22 VAL 84 HG22 VAL 84 73.085 7.645 -8.499 647 HG23 VAL 84 HG23 VAL 84 72.652 6.730 -9.943 648 H THR 85 HN THR 85 72.514 6.108 -5.635 649 HA THR 85 HA THR 85 73.617 8.783 -4.982 650 HB THR 85 HB THR 85 73.596 8.354 -2.693 651 HG1 THR 85 HG1 THR 85 73.196 5.881 -2.238 652 HG21 THR 85 HG21 THR 85 71.240 8.285 -3.577 653 HG22 THR 85 HG22 THR 85 71.453 7.393 -2.071 654 HG23 THR 85 HG23 THR 85 71.349 6.526 -3.600 655 H SER 86 HN SER 86 75.843 8.887 -5.082 656 HA SER 86 HA SER 86 77.437 6.438 -5.055 657 HB2 SER 86 HB2 SER 86 77.086 8.143 -7.515 658 HB3 SER 86 HB1 SER 86 78.506 7.128 -7.276 659 HG SER 86 HG SER 86 76.729 5.474 -6.765 660 H ALA 87 HN ALA 87 79.543 6.786 -4.453 661 HA ALA 87 HA ALA 87 80.614 9.517 -4.431 662 HB1 ALA 87 HB1 ALA 87 81.094 9.499 -2.072 663 HB2 ALA 87 HB2 ALA 87 80.447 7.867 -1.904 664 HB3 ALA 87 HB3 ALA 87 79.369 9.209 -2.285 665 H PHE 88 HN PHE 88 82.881 9.605 -3.893 666 HA PHE 88 HA PHE 88 84.326 7.409 -5.064 667 HB2 PHE 88 HB2 PHE 88 85.284 10.013 -3.861 668 HB3 PHE 88 HB1 PHE 88 86.299 8.868 -4.739 669 HD1 PHE 88 HD1 PHE 88 85.512 8.191 -7.128 670 HD2 PHE 88 HD2 PHE 88 84.112 11.677 -5.045 671 HE1 PHE 88 HE1 PHE 88 84.791 9.189 -9.280 672 HE2 PHE 88 HE2 PHE 88 83.392 12.674 -7.197 673 HZ PHE 88 HZ PHE 88 83.731 11.430 -9.314 674 H LEU 89 HN LEU 89 86.259 6.531 -4.128 675 HA LEU 89 HA LEU 89 86.190 6.201 -1.185 676 HB2 LEU 89 HB2 LEU 89 85.281 4.169 -2.254 677 HB3 LEU 89 HB1 LEU 89 86.720 4.051 -3.261 678 HG LEU 89 HG LEU 89 88.120 3.767 -1.251 679 HD11 LEU 89 HD11 LEU 89 86.711 3.225 0.906 680 HD12 LEU 89 HD12 LEU 89 85.488 4.236 0.137 681 HD13 LEU 89 HD13 LEU 89 87.078 4.900 0.510 682 HD21 LEU 89 HD21 LEU 89 87.012 1.816 -2.413 683 HD22 LEU 89 HD22 LEU 89 85.750 1.879 -1.182 684 HD23 LEU 89 HD23 LEU 89 87.415 1.519 -0.721 685 H THR 90 HN THR 90 88.182 6.336 -0.205 686 HA THR 90 HA THR 90 90.584 6.419 -1.934 687 HB THR 90 HB THR 90 89.909 8.458 0.201 688 HG1 THR 90 HG1 THR 90 88.883 8.500 -1.997 689 HG21 THR 90 HG21 THR 90 92.267 8.137 0.198 690 HG22 THR 90 HG22 THR 90 91.989 9.555 -0.811 691 HG23 THR 90 HG23 THR 90 92.320 7.994 -1.560 692 H VAL 91 HN VAL 91 92.062 5.052 -1.194 693 HA VAL 91 HA VAL 91 92.410 4.740 1.717 694 HB VAL 91 HB VAL 91 92.301 2.409 -0.212 695 HG11 VAL 91 HG11 VAL 91 92.606 2.564 2.803 696 HG12 VAL 91 HG12 VAL 91 93.863 2.090 1.659 697 HG13 VAL 91 HG13 VAL 91 92.438 1.075 1.875 698 HG21 VAL 91 HG21 VAL 91 90.345 3.330 1.919 699 HG22 VAL 91 HG22 VAL 91 90.245 1.796 1.057 700 HG23 VAL 91 HG23 VAL 91 90.058 3.314 0.179 701 H ARG 92 HN ARG 92 94.487 5.087 2.225 702 HA ARG 92 HA ARG 92 96.549 4.570 0.159 703 HB2 ARG 92 HB2 ARG 92 96.125 6.978 0.524 704 HB3 ARG 92 HB1 ARG 92 96.461 6.773 2.239 705 HG2 ARG 92 HG2 ARG 92 98.429 7.677 1.098 706 HG3 ARG 92 HG1 ARG 92 98.777 6.055 1.682 707 HD2 ARG 92 HD2 ARG 92 98.623 5.119 -0.492 708 HD3 ARG 92 HD1 ARG 92 97.780 6.530 -1.128 709 HE ARG 92 HE ARG 92 100.126 7.620 -0.457 710 HH11 ARG 92 HH21 ARG 92 100.589 4.403 -0.784 711 HH12 ARG 92 HH22 ARG 92 101.516 4.446 -2.246 712 HH21 ARG 92 HH11 ARG 92 100.811 7.778 -2.905 713 HH22 ARG 92 HH12 ARG 92 101.642 6.359 -3.448 714 H GLY 93 HN GLY 93 98.682 4.055 0.973 715 HA2 GLY 93 HA2 GLY 93 98.567 2.457 3.458 716 HA3 GLY 93 HA1 GLY 93 99.713 2.231 2.145 717 H GLY 94 HN GLY 94 99.533 3.182 5.231 718 HA2 GLY 94 HA2 GLY 94 101.360 5.475 5.082 719 HA3 GLY 94 HA1 GLY 94 100.615 4.822 6.538 720 H LEU 95 HN LEU 95 103.326 5.441 6.460 721 HA LEU 95 HA LEU 95 104.553 2.752 6.700 722 HB2 LEU 95 HB2 LEU 95 105.888 5.232 5.572 723 HB3 LEU 95 HB1 LEU 95 106.672 3.683 5.873 724 HG LEU 95 HG LEU 95 104.636 2.794 4.330 725 HD11 LEU 95 HD11 LEU 95 103.794 5.211 4.129 726 HD12 LEU 95 HD12 LEU 95 104.003 4.330 2.618 727 HD13 LEU 95 HD13 LEU 95 105.211 5.509 3.124 728 HD21 LEU 95 HD21 LEU 95 106.921 2.337 3.760 729 HD22 LEU 95 HD22 LEU 95 107.246 4.037 3.425 730 HD23 LEU 95 HD23 LEU 95 106.205 3.110 2.345 731 H GLU 96 HN GLU 96 105.530 6.128 7.314 732 HA GLU 96 HA GLU 96 105.756 5.527 10.197 733 HB2 GLU 96 HB2 GLU 96 107.936 6.736 8.472 734 HB3 GLU 96 HB1 GLU 96 107.956 6.698 10.235 735 HG2 GLU 96 HG2 GLU 96 107.844 4.234 10.188 736 HG3 GLU 96 HG1 GLU 96 107.818 4.270 8.426 737 H HIS 97 HN HIS 97 107.061 8.310 8.520 738 HA HIS 97 HA HIS 97 104.741 9.975 9.149 739 HB2 HIS 97 HB2 HIS 97 106.218 9.919 11.203 740 HB3 HIS 97 HB1 HIS 97 107.472 10.687 10.231 741 HD1 HIS 97 HD1 HIS 97 107.142 13.156 9.575 742 HD2 HIS 97 HD2 HIS 97 103.954 11.594 11.760 743 HE1 HIS 97 HE1 HIS 97 105.694 15.126 10.235 744 H HIS 98 HN HIS 98 104.526 11.646 7.734 745 HA HIS 98 HA HIS 98 106.824 12.342 6.001 746 HB2 HIS 98 HB2 HIS 98 104.020 11.832 4.982 747 HB3 HIS 98 HB1 HIS 98 105.451 12.213 4.021 748 HD1 HIS 98 HD1 HIS 98 107.473 10.378 4.256 749 HD2 HIS 98 HD2 HIS 98 103.669 9.116 5.406 750 HE1 HIS 98 HE1 HIS 98 107.549 7.847 4.332 751 H HIS 99 HN HIS 99 107.136 14.461 5.983 752 HA HIS 99 HA HIS 99 104.984 16.264 6.877 753 HB2 HIS 99 HB2 HIS 99 106.764 17.915 7.157 754 HB3 HIS 99 HB1 HIS 99 107.181 16.420 7.995 755 HD1 HIS 99 HD1 HIS 99 107.999 18.369 4.858 756 HD2 HIS 99 HD2 HIS 99 109.457 15.107 7.005 757 HE1 HIS 99 HE1 HIS 99 110.240 17.781 3.833 758 H HIS 100 HN HIS 100 104.000 17.656 5.552 759 HA HIS 100 HA HIS 100 104.628 17.566 2.701 760 HB2 HIS 100 HB2 HIS 100 102.547 19.013 2.554 761 HB3 HIS 100 HB1 HIS 100 102.307 17.400 3.224 762 HD1 HIS 100 HD1 HIS 100 102.302 21.023 4.154 763 HD2 HIS 100 HD2 HIS 100 101.780 17.345 6.043 764 HE1 HIS 100 HE1 HIS 100 101.362 21.526 6.451 765 H HIS 101 HN HIS 101 106.260 18.848 2.073 766 HA HIS 101 HA HIS 101 107.584 20.717 1.794 767 HB2 HIS 101 HB2 HIS 101 105.496 21.495 0.713 768 HB3 HIS 101 HB1 HIS 101 104.950 22.136 2.261 769 HD1 HIS 101 HD1 HIS 101 106.206 24.223 3.209 770 HD2 HIS 101 HD2 HIS 101 107.518 23.025 -0.563 771 HE1 HIS 101 HE1 HIS 101 107.634 26.114 2.313 772 H HIS 102 HN HIS 102 108.967 20.744 3.496 773 HA HIS 102 HA HIS 102 108.130 22.194 5.953 774 HB2 HIS 102 HB2 HIS 102 108.722 19.813 6.314 775 HB3 HIS 102 HB1 HIS 102 110.318 20.126 5.631 776 HD1 HIS 102 HD1 HIS 102 108.120 21.531 8.420 777 HD2 HIS 102 HD2 HIS 102 112.148 20.898 7.551 778 HE1 HIS 102 HE1 HIS 102 109.417 22.231 10.481 Start of MODEL 13 1 H1 THR 1 HT1 THR 1 53.261 -0.390 -1.216 2 H2 THR 1 HT2 THR 1 54.850 -0.536 -0.634 3 H3 THR 1 HT3 THR 1 54.450 -1.121 -2.178 4 HA THR 1 HA THR 1 55.670 1.117 -2.000 5 HB THR 1 HB THR 1 54.366 1.958 -3.957 6 HG1 THR 1 HG1 THR 1 52.706 -0.117 -4.181 7 HG21 THR 1 HG21 THR 1 54.600 -1.047 -4.138 8 HG22 THR 1 HG22 THR 1 56.027 -0.014 -4.037 9 HG23 THR 1 HG23 THR 1 54.909 0.155 -5.391 10 H ALA 2 HN ALA 2 55.592 2.844 -0.680 11 HA ALA 2 HA ALA 2 52.989 4.167 -0.212 12 HB1 ALA 2 HB1 ALA 2 53.537 4.528 2.131 13 HB2 ALA 2 HB2 ALA 2 55.067 3.674 1.936 14 HB3 ALA 2 HB3 ALA 2 53.542 2.799 1.788 15 H LYS 3 HN LYS 3 56.538 4.387 -0.163 16 HA LYS 3 HA LYS 3 56.557 6.901 -1.441 17 HB2 LYS 3 HB2 LYS 3 57.346 8.332 0.360 18 HB3 LYS 3 HB1 LYS 3 55.764 7.689 0.791 19 HG2 LYS 3 HG2 LYS 3 56.958 5.886 2.094 20 HG3 LYS 3 HG1 LYS 3 58.465 6.747 1.783 21 HD2 LYS 3 HD2 LYS 3 57.363 8.805 2.796 22 HD3 LYS 3 HD1 LYS 3 56.077 7.728 3.350 23 HE2 LYS 3 HE2 LYS 3 57.741 6.348 4.535 24 HE3 LYS 3 HE1 LYS 3 59.025 7.423 3.978 25 HZ1 LYS 3 HZ1 LYS 3 58.593 8.804 5.634 26 HZ2 LYS 3 HZ2 LYS 3 57.466 7.693 6.251 27 HZ3 LYS 3 HZ3 LYS 3 56.960 8.921 5.193 28 H ASN 4 HN ASN 4 58.570 7.269 -2.290 29 HA ASN 4 HA ASN 4 60.879 5.934 -1.057 30 HB2 ASN 4 HB2 ASN 4 61.672 5.442 -3.421 31 HB3 ASN 4 HB1 ASN 4 60.385 4.412 -2.803 32 HD21 ASN 4 HD21 ASN 4 59.678 3.989 -5.061 33 HD22 ASN 4 HD22 ASN 4 58.811 5.170 -5.916 34 H THR 5 HN THR 5 62.050 7.687 -0.421 35 HA THR 5 HA THR 5 62.748 9.657 -2.465 36 HB THR 5 HB THR 5 61.197 10.286 0.060 37 HG1 THR 5 HG1 THR 5 59.776 10.226 -1.503 38 HG21 THR 5 HG21 THR 5 61.634 12.728 -0.794 39 HG22 THR 5 HG22 THR 5 63.049 12.021 -1.574 40 HG23 THR 5 HG23 THR 5 62.868 11.929 0.178 41 H VAL 6 HN VAL 6 64.879 9.467 -2.348 42 HA VAL 6 HA VAL 6 66.335 8.763 -0.021 43 HB VAL 6 HB VAL 6 67.195 8.453 -2.329 44 HG11 VAL 6 HG11 VAL 6 66.411 10.733 -3.124 45 HG12 VAL 6 HG12 VAL 6 68.063 10.319 -3.580 46 HG13 VAL 6 HG13 VAL 6 67.771 11.425 -2.239 47 HG21 VAL 6 HG21 VAL 6 68.916 10.154 -0.504 48 HG22 VAL 6 HG22 VAL 6 69.518 9.141 -1.815 49 HG23 VAL 6 HG23 VAL 6 68.732 8.403 -0.419 50 H VAL 7 HN VAL 7 67.187 9.907 1.580 51 HA VAL 7 HA VAL 7 66.677 12.815 1.668 52 HB VAL 7 HB VAL 7 67.436 10.878 3.872 53 HG11 VAL 7 HG11 VAL 7 66.620 12.899 5.274 54 HG12 VAL 7 HG12 VAL 7 66.866 13.843 3.803 55 HG13 VAL 7 HG13 VAL 7 68.224 12.999 4.549 56 HG21 VAL 7 HG21 VAL 7 65.106 11.143 4.596 57 HG22 VAL 7 HG22 VAL 7 65.143 10.545 2.938 58 HG23 VAL 7 HG23 VAL 7 64.794 12.245 3.256 59 H ARG 8 HN ARG 8 69.170 10.356 1.933 60 HA ARG 8 HA ARG 8 71.224 12.384 1.389 61 HB2 ARG 8 HB2 ARG 8 71.594 12.343 3.686 62 HB3 ARG 8 HB1 ARG 8 71.065 10.671 3.849 63 HG2 ARG 8 HG2 ARG 8 73.124 9.832 2.915 64 HG3 ARG 8 HG1 ARG 8 73.628 11.443 2.402 65 HD2 ARG 8 HD2 ARG 8 74.817 10.831 4.445 66 HD3 ARG 8 HD1 ARG 8 73.676 12.122 4.814 67 HE ARG 8 HE ARG 8 72.430 9.625 5.262 68 HH11 ARG 8 HH21 ARG 8 75.469 10.507 6.362 69 HH12 ARG 8 HH22 ARG 8 75.081 10.469 8.049 70 HH21 ARG 8 HH11 ARG 8 71.676 10.081 7.525 71 HH22 ARG 8 HH12 ARG 8 72.934 10.230 8.705 72 H GLY 9 HN GLY 9 72.576 11.726 -0.113 73 HA2 GLY 9 HA2 GLY 9 72.536 8.942 -0.983 74 HA3 GLY 9 HA1 GLY 9 73.269 10.309 -1.828 75 H LEU 10 HN LEU 10 74.944 8.346 -1.783 76 HA LEU 10 HA LEU 10 76.470 7.970 0.580 77 HB2 LEU 10 HB2 LEU 10 77.230 7.639 -2.335 78 HB3 LEU 10 HB1 LEU 10 78.139 6.997 -0.967 79 HG LEU 10 HG LEU 10 75.206 6.344 -1.309 80 HD11 LEU 10 HD11 LEU 10 76.027 5.592 -3.391 81 HD12 LEU 10 HD12 LEU 10 76.128 4.157 -2.373 82 HD13 LEU 10 HD13 LEU 10 77.579 5.103 -2.710 83 HD21 LEU 10 HD21 LEU 10 76.026 4.225 -0.139 84 HD22 LEU 10 HD22 LEU 10 76.067 5.697 0.826 85 HD23 LEU 10 HD23 LEU 10 77.554 5.061 0.119 86 H GLU 11 HN GLU 11 78.858 8.685 0.668 87 HA GLU 11 HA GLU 11 79.339 11.281 -0.600 88 HB2 GLU 11 HB2 GLU 11 80.019 12.128 1.779 89 HB3 GLU 11 HB1 GLU 11 78.318 12.146 1.320 90 HG2 GLU 11 HG2 GLU 11 79.537 9.762 2.717 91 HG3 GLU 11 HG1 GLU 11 78.919 11.142 3.624 92 H ASN 12 HN ASN 12 81.578 12.104 0.175 93 HA ASN 12 HA ASN 12 83.486 10.154 -0.544 94 HB2 ASN 12 HB2 ASN 12 83.810 12.843 0.802 95 HB3 ASN 12 HB1 ASN 12 85.157 11.857 0.240 96 HD21 ASN 12 HD21 ASN 12 83.873 14.543 -0.727 97 HD22 ASN 12 HD22 ASN 12 83.723 14.302 -2.399 98 H VAL 13 HN VAL 13 84.847 8.909 0.635 99 HA VAL 13 HA VAL 13 84.646 9.007 3.587 100 HB VAL 13 HB VAL 13 84.312 6.563 1.824 101 HG11 VAL 13 HG11 VAL 13 85.834 5.868 3.537 102 HG12 VAL 13 HG12 VAL 13 84.235 5.356 4.074 103 HG13 VAL 13 HG13 VAL 13 84.978 6.797 4.768 104 HG21 VAL 13 HG21 VAL 13 82.291 6.295 3.354 105 HG22 VAL 13 HG22 VAL 13 82.222 7.684 2.265 106 HG23 VAL 13 HG23 VAL 13 82.637 7.915 3.962 107 H GLU 14 HN GLU 14 86.534 8.839 4.609 108 HA GLU 14 HA GLU 14 88.968 8.331 2.998 109 HB2 GLU 14 HB2 GLU 14 88.529 9.867 5.569 110 HB3 GLU 14 HB1 GLU 14 90.124 9.483 4.927 111 HG2 GLU 14 HG2 GLU 14 89.583 10.671 2.840 112 HG3 GLU 14 HG1 GLU 14 87.977 11.046 3.465 113 H ALA 15 HN ALA 15 90.729 7.144 4.149 114 HA ALA 15 HA ALA 15 89.926 5.525 6.424 115 HB1 ALA 15 HB1 ALA 15 88.896 4.120 4.863 116 HB2 ALA 15 HB2 ALA 15 90.485 3.385 5.071 117 HB3 ALA 15 HB3 ALA 15 90.152 4.381 3.655 118 H LEU 16 HN LEU 16 91.612 3.724 6.698 119 HA LEU 16 HA LEU 16 94.342 4.774 6.219 120 HB2 LEU 16 HB2 LEU 16 93.061 3.908 8.800 121 HB3 LEU 16 HB1 LEU 16 94.804 3.738 8.586 122 HG LEU 16 HG LEU 16 93.554 6.371 7.854 123 HD11 LEU 16 HD11 LEU 16 93.811 7.139 10.220 124 HD12 LEU 16 HD12 LEU 16 94.109 5.469 10.700 125 HD13 LEU 16 HD13 LEU 16 92.540 5.930 10.037 126 HD21 LEU 16 HD21 LEU 16 95.703 7.233 8.606 127 HD22 LEU 16 HD22 LEU 16 95.986 5.868 7.525 128 HD23 LEU 16 HD23 LEU 16 96.140 5.658 9.269 129 H GLU 17 HN GLU 17 95.774 3.361 5.563 130 HA GLU 17 HA GLU 17 95.250 0.978 4.364 131 HB2 GLU 17 HB2 GLU 17 97.439 2.150 4.335 132 HB3 GLU 17 HB1 GLU 17 97.747 1.572 5.969 133 HG2 GLU 17 HG2 GLU 17 98.872 0.081 4.441 134 HG3 GLU 17 HG1 GLU 17 97.491 -0.788 5.102 135 H GLY 18 HN GLY 18 94.401 -0.891 5.019 136 HA2 GLY 18 HA2 GLY 18 94.027 -2.789 6.286 137 HA3 GLY 18 HA1 GLY 18 95.271 -2.235 7.404 138 H GLY 19 HN GLY 19 92.423 -0.385 6.448 139 HA2 GLY 19 HA2 GLY 19 91.424 -0.548 9.247 140 HA3 GLY 19 HA1 GLY 19 91.331 0.898 8.251 141 H GLU 20 HN GLU 20 89.079 1.020 8.511 142 HA GLU 20 HA GLU 20 87.545 -0.876 6.833 143 HB2 GLU 20 HB2 GLU 20 85.667 -0.658 8.471 144 HB3 GLU 20 HB1 GLU 20 87.067 -1.519 9.109 145 HG2 GLU 20 HG2 GLU 20 86.609 1.447 9.539 146 HG3 GLU 20 HG1 GLU 20 86.068 0.209 10.672 147 H ALA 21 HN ALA 21 85.145 0.173 6.752 148 HA ALA 21 HA ALA 21 85.247 3.080 6.408 149 HB1 ALA 21 HB1 ALA 21 84.610 3.054 4.076 150 HB2 ALA 21 HB2 ALA 21 84.540 1.297 4.072 151 HB3 ALA 21 HB3 ALA 21 86.094 2.114 4.248 152 H LEU 22 HN LEU 22 83.180 4.044 6.400 153 HA LEU 22 HA LEU 22 80.868 2.203 6.663 154 HB2 LEU 22 HB2 LEU 22 81.338 4.611 8.433 155 HB3 LEU 22 HB1 LEU 22 80.029 3.440 8.544 156 HG LEU 22 HG LEU 22 82.121 1.733 8.732 157 HD11 LEU 22 HD11 LEU 22 83.855 2.749 10.189 158 HD12 LEU 22 HD12 LEU 22 83.117 4.330 9.935 159 HD13 LEU 22 HD13 LEU 22 83.841 3.467 8.579 160 HD21 LEU 22 HD21 LEU 22 81.897 1.970 11.245 161 HD22 LEU 22 HD22 LEU 22 80.369 1.790 10.383 162 HD23 LEU 22 HD23 LEU 22 80.880 3.381 10.948 163 H PHE 23 HN PHE 23 79.278 2.711 5.313 164 HA PHE 23 HA PHE 23 79.021 5.520 4.379 165 HB2 PHE 23 HB2 PHE 23 78.442 2.879 3.028 166 HB3 PHE 23 HB1 PHE 23 77.744 4.390 2.452 167 HD1 PHE 23 HD2 PHE 23 80.854 2.476 2.910 168 HD2 PHE 23 HD1 PHE 23 79.127 6.133 1.470 169 HE1 PHE 23 HE2 PHE 23 82.965 3.004 1.720 170 HE2 PHE 23 HE1 PHE 23 81.233 6.662 0.277 171 HZ PHE 23 HZ PHE 23 83.152 5.097 0.402 172 H GLU 24 HN GLU 24 77.473 6.452 5.580 173 HA GLU 24 HA GLU 24 75.063 4.900 6.308 174 HB2 GLU 24 HB2 GLU 24 76.259 7.459 7.377 175 HB3 GLU 24 HB1 GLU 24 74.665 6.864 7.853 176 HG2 GLU 24 HG2 GLU 24 75.625 4.788 8.646 177 HG3 GLU 24 HG1 GLU 24 77.222 5.265 8.076 178 H CYS 25 HN CYS 25 73.434 5.064 4.967 179 HA CYS 25 HA CYS 25 72.788 7.705 3.782 180 HB2 CYS 25 HB2 CYS 25 71.630 5.961 2.037 181 HB3 CYS 25 HB1 CYS 25 73.257 6.600 1.824 182 HG CYS 25 HG CYS 25 72.604 3.713 2.360 183 H GLN 26 HN GLN 26 70.659 8.329 3.792 184 HA GLN 26 HA GLN 26 68.801 6.686 5.433 185 HB2 GLN 26 HB2 GLN 26 69.011 9.685 5.056 186 HB3 GLN 26 HB1 GLN 26 67.712 8.885 5.943 187 HG2 GLN 26 HG2 GLN 26 69.357 7.925 7.499 188 HG3 GLN 26 HG1 GLN 26 70.667 8.679 6.590 189 HE21 GLN 26 HE21 GLN 26 68.816 9.122 9.327 190 HE22 GLN 26 HE22 GLN 26 68.913 10.812 9.453 191 H LEU 27 HN LEU 27 67.206 5.783 4.261 192 HA LEU 27 HA LEU 27 66.236 7.185 1.821 193 HB2 LEU 27 HB2 LEU 27 67.506 4.967 1.558 194 HB3 LEU 27 HB1 LEU 27 66.108 4.205 2.306 195 HG LEU 27 HG LEU 27 65.922 5.984 -0.148 196 HD11 LEU 27 HD11 LEU 27 65.843 3.945 -1.481 197 HD12 LEU 27 HD12 LEU 27 66.012 2.954 -0.032 198 HD13 LEU 27 HD13 LEU 27 67.345 3.981 -0.559 199 HD21 LEU 27 HD21 LEU 27 63.727 5.858 0.514 200 HD22 LEU 27 HD22 LEU 27 63.971 4.404 1.477 201 HD23 LEU 27 HD23 LEU 27 63.788 4.287 -0.269 202 H SER 28 HN SER 28 64.128 7.692 1.767 203 HA SER 28 HA SER 28 62.425 6.992 4.031 204 HB2 SER 28 HB2 SER 28 62.661 9.312 2.789 205 HB3 SER 28 HB1 SER 28 61.478 8.617 1.686 206 HG SER 28 HG SER 28 60.751 9.809 3.685 207 H GLN 29 HN GLN 29 61.929 4.847 3.736 208 HA GLN 29 HA GLN 29 59.707 4.145 2.184 209 HB2 GLN 29 HB2 GLN 29 61.531 4.265 0.380 210 HB3 GLN 29 HB1 GLN 29 62.240 2.859 1.154 211 HG2 GLN 29 HG2 GLN 29 60.011 1.708 0.915 212 HG3 GLN 29 HG1 GLN 29 59.474 3.072 -0.048 213 HE21 GLN 29 HE21 GLN 29 62.646 1.373 -0.020 214 HE22 GLN 29 HE22 GLN 29 62.615 0.986 -1.672 215 HA PRO 30 HA PRO 30 60.847 1.220 5.574 216 HB2 PRO 30 HB2 PRO 30 58.059 1.134 6.379 217 HB3 PRO 30 HB1 PRO 30 59.426 1.832 7.259 218 HG2 PRO 30 HG2 PRO 30 57.336 3.266 6.080 219 HG3 PRO 30 HG1 PRO 30 58.878 3.937 6.627 220 HD2 PRO 30 HD2 PRO 30 57.972 3.339 3.854 221 HD3 PRO 30 HD1 PRO 30 59.182 4.512 4.419 222 H GLU 31 HN GLU 31 60.264 0.757 2.784 223 HA GLU 31 HA GLU 31 59.320 -1.978 2.932 224 HB2 GLU 31 HB2 GLU 31 57.250 -0.681 2.492 225 HB3 GLU 31 HB1 GLU 31 58.021 0.048 1.082 226 HG2 GLU 31 HG2 GLU 31 58.231 -2.114 0.008 227 HG3 GLU 31 HG1 GLU 31 57.650 -2.935 1.455 228 H VAL 32 HN VAL 32 59.846 -3.109 0.838 229 HA VAL 32 HA VAL 32 61.873 -1.675 -0.765 230 HB VAL 32 HB VAL 32 63.501 -3.309 -0.483 231 HG11 VAL 32 HG11 VAL 32 63.900 -3.431 1.832 232 HG12 VAL 32 HG12 VAL 32 62.182 -3.537 2.215 233 HG13 VAL 32 HG13 VAL 32 62.870 -2.012 1.658 234 HG21 VAL 32 HG21 VAL 32 62.287 -5.326 -0.965 235 HG22 VAL 32 HG22 VAL 32 61.259 -5.120 0.453 236 HG23 VAL 32 HG23 VAL 32 62.961 -5.542 0.649 237 H ALA 33 HN ALA 33 61.476 -1.868 -2.871 238 HA ALA 33 HA ALA 33 59.735 -4.093 -3.798 239 HB1 ALA 33 HB1 ALA 33 58.913 -1.697 -4.067 240 HB2 ALA 33 HB2 ALA 33 58.961 -2.671 -5.536 241 HB3 ALA 33 HB3 ALA 33 60.225 -1.479 -5.228 242 H ALA 34 HN ALA 34 62.643 -2.210 -4.459 243 HA ALA 34 HA ALA 34 63.940 -4.433 -5.682 244 HB1 ALA 34 HB1 ALA 34 64.141 -3.585 -7.947 245 HB2 ALA 34 HB2 ALA 34 63.198 -2.155 -7.531 246 HB3 ALA 34 HB3 ALA 34 62.430 -3.742 -7.543 247 H HIS 35 HN HIS 35 66.055 -4.184 -5.271 248 HA HIS 35 HA HIS 35 67.299 -1.566 -5.481 249 HB2 HIS 35 HB2 HIS 35 68.285 -1.877 -3.109 250 HB3 HIS 35 HB1 HIS 35 66.647 -1.249 -3.258 251 HD1 HIS 35 HD1 HIS 35 66.484 -2.253 -0.735 252 HD2 HIS 35 HD2 HIS 35 66.662 -5.058 -3.813 253 HE1 HIS 35 HE1 HIS 35 65.679 -4.443 0.245 254 H THR 36 HN THR 36 69.259 -1.760 -6.290 255 HA THR 36 HA THR 36 70.696 -4.347 -5.986 256 HB THR 36 HB THR 36 70.768 -2.459 -8.353 257 HG1 THR 36 HG1 THR 36 69.365 -4.820 -7.781 258 HG21 THR 36 HG21 THR 36 72.009 -4.388 -9.380 259 HG22 THR 36 HG22 THR 36 72.043 -5.147 -7.788 260 HG23 THR 36 HG23 THR 36 72.873 -3.614 -8.053 261 H TRP 37 HN TRP 37 72.659 -4.212 -5.088 262 HA TRP 37 HA TRP 37 73.944 -1.533 -4.861 263 HB2 TRP 37 HB2 TRP 37 73.138 -2.811 -2.727 264 HB3 TRP 37 HB1 TRP 37 74.536 -3.844 -3.009 265 HD1 TRP 37 HD1 TRP 37 76.786 -1.947 -3.763 266 HE1 TRP 37 HE1 TRP 37 77.648 -0.118 -2.182 267 HE3 TRP 37 HE3 TRP 37 72.740 -1.465 -0.678 268 HZ2 TRP 37 HZ2 TRP 37 76.762 1.352 0.088 269 HZ3 TRP 37 HZ3 TRP 37 72.784 0.160 1.194 270 HH2 TRP 37 HH2 TRP 37 74.783 1.576 1.583 271 H LEU 38 HN LEU 38 75.788 -1.311 -5.969 272 HA LEU 38 HA LEU 38 77.605 -3.585 -6.271 273 HB2 LEU 38 HB2 LEU 38 76.360 -2.133 -8.607 274 HB3 LEU 38 HB1 LEU 38 77.856 -3.045 -8.752 275 HG LEU 38 HG LEU 38 75.215 -4.187 -7.777 276 HD11 LEU 38 HD11 LEU 38 75.048 -5.247 -9.943 277 HD12 LEU 38 HD12 LEU 38 76.633 -4.635 -10.418 278 HD13 LEU 38 HD13 LEU 38 75.284 -3.518 -10.207 279 HD21 LEU 38 HD21 LEU 38 76.662 -6.353 -8.466 280 HD22 LEU 38 HD22 LEU 38 76.777 -5.649 -6.860 281 HD23 LEU 38 HD23 LEU 38 78.007 -5.282 -8.067 282 H LEU 39 HN LEU 39 79.478 -2.882 -5.559 283 HA LEU 39 HA LEU 39 80.332 -0.103 -6.108 284 HB2 LEU 39 HB2 LEU 39 82.232 -1.095 -4.399 285 HB3 LEU 39 HB1 LEU 39 80.779 -0.298 -3.844 286 HG LEU 39 HG LEU 39 79.659 -2.551 -3.740 287 HD11 LEU 39 HD11 LEU 39 81.167 -3.749 -5.283 288 HD12 LEU 39 HD12 LEU 39 81.168 -4.526 -3.705 289 HD13 LEU 39 HD13 LEU 39 82.509 -3.495 -4.166 290 HD21 LEU 39 HD21 LEU 39 82.167 -2.352 -2.058 291 HD22 LEU 39 HD22 LEU 39 80.651 -3.153 -1.628 292 HD23 LEU 39 HD23 LEU 39 80.715 -1.395 -1.765 293 H ASP 40 HN ASP 40 82.840 -2.324 -5.423 294 HA ASP 40 HA ASP 40 83.964 -2.137 -7.991 295 HB2 ASP 40 HB2 ASP 40 85.477 -3.936 -7.293 296 HB3 ASP 40 HB1 ASP 40 85.281 -2.804 -5.956 297 H ASP 41 HN ASP 41 84.211 -4.164 -9.360 298 HA ASP 41 HA ASP 41 81.670 -4.941 -10.246 299 HB2 ASP 41 HB2 ASP 41 82.845 -6.339 -11.846 300 HB3 ASP 41 HB1 ASP 41 83.676 -4.793 -11.688 301 H GLU 42 HN GLU 42 81.954 -5.736 -7.430 302 HA GLU 42 HA GLU 42 81.397 -8.622 -7.807 303 HB2 GLU 42 HB2 GLU 42 83.177 -7.375 -5.712 304 HB3 GLU 42 HB1 GLU 42 82.398 -8.932 -5.440 305 HG2 GLU 42 HG2 GLU 42 83.455 -9.853 -7.435 306 HG3 GLU 42 HG1 GLU 42 84.173 -8.289 -7.816 307 HA PRO 43 HA PRO 43 77.622 -7.459 -5.708 308 HB2 PRO 43 HB2 PRO 43 77.284 -10.039 -4.418 309 HB3 PRO 43 HB1 PRO 43 76.415 -9.393 -5.815 310 HG2 PRO 43 HG2 PRO 43 78.428 -11.428 -5.774 311 HG3 PRO 43 HG1 PRO 43 77.545 -10.795 -7.167 312 HD2 PRO 43 HD2 PRO 43 80.314 -10.364 -6.512 313 HD3 PRO 43 HD1 PRO 43 79.399 -9.689 -7.873 314 H VAL 44 HN VAL 44 77.065 -6.686 -3.603 315 HA VAL 44 HA VAL 44 79.265 -6.832 -1.695 316 HB VAL 44 HB VAL 44 76.711 -5.308 -1.223 317 HG11 VAL 44 HG11 VAL 44 79.621 -4.915 -0.446 318 HG12 VAL 44 HG12 VAL 44 78.334 -5.484 0.610 319 HG13 VAL 44 HG13 VAL 44 78.304 -3.837 -0.012 320 HG21 VAL 44 HG21 VAL 44 78.980 -4.671 -3.096 321 HG22 VAL 44 HG22 VAL 44 78.086 -3.380 -2.297 322 HG23 VAL 44 HG23 VAL 44 77.249 -4.502 -3.369 323 H ARG 45 HN ARG 45 79.157 -8.862 -0.943 324 HA ARG 45 HA ARG 45 77.315 -9.280 1.259 325 HB2 ARG 45 HB2 ARG 45 76.179 -10.418 -0.625 326 HB3 ARG 45 HB1 ARG 45 77.642 -11.315 -0.984 327 HG2 ARG 45 HG2 ARG 45 76.401 -12.850 0.290 328 HG3 ARG 45 HG1 ARG 45 77.467 -12.139 1.493 329 HD2 ARG 45 HD2 ARG 45 75.104 -12.284 2.265 330 HD3 ARG 45 HD1 ARG 45 75.704 -10.630 2.237 331 HE ARG 45 HE ARG 45 74.298 -11.480 -0.171 332 HH11 ARG 45 HH21 ARG 45 74.446 -8.627 0.738 333 HH12 ARG 45 HH22 ARG 45 72.862 -8.351 1.382 334 HH21 ARG 45 HH11 ARG 45 72.094 -11.731 1.632 335 HH22 ARG 45 HH12 ARG 45 71.531 -10.112 1.888 336 H THR 46 HN THR 46 79.187 -11.712 -0.279 337 HA THR 46 HA THR 46 81.122 -12.816 0.254 338 HB THR 46 HB THR 46 83.032 -11.484 0.471 339 HG1 THR 46 HG1 THR 46 83.136 -9.973 1.912 340 HG21 THR 46 HG21 THR 46 81.086 -9.407 -0.519 341 HG22 THR 46 HG22 THR 46 81.411 -10.869 -1.453 342 HG23 THR 46 HG23 THR 46 82.720 -9.746 -1.086 343 H SER 47 HN SER 47 82.612 -11.287 2.752 344 HA SER 47 HA SER 47 81.192 -12.886 4.813 345 HB2 SER 47 HB2 SER 47 83.132 -13.984 5.339 346 HB3 SER 47 HB1 SER 47 83.601 -13.531 3.704 347 HG SER 47 HG SER 47 84.442 -12.553 6.148 348 H GLU 48 HN GLU 48 83.130 -12.136 6.854 349 HA GLU 48 HA GLU 48 81.894 -9.781 7.797 350 HB2 GLU 48 HB2 GLU 48 84.503 -11.047 8.686 351 HB3 GLU 48 HB1 GLU 48 83.625 -9.797 9.565 352 HG2 GLU 48 HG2 GLU 48 82.836 -11.724 10.621 353 HG3 GLU 48 HG1 GLU 48 81.598 -11.478 9.393 354 H ASN 49 HN ASN 49 84.926 -10.305 6.061 355 HA ASN 49 HA ASN 49 85.989 -7.689 6.410 356 HB2 ASN 49 HB2 ASN 49 86.488 -9.640 4.150 357 HB3 ASN 49 HB1 ASN 49 87.501 -8.265 4.580 358 HD21 ASN 49 HD21 ASN 49 87.498 -11.521 4.852 359 HD22 ASN 49 HD22 ASN 49 88.294 -11.705 6.341 360 H ALA 50 HN ALA 50 83.147 -8.286 5.156 361 HA ALA 50 HA ALA 50 82.694 -5.893 3.862 362 HB1 ALA 50 HB1 ALA 50 82.543 -7.089 1.429 363 HB2 ALA 50 HB2 ALA 50 83.916 -7.968 2.103 364 HB3 ALA 50 HB3 ALA 50 83.976 -6.211 1.966 365 H GLU 51 HN GLU 51 80.501 -5.725 3.925 366 HA GLU 51 HA GLU 51 78.658 -7.542 2.927 367 HB2 GLU 51 HB2 GLU 51 79.371 -9.105 4.701 368 HB3 GLU 51 HB1 GLU 51 79.052 -7.880 5.921 369 HG2 GLU 51 HG2 GLU 51 76.674 -7.884 5.339 370 HG3 GLU 51 HG1 GLU 51 76.974 -9.029 4.031 371 H VAL 52 HN VAL 52 76.507 -6.692 3.098 372 HA VAL 52 HA VAL 52 76.381 -4.007 4.237 373 HB VAL 52 HB VAL 52 74.163 -5.376 2.717 374 HG11 VAL 52 HG11 VAL 52 73.763 -3.081 1.927 375 HG12 VAL 52 HG12 VAL 52 75.202 -2.524 2.782 376 HG13 VAL 52 HG13 VAL 52 73.811 -3.117 3.691 377 HG21 VAL 52 HG21 VAL 52 76.695 -4.180 1.569 378 HG22 VAL 52 HG22 VAL 52 75.259 -4.544 0.616 379 HG23 VAL 52 HG23 VAL 52 76.157 -5.852 1.394 380 H VAL 53 HN VAL 53 74.698 -3.423 5.695 381 HA VAL 53 HA VAL 53 73.190 -5.596 6.980 382 HB VAL 53 HB VAL 53 75.129 -5.535 8.348 383 HG11 VAL 53 HG11 VAL 53 76.135 -3.503 7.491 384 HG12 VAL 53 HG12 VAL 53 76.008 -3.370 9.247 385 HG13 VAL 53 HG13 VAL 53 74.859 -2.523 8.215 386 HG21 VAL 53 HG21 VAL 53 73.200 -3.623 9.699 387 HG22 VAL 53 HG22 VAL 53 74.276 -4.784 10.473 388 HG23 VAL 53 HG23 VAL 53 72.893 -5.353 9.541 389 H PHE 54 HN PHE 54 71.305 -4.943 7.977 390 HA PHE 54 HA PHE 54 70.375 -2.236 7.256 391 HB2 PHE 54 HB2 PHE 54 69.011 -4.872 7.732 392 HB3 PHE 54 HB1 PHE 54 68.093 -3.381 7.926 393 HD1 PHE 54 HD2 PHE 54 70.684 -4.648 5.513 394 HD2 PHE 54 HD1 PHE 54 66.832 -2.826 6.058 395 HE1 PHE 54 HE2 PHE 54 70.418 -4.479 3.056 396 HE2 PHE 54 HE1 PHE 54 66.570 -2.646 3.598 397 HZ PHE 54 HZ PHE 54 68.361 -3.473 2.096 398 H PHE 55 HN PHE 55 69.416 -0.879 8.646 399 HA PHE 55 HA PHE 55 69.252 -1.572 11.506 400 HB2 PHE 55 HB2 PHE 55 70.699 0.796 10.307 401 HB3 PHE 55 HB1 PHE 55 70.096 0.809 11.963 402 HD1 PHE 55 HD1 PHE 55 70.953 -0.808 13.626 403 HD2 PHE 55 HD2 PHE 55 72.621 -0.524 9.681 404 HE1 PHE 55 HE1 PHE 55 72.953 -2.061 14.385 405 HE2 PHE 55 HE2 PHE 55 74.620 -1.784 10.434 406 HZ PHE 55 HZ PHE 55 74.787 -2.546 12.791 407 H GLU 56 HN GLU 56 67.553 -0.603 12.549 408 HA GLU 56 HA GLU 56 65.450 0.276 12.727 409 HB2 GLU 56 HB2 GLU 56 66.930 2.311 12.630 410 HB3 GLU 56 HB1 GLU 56 66.543 2.437 10.923 411 HG2 GLU 56 HG2 GLU 56 64.208 2.797 11.396 412 HG3 GLU 56 HG1 GLU 56 64.424 2.352 13.085 413 H ASN 57 HN ASN 57 65.843 -1.666 10.704 414 HA ASN 57 HA ASN 57 64.590 -2.718 9.092 415 HB2 ASN 57 HB2 ASN 57 62.696 -1.598 10.384 416 HB3 ASN 57 HB1 ASN 57 62.701 -0.370 9.120 417 HD21 ASN 57 HD21 ASN 57 60.430 -1.250 8.707 418 HD22 ASN 57 HD22 ASN 57 60.281 -2.612 7.702 419 H GLY 58 HN GLY 58 66.777 -0.986 8.286 420 HA2 GLY 58 HA2 GLY 58 67.656 -0.642 6.138 421 HA3 GLY 58 HA1 GLY 58 66.034 -0.715 5.474 422 H LEU 59 HN LEU 59 65.610 1.336 7.895 423 HA LEU 59 HA LEU 59 65.440 3.617 6.260 424 HB2 LEU 59 HB2 LEU 59 64.329 3.041 8.545 425 HB3 LEU 59 HB1 LEU 59 65.780 3.751 9.236 426 HG LEU 59 HG LEU 59 65.282 5.771 7.655 427 HD11 LEU 59 HD11 LEU 59 62.588 4.373 7.763 428 HD12 LEU 59 HD12 LEU 59 63.505 4.781 6.315 429 HD13 LEU 59 HD13 LEU 59 62.804 6.059 7.301 430 HD21 LEU 59 HD21 LEU 59 63.742 5.041 10.154 431 HD22 LEU 59 HD22 LEU 59 63.556 6.620 9.391 432 HD23 LEU 59 HD23 LEU 59 65.131 6.115 10.002 433 H ARG 60 HN ARG 60 68.055 2.140 7.868 434 HA ARG 60 HA ARG 60 69.870 4.304 7.018 435 HB2 ARG 60 HB2 ARG 60 69.948 3.015 9.756 436 HB3 ARG 60 HB1 ARG 60 71.136 4.147 9.114 437 HG2 ARG 60 HG2 ARG 60 69.391 5.877 8.915 438 HG3 ARG 60 HG1 ARG 60 68.198 4.742 9.551 439 HD2 ARG 60 HD2 ARG 60 68.970 6.150 11.374 440 HD3 ARG 60 HD1 ARG 60 69.584 4.518 11.618 441 HE ARG 60 HE ARG 60 71.754 5.291 11.163 442 HH11 ARG 60 HH11 ARG 60 71.097 7.076 8.807 443 HH12 ARG 60 HH12 ARG 60 71.471 8.647 9.433 444 HH21 ARG 60 HH21 ARG 60 71.504 7.617 12.740 445 HH22 ARG 60 HH22 ARG 60 71.701 8.954 11.657 446 H HIS 61 HN HIS 61 70.485 2.911 5.330 447 HA HIS 61 HA HIS 61 71.439 0.249 5.863 448 HB2 HIS 61 HB2 HIS 61 71.633 2.009 3.408 449 HB3 HIS 61 HB1 HIS 61 72.125 0.317 3.465 450 HD1 HIS 61 HD1 HIS 61 69.270 2.373 2.689 451 HD2 HIS 61 HD2 HIS 61 69.788 -1.396 4.402 452 HE1 HIS 61 HE1 HIS 61 67.033 1.197 2.525 453 H LEU 62 HN LEU 62 73.397 -0.265 6.655 454 HA LEU 62 HA LEU 62 75.643 1.658 6.317 455 HB2 LEU 62 HB2 LEU 62 74.819 -0.137 8.580 456 HB3 LEU 62 HB1 LEU 62 76.537 0.174 8.351 457 HG LEU 62 HG LEU 62 76.204 2.553 8.571 458 HD11 LEU 62 HD11 LEU 62 73.825 3.341 9.205 459 HD12 LEU 62 HD12 LEU 62 73.280 1.813 8.516 460 HD13 LEU 62 HD13 LEU 62 74.130 2.983 7.507 461 HD21 LEU 62 HD21 LEU 62 76.338 1.147 10.642 462 HD22 LEU 62 HD22 LEU 62 74.575 1.132 10.700 463 HD23 LEU 62 HD23 LEU 62 75.451 2.651 10.885 464 H LEU 63 HN LEU 63 77.253 1.001 5.065 465 HA LEU 63 HA LEU 63 77.577 -1.901 4.494 466 HB2 LEU 63 HB2 LEU 63 77.023 -0.326 2.578 467 HB3 LEU 63 HB1 LEU 63 78.582 0.441 2.858 468 HG LEU 63 HG LEU 63 78.263 -2.530 2.352 469 HD11 LEU 63 HD11 LEU 63 79.264 -1.738 0.032 470 HD12 LEU 63 HD12 LEU 63 78.486 -0.213 0.449 471 HD13 LEU 63 HD13 LEU 63 77.526 -1.686 0.320 472 HD21 LEU 63 HD21 LEU 63 80.403 -2.340 3.213 473 HD22 LEU 63 HD22 LEU 63 80.586 -0.658 2.722 474 HD23 LEU 63 HD23 LEU 63 80.769 -1.949 1.537 475 H LEU 64 HN LEU 64 79.225 -2.696 5.817 476 HA LEU 64 HA LEU 64 81.403 -0.876 6.510 477 HB2 LEU 64 HB2 LEU 64 80.176 -1.886 8.327 478 HB3 LEU 64 HB1 LEU 64 80.411 -3.490 7.648 479 HG LEU 64 HG LEU 64 82.825 -3.338 8.035 480 HD11 LEU 64 HD11 LEU 64 82.117 -0.533 8.887 481 HD12 LEU 64 HD12 LEU 64 83.337 -1.037 7.717 482 HD13 LEU 64 HD13 LEU 64 83.597 -1.309 9.437 483 HD21 LEU 64 HD21 LEU 64 81.477 -2.370 10.564 484 HD22 LEU 64 HD22 LEU 64 82.772 -3.556 10.399 485 HD23 LEU 64 HD23 LEU 64 81.132 -3.966 9.895 486 H LEU 65 HN LEU 65 83.416 -1.148 5.843 487 HA LEU 65 HA LEU 65 84.147 -3.597 4.348 488 HB2 LEU 65 HB2 LEU 65 85.425 -0.849 4.227 489 HB3 LEU 65 HB1 LEU 65 85.880 -2.252 3.265 490 HG LEU 65 HG LEU 65 83.167 -0.894 3.204 491 HD11 LEU 65 HD11 LEU 65 85.137 -1.007 0.920 492 HD12 LEU 65 HD12 LEU 65 85.261 0.262 2.135 493 HD13 LEU 65 HD13 LEU 65 83.794 0.108 1.172 494 HD21 LEU 65 HD21 LEU 65 82.709 -3.117 2.616 495 HD22 LEU 65 HD22 LEU 65 84.298 -3.364 1.893 496 HD23 LEU 65 HD23 LEU 65 83.077 -2.414 1.043 497 H LYS 66 HN LYS 66 86.642 -3.932 4.511 498 HA LYS 66 HA LYS 66 87.880 -3.197 6.971 499 HB2 LYS 66 HB2 LYS 66 86.132 -5.412 7.118 500 HB3 LYS 66 HB1 LYS 66 87.737 -6.126 7.054 501 HG2 LYS 66 HG2 LYS 66 88.459 -4.754 8.954 502 HG3 LYS 66 HG1 LYS 66 86.903 -3.931 8.984 503 HD2 LYS 66 HD2 LYS 66 87.141 -6.930 9.312 504 HD3 LYS 66 HD1 LYS 66 87.237 -5.833 10.684 505 HE2 LYS 66 HE2 LYS 66 84.985 -4.887 9.888 506 HE3 LYS 66 HE1 LYS 66 84.890 -6.295 8.832 507 HZ1 LYS 66 HZ1 LYS 66 83.841 -7.010 10.739 508 HZ2 LYS 66 HZ2 LYS 66 84.910 -6.193 11.777 509 HZ3 LYS 66 HZ3 LYS 66 85.416 -7.596 10.963 510 H ASN 67 HN ASN 67 89.931 -4.810 7.205 511 HA ASN 67 HA ASN 67 92.023 -5.110 6.182 512 HB2 ASN 67 HB2 ASN 67 90.088 -6.869 4.672 513 HB3 ASN 67 HB1 ASN 67 91.836 -6.974 4.468 514 HD21 ASN 67 HD21 ASN 67 92.337 -6.350 7.383 515 HD22 ASN 67 HD22 ASN 67 91.913 -7.764 8.216 516 H LEU 68 HN LEU 68 90.828 -2.755 5.215 517 HA LEU 68 HA LEU 68 90.650 -2.604 2.417 518 HB2 LEU 68 HB2 LEU 68 91.344 -0.523 4.493 519 HB3 LEU 68 HB1 LEU 68 91.031 -0.149 2.796 520 HG LEU 68 HG LEU 68 89.094 -1.652 4.578 521 HD11 LEU 68 HD11 LEU 68 89.340 0.576 5.475 522 HD12 LEU 68 HD12 LEU 68 87.815 0.510 4.589 523 HD13 LEU 68 HD13 LEU 68 89.221 1.288 3.866 524 HD21 LEU 68 HD21 LEU 68 87.561 -0.615 2.618 525 HD22 LEU 68 HD22 LEU 68 88.369 -2.167 2.441 526 HD23 LEU 68 HD23 LEU 68 89.075 -0.722 1.721 527 H ARG 69 HN ARG 69 92.067 -1.818 0.865 528 HA ARG 69 HA ARG 69 94.916 -1.648 1.557 529 HB2 ARG 69 HB2 ARG 69 94.482 -3.030 -1.014 530 HB3 ARG 69 HB1 ARG 69 95.552 -3.469 0.315 531 HG2 ARG 69 HG2 ARG 69 93.549 -4.382 1.533 532 HG3 ARG 69 HG1 ARG 69 92.592 -4.068 0.083 533 HD2 ARG 69 HD2 ARG 69 94.236 -5.479 -1.208 534 HD3 ARG 69 HD1 ARG 69 94.976 -5.920 0.328 535 HE ARG 69 HE ARG 69 92.185 -6.421 0.434 536 HH11 ARG 69 HH21 ARG 69 94.122 -8.431 1.394 537 HH12 ARG 69 HH22 ARG 69 94.031 -9.682 0.198 538 HH21 ARG 69 HH11 ARG 69 92.496 -7.669 -2.172 539 HH22 ARG 69 HH12 ARG 69 93.111 -9.249 -1.820 540 HA PRO 70 HA PRO 70 94.810 1.621 -1.377 541 HB2 PRO 70 HB2 PRO 70 96.894 0.793 -3.218 542 HB3 PRO 70 HB1 PRO 70 97.002 1.975 -1.907 543 HG2 PRO 70 HG2 PRO 70 98.235 -0.534 -1.952 544 HG3 PRO 70 HG1 PRO 70 98.020 0.495 -0.529 545 HD2 PRO 70 HD2 PRO 70 96.531 -1.956 -1.303 546 HD3 PRO 70 HD1 PRO 70 96.757 -1.232 0.298 547 H GLN 71 HN GLN 71 95.363 -1.386 -3.166 548 HA GLN 71 HA GLN 71 94.228 -0.720 -5.605 549 HB2 GLN 71 HB2 GLN 71 95.407 -2.847 -5.174 550 HB3 GLN 71 HB1 GLN 71 94.046 -3.391 -4.190 551 HG2 GLN 71 HG2 GLN 71 92.549 -3.299 -6.115 552 HG3 GLN 71 HG1 GLN 71 93.825 -2.594 -7.110 553 HE21 GLN 71 HE21 GLN 71 92.504 -5.104 -7.740 554 HE22 GLN 71 HE22 GLN 71 93.676 -6.330 -7.647 555 H ASP 72 HN ASP 72 92.579 -2.170 -2.762 556 HA ASP 72 HA ASP 72 90.078 -2.495 -3.785 557 HB2 ASP 72 HB2 ASP 72 91.121 -1.832 -1.056 558 HB3 ASP 72 HB1 ASP 72 89.380 -1.842 -1.303 559 H SER 73 HN SER 73 91.457 0.668 -2.670 560 HA SER 73 HA SER 73 89.152 2.124 -2.504 561 HB2 SER 73 HB2 SER 73 91.898 2.797 -3.539 562 HB3 SER 73 HB1 SER 73 90.623 4.010 -3.523 563 HG SER 73 HG SER 73 92.151 3.455 -1.557 564 H CYS 74 HN CYS 74 87.591 2.784 -3.876 565 HA CYS 74 HA CYS 74 88.021 3.223 -6.659 566 HB2 CYS 74 HB2 CYS 74 86.914 1.361 -7.631 567 HB3 CYS 74 HB1 CYS 74 88.080 0.693 -6.494 568 HG CYS 74 HG CYS 74 86.139 0.253 -4.812 569 H ARG 75 HN ARG 75 85.325 2.269 -7.393 570 HA ARG 75 HA ARG 75 83.814 4.587 -6.401 571 HB2 ARG 75 HB2 ARG 75 83.964 4.353 -8.807 572 HB3 ARG 75 HB1 ARG 75 83.363 2.700 -8.725 573 HG2 ARG 75 HG2 ARG 75 81.192 3.522 -7.856 574 HG3 ARG 75 HG1 ARG 75 81.802 5.176 -7.905 575 HD2 ARG 75 HD2 ARG 75 82.094 4.975 -10.342 576 HD3 ARG 75 HD1 ARG 75 81.486 3.323 -10.274 577 HE ARG 75 HE ARG 75 79.555 4.946 -9.081 578 HH11 ARG 75 HH11 ARG 75 79.843 3.281 -11.861 579 HH12 ARG 75 HH12 ARG 75 79.014 4.396 -12.894 580 HH21 ARG 75 HH21 ARG 75 78.991 6.958 -10.559 581 HH22 ARG 75 HH22 ARG 75 78.532 6.476 -12.158 582 H VAL 76 HN VAL 76 81.888 4.492 -5.369 583 HA VAL 76 HA VAL 76 80.758 1.823 -4.728 584 HB VAL 76 HB VAL 76 80.649 4.302 -2.990 585 HG11 VAL 76 HG11 VAL 76 79.896 2.530 -1.299 586 HG12 VAL 76 HG12 VAL 76 79.691 1.448 -2.676 587 HG13 VAL 76 HG13 VAL 76 78.740 2.929 -2.569 588 HG21 VAL 76 HG21 VAL 76 82.400 1.836 -2.874 589 HG22 VAL 76 HG22 VAL 76 82.154 2.903 -1.492 590 HG23 VAL 76 HG23 VAL 76 82.916 3.521 -2.958 591 H THR 77 HN THR 77 78.748 1.551 -5.506 592 HA THR 77 HA THR 77 77.050 3.943 -5.922 593 HB THR 77 HB THR 77 77.450 1.700 -7.913 594 HG1 THR 77 HG1 THR 77 78.880 3.797 -7.506 595 HG21 THR 77 HG21 THR 77 75.151 2.423 -7.959 596 HG22 THR 77 HG22 THR 77 75.966 3.188 -9.321 597 HG23 THR 77 HG23 THR 77 75.626 4.119 -7.862 598 H PHE 78 HN PHE 78 75.029 3.740 -5.343 599 HA PHE 78 HA PHE 78 73.878 1.083 -4.776 600 HB2 PHE 78 HB2 PHE 78 74.541 2.118 -2.641 601 HB3 PHE 78 HB1 PHE 78 73.671 3.586 -3.071 602 HD1 PHE 78 HD2 PHE 78 72.921 -0.118 -3.075 603 HD2 PHE 78 HD1 PHE 78 71.633 3.836 -1.964 604 HE1 PHE 78 HE2 PHE 78 70.850 -1.062 -2.102 605 HE2 PHE 78 HE1 PHE 78 69.571 2.881 -0.983 606 HZ PHE 78 HZ PHE 78 69.176 0.434 -1.050 607 H LEU 79 HN LEU 79 72.195 0.840 -6.117 608 HA LEU 79 HA LEU 79 70.728 3.259 -7.023 609 HB2 LEU 79 HB2 LEU 79 71.999 1.756 -8.666 610 HB3 LEU 79 HB1 LEU 79 70.750 0.557 -8.362 611 HG LEU 79 HG LEU 79 70.129 3.392 -9.249 612 HD11 LEU 79 HD11 LEU 79 69.751 2.242 -11.510 613 HD12 LEU 79 HD12 LEU 79 70.695 0.902 -10.861 614 HD13 LEU 79 HD13 LEU 79 71.428 2.497 -11.025 615 HD21 LEU 79 HD21 LEU 79 68.542 0.858 -8.867 616 HD22 LEU 79 HD22 LEU 79 68.048 1.994 -10.121 617 HD23 LEU 79 HD23 LEU 79 68.122 2.516 -8.443 618 H ALA 80 HN ALA 80 69.132 3.432 -5.496 619 HA ALA 80 HA ALA 80 67.336 1.108 -5.097 620 HB1 ALA 80 HB1 ALA 80 68.298 2.150 -3.056 621 HB2 ALA 80 HB2 ALA 80 66.540 2.244 -3.113 622 HB3 ALA 80 HB3 ALA 80 67.510 3.667 -3.489 623 H GLY 81 HN GLY 81 66.153 1.301 -6.992 624 HA2 GLY 81 HA2 GLY 81 64.533 2.109 -8.420 625 HA3 GLY 81 HA1 GLY 81 63.818 2.761 -6.950 626 H ASP 82 HN ASP 82 63.059 4.585 -8.063 627 HA ASP 82 HA ASP 82 64.182 6.312 -9.770 628 HB2 ASP 82 HB2 ASP 82 62.489 6.937 -7.346 629 HB3 ASP 82 HB1 ASP 82 62.812 8.089 -8.642 630 H MET 83 HN MET 83 65.833 5.633 -6.965 631 HA MET 83 HA MET 83 67.109 8.317 -6.914 632 HB2 MET 83 HB2 MET 83 66.861 6.379 -4.606 633 HB3 MET 83 HB1 MET 83 67.592 7.982 -4.568 634 HG2 MET 83 HG2 MET 83 65.504 8.668 -3.888 635 HG3 MET 83 HG1 MET 83 65.105 8.578 -5.600 636 HE1 MET 83 HE1 MET 83 64.041 7.418 -2.109 637 HE2 MET 83 HE2 MET 83 65.589 6.638 -2.407 638 HE3 MET 83 HE3 MET 83 64.135 5.658 -2.228 639 H VAL 84 HN VAL 84 69.212 8.412 -7.318 640 HA VAL 84 HA VAL 84 70.824 5.930 -7.142 641 HB VAL 84 HB VAL 84 70.438 6.340 -9.476 642 HG11 VAL 84 HG11 VAL 84 70.816 8.498 -10.534 643 HG12 VAL 84 HG12 VAL 84 71.362 9.191 -9.011 644 HG13 VAL 84 HG13 VAL 84 69.678 8.708 -9.204 645 HG21 VAL 84 HG21 VAL 84 72.668 6.534 -10.253 646 HG22 VAL 84 HG22 VAL 84 72.834 5.928 -8.604 647 HG23 VAL 84 HG23 VAL 84 73.115 7.634 -8.949 648 H THR 85 HN THR 85 72.473 6.124 -5.792 649 HA THR 85 HA THR 85 73.620 8.808 -5.239 650 HB THR 85 HB THR 85 73.632 8.347 -2.949 651 HG1 THR 85 HG1 THR 85 73.433 6.104 -2.247 652 HG21 THR 85 HG21 THR 85 71.266 8.370 -3.773 653 HG22 THR 85 HG22 THR 85 71.476 7.399 -2.318 654 HG23 THR 85 HG23 THR 85 71.324 6.610 -3.882 655 H SER 86 HN SER 86 75.892 8.876 -5.100 656 HA SER 86 HA SER 86 77.455 6.443 -5.087 657 HB2 SER 86 HB2 SER 86 78.551 6.989 -7.312 658 HB3 SER 86 HB1 SER 86 76.916 6.343 -7.402 659 HG SER 86 HG SER 86 76.283 8.167 -8.230 660 H ALA 87 HN ALA 87 79.546 6.809 -4.398 661 HA ALA 87 HA ALA 87 80.651 9.524 -4.527 662 HB1 ALA 87 HB1 ALA 87 80.579 8.147 -1.852 663 HB2 ALA 87 HB2 ALA 87 79.254 9.190 -2.372 664 HB3 ALA 87 HB3 ALA 87 80.883 9.845 -2.226 665 H PHE 88 HN PHE 88 82.903 9.630 -3.888 666 HA PHE 88 HA PHE 88 84.389 7.386 -4.887 667 HB2 PHE 88 HB2 PHE 88 85.459 9.880 -3.566 668 HB3 PHE 88 HB1 PHE 88 86.327 8.787 -4.639 669 HD1 PHE 88 HD2 PHE 88 85.094 8.369 -6.993 670 HD2 PHE 88 HD1 PHE 88 84.586 11.828 -4.501 671 HE1 PHE 88 HE2 PHE 88 84.318 9.675 -8.953 672 HE2 PHE 88 HE1 PHE 88 83.810 13.131 -6.443 673 HZ PHE 88 HZ PHE 88 83.675 12.056 -8.684 674 H LEU 89 HN LEU 89 86.201 6.432 -3.830 675 HA LEU 89 HA LEU 89 86.124 6.309 -0.875 676 HB2 LEU 89 HB2 LEU 89 84.948 4.319 -1.644 677 HB3 LEU 89 HB1 LEU 89 86.230 3.961 -2.794 678 HG LEU 89 HG LEU 89 87.818 3.631 -0.909 679 HD11 LEU 89 HD11 LEU 89 85.395 4.464 0.673 680 HD12 LEU 89 HD12 LEU 89 87.085 4.916 0.898 681 HD13 LEU 89 HD13 LEU 89 86.532 3.317 1.385 682 HD21 LEU 89 HD21 LEU 89 86.776 1.525 -0.064 683 HD22 LEU 89 HD22 LEU 89 86.625 1.703 -1.811 684 HD23 LEU 89 HD23 LEU 89 85.241 2.034 -0.769 685 H THR 90 HN THR 90 88.190 6.079 0.069 686 HA THR 90 HA THR 90 90.507 5.645 -1.650 687 HB THR 90 HB THR 90 90.140 8.272 -0.184 688 HG1 THR 90 HG1 THR 90 90.035 9.123 -2.253 689 HG21 THR 90 HG21 THR 90 92.417 7.052 -1.751 690 HG22 THR 90 HG22 THR 90 92.453 7.735 -0.125 691 HG23 THR 90 HG23 THR 90 92.272 8.795 -1.522 692 H VAL 91 HN VAL 91 92.225 4.814 -0.558 693 HA VAL 91 HA VAL 91 92.127 4.802 2.419 694 HB VAL 91 HB VAL 91 93.076 2.492 0.700 695 HG11 VAL 91 HG11 VAL 91 92.338 2.616 3.639 696 HG12 VAL 91 HG12 VAL 91 93.987 2.750 3.031 697 HG13 VAL 91 HG13 VAL 91 93.074 1.260 2.786 698 HG21 VAL 91 HG21 VAL 91 91.002 1.394 1.015 699 HG22 VAL 91 HG22 VAL 91 90.543 3.031 0.566 700 HG23 VAL 91 HG23 VAL 91 90.482 2.534 2.255 701 H ARG 92 HN ARG 92 93.860 5.839 3.154 702 HA ARG 92 HA ARG 92 96.152 6.319 1.461 703 HB2 ARG 92 HB2 ARG 92 95.552 7.125 4.307 704 HB3 ARG 92 HB1 ARG 92 96.947 7.674 3.382 705 HG2 ARG 92 HG2 ARG 92 95.471 8.693 1.710 706 HG3 ARG 92 HG1 ARG 92 94.054 8.090 2.572 707 HD2 ARG 92 HD2 ARG 92 94.410 10.411 3.196 708 HD3 ARG 92 HD1 ARG 92 94.780 9.387 4.579 709 HE ARG 92 HE ARG 92 97.127 9.891 3.032 710 HH11 ARG 92 HH21 ARG 92 96.907 9.975 6.062 711 HH12 ARG 92 HH22 ARG 92 97.184 11.653 6.392 712 HH21 ARG 92 HH11 ARG 92 96.629 12.661 3.119 713 HH22 ARG 92 HH12 ARG 92 97.029 13.171 4.726 714 H GLY 93 HN GLY 93 97.887 5.108 1.322 715 HA2 GLY 93 HA2 GLY 93 98.980 3.779 3.700 716 HA3 GLY 93 HA1 GLY 93 98.571 2.760 2.322 717 H GLY 94 HN GLY 94 101.103 4.077 3.776 718 HA2 GLY 94 HA2 GLY 94 102.770 3.989 1.409 719 HA3 GLY 94 HA1 GLY 94 102.666 5.582 2.153 720 H LEU 95 HN LEU 95 103.729 5.983 4.083 721 HA LEU 95 HA LEU 95 105.788 4.068 4.825 722 HB2 LEU 95 HB2 LEU 95 105.124 6.904 5.613 723 HB3 LEU 95 HB1 LEU 95 106.260 5.963 6.580 724 HG LEU 95 HG LEU 95 107.585 5.520 4.495 725 HD11 LEU 95 HD11 LEU 95 105.883 5.823 2.800 726 HD12 LEU 95 HD12 LEU 95 107.114 7.059 2.557 727 HD13 LEU 95 HD13 LEU 95 105.585 7.479 3.331 728 HD21 LEU 95 HD21 LEU 95 108.428 7.899 4.291 729 HD22 LEU 95 HD22 LEU 95 108.327 7.298 5.947 730 HD23 LEU 95 HD23 LEU 95 107.089 8.389 5.327 731 H GLU 96 HN GLU 96 105.778 2.756 6.577 732 HA GLU 96 HA GLU 96 103.317 2.393 8.026 733 HB2 GLU 96 HB2 GLU 96 106.036 1.097 8.350 734 HB3 GLU 96 HB1 GLU 96 104.573 0.589 9.190 735 HG2 GLU 96 HG2 GLU 96 104.845 0.709 6.173 736 HG3 GLU 96 HG1 GLU 96 105.060 -0.757 7.126 737 H HIS 97 HN HIS 97 106.493 3.758 8.708 738 HA HIS 97 HA HIS 97 105.502 4.666 11.359 739 HB2 HIS 97 HB2 HIS 97 108.329 3.949 10.543 740 HB3 HIS 97 HB1 HIS 97 107.850 4.601 12.109 741 HD1 HIS 97 HD1 HIS 97 106.204 3.075 13.562 742 HD2 HIS 97 HD2 HIS 97 107.920 1.196 10.262 743 HE1 HIS 97 HE1 HIS 97 105.851 0.589 13.890 744 H HIS 98 HN HIS 98 104.790 6.672 10.773 745 HA HIS 98 HA HIS 98 106.688 8.480 9.394 746 HB2 HIS 98 HB2 HIS 98 104.785 9.837 8.835 747 HB3 HIS 98 HB1 HIS 98 104.384 8.166 8.440 748 HD1 HIS 98 HD1 HIS 98 102.702 6.927 10.039 749 HD2 HIS 98 HD2 HIS 98 103.242 10.967 10.913 750 HE1 HIS 98 HE1 HIS 98 100.838 7.572 11.629 751 H HIS 99 HN HIS 99 105.098 7.868 12.415 752 HA HIS 99 HA HIS 99 106.467 10.197 13.601 753 HB2 HIS 99 HB2 HIS 99 104.123 10.879 13.167 754 HB3 HIS 99 HB1 HIS 99 103.561 9.507 14.122 755 HD1 HIS 99 HD1 HIS 99 103.628 9.723 16.655 756 HD2 HIS 99 HD2 HIS 99 105.534 12.892 14.727 757 HE1 HIS 99 HE1 HIS 99 104.177 11.427 18.448 758 H HIS 100 HN HIS 100 107.343 9.782 15.586 759 HA HIS 100 HA HIS 100 106.483 7.423 17.104 760 HB2 HIS 100 HB2 HIS 100 108.949 6.745 17.286 761 HB3 HIS 100 HB1 HIS 100 108.143 6.395 15.756 762 HD1 HIS 100 HD1 HIS 100 111.173 7.808 16.971 763 HD2 HIS 100 HD2 HIS 100 108.565 8.811 13.880 764 HE1 HIS 100 HE1 HIS 100 112.478 9.288 15.387 765 H HIS 101 HN HIS 101 109.644 8.613 17.659 766 HA HIS 101 HA HIS 101 110.521 9.486 19.632 767 HB2 HIS 101 HB2 HIS 101 110.031 11.398 18.004 768 HB3 HIS 101 HB1 HIS 101 108.622 11.747 19.004 769 HD1 HIS 101 HD1 HIS 101 109.091 12.452 21.521 770 HD2 HIS 101 HD2 HIS 101 112.489 12.198 19.118 771 HE1 HIS 101 HE1 HIS 101 110.952 13.625 22.781 772 H HIS 102 HN HIS 102 109.129 7.763 20.851 773 HA HIS 102 HA HIS 102 108.064 9.011 23.165 774 HB2 HIS 102 HB2 HIS 102 106.116 9.424 21.735 775 HB3 HIS 102 HB1 HIS 102 106.030 7.710 21.337 776 HD1 HIS 102 HD1 HIS 102 105.019 6.129 23.087 777 HD2 HIS 102 HD2 HIS 102 105.376 10.049 24.458 778 HE1 HIS 102 HE1 HIS 102 103.733 6.245 25.264 Start of MODEL 14 1 H1 THR 1 HT1 THR 1 54.791 -0.573 -2.561 2 H2 THR 1 HT2 THR 1 55.119 -0.459 -4.222 3 H3 THR 1 HT3 THR 1 53.689 0.202 -3.591 4 HA THR 1 HA THR 1 56.218 1.167 -2.494 5 HB THR 1 HB THR 1 55.114 2.009 -5.191 6 HG1 THR 1 HG1 THR 1 57.683 1.003 -4.628 7 HG21 THR 1 HG21 THR 1 57.314 3.079 -3.420 8 HG22 THR 1 HG22 THR 1 55.946 3.955 -4.104 9 HG23 THR 1 HG23 THR 1 57.257 3.411 -5.150 10 H ALA 2 HN ALA 2 55.936 3.432 -1.885 11 HA ALA 2 HA ALA 2 53.219 4.502 -1.877 12 HB1 ALA 2 HB1 ALA 2 53.162 3.077 0.086 13 HB2 ALA 2 HB2 ALA 2 53.237 4.760 0.606 14 HB3 ALA 2 HB3 ALA 2 54.683 3.752 0.663 15 H LYS 3 HN LYS 3 56.599 4.788 -0.896 16 HA LYS 3 HA LYS 3 56.751 7.486 -1.844 17 HB2 LYS 3 HB2 LYS 3 55.629 7.784 0.390 18 HB3 LYS 3 HB1 LYS 3 57.075 7.091 1.135 19 HG2 LYS 3 HG2 LYS 3 58.463 8.853 0.176 20 HG3 LYS 3 HG1 LYS 3 57.070 9.518 -0.680 21 HD2 LYS 3 HD2 LYS 3 55.957 9.956 1.481 22 HD3 LYS 3 HD1 LYS 3 57.367 9.318 2.326 23 HE2 LYS 3 HE2 LYS 3 57.491 11.636 0.379 24 HE3 LYS 3 HE1 LYS 3 57.347 11.839 2.125 25 HZ1 LYS 3 HZ1 LYS 3 59.584 11.835 1.989 26 HZ2 LYS 3 HZ2 LYS 3 59.618 10.966 0.531 27 HZ3 LYS 3 HZ3 LYS 3 59.388 10.150 2.002 28 H ASN 4 HN ASN 4 58.821 7.900 -2.444 29 HA ASN 4 HA ASN 4 61.031 6.526 -1.086 30 HB2 ASN 4 HB2 ASN 4 62.019 5.909 -3.240 31 HB3 ASN 4 HB1 ASN 4 60.450 5.137 -3.043 32 HD21 ASN 4 HD21 ASN 4 61.538 5.534 -5.645 33 HD22 ASN 4 HD22 ASN 4 60.601 6.696 -6.453 34 H THR 5 HN THR 5 62.218 8.262 -0.345 35 HA THR 5 HA THR 5 62.939 10.320 -2.318 36 HB THR 5 HB THR 5 61.713 10.978 0.367 37 HG1 THR 5 HG1 THR 5 60.758 10.769 -2.214 38 HG21 THR 5 HG21 THR 5 63.422 12.579 -0.172 39 HG22 THR 5 HG22 THR 5 61.872 13.322 -0.565 40 HG23 THR 5 HG23 THR 5 62.886 12.666 -1.850 41 H VAL 6 HN VAL 6 65.053 10.248 -2.306 42 HA VAL 6 HA VAL 6 66.644 9.305 -0.174 43 HB VAL 6 HB VAL 6 67.227 9.574 -2.698 44 HG11 VAL 6 HG11 VAL 6 66.869 12.115 -2.559 45 HG12 VAL 6 HG12 VAL 6 68.315 11.549 -3.394 46 HG13 VAL 6 HG13 VAL 6 68.436 12.164 -1.746 47 HG21 VAL 6 HG21 VAL 6 69.698 9.853 -2.061 48 HG22 VAL 6 HG22 VAL 6 68.818 8.557 -1.255 49 HG23 VAL 6 HG23 VAL 6 69.126 10.070 -0.407 50 H VAL 7 HN VAL 7 67.156 10.209 1.681 51 HA VAL 7 HA VAL 7 66.700 13.074 2.109 52 HB VAL 7 HB VAL 7 67.574 10.938 4.072 53 HG11 VAL 7 HG11 VAL 7 66.412 13.719 4.414 54 HG12 VAL 7 HG12 VAL 7 68.057 13.220 4.809 55 HG13 VAL 7 HG13 VAL 7 66.697 12.577 5.729 56 HG21 VAL 7 HG21 VAL 7 65.203 10.839 4.713 57 HG22 VAL 7 HG22 VAL 7 65.386 10.426 3.006 58 HG23 VAL 7 HG23 VAL 7 64.805 12.025 3.470 59 H ARG 8 HN ARG 8 69.268 10.652 2.405 60 HA ARG 8 HA ARG 8 71.286 12.673 1.793 61 HB2 ARG 8 HB2 ARG 8 71.883 12.813 3.995 62 HB3 ARG 8 HB1 ARG 8 70.920 11.415 4.429 63 HG2 ARG 8 HG2 ARG 8 72.692 9.902 3.670 64 HG3 ARG 8 HG1 ARG 8 73.660 11.276 3.121 65 HD2 ARG 8 HD2 ARG 8 72.798 10.708 5.977 66 HD3 ARG 8 HD1 ARG 8 74.420 10.488 5.330 67 HE ARG 8 HE ARG 8 73.164 13.010 6.053 68 HH11 ARG 8 HH21 ARG 8 74.303 13.529 3.363 69 HH12 ARG 8 HH22 ARG 8 75.939 13.978 3.714 70 HH21 ARG 8 HH11 ARG 8 75.889 12.672 6.925 71 HH22 ARG 8 HH12 ARG 8 76.839 13.489 5.730 72 H GLY 9 HN GLY 9 72.828 11.868 0.487 73 HA2 GLY 9 HA2 GLY 9 72.629 9.032 -0.256 74 HA3 GLY 9 HA1 GLY 9 73.353 10.318 -1.222 75 H LEU 10 HN LEU 10 75.032 8.466 -1.260 76 HA LEU 10 HA LEU 10 76.670 8.122 1.074 77 HB2 LEU 10 HB2 LEU 10 77.278 7.565 -1.844 78 HB3 LEU 10 HB1 LEU 10 78.213 6.972 -0.470 79 HG LEU 10 HG LEU 10 75.251 6.396 -0.577 80 HD11 LEU 10 HD11 LEU 10 75.762 4.289 -1.809 81 HD12 LEU 10 HD12 LEU 10 77.411 4.860 -2.055 82 HD13 LEU 10 HD13 LEU 10 76.065 5.723 -2.789 83 HD21 LEU 10 HD21 LEU 10 75.832 4.535 0.791 84 HD22 LEU 10 HD22 LEU 10 76.833 5.855 1.391 85 HD23 LEU 10 HD23 LEU 10 77.534 4.629 0.342 86 H GLU 11 HN GLU 11 78.979 8.824 1.174 87 HA GLU 11 HA GLU 11 79.523 11.302 -0.337 88 HB2 GLU 11 HB2 GLU 11 79.878 10.973 2.653 89 HB3 GLU 11 HB1 GLU 11 80.300 12.395 1.699 90 HG2 GLU 11 HG2 GLU 11 77.909 12.615 1.031 91 HG3 GLU 11 HG1 GLU 11 77.522 11.253 2.085 92 H ASN 12 HN ASN 12 81.879 11.985 0.222 93 HA ASN 12 HA ASN 12 83.589 9.922 -0.645 94 HB2 ASN 12 HB2 ASN 12 85.403 11.493 -0.223 95 HB3 ASN 12 HB1 ASN 12 84.046 12.336 -0.965 96 HD21 ASN 12 HD21 ASN 12 85.786 13.949 0.426 97 HD22 ASN 12 HD22 ASN 12 85.117 14.420 1.911 98 H VAL 13 HN VAL 13 85.048 8.641 0.421 99 HA VAL 13 HA VAL 13 84.974 8.628 3.392 100 HB VAL 13 HB VAL 13 84.671 6.285 1.507 101 HG11 VAL 13 HG11 VAL 13 84.722 4.914 3.644 102 HG12 VAL 13 HG12 VAL 13 85.399 6.330 4.444 103 HG13 VAL 13 HG13 VAL 13 86.284 5.550 3.132 104 HG21 VAL 13 HG21 VAL 13 83.037 7.380 3.810 105 HG22 VAL 13 HG22 VAL 13 82.708 5.837 3.023 106 HG23 VAL 13 HG23 VAL 13 82.577 7.341 2.106 107 H GLU 14 HN GLU 14 86.936 8.637 4.299 108 HA GLU 14 HA GLU 14 89.293 7.894 2.642 109 HB2 GLU 14 HB2 GLU 14 88.964 10.202 4.572 110 HB3 GLU 14 HB1 GLU 14 90.508 9.700 3.882 111 HG2 GLU 14 HG2 GLU 14 89.655 10.103 1.623 112 HG3 GLU 14 HG1 GLU 14 88.079 10.539 2.278 113 H ALA 15 HN ALA 15 90.721 6.513 3.567 114 HA ALA 15 HA ALA 15 90.997 6.331 6.445 115 HB1 ALA 15 HB1 ALA 15 89.896 3.961 4.918 116 HB2 ALA 15 HB2 ALA 15 89.007 4.930 6.093 117 HB3 ALA 15 HB3 ALA 15 90.386 3.961 6.611 118 H LEU 16 HN LEU 16 92.931 5.421 7.059 119 HA LEU 16 HA LEU 16 94.914 5.072 5.004 120 HB2 LEU 16 HB2 LEU 16 95.220 6.097 7.360 121 HB3 LEU 16 HB1 LEU 16 95.276 4.433 7.929 122 HG LEU 16 HG LEU 16 97.147 3.999 6.302 123 HD11 LEU 16 HD11 LEU 16 96.664 6.910 5.727 124 HD12 LEU 16 HD12 LEU 16 97.114 5.611 4.622 125 HD13 LEU 16 HD13 LEU 16 98.325 6.319 5.685 126 HD21 LEU 16 HD21 LEU 16 97.660 4.426 8.629 127 HD22 LEU 16 HD22 LEU 16 97.493 6.167 8.391 128 HD23 LEU 16 HD23 LEU 16 98.835 5.298 7.644 129 H GLU 17 HN GLU 17 96.324 3.123 4.899 130 HA GLU 17 HA GLU 17 94.955 0.815 4.281 131 HB2 GLU 17 HB2 GLU 17 97.274 1.156 3.621 132 HB3 GLU 17 HB1 GLU 17 97.799 1.038 5.301 133 HG2 GLU 17 HG2 GLU 17 96.231 -1.207 4.036 134 HG3 GLU 17 HG1 GLU 17 97.965 -1.081 3.766 135 H GLY 18 HN GLY 18 94.271 -0.966 5.307 136 HA2 GLY 18 HA2 GLY 18 93.677 -2.404 6.982 137 HA3 GLY 18 HA1 GLY 18 95.027 -1.766 7.921 138 H GLY 19 HN GLY 19 92.762 0.509 6.705 139 HA2 GLY 19 HA2 GLY 19 91.935 1.190 9.415 140 HA3 GLY 19 HA1 GLY 19 91.599 2.106 7.949 141 H GLU 20 HN GLU 20 89.476 2.186 9.160 142 HA GLU 20 HA GLU 20 87.759 -0.089 8.324 143 HB2 GLU 20 HB2 GLU 20 88.059 0.128 10.818 144 HB3 GLU 20 HB1 GLU 20 87.304 1.719 10.707 145 HG2 GLU 20 HG2 GLU 20 85.291 0.707 9.717 146 HG3 GLU 20 HG1 GLU 20 86.047 -0.884 9.804 147 H ALA 21 HN ALA 21 85.847 0.461 7.287 148 HA ALA 21 HA ALA 21 85.253 3.344 6.958 149 HB1 ALA 21 HB1 ALA 21 86.509 2.940 5.006 150 HB2 ALA 21 HB2 ALA 21 84.836 2.759 4.480 151 HB3 ALA 21 HB3 ALA 21 85.820 1.334 4.791 152 H LEU 22 HN LEU 22 83.151 3.851 6.819 153 HA LEU 22 HA LEU 22 81.180 1.734 6.353 154 HB2 LEU 22 HB2 LEU 22 80.012 3.265 8.425 155 HB3 LEU 22 HB1 LEU 22 80.594 1.609 8.546 156 HG LEU 22 HG LEU 22 82.886 2.539 9.082 157 HD11 LEU 22 HD11 LEU 22 83.151 4.845 9.600 158 HD12 LEU 22 HD12 LEU 22 81.412 5.133 9.601 159 HD13 LEU 22 HD13 LEU 22 82.256 4.843 8.084 160 HD21 LEU 22 HD21 LEU 22 81.282 1.737 10.812 161 HD22 LEU 22 HD22 LEU 22 80.641 3.375 10.941 162 HD23 LEU 22 HD23 LEU 22 82.311 3.044 11.401 163 H PHE 23 HN PHE 23 79.369 2.371 5.352 164 HA PHE 23 HA PHE 23 79.232 5.208 4.491 165 HB2 PHE 23 HB2 PHE 23 78.553 2.606 3.136 166 HB3 PHE 23 HB1 PHE 23 77.787 4.102 2.611 167 HD1 PHE 23 HD2 PHE 23 79.159 5.971 1.723 168 HD2 PHE 23 HD1 PHE 23 80.881 2.151 2.668 169 HE1 PHE 23 HE2 PHE 23 81.159 6.542 0.377 170 HE2 PHE 23 HE1 PHE 23 82.883 2.722 1.318 171 HZ PHE 23 HZ PHE 23 83.025 4.921 0.174 172 H GLU 24 HN GLU 24 77.790 6.214 5.778 173 HA GLU 24 HA GLU 24 75.300 4.837 6.560 174 HB2 GLU 24 HB2 GLU 24 76.688 7.342 7.522 175 HB3 GLU 24 HB1 GLU 24 75.028 6.959 7.983 176 HG2 GLU 24 HG2 GLU 24 75.715 4.877 8.985 177 HG3 GLU 24 HG1 GLU 24 77.366 5.078 8.395 178 H CYS 25 HN CYS 25 73.753 4.993 5.077 179 HA CYS 25 HA CYS 25 73.200 7.648 3.847 180 HB2 CYS 25 HB2 CYS 25 72.042 6.131 2.065 181 HB3 CYS 25 HB1 CYS 25 73.797 6.297 2.028 182 HG CYS 25 HG CYS 25 73.065 3.719 1.955 183 H GLN 26 HN GLN 26 71.210 8.451 4.084 184 HA GLN 26 HA GLN 26 69.253 6.868 5.645 185 HB2 GLN 26 HB2 GLN 26 69.998 9.006 6.650 186 HB3 GLN 26 HB1 GLN 26 69.447 9.856 5.207 187 HG2 GLN 26 HG2 GLN 26 67.173 9.197 5.591 188 HG3 GLN 26 HG1 GLN 26 67.653 8.133 6.910 189 HE21 GLN 26 HE21 GLN 26 65.772 10.313 7.263 190 HE22 GLN 26 HE22 GLN 26 66.488 11.446 8.301 191 H LEU 27 HN LEU 27 67.798 5.931 4.416 192 HA LEU 27 HA LEU 27 66.816 7.301 1.966 193 HB2 LEU 27 HB2 LEU 27 67.961 5.414 1.245 194 HB3 LEU 27 HB1 LEU 27 67.500 4.456 2.640 195 HG LEU 27 HG LEU 27 65.383 5.389 0.702 196 HD11 LEU 27 HD11 LEU 27 67.034 4.388 -0.754 197 HD12 LEU 27 HD12 LEU 27 65.736 3.214 -0.536 198 HD13 LEU 27 HD13 LEU 27 67.253 3.027 0.345 199 HD21 LEU 27 HD21 LEU 27 65.595 3.402 2.915 200 HD22 LEU 27 HD22 LEU 27 64.792 2.791 1.480 201 HD23 LEU 27 HD23 LEU 27 64.189 4.238 2.273 202 H SER 28 HN SER 28 64.704 7.752 1.826 203 HA SER 28 HA SER 28 62.943 6.951 4.039 204 HB2 SER 28 HB2 SER 28 61.542 8.760 3.401 205 HB3 SER 28 HB1 SER 28 63.193 9.363 3.286 206 HG SER 28 HG SER 28 61.312 8.933 1.333 207 H GLN 29 HN GLN 29 62.469 4.854 3.458 208 HA GLN 29 HA GLN 29 60.203 4.369 1.883 209 HB2 GLN 29 HB2 GLN 29 61.942 4.728 0.053 210 HB3 GLN 29 HB1 GLN 29 62.722 3.271 0.637 211 HG2 GLN 29 HG2 GLN 29 60.565 2.062 0.336 212 HG3 GLN 29 HG1 GLN 29 59.904 3.515 -0.411 213 HE21 GLN 29 HE21 GLN 29 63.142 3.484 -1.206 214 HE22 GLN 29 HE22 GLN 29 63.047 2.692 -2.705 215 HA PRO 30 HA PRO 30 61.286 1.251 5.060 216 HB2 PRO 30 HB2 PRO 30 58.537 0.343 5.127 217 HB3 PRO 30 HB1 PRO 30 59.427 1.252 6.359 218 HG2 PRO 30 HG2 PRO 30 57.361 2.217 4.673 219 HG3 PRO 30 HG1 PRO 30 58.353 3.150 5.801 220 HD2 PRO 30 HD2 PRO 30 58.481 3.100 2.877 221 HD3 PRO 30 HD1 PRO 30 59.303 4.194 4.011 222 H GLU 31 HN GLU 31 59.738 0.795 1.971 223 HA GLU 31 HA GLU 31 60.979 -1.855 1.784 224 HB2 GLU 31 HB2 GLU 31 58.687 -2.300 2.615 225 HB3 GLU 31 HB1 GLU 31 58.033 -1.448 1.218 226 HG2 GLU 31 HG2 GLU 31 59.120 -3.065 -0.293 227 HG3 GLU 31 HG1 GLU 31 59.807 -3.906 1.097 228 H VAL 32 HN VAL 32 61.786 -2.236 -0.202 229 HA VAL 32 HA VAL 32 60.911 -0.487 -2.437 230 HB VAL 32 HB VAL 32 63.025 0.353 -1.733 231 HG11 VAL 32 HG11 VAL 32 64.995 -1.072 -1.407 232 HG12 VAL 32 HG12 VAL 32 64.044 -2.503 -1.792 233 HG13 VAL 32 HG13 VAL 32 63.689 -1.576 -0.336 234 HG21 VAL 32 HG21 VAL 32 62.650 -0.207 -4.222 235 HG22 VAL 32 HG22 VAL 32 63.759 -1.550 -3.953 236 HG23 VAL 32 HG23 VAL 32 64.307 0.108 -3.707 237 H ALA 33 HN ALA 33 60.092 -1.617 -4.066 238 HA ALA 33 HA ALA 33 60.306 -4.469 -4.197 239 HB1 ALA 33 HB1 ALA 33 59.147 -2.577 -6.251 240 HB2 ALA 33 HB2 ALA 33 58.266 -3.185 -4.848 241 HB3 ALA 33 HB3 ALA 33 58.822 -4.303 -6.093 242 H ALA 34 HN ALA 34 62.518 -2.185 -5.104 243 HA ALA 34 HA ALA 34 63.885 -4.057 -6.821 244 HB1 ALA 34 HB1 ALA 34 64.017 -2.640 -8.783 245 HB2 ALA 34 HB2 ALA 34 63.059 -1.390 -7.991 246 HB3 ALA 34 HB3 ALA 34 62.321 -2.937 -8.407 247 H HIS 35 HN HIS 35 65.804 -3.997 -5.866 248 HA HIS 35 HA HIS 35 67.257 -1.462 -5.735 249 HB2 HIS 35 HB2 HIS 35 67.960 -1.991 -3.362 250 HB3 HIS 35 HB1 HIS 35 66.284 -1.466 -3.549 251 HD1 HIS 35 HD1 HIS 35 64.518 -3.561 -3.849 252 HD2 HIS 35 HD2 HIS 35 68.176 -4.414 -2.044 253 HE1 HIS 35 HE1 HIS 35 64.215 -5.756 -2.627 254 H THR 36 HN THR 36 69.268 -1.749 -6.364 255 HA THR 36 HA THR 36 70.568 -4.399 -6.112 256 HB THR 36 HB THR 36 70.789 -2.576 -8.526 257 HG1 THR 36 HG1 THR 36 68.787 -4.153 -7.796 258 HG21 THR 36 HG21 THR 36 72.041 -4.293 -9.503 259 HG22 THR 36 HG22 THR 36 71.379 -5.520 -8.426 260 HG23 THR 36 HG23 THR 36 72.582 -4.379 -7.827 261 H TRP 37 HN TRP 37 72.654 -4.264 -5.338 262 HA TRP 37 HA TRP 37 73.887 -1.555 -5.166 263 HB2 TRP 37 HB2 TRP 37 72.908 -2.579 -3.004 264 HB3 TRP 37 HB1 TRP 37 74.265 -3.691 -3.072 265 HD1 TRP 37 HD1 TRP 37 76.515 -1.586 -4.072 266 HE1 TRP 37 HE1 TRP 37 77.358 0.193 -2.438 267 HE3 TRP 37 HE3 TRP 37 72.635 -1.525 -0.741 268 HZ2 TRP 37 HZ2 TRP 37 76.529 1.478 -0.043 269 HZ3 TRP 37 HZ3 TRP 37 72.696 -0.003 1.210 270 HH2 TRP 37 HH2 TRP 37 74.637 1.500 1.570 271 H LEU 38 HN LEU 38 75.421 -1.661 -6.695 272 HA LEU 38 HA LEU 38 77.461 -3.813 -6.442 273 HB2 LEU 38 HB2 LEU 38 76.585 -2.458 -9.001 274 HB3 LEU 38 HB1 LEU 38 77.860 -3.662 -8.851 275 HG LEU 38 HG LEU 38 74.934 -4.114 -8.175 276 HD11 LEU 38 HD11 LEU 38 75.128 -3.971 -10.550 277 HD12 LEU 38 HD12 LEU 38 75.159 -5.697 -10.182 278 HD13 LEU 38 HD13 LEU 38 76.661 -4.848 -10.550 279 HD21 LEU 38 HD21 LEU 38 76.088 -5.642 -6.811 280 HD22 LEU 38 HD22 LEU 38 77.421 -5.809 -7.950 281 HD23 LEU 38 HD23 LEU 38 75.875 -6.583 -8.283 282 H LEU 39 HN LEU 39 79.268 -3.010 -5.691 283 HA LEU 39 HA LEU 39 80.039 -0.219 -6.297 284 HB2 LEU 39 HB2 LEU 39 81.868 -1.070 -4.429 285 HB3 LEU 39 HB1 LEU 39 80.356 -0.300 -4.010 286 HG LEU 39 HG LEU 39 79.292 -2.563 -3.858 287 HD11 LEU 39 HD11 LEU 39 80.947 -3.795 -5.254 288 HD12 LEU 39 HD12 LEU 39 80.811 -4.510 -3.648 289 HD13 LEU 39 HD13 LEU 39 82.186 -3.484 -4.036 290 HD21 LEU 39 HD21 LEU 39 80.434 -3.125 -1.695 291 HD22 LEU 39 HD22 LEU 39 79.991 -1.427 -1.845 292 HD23 LEU 39 HD23 LEU 39 81.666 -1.926 -2.090 293 H ASP 40 HN ASP 40 82.569 -2.318 -5.354 294 HA ASP 40 HA ASP 40 83.907 -2.101 -7.801 295 HB2 ASP 40 HB2 ASP 40 84.289 -4.462 -5.947 296 HB3 ASP 40 HB1 ASP 40 85.498 -3.597 -6.899 297 H ASP 41 HN ASP 41 84.287 -4.063 -9.205 298 HA ASP 41 HA ASP 41 81.837 -4.906 -10.259 299 HB2 ASP 41 HB2 ASP 41 84.663 -5.824 -10.751 300 HB3 ASP 41 HB1 ASP 41 83.288 -6.452 -11.657 301 H GLU 42 HN GLU 42 82.123 -5.762 -7.411 302 HA GLU 42 HA GLU 42 81.545 -8.633 -7.889 303 HB2 GLU 42 HB2 GLU 42 83.196 -7.509 -5.608 304 HB3 GLU 42 HB1 GLU 42 82.584 -9.164 -5.670 305 HG2 GLU 42 HG2 GLU 42 83.895 -9.686 -7.591 306 HG3 GLU 42 HG1 GLU 42 84.265 -7.990 -7.895 307 HA PRO 43 HA PRO 43 77.746 -7.659 -5.815 308 HB2 PRO 43 HB2 PRO 43 77.634 -10.132 -4.297 309 HB3 PRO 43 HB1 PRO 43 76.721 -9.704 -5.751 310 HG2 PRO 43 HG2 PRO 43 78.983 -11.485 -5.497 311 HG3 PRO 43 HG1 PRO 43 77.960 -11.191 -6.910 312 HD2 PRO 43 HD2 PRO 43 80.652 -10.365 -6.597 313 HD3 PRO 43 HD1 PRO 43 79.534 -9.829 -7.863 314 H VAL 44 HN VAL 44 77.395 -6.502 -3.920 315 HA VAL 44 HA VAL 44 79.523 -6.589 -1.933 316 HB VAL 44 HB VAL 44 78.721 -4.435 -2.666 317 HG11 VAL 44 HG11 VAL 44 76.277 -5.402 -2.966 318 HG12 VAL 44 HG12 VAL 44 76.526 -3.703 -2.582 319 HG13 VAL 44 HG13 VAL 44 76.073 -4.829 -1.311 320 HG21 VAL 44 HG21 VAL 44 79.530 -4.786 -0.332 321 HG22 VAL 44 HG22 VAL 44 77.858 -4.976 0.175 322 HG23 VAL 44 HG23 VAL 44 78.402 -3.443 -0.487 323 H ARG 45 HN ARG 45 79.175 -8.631 -1.162 324 HA ARG 45 HA ARG 45 77.283 -8.760 1.048 325 HB2 ARG 45 HB2 ARG 45 76.080 -9.867 -0.806 326 HB3 ARG 45 HB1 ARG 45 77.473 -10.891 -1.116 327 HG2 ARG 45 HG2 ARG 45 76.072 -12.271 0.175 328 HG3 ARG 45 HG1 ARG 45 77.196 -11.643 1.372 329 HD2 ARG 45 HD2 ARG 45 75.573 -9.925 2.029 330 HD3 ARG 45 HD1 ARG 45 74.462 -10.473 0.781 331 HE ARG 45 HE ARG 45 74.824 -12.724 2.210 332 HH11 ARG 45 HH11 ARG 45 73.954 -9.470 2.975 333 HH12 ARG 45 HH12 ARG 45 73.192 -9.876 4.476 334 HH21 ARG 45 HH21 ARG 45 73.929 -13.252 4.242 335 HH22 ARG 45 HH22 ARG 45 73.180 -12.015 5.191 336 H THR 46 HN THR 46 78.968 -11.447 -0.337 337 HA THR 46 HA THR 46 80.786 -12.673 0.292 338 HB THR 46 HB THR 46 82.778 -11.502 0.521 339 HG1 THR 46 HG1 THR 46 81.388 -9.394 1.805 340 HG21 THR 46 HG21 THR 46 81.146 -10.572 -1.332 341 HG22 THR 46 HG22 THR 46 82.664 -9.743 -0.996 342 HG23 THR 46 HG23 THR 46 81.158 -9.124 -0.325 343 H SER 47 HN SER 47 82.311 -11.344 2.812 344 HA SER 47 HA SER 47 80.643 -12.711 4.865 345 HB2 SER 47 HB2 SER 47 83.652 -12.789 4.829 346 HB3 SER 47 HB1 SER 47 82.545 -13.777 5.774 347 HG SER 47 HG SER 47 83.010 -15.066 4.111 348 H GLU 48 HN GLU 48 82.778 -12.218 6.858 349 HA GLU 48 HA GLU 48 81.780 -9.822 7.922 350 HB2 GLU 48 HB2 GLU 48 83.704 -10.025 9.539 351 HB3 GLU 48 HB1 GLU 48 82.683 -11.455 9.405 352 HG2 GLU 48 HG2 GLU 48 84.303 -12.478 7.856 353 HG3 GLU 48 HG1 GLU 48 85.328 -11.047 7.978 354 H ASN 49 HN ASN 49 84.739 -10.432 6.064 355 HA ASN 49 HA ASN 49 85.857 -7.842 6.448 356 HB2 ASN 49 HB2 ASN 49 86.316 -9.946 4.335 357 HB3 ASN 49 HB1 ASN 49 87.227 -8.438 4.408 358 HD21 ASN 49 HD21 ASN 49 88.356 -11.134 4.845 359 HD22 ASN 49 HD22 ASN 49 88.949 -11.152 6.434 360 H ALA 50 HN ALA 50 83.009 -8.406 5.193 361 HA ALA 50 HA ALA 50 82.546 -5.959 4.029 362 HB1 ALA 50 HB1 ALA 50 82.359 -6.867 1.539 363 HB2 ALA 50 HB2 ALA 50 83.623 -7.975 2.080 364 HB3 ALA 50 HB3 ALA 50 83.891 -6.235 2.145 365 H GLU 51 HN GLU 51 80.366 -5.781 4.091 366 HA GLU 51 HA GLU 51 78.505 -7.536 3.020 367 HB2 GLU 51 HB2 GLU 51 79.232 -9.145 4.786 368 HB3 GLU 51 HB1 GLU 51 78.783 -7.962 6.010 369 HG2 GLU 51 HG2 GLU 51 76.457 -8.009 5.242 370 HG3 GLU 51 HG1 GLU 51 76.892 -9.115 3.939 371 H VAL 52 HN VAL 52 76.332 -6.719 3.273 372 HA VAL 52 HA VAL 52 76.231 -4.045 4.448 373 HB VAL 52 HB VAL 52 74.072 -5.421 2.845 374 HG11 VAL 52 HG11 VAL 52 73.527 -3.146 2.199 375 HG12 VAL 52 HG12 VAL 52 74.970 -2.531 3.006 376 HG13 VAL 52 HG13 VAL 52 73.651 -3.218 3.955 377 HG21 VAL 52 HG21 VAL 52 76.166 -5.718 1.582 378 HG22 VAL 52 HG22 VAL 52 76.518 -3.996 1.762 379 HG23 VAL 52 HG23 VAL 52 75.137 -4.515 0.804 380 H VAL 53 HN VAL 53 74.498 -3.439 5.859 381 HA VAL 53 HA VAL 53 72.996 -5.651 7.129 382 HB VAL 53 HB VAL 53 73.420 -4.350 9.330 383 HG11 VAL 53 HG11 VAL 53 74.365 -6.533 9.047 384 HG12 VAL 53 HG12 VAL 53 75.693 -5.494 9.561 385 HG13 VAL 53 HG13 VAL 53 75.535 -5.946 7.864 386 HG21 VAL 53 HG21 VAL 53 75.514 -3.072 9.369 387 HG22 VAL 53 HG22 VAL 53 74.409 -2.368 8.190 388 HG23 VAL 53 HG23 VAL 53 75.753 -3.371 7.652 389 H PHE 54 HN PHE 54 70.948 -5.181 7.727 390 HA PHE 54 HA PHE 54 69.861 -2.571 6.879 391 HB2 PHE 54 HB2 PHE 54 68.758 -5.342 7.196 392 HB3 PHE 54 HB1 PHE 54 67.645 -3.989 7.374 393 HD1 PHE 54 HD2 PHE 54 70.421 -5.097 5.089 394 HD2 PHE 54 HD1 PHE 54 66.553 -3.250 5.458 395 HE1 PHE 54 HE2 PHE 54 70.283 -4.901 2.623 396 HE2 PHE 54 HE1 PHE 54 66.419 -3.055 2.986 397 HZ PHE 54 HZ PHE 54 68.281 -3.880 1.569 398 H PHE 55 HN PHE 55 68.694 -1.264 8.214 399 HA PHE 55 HA PHE 55 68.292 -2.089 11.015 400 HB2 PHE 55 HB2 PHE 55 69.801 0.355 10.082 401 HB3 PHE 55 HB1 PHE 55 69.033 0.285 11.668 402 HD1 PHE 55 HD1 PHE 55 69.646 -1.575 13.255 403 HD2 PHE 55 HD2 PHE 55 71.861 -0.778 9.663 404 HE1 PHE 55 HE1 PHE 55 71.549 -2.893 14.139 405 HE2 PHE 55 HE2 PHE 55 73.764 -2.095 10.549 406 HZ PHE 55 HZ PHE 55 73.611 -3.156 12.786 407 H GLU 56 HN GLU 56 66.436 -1.447 11.861 408 HA GLU 56 HA GLU 56 64.343 -0.543 12.030 409 HB2 GLU 56 HB2 GLU 56 65.848 1.551 11.916 410 HB3 GLU 56 HB1 GLU 56 65.284 1.702 10.258 411 HG2 GLU 56 HG2 GLU 56 63.796 3.037 11.575 412 HG3 GLU 56 HG1 GLU 56 62.904 1.563 11.206 413 H ASN 57 HN ASN 57 64.804 -2.451 9.939 414 HA ASN 57 HA ASN 57 63.661 -3.384 8.187 415 HB2 ASN 57 HB2 ASN 57 61.720 -2.450 9.550 416 HB3 ASN 57 HB1 ASN 57 61.689 -1.116 8.401 417 HD21 ASN 57 HD21 ASN 57 59.745 -3.455 8.876 418 HD22 ASN 57 HD22 ASN 57 59.543 -4.134 7.334 419 H GLY 58 HN GLY 58 65.797 -1.726 7.418 420 HA2 GLY 58 HA2 GLY 58 66.649 -1.010 5.384 421 HA3 GLY 58 HA1 GLY 58 65.052 -1.221 4.685 422 H LEU 59 HN LEU 59 65.100 0.747 7.474 423 HA LEU 59 HA LEU 59 64.414 3.064 5.909 424 HB2 LEU 59 HB2 LEU 59 63.905 2.210 8.482 425 HB3 LEU 59 HB1 LEU 59 65.081 3.478 8.764 426 HG LEU 59 HG LEU 59 62.853 4.432 8.866 427 HD11 LEU 59 HD11 LEU 59 63.834 5.276 6.149 428 HD12 LEU 59 HD12 LEU 59 64.791 5.612 7.592 429 HD13 LEU 59 HD13 LEU 59 63.158 6.260 7.447 430 HD21 LEU 59 HD21 LEU 59 61.147 4.060 7.350 431 HD22 LEU 59 HD22 LEU 59 61.991 2.523 7.200 432 HD23 LEU 59 HD23 LEU 59 62.240 3.788 5.996 433 H ARG 60 HN ARG 60 67.209 1.566 7.015 434 HA ARG 60 HA ARG 60 68.919 3.704 6.009 435 HB2 ARG 60 HB2 ARG 60 69.039 2.681 8.849 436 HB3 ARG 60 HB1 ARG 60 70.437 3.407 8.057 437 HG2 ARG 60 HG2 ARG 60 69.193 5.470 7.674 438 HG3 ARG 60 HG1 ARG 60 67.739 4.755 8.374 439 HD2 ARG 60 HD2 ARG 60 68.844 6.126 10.059 440 HD3 ARG 60 HD1 ARG 60 68.983 4.429 10.513 441 HE ARG 60 HE ARG 60 71.240 5.253 8.972 442 HH11 ARG 60 HH21 ARG 60 70.292 7.070 11.507 443 HH12 ARG 60 HH22 ARG 60 71.546 6.609 12.613 444 HH21 ARG 60 HH11 ARG 60 72.678 3.986 10.646 445 HH22 ARG 60 HH12 ARG 60 72.901 4.866 12.121 446 H HIS 61 HN HIS 61 71.129 2.932 5.633 447 HA HIS 61 HA HIS 61 71.515 0.022 5.777 448 HB2 HIS 61 HB2 HIS 61 71.900 1.532 3.181 449 HB3 HIS 61 HB1 HIS 61 72.088 -0.199 3.454 450 HD1 HIS 61 HD1 HIS 61 69.483 2.479 3.103 451 HD2 HIS 61 HD2 HIS 61 69.638 -1.656 3.612 452 HE1 HIS 61 HE1 HIS 61 67.130 1.625 2.735 453 H LEU 62 HN LEU 62 73.510 -0.478 6.344 454 HA LEU 62 HA LEU 62 75.663 1.542 6.035 455 HB2 LEU 62 HB2 LEU 62 74.897 -0.111 8.432 456 HB3 LEU 62 HB1 LEU 62 76.569 0.388 8.209 457 HG LEU 62 HG LEU 62 75.755 2.764 8.000 458 HD11 LEU 62 HD11 LEU 62 73.132 1.388 8.408 459 HD12 LEU 62 HD12 LEU 62 73.506 2.878 7.545 460 HD13 LEU 62 HD13 LEU 62 73.369 2.892 9.298 461 HD21 LEU 62 HD21 LEU 62 76.721 2.093 10.074 462 HD22 LEU 62 HD22 LEU 62 75.290 1.166 10.525 463 HD23 LEU 62 HD23 LEU 62 75.227 2.928 10.499 464 H LEU 63 HN LEU 63 77.458 0.837 5.054 465 HA LEU 63 HA LEU 63 77.787 -2.093 4.644 466 HB2 LEU 63 HB2 LEU 63 77.397 -1.116 2.526 467 HB3 LEU 63 HB1 LEU 63 78.405 0.280 2.884 468 HG LEU 63 HG LEU 63 80.421 -1.060 2.786 469 HD11 LEU 63 HD11 LEU 63 79.950 -3.140 3.720 470 HD12 LEU 63 HD12 LEU 63 80.036 -3.559 2.010 471 HD13 LEU 63 HD13 LEU 63 78.469 -3.347 2.791 472 HD21 LEU 63 HD21 LEU 63 78.471 -1.379 0.509 473 HD22 LEU 63 HD22 LEU 63 80.083 -2.087 0.403 474 HD23 LEU 63 HD23 LEU 63 79.896 -0.350 0.619 475 H LEU 64 HN LEU 64 79.365 -2.875 5.974 476 HA LEU 64 HA LEU 64 81.681 -1.130 6.556 477 HB2 LEU 64 HB2 LEU 64 80.351 -1.709 8.512 478 HB3 LEU 64 HB1 LEU 64 80.456 -3.418 8.114 479 HG LEU 64 HG LEU 64 82.887 -3.375 8.447 480 HD11 LEU 64 HD11 LEU 64 83.627 -1.236 7.819 481 HD12 LEU 64 HD12 LEU 64 83.757 -1.174 9.573 482 HD13 LEU 64 HD13 LEU 64 82.384 -0.417 8.767 483 HD21 LEU 64 HD21 LEU 64 81.362 -2.069 10.719 484 HD22 LEU 64 HD22 LEU 64 82.885 -2.944 10.877 485 HD23 LEU 64 HD23 LEU 64 81.423 -3.797 10.381 486 H LEU 65 HN LEU 65 83.582 -1.695 5.841 487 HA LEU 65 HA LEU 65 84.238 -4.517 5.313 488 HB2 LEU 65 HB2 LEU 65 85.538 -3.678 3.273 489 HB3 LEU 65 HB1 LEU 65 83.789 -3.800 3.099 490 HG LEU 65 HG LEU 65 84.920 -1.174 4.045 491 HD11 LEU 65 HD11 LEU 65 85.287 -0.446 1.715 492 HD12 LEU 65 HD12 LEU 65 84.936 -2.080 1.145 493 HD13 LEU 65 HD13 LEU 65 86.367 -1.778 2.131 494 HD21 LEU 65 HD21 LEU 65 83.032 -0.289 2.755 495 HD22 LEU 65 HD22 LEU 65 82.456 -1.565 3.820 496 HD23 LEU 65 HD23 LEU 65 82.693 -1.890 2.106 497 H LYS 66 HN LYS 66 86.244 -5.067 6.082 498 HA LYS 66 HA LYS 66 87.808 -2.920 7.354 499 HB2 LYS 66 HB2 LYS 66 87.696 -5.910 7.792 500 HB3 LYS 66 HB1 LYS 66 88.826 -4.848 8.623 501 HG2 LYS 66 HG2 LYS 66 86.831 -3.495 9.404 502 HG3 LYS 66 HG1 LYS 66 85.807 -4.787 8.777 503 HD2 LYS 66 HD2 LYS 66 88.027 -5.244 10.791 504 HD3 LYS 66 HD1 LYS 66 86.346 -4.973 11.247 505 HE2 LYS 66 HE2 LYS 66 85.749 -6.934 9.730 506 HE3 LYS 66 HE1 LYS 66 87.477 -7.275 9.640 507 HZ1 LYS 66 HZ1 LYS 66 86.856 -6.876 12.317 508 HZ2 LYS 66 HZ2 LYS 66 87.312 -8.327 11.558 509 HZ3 LYS 66 HZ3 LYS 66 85.669 -7.917 11.696 510 H ASN 67 HN ASN 67 90.166 -4.308 7.667 511 HA ASN 67 HA ASN 67 92.265 -4.217 6.588 512 HB2 ASN 67 HB2 ASN 67 90.673 -6.279 5.051 513 HB3 ASN 67 HB1 ASN 67 92.427 -6.116 4.975 514 HD21 ASN 67 HD21 ASN 67 90.084 -7.919 6.468 515 HD22 ASN 67 HD22 ASN 67 90.898 -8.301 7.908 516 H LEU 68 HN LEU 68 90.874 -2.026 5.679 517 HA LEU 68 HA LEU 68 90.350 -1.930 2.947 518 HB2 LEU 68 HB2 LEU 68 91.315 0.295 4.738 519 HB3 LEU 68 HB1 LEU 68 90.564 0.511 3.161 520 HG LEU 68 HG LEU 68 89.262 -0.872 5.521 521 HD11 LEU 68 HD11 LEU 68 89.656 1.628 5.730 522 HD12 LEU 68 HD12 LEU 68 87.967 1.125 5.806 523 HD13 LEU 68 HD13 LEU 68 88.609 1.831 4.326 524 HD21 LEU 68 HD21 LEU 68 87.211 -0.298 3.891 525 HD22 LEU 68 HD22 LEU 68 88.140 -1.777 3.695 526 HD23 LEU 68 HD23 LEU 68 88.467 -0.391 2.656 527 H ARG 69 HN ARG 69 91.695 -2.586 1.434 528 HA ARG 69 HA ARG 69 94.532 -1.778 1.492 529 HB2 ARG 69 HB2 ARG 69 92.984 -3.862 -0.053 530 HB3 ARG 69 HB1 ARG 69 94.621 -3.401 -0.512 531 HG2 ARG 69 HG2 ARG 69 94.075 -4.159 2.351 532 HG3 ARG 69 HG1 ARG 69 94.212 -5.430 1.141 533 HD2 ARG 69 HD2 ARG 69 96.313 -3.281 1.346 534 HD3 ARG 69 HD1 ARG 69 96.367 -4.698 2.388 535 HE ARG 69 HE ARG 69 96.037 -5.654 -0.199 536 HH11 ARG 69 HH11 ARG 69 98.450 -5.751 1.896 537 HH12 ARG 69 HH12 ARG 69 99.753 -5.380 0.818 538 HH21 ARG 69 HH21 ARG 69 97.683 -4.316 -1.751 539 HH22 ARG 69 HH22 ARG 69 99.321 -4.562 -1.243 540 HA PRO 70 HA PRO 70 93.806 1.323 -1.594 541 HB2 PRO 70 HB2 PRO 70 96.040 0.649 -3.309 542 HB3 PRO 70 HB1 PRO 70 95.929 1.967 -2.134 543 HG2 PRO 70 HG2 PRO 70 97.396 -0.508 -1.925 544 HG3 PRO 70 HG1 PRO 70 97.387 0.867 -0.814 545 HD2 PRO 70 HD2 PRO 70 96.208 -1.695 -0.372 546 HD3 PRO 70 HD1 PRO 70 96.051 -0.257 0.655 547 H GLN 71 HN GLN 71 94.496 -1.974 -2.575 548 HA GLN 71 HA GLN 71 93.659 -1.864 -5.248 549 HB2 GLN 71 HB2 GLN 71 94.834 -3.799 -4.258 550 HB3 GLN 71 HB1 GLN 71 93.382 -4.192 -3.332 551 HG2 GLN 71 HG2 GLN 71 92.110 -4.569 -5.363 552 HG3 GLN 71 HG1 GLN 71 93.439 -3.974 -6.358 553 HE21 GLN 71 HE21 GLN 71 92.463 -6.577 -6.839 554 HE22 GLN 71 HE22 GLN 71 93.619 -7.711 -6.332 555 H ASP 72 HN ASP 72 91.710 -3.019 -2.421 556 HA ASP 72 HA ASP 72 89.360 -3.313 -3.834 557 HB2 ASP 72 HB2 ASP 72 88.241 -3.222 -1.639 558 HB3 ASP 72 HB1 ASP 72 89.680 -4.238 -1.615 559 H SER 73 HN SER 73 90.723 -0.278 -2.511 560 HA SER 73 HA SER 73 88.352 1.193 -2.497 561 HB2 SER 73 HB2 SER 73 89.735 3.042 -2.189 562 HB3 SER 73 HB1 SER 73 90.773 1.730 -1.642 563 HG SER 73 HG SER 73 90.982 3.372 -3.829 564 H CYS 74 HN CYS 74 87.231 2.257 -4.018 565 HA CYS 74 HA CYS 74 88.183 3.056 -6.550 566 HB2 CYS 74 HB2 CYS 74 87.144 1.455 -8.028 567 HB3 CYS 74 HB1 CYS 74 88.184 0.563 -6.921 568 HG CYS 74 HG CYS 74 85.408 -0.134 -7.221 569 H ARG 75 HN ARG 75 85.420 2.084 -7.641 570 HA ARG 75 HA ARG 75 83.932 4.433 -6.682 571 HB2 ARG 75 HB2 ARG 75 84.213 4.136 -9.110 572 HB3 ARG 75 HB1 ARG 75 83.412 2.568 -9.010 573 HG2 ARG 75 HG2 ARG 75 81.375 3.724 -8.087 574 HG3 ARG 75 HG1 ARG 75 82.185 5.266 -8.355 575 HD2 ARG 75 HD2 ARG 75 81.635 3.197 -10.490 576 HD3 ARG 75 HD1 ARG 75 80.653 4.633 -10.202 577 HE ARG 75 HE ARG 75 83.259 4.539 -11.477 578 HH11 ARG 75 HH21 ARG 75 80.522 6.369 -10.546 579 HH12 ARG 75 HH22 ARG 75 81.250 7.908 -10.857 580 HH21 ARG 75 HH11 ARG 75 84.369 6.581 -11.586 581 HH22 ARG 75 HH12 ARG 75 83.427 8.029 -11.450 582 H VAL 76 HN VAL 76 81.961 4.327 -5.705 583 HA VAL 76 HA VAL 76 80.836 1.644 -5.119 584 HB VAL 76 HB VAL 76 81.015 4.098 -3.360 585 HG11 VAL 76 HG11 VAL 76 78.810 3.261 -3.008 586 HG12 VAL 76 HG12 VAL 76 79.781 2.587 -1.701 587 HG13 VAL 76 HG13 VAL 76 79.351 1.587 -3.086 588 HG21 VAL 76 HG21 VAL 76 81.935 1.238 -2.945 589 HG22 VAL 76 HG22 VAL 76 82.214 2.594 -1.854 590 HG23 VAL 76 HG23 VAL 76 82.986 2.564 -3.441 591 H THR 77 HN THR 77 78.756 1.360 -5.798 592 HA THR 77 HA THR 77 77.096 3.767 -6.311 593 HB THR 77 HB THR 77 77.381 1.399 -8.172 594 HG1 THR 77 HG1 THR 77 77.983 3.967 -8.971 595 HG21 THR 77 HG21 THR 77 76.003 2.874 -9.673 596 HG22 THR 77 HG22 THR 77 75.757 3.951 -8.300 597 HG23 THR 77 HG23 THR 77 75.136 2.301 -8.248 598 H PHE 78 HN PHE 78 75.073 3.663 -5.586 599 HA PHE 78 HA PHE 78 73.877 1.032 -4.931 600 HB2 PHE 78 HB2 PHE 78 74.637 2.085 -2.864 601 HB3 PHE 78 HB1 PHE 78 73.825 3.582 -3.297 602 HD1 PHE 78 HD1 PHE 78 72.812 -0.063 -3.230 603 HD2 PHE 78 HD2 PHE 78 71.926 3.960 -2.001 604 HE1 PHE 78 HE1 PHE 78 70.789 -0.866 -2.055 605 HE2 PHE 78 HE2 PHE 78 69.896 3.153 -0.838 606 HZ PHE 78 HZ PHE 78 69.330 0.739 -0.860 607 H LEU 79 HN LEU 79 72.098 0.757 -6.128 608 HA LEU 79 HA LEU 79 70.587 3.130 -7.057 609 HB2 LEU 79 HB2 LEU 79 71.566 1.876 -8.876 610 HB3 LEU 79 HB1 LEU 79 70.884 0.374 -8.262 611 HG LEU 79 HG LEU 79 68.615 1.167 -8.704 612 HD11 LEU 79 HD11 LEU 79 70.040 3.761 -9.278 613 HD12 LEU 79 HD12 LEU 79 68.611 3.479 -8.285 614 HD13 LEU 79 HD13 LEU 79 68.489 3.416 -10.043 615 HD21 LEU 79 HD21 LEU 79 70.416 1.767 -11.062 616 HD22 LEU 79 HD22 LEU 79 68.723 1.277 -11.132 617 HD23 LEU 79 HD23 LEU 79 69.944 0.148 -10.549 618 H ALA 80 HN ALA 80 69.202 3.302 -5.292 619 HA ALA 80 HA ALA 80 67.368 1.043 -4.768 620 HB1 ALA 80 HB1 ALA 80 66.633 2.721 -2.877 621 HB2 ALA 80 HB2 ALA 80 68.183 3.491 -3.223 622 HB3 ALA 80 HB3 ALA 80 68.128 1.810 -2.699 623 H GLY 81 HN GLY 81 66.034 1.213 -6.589 624 HA2 GLY 81 HA2 GLY 81 64.311 2.028 -7.892 625 HA3 GLY 81 HA1 GLY 81 63.778 2.826 -6.414 626 H ASP 82 HN ASP 82 63.039 4.538 -7.932 627 HA ASP 82 HA ASP 82 64.568 6.033 -9.642 628 HB2 ASP 82 HB2 ASP 82 62.102 6.303 -9.087 629 HB3 ASP 82 HB1 ASP 82 62.608 7.267 -7.695 630 H MET 83 HN MET 83 65.205 5.595 -6.386 631 HA MET 83 HA MET 83 66.638 8.167 -6.087 632 HB2 MET 83 HB2 MET 83 66.138 6.010 -4.027 633 HB3 MET 83 HB1 MET 83 66.805 7.607 -3.737 634 HG2 MET 83 HG2 MET 83 64.651 8.557 -4.708 635 HG3 MET 83 HG1 MET 83 64.003 6.917 -4.635 636 HE1 MET 83 HE1 MET 83 64.249 5.461 -2.767 637 HE2 MET 83 HE2 MET 83 63.818 5.909 -1.119 638 HE3 MET 83 HE3 MET 83 65.507 5.924 -1.614 639 H VAL 84 HN VAL 84 68.785 8.230 -6.460 640 HA VAL 84 HA VAL 84 70.358 5.741 -6.094 641 HB VAL 84 HB VAL 84 70.006 5.954 -8.460 642 HG11 VAL 84 HG11 VAL 84 70.499 7.998 -9.693 643 HG12 VAL 84 HG12 VAL 84 71.032 8.798 -8.215 644 HG13 VAL 84 HG13 VAL 84 69.335 8.358 -8.417 645 HG21 VAL 84 HG21 VAL 84 72.245 5.943 -9.194 646 HG22 VAL 84 HG22 VAL 84 72.389 5.561 -7.479 647 HG23 VAL 84 HG23 VAL 84 72.728 7.193 -8.051 648 H THR 85 HN THR 85 72.166 5.958 -4.982 649 HA THR 85 HA THR 85 73.328 8.651 -4.530 650 HB THR 85 HB THR 85 73.486 8.286 -2.233 651 HG1 THR 85 HG1 THR 85 73.146 5.510 -2.577 652 HG21 THR 85 HG21 THR 85 71.182 6.424 -2.857 653 HG22 THR 85 HG22 THR 85 71.066 8.177 -3.010 654 HG23 THR 85 HG23 THR 85 71.381 7.449 -1.436 655 H SER 86 HN SER 86 75.520 8.757 -4.862 656 HA SER 86 HA SER 86 77.128 6.308 -4.808 657 HB2 SER 86 HB2 SER 86 76.711 7.961 -7.302 658 HB3 SER 86 HB1 SER 86 78.076 6.869 -7.091 659 HG SER 86 HG SER 86 76.087 6.022 -8.133 660 H ALA 87 HN ALA 87 79.226 6.683 -4.245 661 HA ALA 87 HA ALA 87 80.334 9.390 -4.447 662 HB1 ALA 87 HB1 ALA 87 79.126 9.264 -2.256 663 HB2 ALA 87 HB2 ALA 87 80.857 9.557 -2.099 664 HB3 ALA 87 HB3 ALA 87 80.204 7.948 -1.791 665 H PHE 88 HN PHE 88 82.628 9.468 -3.950 666 HA PHE 88 HA PHE 88 83.998 7.185 -5.035 667 HB2 PHE 88 HB2 PHE 88 85.047 9.800 -3.933 668 HB3 PHE 88 HB1 PHE 88 86.005 8.611 -4.814 669 HD1 PHE 88 HD1 PHE 88 85.598 8.182 -7.209 670 HD2 PHE 88 HD2 PHE 88 83.427 11.204 -5.065 671 HE1 PHE 88 HE1 PHE 88 84.859 9.172 -9.357 672 HE2 PHE 88 HE2 PHE 88 82.684 12.194 -7.213 673 HZ PHE 88 HZ PHE 88 83.400 11.179 -9.360 674 H LEU 89 HN LEU 89 85.933 6.285 -4.077 675 HA LEU 89 HA LEU 89 85.960 6.173 -1.124 676 HB2 LEU 89 HB2 LEU 89 84.861 4.119 -1.908 677 HB3 LEU 89 HB1 LEU 89 86.197 3.807 -3.007 678 HG LEU 89 HG LEU 89 87.741 3.570 -1.110 679 HD11 LEU 89 HD11 LEU 89 85.290 4.339 0.470 680 HD12 LEU 89 HD12 LEU 89 86.921 5.006 0.579 681 HD13 LEU 89 HD13 LEU 89 86.583 3.402 1.212 682 HD21 LEU 89 HD21 LEU 89 85.333 1.889 -0.411 683 HD22 LEU 89 HD22 LEU 89 87.034 1.423 -0.457 684 HD23 LEU 89 HD23 LEU 89 86.147 1.669 -1.959 685 H THR 90 HN THR 90 88.033 6.159 -0.244 686 HA THR 90 HA THR 90 90.330 5.922 -2.086 687 HB THR 90 HB THR 90 91.326 7.988 -1.193 688 HG1 THR 90 HG1 THR 90 89.013 8.980 -0.186 689 HG21 THR 90 HG21 THR 90 89.991 8.101 -3.269 690 HG22 THR 90 HG22 THR 90 89.846 9.590 -2.332 691 HG23 THR 90 HG23 THR 90 88.540 8.405 -2.313 692 H VAL 91 HN VAL 91 91.947 4.797 -1.219 693 HA VAL 91 HA VAL 91 92.326 4.776 1.703 694 HB VAL 91 HB VAL 91 92.303 2.233 0.069 695 HG11 VAL 91 HG11 VAL 91 93.689 2.475 2.228 696 HG12 VAL 91 HG12 VAL 91 92.548 1.137 2.164 697 HG13 VAL 91 HG13 VAL 91 92.140 2.596 3.067 698 HG21 VAL 91 HG21 VAL 91 90.174 3.376 1.910 699 HG22 VAL 91 HG22 VAL 91 90.153 1.754 1.221 700 HG23 VAL 91 HG23 VAL 91 90.028 3.160 0.166 701 H ARG 92 HN ARG 92 94.438 5.065 2.181 702 HA ARG 92 HA ARG 92 96.446 4.519 0.067 703 HB2 ARG 92 HB2 ARG 92 96.055 6.910 0.554 704 HB3 ARG 92 HB1 ARG 92 96.477 6.623 2.239 705 HG2 ARG 92 HG2 ARG 92 98.729 5.899 1.572 706 HG3 ARG 92 HG1 ARG 92 98.310 6.124 -0.127 707 HD2 ARG 92 HD2 ARG 92 97.897 8.519 0.297 708 HD3 ARG 92 HD1 ARG 92 98.322 8.292 1.993 709 HE ARG 92 HE ARG 92 100.168 8.282 -0.290 710 HH11 ARG 92 HH11 ARG 92 99.645 7.467 3.026 711 HH12 ARG 92 HH12 ARG 92 101.290 7.736 3.499 712 HH21 ARG 92 HH21 ARG 92 102.299 8.775 0.346 713 HH22 ARG 92 HH22 ARG 92 102.791 8.485 1.980 714 H GLY 93 HN GLY 93 98.514 3.821 0.696 715 HA2 GLY 93 HA2 GLY 93 98.866 2.847 3.459 716 HA3 GLY 93 HA1 GLY 93 99.024 1.703 2.126 717 H GLY 94 HN GLY 94 101.042 2.583 4.076 718 HA2 GLY 94 HA2 GLY 94 102.900 4.301 2.675 719 HA3 GLY 94 HA1 GLY 94 103.190 3.464 4.195 720 H LEU 95 HN LEU 95 104.889 3.714 1.789 721 HA LEU 95 HA LEU 95 105.137 0.866 0.982 722 HB2 LEU 95 HB2 LEU 95 106.251 3.359 -0.332 723 HB3 LEU 95 HB1 LEU 95 106.437 1.709 -0.924 724 HG LEU 95 HG LEU 95 103.784 3.131 -0.541 725 HD11 LEU 95 HD11 LEU 95 103.726 3.408 -2.917 726 HD12 LEU 95 HD12 LEU 95 105.137 2.375 -3.143 727 HD13 LEU 95 HD13 LEU 95 105.319 3.968 -2.407 728 HD21 LEU 95 HD21 LEU 95 104.583 0.353 -1.399 729 HD22 LEU 95 HD22 LEU 95 103.140 1.084 -2.105 730 HD23 LEU 95 HD23 LEU 95 103.252 0.862 -0.363 731 H GLU 96 HN GLU 96 106.821 3.664 2.294 732 HA GLU 96 HA GLU 96 109.349 2.241 2.507 733 HB2 GLU 96 HB2 GLU 96 108.480 4.967 3.508 734 HB3 GLU 96 HB1 GLU 96 110.117 4.325 3.626 735 HG2 GLU 96 HG2 GLU 96 110.213 5.594 1.653 736 HG3 GLU 96 HG1 GLU 96 109.917 3.968 1.047 737 H HIS 97 HN HIS 97 109.861 0.956 4.151 738 HA HIS 97 HA HIS 97 108.117 0.711 6.427 739 HB2 HIS 97 HB2 HIS 97 110.754 -0.599 5.736 740 HB3 HIS 97 HB1 HIS 97 109.805 -0.996 7.168 741 HD1 HIS 97 HD1 HIS 97 107.083 -1.448 6.424 742 HD2 HIS 97 HD2 HIS 97 110.090 -2.291 3.662 743 HE1 HIS 97 HE1 HIS 97 106.077 -3.043 4.734 744 H HIS 98 HN HIS 98 111.302 2.111 5.802 745 HA HIS 98 HA HIS 98 111.095 3.676 8.247 746 HB2 HIS 98 HB2 HIS 98 113.307 2.974 9.088 747 HB3 HIS 98 HB1 HIS 98 112.156 1.635 9.076 748 HD1 HIS 98 HD1 HIS 98 114.635 3.099 6.547 749 HD2 HIS 98 HD2 HIS 98 113.317 -0.592 7.972 750 HE1 HIS 98 HE1 HIS 98 115.963 1.334 5.305 751 H HIS 99 HN HIS 99 112.852 5.283 8.407 752 HA HIS 99 HA HIS 99 113.400 6.427 5.805 753 HB2 HIS 99 HB2 HIS 99 114.136 7.330 8.598 754 HB3 HIS 99 HB1 HIS 99 114.417 8.268 7.134 755 HD1 HIS 99 HD1 HIS 99 112.449 9.101 9.509 756 HD2 HIS 99 HD2 HIS 99 111.297 7.397 5.882 757 HE1 HIS 99 HE1 HIS 99 110.028 9.746 9.151 758 H HIS 100 HN HIS 100 115.564 5.913 8.592 759 HA HIS 100 HA HIS 100 117.476 4.442 7.017 760 HB2 HIS 100 HB2 HIS 100 119.310 6.090 7.264 761 HB3 HIS 100 HB1 HIS 100 118.016 6.681 6.224 762 HD1 HIS 100 HD1 HIS 100 119.125 6.934 9.866 763 HD2 HIS 100 HD2 HIS 100 116.979 9.119 7.037 764 HE1 HIS 100 HE1 HIS 100 118.589 9.164 10.939 765 H HIS 101 HN HIS 101 118.861 3.278 8.300 766 HA HIS 101 HA HIS 101 119.020 3.936 11.177 767 HB2 HIS 101 HB2 HIS 101 118.627 1.563 11.756 768 HB3 HIS 101 HB1 HIS 101 117.219 2.293 10.984 769 HD1 HIS 101 HD1 HIS 101 116.987 1.788 8.331 770 HD2 HIS 101 HD2 HIS 101 119.579 -0.700 10.447 771 HE1 HIS 101 HE1 HIS 101 117.370 -0.252 6.876 772 H HIS 102 HN HIS 102 121.020 3.810 11.926 773 HA HIS 102 HA HIS 102 122.952 1.916 10.822 774 HB2 HIS 102 HB2 HIS 102 123.244 4.913 10.573 775 HB3 HIS 102 HB1 HIS 102 124.622 3.816 10.502 776 HD1 HIS 102 HD1 HIS 102 121.257 4.301 8.770 777 HD2 HIS 102 HD2 HIS 102 125.053 2.773 7.974 778 HE1 HIS 102 HE1 HIS 102 121.279 3.677 6.316 Start of MODEL 15 1 H1 THR 1 HT1 THR 1 54.098 3.835 4.495 2 H2 THR 1 HT2 THR 1 55.210 4.569 3.440 3 H3 THR 1 HT3 THR 1 55.760 3.608 4.731 4 HA THR 1 HA THR 1 55.981 2.195 2.929 5 HB THR 1 HB THR 1 53.149 1.572 3.792 6 HG1 THR 1 HG1 THR 1 53.838 1.355 5.735 7 HG21 THR 1 HG21 THR 1 54.418 0.176 2.067 8 HG22 THR 1 HG22 THR 1 53.792 -0.691 3.469 9 HG23 THR 1 HG23 THR 1 55.505 -0.270 3.379 10 H ALA 2 HN ALA 2 55.350 4.549 1.618 11 HA ALA 2 HA ALA 2 54.096 3.619 -0.769 12 HB1 ALA 2 HB1 ALA 2 52.085 4.015 0.763 13 HB2 ALA 2 HB2 ALA 2 52.074 4.903 -0.763 14 HB3 ALA 2 HB3 ALA 2 52.528 5.723 0.728 15 H LYS 3 HN LYS 3 56.137 5.642 0.876 16 HA LYS 3 HA LYS 3 56.217 7.586 -1.358 17 HB2 LYS 3 HB2 LYS 3 55.727 8.118 1.377 18 HB3 LYS 3 HB1 LYS 3 57.394 8.615 1.116 19 HG2 LYS 3 HG2 LYS 3 55.078 9.486 -0.652 20 HG3 LYS 3 HG1 LYS 3 55.699 10.435 0.699 21 HD2 LYS 3 HD2 LYS 3 57.985 10.345 -0.391 22 HD3 LYS 3 HD1 LYS 3 57.224 9.626 -1.814 23 HE2 LYS 3 HE2 LYS 3 56.337 12.255 -0.594 24 HE3 LYS 3 HE1 LYS 3 57.491 12.148 -1.921 25 HZ1 LYS 3 HZ1 LYS 3 55.793 11.975 -3.320 26 HZ2 LYS 3 HZ2 LYS 3 54.684 12.065 -2.035 27 HZ3 LYS 3 HZ3 LYS 3 55.271 10.555 -2.557 28 H ASN 4 HN ASN 4 58.328 8.143 -2.151 29 HA ASN 4 HA ASN 4 60.594 6.711 -0.938 30 HB2 ASN 4 HB2 ASN 4 61.398 6.037 -3.136 31 HB3 ASN 4 HB1 ASN 4 59.796 5.364 -2.866 32 HD21 ASN 4 HD21 ASN 4 60.888 5.741 -5.506 33 HD22 ASN 4 HD22 ASN 4 59.961 6.925 -6.293 34 H THR 5 HN THR 5 61.851 8.403 -0.235 35 HA THR 5 HA THR 5 62.717 10.371 -2.230 36 HB THR 5 HB THR 5 61.472 11.136 0.432 37 HG1 THR 5 HG1 THR 5 60.673 12.395 -1.828 38 HG21 THR 5 HG21 THR 5 63.131 12.667 -1.563 39 HG22 THR 5 HG22 THR 5 63.336 12.573 0.188 40 HG23 THR 5 HG23 THR 5 61.987 13.480 -0.501 41 H VAL 6 HN VAL 6 64.877 10.080 -2.181 42 HA VAL 6 HA VAL 6 66.274 9.072 0.068 43 HB VAL 6 HB VAL 6 67.005 8.933 -2.351 44 HG11 VAL 6 HG11 VAL 6 68.179 11.672 -1.863 45 HG12 VAL 6 HG12 VAL 6 66.652 11.462 -2.718 46 HG13 VAL 6 HG13 VAL 6 68.132 10.759 -3.370 47 HG21 VAL 6 HG21 VAL 6 68.940 10.010 -0.286 48 HG22 VAL 6 HG22 VAL 6 69.414 9.170 -1.761 49 HG23 VAL 6 HG23 VAL 6 68.502 8.316 -0.515 50 H VAL 7 HN VAL 7 67.334 10.059 1.672 51 HA VAL 7 HA VAL 7 67.066 12.997 1.958 52 HB VAL 7 HB VAL 7 67.562 10.743 3.910 53 HG11 VAL 7 HG11 VAL 7 69.050 12.522 4.615 54 HG12 VAL 7 HG12 VAL 7 67.634 12.553 5.659 55 HG13 VAL 7 HG13 VAL 7 67.793 13.738 4.362 56 HG21 VAL 7 HG21 VAL 7 65.514 11.490 4.911 57 HG22 VAL 7 HG22 VAL 7 65.221 11.345 3.178 58 HG23 VAL 7 HG23 VAL 7 65.478 12.933 3.902 59 H ARG 8 HN ARG 8 69.290 10.293 2.202 60 HA ARG 8 HA ARG 8 71.486 11.876 1.199 61 HB2 ARG 8 HB2 ARG 8 71.839 12.333 3.529 62 HB3 ARG 8 HB1 ARG 8 71.540 10.650 3.963 63 HG2 ARG 8 HG2 ARG 8 73.572 9.929 2.846 64 HG3 ARG 8 HG1 ARG 8 73.829 11.529 2.162 65 HD2 ARG 8 HD2 ARG 8 73.697 11.011 5.142 66 HD3 ARG 8 HD1 ARG 8 75.212 10.962 4.246 67 HE ARG 8 HE ARG 8 74.467 13.367 3.556 68 HH11 ARG 8 HH11 ARG 8 75.955 12.814 6.247 69 HH12 ARG 8 HH12 ARG 8 75.079 13.879 7.296 70 HH21 ARG 8 HH21 ARG 8 72.420 14.276 5.084 71 HH22 ARG 8 HH22 ARG 8 73.042 14.671 6.651 72 H GLY 9 HN GLY 9 73.060 10.669 0.308 73 HA2 GLY 9 HA2 GLY 9 72.463 7.788 -0.048 74 HA3 GLY 9 HA1 GLY 9 73.290 8.825 -1.195 75 H LEU 10 HN LEU 10 75.149 7.712 -1.375 76 HA LEU 10 HA LEU 10 76.662 6.749 0.855 77 HB2 LEU 10 HB2 LEU 10 77.346 7.208 -2.059 78 HB3 LEU 10 HB1 LEU 10 78.402 6.382 -0.916 79 HG LEU 10 HG LEU 10 75.558 5.523 -1.481 80 HD11 LEU 10 HD11 LEU 10 76.735 5.307 -3.546 81 HD12 LEU 10 HD12 LEU 10 76.741 3.693 -2.829 82 HD13 LEU 10 HD13 LEU 10 78.187 4.704 -2.741 83 HD21 LEU 10 HD21 LEU 10 76.170 4.511 0.563 84 HD22 LEU 10 HD22 LEU 10 77.869 4.392 0.110 85 HD23 LEU 10 HD23 LEU 10 76.691 3.289 -0.593 86 H GLU 11 HN GLU 11 78.808 7.574 1.422 87 HA GLU 11 HA GLU 11 79.170 10.458 0.869 88 HB2 GLU 11 HB2 GLU 11 78.051 10.139 3.053 89 HB3 GLU 11 HB1 GLU 11 79.405 9.141 3.584 90 HG2 GLU 11 HG2 GLU 11 80.941 11.048 3.233 91 HG3 GLU 11 HG1 GLU 11 79.581 12.039 2.704 92 H ASN 12 HN ASN 12 81.255 11.113 0.600 93 HA ASN 12 HA ASN 12 83.237 9.355 -0.200 94 HB2 ASN 12 HB2 ASN 12 84.794 11.195 0.003 95 HB3 ASN 12 HB1 ASN 12 83.252 11.795 -0.612 96 HD21 ASN 12 HD21 ASN 12 85.480 13.071 1.070 97 HD22 ASN 12 HD22 ASN 12 84.668 13.741 2.402 98 H VAL 13 HN VAL 13 85.154 8.587 0.777 99 HA VAL 13 HA VAL 13 85.298 8.738 3.725 100 HB VAL 13 HB VAL 13 85.500 6.044 2.360 101 HG11 VAL 13 HG11 VAL 13 86.459 6.148 4.601 102 HG12 VAL 13 HG12 VAL 13 84.917 5.302 4.694 103 HG13 VAL 13 HG13 VAL 13 85.026 6.976 5.209 104 HG21 VAL 13 HG21 VAL 13 83.062 7.297 3.643 105 HG22 VAL 13 HG22 VAL 13 83.203 5.616 3.131 106 HG23 VAL 13 HG23 VAL 13 83.252 6.908 1.933 107 H GLU 14 HN GLU 14 87.336 8.750 4.509 108 HA GLU 14 HA GLU 14 89.564 8.070 2.706 109 HB2 GLU 14 HB2 GLU 14 90.822 10.042 3.612 110 HB3 GLU 14 HB1 GLU 14 89.442 10.469 2.607 111 HG2 GLU 14 HG2 GLU 14 89.288 10.354 5.634 112 HG3 GLU 14 HG1 GLU 14 89.656 11.822 4.729 113 H ALA 15 HN ALA 15 91.080 6.839 3.602 114 HA ALA 15 HA ALA 15 91.589 6.808 6.449 115 HB1 ALA 15 HB1 ALA 15 89.617 5.361 6.407 116 HB2 ALA 15 HB2 ALA 15 91.054 4.372 6.678 117 HB3 ALA 15 HB3 ALA 15 90.306 4.423 5.082 118 H LEU 16 HN LEU 16 93.441 5.530 6.987 119 HA LEU 16 HA LEU 16 95.318 5.267 4.797 120 HB2 LEU 16 HB2 LEU 16 95.471 4.978 7.793 121 HB3 LEU 16 HB1 LEU 16 96.801 4.442 6.767 122 HG LEU 16 HG LEU 16 97.005 6.653 5.792 123 HD11 LEU 16 HD11 LEU 16 94.543 7.232 7.453 124 HD12 LEU 16 HD12 LEU 16 94.814 7.560 5.740 125 HD13 LEU 16 HD13 LEU 16 95.640 8.524 6.961 126 HD21 LEU 16 HD21 LEU 16 98.072 7.642 7.604 127 HD22 LEU 16 HD22 LEU 16 97.958 5.974 8.158 128 HD23 LEU 16 HD23 LEU 16 96.815 7.185 8.747 129 H GLU 17 HN GLU 17 96.569 3.277 4.494 130 HA GLU 17 HA GLU 17 95.149 1.076 3.794 131 HB2 GLU 17 HB2 GLU 17 97.209 -0.224 3.986 132 HB3 GLU 17 HB1 GLU 17 97.536 1.369 3.318 133 HG2 GLU 17 HG2 GLU 17 98.257 2.169 5.546 134 HG3 GLU 17 HG1 GLU 17 97.949 0.566 6.216 135 H GLY 18 HN GLY 18 94.756 -0.973 4.733 136 HA2 GLY 18 HA2 GLY 18 93.982 -2.380 6.377 137 HA3 GLY 18 HA1 GLY 18 95.215 -1.653 7.412 138 H GLY 19 HN GLY 19 93.005 0.532 6.003 139 HA2 GLY 19 HA2 GLY 19 91.878 1.154 8.604 140 HA3 GLY 19 HA1 GLY 19 91.689 2.066 7.112 141 H GLU 20 HN GLU 20 89.472 1.933 8.402 142 HA GLU 20 HA GLU 20 87.838 -0.196 7.134 143 HB2 GLU 20 HB2 GLU 20 88.010 -0.500 9.607 144 HB3 GLU 20 HB1 GLU 20 87.364 1.128 9.830 145 HG2 GLU 20 HG2 GLU 20 85.288 0.480 8.654 146 HG3 GLU 20 HG1 GLU 20 85.930 -1.138 8.388 147 H ALA 21 HN ALA 21 85.649 0.500 6.546 148 HA ALA 21 HA ALA 21 85.243 3.435 6.409 149 HB1 ALA 21 HB1 ALA 21 85.117 1.507 4.088 150 HB2 ALA 21 HB2 ALA 21 86.210 2.878 4.273 151 HB3 ALA 21 HB3 ALA 21 84.482 3.149 4.035 152 H LEU 22 HN LEU 22 83.200 4.062 6.638 153 HA LEU 22 HA LEU 22 81.067 2.013 6.674 154 HB2 LEU 22 HB2 LEU 22 81.499 4.301 8.631 155 HB3 LEU 22 HB1 LEU 22 80.084 3.255 8.611 156 HG LEU 22 HG LEU 22 82.894 2.161 8.861 157 HD11 LEU 22 HD11 LEU 22 82.458 1.997 11.303 158 HD12 LEU 22 HD12 LEU 22 80.959 2.902 11.096 159 HD13 LEU 22 HD13 LEU 22 82.511 3.677 10.773 160 HD21 LEU 22 HD21 LEU 22 80.099 1.067 9.256 161 HD22 LEU 22 HD22 LEU 22 81.482 0.325 10.054 162 HD23 LEU 22 HD23 LEU 22 81.424 0.404 8.301 163 H PHE 23 HN PHE 23 79.511 2.496 5.211 164 HA PHE 23 HA PHE 23 79.175 5.323 4.379 165 HB2 PHE 23 HB2 PHE 23 78.608 2.689 2.986 166 HB3 PHE 23 HB1 PHE 23 77.925 4.215 2.429 167 HD1 PHE 23 HD1 PHE 23 81.093 2.364 2.995 168 HD2 PHE 23 HD2 PHE 23 79.239 5.849 1.333 169 HE1 PHE 23 HE1 PHE 23 83.178 2.885 1.754 170 HE2 PHE 23 HE2 PHE 23 81.326 6.388 0.105 171 HZ PHE 23 HZ PHE 23 83.299 4.910 0.331 172 H GLU 24 HN GLU 24 77.666 6.159 5.684 173 HA GLU 24 HA GLU 24 75.230 4.614 6.268 174 HB2 GLU 24 HB2 GLU 24 76.362 7.170 7.441 175 HB3 GLU 24 HB1 GLU 24 74.752 6.554 7.822 176 HG2 GLU 24 HG2 GLU 24 75.675 4.495 8.688 177 HG3 GLU 24 HG1 GLU 24 77.307 4.964 8.202 178 H CYS 25 HN CYS 25 73.668 4.836 4.806 179 HA CYS 25 HA CYS 25 73.171 7.511 3.627 180 HB2 CYS 25 HB2 CYS 25 71.912 5.951 1.871 181 HB3 CYS 25 HB1 CYS 25 73.650 6.210 1.762 182 HG CYS 25 HG CYS 25 73.041 3.609 1.701 183 H GLN 26 HN GLN 26 71.097 8.312 3.655 184 HA GLN 26 HA GLN 26 69.185 6.870 5.411 185 HB2 GLN 26 HB2 GLN 26 69.510 9.806 4.763 186 HB3 GLN 26 HB1 GLN 26 68.145 9.145 5.662 187 HG2 GLN 26 HG2 GLN 26 69.631 8.296 7.390 188 HG3 GLN 26 HG1 GLN 26 71.048 8.815 6.472 189 HE21 GLN 26 HE21 GLN 26 69.153 9.762 9.028 190 HE22 GLN 26 HE22 GLN 26 69.352 11.445 8.918 191 H LEU 27 HN LEU 27 67.466 6.034 4.538 192 HA LEU 27 HA LEU 27 66.520 7.006 1.891 193 HB2 LEU 27 HB2 LEU 27 67.687 4.757 1.965 194 HB3 LEU 27 HB1 LEU 27 66.361 4.202 2.973 195 HG LEU 27 HG LEU 27 65.153 5.484 0.703 196 HD11 LEU 27 HD11 LEU 27 66.112 4.139 -1.144 197 HD12 LEU 27 HD12 LEU 27 67.336 3.516 -0.045 198 HD13 LEU 27 HD13 LEU 27 67.320 5.228 -0.454 199 HD21 LEU 27 HD21 LEU 27 64.392 3.140 0.207 200 HD22 LEU 27 HD22 LEU 27 64.140 3.601 1.892 201 HD23 LEU 27 HD23 LEU 27 65.487 2.550 1.454 202 H SER 28 HN SER 28 64.398 7.545 1.761 203 HA SER 28 HA SER 28 62.682 7.005 4.122 204 HB2 SER 28 HB2 SER 28 62.120 9.009 1.937 205 HB3 SER 28 HB1 SER 28 61.536 9.009 3.604 206 HG SER 28 HG SER 28 63.216 10.186 4.000 207 H GLN 29 HN GLN 29 62.114 4.913 3.488 208 HA GLN 29 HA GLN 29 59.780 4.711 1.887 209 HB2 GLN 29 HB2 GLN 29 61.669 4.815 0.170 210 HB3 GLN 29 HB1 GLN 29 62.162 3.238 0.776 211 HG2 GLN 29 HG2 GLN 29 59.641 2.598 0.389 212 HG3 GLN 29 HG1 GLN 29 59.649 3.999 -0.680 213 HE21 GLN 29 HE21 GLN 29 62.614 3.463 -1.350 214 HE22 GLN 29 HE22 GLN 29 62.547 2.172 -2.450 215 HA PRO 30 HA PRO 30 60.492 1.376 5.012 216 HB2 PRO 30 HB2 PRO 30 57.702 1.592 5.801 217 HB3 PRO 30 HB1 PRO 30 59.134 2.001 6.756 218 HG2 PRO 30 HG2 PRO 30 57.270 3.804 5.702 219 HG3 PRO 30 HG1 PRO 30 58.861 4.219 6.357 220 HD2 PRO 30 HD2 PRO 30 57.981 4.093 3.518 221 HD3 PRO 30 HD1 PRO 30 59.356 4.965 4.234 222 H GLU 31 HN GLU 31 60.146 1.009 2.295 223 HA GLU 31 HA GLU 31 58.596 -1.450 2.160 224 HB2 GLU 31 HB2 GLU 31 57.037 0.376 1.369 225 HB3 GLU 31 HB1 GLU 31 58.214 0.769 0.116 226 HG2 GLU 31 HG2 GLU 31 58.038 -1.513 -0.780 227 HG3 GLU 31 HG1 GLU 31 56.894 -1.932 0.490 228 H VAL 32 HN VAL 32 59.435 -2.844 0.512 229 HA VAL 32 HA VAL 32 61.830 -1.848 -0.913 230 HB VAL 32 HB VAL 32 63.097 -3.725 -0.331 231 HG11 VAL 32 HG11 VAL 32 61.385 -3.181 2.091 232 HG12 VAL 32 HG12 VAL 32 62.708 -2.157 1.525 233 HG13 VAL 32 HG13 VAL 32 63.037 -3.798 2.087 234 HG21 VAL 32 HG21 VAL 32 60.460 -5.016 0.430 235 HG22 VAL 32 HG22 VAL 32 62.001 -5.672 0.980 236 HG23 VAL 32 HG23 VAL 32 61.648 -5.593 -0.745 237 H ALA 33 HN ALA 33 61.434 -1.890 -2.985 238 HA ALA 33 HA ALA 33 59.674 -4.007 -4.079 239 HB1 ALA 33 HB1 ALA 33 59.301 -2.422 -5.949 240 HB2 ALA 33 HB2 ALA 33 60.289 -1.228 -5.109 241 HB3 ALA 33 HB3 ALA 33 58.763 -1.764 -4.404 242 H ALA 34 HN ALA 34 62.639 -2.145 -4.549 243 HA ALA 34 HA ALA 34 63.987 -4.333 -5.766 244 HB1 ALA 34 HB1 ALA 34 62.787 -3.818 -7.774 245 HB2 ALA 34 HB2 ALA 34 64.404 -3.137 -7.978 246 HB3 ALA 34 HB3 ALA 34 63.049 -2.089 -7.559 247 H HIS 35 HN HIS 35 66.035 -4.139 -5.252 248 HA HIS 35 HA HIS 35 67.348 -1.540 -5.230 249 HB2 HIS 35 HB2 HIS 35 68.164 -1.932 -2.854 250 HB3 HIS 35 HB1 HIS 35 66.474 -1.452 -3.024 251 HD1 HIS 35 HD1 HIS 35 64.684 -3.417 -2.910 252 HD2 HIS 35 HD2 HIS 35 68.516 -4.405 -1.638 253 HE1 HIS 35 HE1 HIS 35 64.447 -5.513 -1.500 254 H THR 36 HN THR 36 69.454 -1.694 -5.697 255 HA THR 36 HA THR 36 70.744 -4.363 -5.546 256 HB THR 36 HB THR 36 70.788 -2.405 -7.857 257 HG1 THR 36 HG1 THR 36 69.901 -5.076 -7.911 258 HG21 THR 36 HG21 THR 36 71.916 -4.488 -8.953 259 HG22 THR 36 HG22 THR 36 72.299 -4.948 -7.295 260 HG23 THR 36 HG23 THR 36 72.908 -3.426 -7.950 261 H TRP 37 HN TRP 37 72.807 -4.344 -4.771 262 HA TRP 37 HA TRP 37 74.133 -1.697 -4.362 263 HB2 TRP 37 HB2 TRP 37 73.945 -4.157 -2.661 264 HB3 TRP 37 HB1 TRP 37 75.470 -3.277 -2.618 265 HD1 TRP 37 HD1 TRP 37 71.734 -2.831 -1.982 266 HE1 TRP 37 HE1 TRP 37 71.399 -0.855 -0.360 267 HE3 TRP 37 HE3 TRP 37 76.544 -1.125 -1.669 268 HZ2 TRP 37 HZ2 TRP 37 72.951 1.171 0.884 269 HZ3 TRP 37 HZ3 TRP 37 77.082 0.838 -0.258 270 HH2 TRP 37 HH2 TRP 37 75.295 1.997 1.011 271 H LEU 38 HN LEU 38 75.886 -1.377 -5.639 272 HA LEU 38 HA LEU 38 77.683 -3.631 -6.176 273 HB2 LEU 38 HB2 LEU 38 76.265 -2.073 -8.340 274 HB3 LEU 38 HB1 LEU 38 77.744 -2.975 -8.651 275 HG LEU 38 HG LEU 38 75.171 -4.154 -7.549 276 HD11 LEU 38 HD11 LEU 38 76.476 -4.387 -10.273 277 HD12 LEU 38 HD12 LEU 38 75.037 -3.431 -9.914 278 HD13 LEU 38 HD13 LEU 38 74.992 -5.189 -9.771 279 HD21 LEU 38 HD21 LEU 38 76.757 -5.682 -6.776 280 HD22 LEU 38 HD22 LEU 38 77.938 -5.234 -8.000 281 HD23 LEU 38 HD23 LEU 38 76.589 -6.286 -8.421 282 H LEU 39 HN LEU 39 79.568 -2.979 -5.594 283 HA LEU 39 HA LEU 39 80.465 -0.193 -6.123 284 HB2 LEU 39 HB2 LEU 39 82.391 -1.331 -4.468 285 HB3 LEU 39 HB1 LEU 39 81.065 -0.349 -3.907 286 HG LEU 39 HG LEU 39 79.717 -2.549 -3.783 287 HD11 LEU 39 HD11 LEU 39 81.212 -4.023 -5.035 288 HD12 LEU 39 HD12 LEU 39 81.225 -4.548 -3.352 289 HD13 LEU 39 HD13 LEU 39 82.565 -3.605 -3.979 290 HD21 LEU 39 HD21 LEU 39 80.398 -1.396 -1.793 291 HD22 LEU 39 HD22 LEU 39 82.061 -1.960 -1.977 292 HD23 LEU 39 HD23 LEU 39 80.774 -3.101 -1.589 293 H ASP 40 HN ASP 40 82.768 -2.652 -5.460 294 HA ASP 40 HA ASP 40 83.979 -2.448 -8.003 295 HB2 ASP 40 HB2 ASP 40 85.336 -4.396 -7.270 296 HB3 ASP 40 HB1 ASP 40 85.253 -3.203 -5.978 297 H ASP 41 HN ASP 41 84.080 -4.517 -9.421 298 HA ASP 41 HA ASP 41 81.426 -5.122 -10.156 299 HB2 ASP 41 HB2 ASP 41 83.350 -5.121 -11.728 300 HB3 ASP 41 HB1 ASP 41 83.912 -6.621 -10.992 301 H GLU 42 HN GLU 42 81.730 -5.948 -7.370 302 HA GLU 42 HA GLU 42 81.052 -8.804 -7.729 303 HB2 GLU 42 HB2 GLU 42 82.913 -7.660 -5.628 304 HB3 GLU 42 HB1 GLU 42 82.142 -9.233 -5.467 305 HG2 GLU 42 HG2 GLU 42 83.122 -9.788 -7.778 306 HG3 GLU 42 HG1 GLU 42 84.114 -8.342 -7.580 307 HA PRO 43 HA PRO 43 77.399 -7.583 -5.511 308 HB2 PRO 43 HB2 PRO 43 77.118 -10.106 -4.099 309 HB3 PRO 43 HB1 PRO 43 76.187 -9.514 -5.481 310 HG2 PRO 43 HG2 PRO 43 78.225 -11.543 -5.441 311 HG3 PRO 43 HG1 PRO 43 77.232 -11.004 -6.806 312 HD2 PRO 43 HD2 PRO 43 80.030 -10.510 -6.423 313 HD3 PRO 43 HD1 PRO 43 78.991 -9.841 -7.693 314 H VAL 44 HN VAL 44 77.021 -6.636 -3.499 315 HA VAL 44 HA VAL 44 79.257 -6.741 -1.642 316 HB VAL 44 HB VAL 44 76.733 -5.155 -1.217 317 HG11 VAL 44 HG11 VAL 44 78.433 -3.526 -0.338 318 HG12 VAL 44 HG12 VAL 44 79.655 -4.778 -0.554 319 HG13 VAL 44 HG13 VAL 44 78.325 -5.033 0.566 320 HG21 VAL 44 HG21 VAL 44 78.944 -4.643 -3.204 321 HG22 VAL 44 HG22 VAL 44 77.916 -3.348 -2.584 322 HG23 VAL 44 HG23 VAL 44 77.212 -4.684 -3.490 323 H ARG 45 HN ARG 45 79.018 -8.873 -0.896 324 HA ARG 45 HA ARG 45 77.293 -9.059 1.433 325 HB2 ARG 45 HB2 ARG 45 75.915 -10.040 -0.399 326 HB3 ARG 45 HB1 ARG 45 77.210 -11.195 -0.718 327 HG2 ARG 45 HG2 ARG 45 76.942 -12.258 1.401 328 HG3 ARG 45 HG1 ARG 45 76.000 -10.912 2.042 329 HD2 ARG 45 HD2 ARG 45 74.542 -12.806 1.486 330 HD3 ARG 45 HD1 ARG 45 74.189 -11.399 0.493 331 HE ARG 45 HE ARG 45 76.052 -13.180 -0.795 332 HH11 ARG 45 HH11 ARG 45 72.846 -13.478 0.351 333 HH12 ARG 45 HH12 ARG 45 72.189 -14.017 -1.158 334 HH21 ARG 45 HH21 ARG 45 75.122 -13.523 -2.926 335 HH22 ARG 45 HH22 ARG 45 73.473 -14.051 -3.003 336 H THR 46 HN THR 46 78.922 -11.588 -0.363 337 HA THR 46 HA THR 46 80.746 -12.891 0.120 338 HB THR 46 HB THR 46 82.744 -11.724 0.573 339 HG1 THR 46 HG1 THR 46 82.836 -10.284 2.132 340 HG21 THR 46 HG21 THR 46 80.934 -9.512 -0.361 341 HG22 THR 46 HG22 THR 46 81.334 -10.888 -1.390 342 HG23 THR 46 HG23 THR 46 82.610 -9.811 -0.814 343 H SER 47 HN SER 47 82.210 -11.659 2.779 344 HA SER 47 HA SER 47 80.627 -13.257 4.716 345 HB2 SER 47 HB2 SER 47 82.590 -14.522 3.707 346 HB3 SER 47 HB1 SER 47 83.637 -13.383 4.549 347 HG SER 47 HG SER 47 82.083 -14.033 6.392 348 H GLU 48 HN GLU 48 82.925 -12.966 6.619 349 HA GLU 48 HA GLU 48 81.962 -10.711 7.997 350 HB2 GLU 48 HB2 GLU 48 83.063 -12.601 9.106 351 HB3 GLU 48 HB1 GLU 48 84.599 -12.159 8.368 352 HG2 GLU 48 HG2 GLU 48 84.573 -10.014 9.563 353 HG3 GLU 48 HG1 GLU 48 82.995 -10.406 10.250 354 H ASN 49 HN ASN 49 84.948 -11.023 6.052 355 HA ASN 49 HA ASN 49 85.958 -8.459 6.654 356 HB2 ASN 49 HB2 ASN 49 86.334 -10.098 4.154 357 HB3 ASN 49 HB1 ASN 49 87.325 -8.729 4.644 358 HD21 ASN 49 HD21 ASN 49 87.585 -11.909 4.512 359 HD22 ASN 49 HD22 ASN 49 88.466 -12.228 5.924 360 H ALA 50 HN ALA 50 83.079 -9.023 5.239 361 HA ALA 50 HA ALA 50 82.617 -6.383 4.385 362 HB1 ALA 50 HB1 ALA 50 84.026 -6.768 2.463 363 HB2 ALA 50 HB2 ALA 50 82.358 -6.884 1.904 364 HB3 ALA 50 HB3 ALA 50 83.296 -8.348 2.182 365 H GLU 51 HN GLU 51 80.401 -6.124 4.347 366 HA GLU 51 HA GLU 51 78.546 -7.947 3.267 367 HB2 GLU 51 HB2 GLU 51 79.261 -9.405 5.196 368 HB3 GLU 51 HB1 GLU 51 78.752 -8.131 6.298 369 HG2 GLU 51 HG2 GLU 51 76.453 -8.293 5.471 370 HG3 GLU 51 HG1 GLU 51 76.942 -9.518 4.300 371 H VAL 52 HN VAL 52 76.351 -7.044 3.327 372 HA VAL 52 HA VAL 52 76.268 -4.321 4.471 373 HB VAL 52 HB VAL 52 74.101 -5.529 2.744 374 HG11 VAL 52 HG11 VAL 52 75.198 -2.720 3.061 375 HG12 VAL 52 HG12 VAL 52 73.739 -3.338 3.840 376 HG13 VAL 52 HG13 VAL 52 73.808 -3.185 2.082 377 HG21 VAL 52 HG21 VAL 52 76.479 -4.038 1.602 378 HG22 VAL 52 HG22 VAL 52 75.233 -4.949 0.746 379 HG23 VAL 52 HG23 VAL 52 76.449 -5.791 1.693 380 H VAL 53 HN VAL 53 74.570 -3.604 5.770 381 HA VAL 53 HA VAL 53 72.718 -5.605 6.885 382 HB VAL 53 HB VAL 53 73.163 -4.739 9.169 383 HG11 VAL 53 HG11 VAL 53 74.243 -6.804 8.470 384 HG12 VAL 53 HG12 VAL 53 75.356 -5.879 9.475 385 HG13 VAL 53 HG13 VAL 53 75.564 -5.903 7.723 386 HG21 VAL 53 HG21 VAL 53 75.269 -3.424 9.512 387 HG22 VAL 53 HG22 VAL 53 74.060 -2.539 8.583 388 HG23 VAL 53 HG23 VAL 53 75.433 -3.285 7.763 389 H PHE 54 HN PHE 54 70.708 -4.680 7.421 390 HA PHE 54 HA PHE 54 70.497 -1.741 7.258 391 HB2 PHE 54 HB2 PHE 54 68.691 -1.777 5.727 392 HB3 PHE 54 HB1 PHE 54 69.931 -2.810 5.023 393 HD1 PHE 54 HD1 PHE 54 66.678 -2.809 6.849 394 HD2 PHE 54 HD2 PHE 54 69.594 -5.158 4.751 395 HE1 PHE 54 HE1 PHE 54 65.085 -4.722 6.772 396 HE2 PHE 54 HE2 PHE 54 68.012 -7.063 4.675 397 HZ PHE 54 HZ PHE 54 65.742 -6.845 5.658 398 H PHE 55 HN PHE 55 69.247 -0.858 8.708 399 HA PHE 55 HA PHE 55 67.530 -2.645 10.347 400 HB2 PHE 55 HB2 PHE 55 68.831 -0.086 11.276 401 HB3 PHE 55 HB1 PHE 55 68.052 -1.329 12.252 402 HD1 PHE 55 HD1 PHE 55 69.082 -3.720 12.214 403 HD2 PHE 55 HD2 PHE 55 71.133 -0.197 10.828 404 HE1 PHE 55 HE1 PHE 55 71.264 -4.884 12.456 405 HE2 PHE 55 HE2 PHE 55 73.295 -1.359 11.087 406 HZ PHE 55 HZ PHE 55 73.372 -3.692 11.896 407 H GLU 56 HN GLU 56 65.909 -1.265 11.632 408 HA GLU 56 HA GLU 56 64.001 -0.072 11.646 409 HB2 GLU 56 HB2 GLU 56 65.643 1.719 9.858 410 HB3 GLU 56 HB1 GLU 56 64.016 2.123 10.412 411 HG2 GLU 56 HG2 GLU 56 64.723 1.951 12.742 412 HG3 GLU 56 HG1 GLU 56 66.315 1.386 12.240 413 H ASN 57 HN ASN 57 64.327 -2.237 9.749 414 HA ASN 57 HA ASN 57 63.041 -3.276 8.121 415 HB2 ASN 57 HB2 ASN 57 61.174 -2.155 9.422 416 HB3 ASN 57 HB1 ASN 57 61.205 -0.872 8.212 417 HD21 ASN 57 HD21 ASN 57 59.083 -1.457 7.303 418 HD22 ASN 57 HD22 ASN 57 58.862 -2.902 6.440 419 H GLY 58 HN GLY 58 65.256 -1.764 7.260 420 HA2 GLY 58 HA2 GLY 58 66.126 -1.320 5.142 421 HA3 GLY 58 HA1 GLY 58 64.501 -1.415 4.485 422 H LEU 59 HN LEU 59 64.887 0.743 7.169 423 HA LEU 59 HA LEU 59 64.423 3.011 5.377 424 HB2 LEU 59 HB2 LEU 59 63.257 2.591 7.666 425 HB3 LEU 59 HB1 LEU 59 64.736 3.234 8.364 426 HG LEU 59 HG LEU 59 64.433 5.248 6.815 427 HD11 LEU 59 HD11 LEU 59 62.861 4.716 5.204 428 HD12 LEU 59 HD12 LEU 59 61.827 5.531 6.369 429 HD13 LEU 59 HD13 LEU 59 61.865 3.771 6.306 430 HD21 LEU 59 HD21 LEU 59 63.980 5.297 9.242 431 HD22 LEU 59 HD22 LEU 59 62.338 4.724 8.949 432 HD23 LEU 59 HD23 LEU 59 62.833 6.309 8.362 433 H ARG 60 HN ARG 60 67.058 1.450 6.741 434 HA ARG 60 HA ARG 60 68.871 3.637 5.984 435 HB2 ARG 60 HB2 ARG 60 68.372 3.748 8.485 436 HB3 ARG 60 HB1 ARG 60 69.210 2.203 8.616 437 HG2 ARG 60 HG2 ARG 60 71.235 3.190 7.671 438 HG3 ARG 60 HG1 ARG 60 70.390 4.717 7.422 439 HD2 ARG 60 HD2 ARG 60 70.737 3.438 10.148 440 HD3 ARG 60 HD1 ARG 60 71.831 4.659 9.503 441 HE ARG 60 HE ARG 60 69.244 5.700 9.308 442 HH11 ARG 60 HH21 ARG 60 69.235 4.076 11.933 443 HH12 ARG 60 HH22 ARG 60 69.571 5.341 13.066 444 HH21 ARG 60 HH11 ARG 60 70.704 7.548 10.666 445 HH22 ARG 60 HH12 ARG 60 70.443 7.294 12.359 446 H HIS 61 HN HIS 61 71.016 2.937 5.549 447 HA HIS 61 HA HIS 61 71.463 0.032 5.505 448 HB2 HIS 61 HB2 HIS 61 71.500 1.840 3.079 449 HB3 HIS 61 HB1 HIS 61 72.324 0.285 3.122 450 HD1 HIS 61 HD1 HIS 61 68.859 1.783 3.335 451 HD2 HIS 61 HD2 HIS 61 70.654 -1.959 2.951 452 HE1 HIS 61 HE1 HIS 61 67.000 0.150 2.816 453 H LEU 62 HN LEU 62 73.409 -0.441 6.193 454 HA LEU 62 HA LEU 62 75.627 1.521 6.028 455 HB2 LEU 62 HB2 LEU 62 75.056 -0.452 8.252 456 HB3 LEU 62 HB1 LEU 62 76.451 0.615 8.152 457 HG LEU 62 HG LEU 62 74.588 2.515 7.936 458 HD11 LEU 62 HD11 LEU 62 72.634 1.927 9.418 459 HD12 LEU 62 HD12 LEU 62 73.166 0.254 9.369 460 HD13 LEU 62 HD13 LEU 62 72.629 1.044 7.892 461 HD21 LEU 62 HD21 LEU 62 76.193 2.480 9.750 462 HD22 LEU 62 HD22 LEU 62 75.384 1.107 10.509 463 HD23 LEU 62 HD23 LEU 62 74.591 2.684 10.462 464 H LEU 63 HN LEU 63 77.445 0.795 5.149 465 HA LEU 63 HA LEU 63 77.753 -2.121 4.652 466 HB2 LEU 63 HB2 LEU 63 77.393 -1.061 2.557 467 HB3 LEU 63 HB1 LEU 63 78.416 0.308 2.995 468 HG LEU 63 HG LEU 63 80.414 -1.061 2.888 469 HD11 LEU 63 HD11 LEU 63 79.894 -3.188 3.706 470 HD12 LEU 63 HD12 LEU 63 80.026 -3.527 1.986 471 HD13 LEU 63 HD13 LEU 63 78.436 -3.339 2.732 472 HD21 LEU 63 HD21 LEU 63 78.522 -1.263 0.549 473 HD22 LEU 63 HD22 LEU 63 80.141 -1.957 0.463 474 HD23 LEU 63 HD23 LEU 63 79.938 -0.233 0.757 475 H LEU 64 HN LEU 64 79.385 -2.998 5.906 476 HA LEU 64 HA LEU 64 81.623 -1.250 6.703 477 HB2 LEU 64 HB2 LEU 64 80.154 -2.513 8.391 478 HB3 LEU 64 HB1 LEU 64 80.878 -3.983 7.758 479 HG LEU 64 HG LEU 64 82.653 -1.725 8.712 480 HD11 LEU 64 HD11 LEU 64 81.230 -2.052 10.603 481 HD12 LEU 64 HD12 LEU 64 82.692 -2.973 10.944 482 HD13 LEU 64 HD13 LEU 64 81.233 -3.801 10.400 483 HD21 LEU 64 HD21 LEU 64 84.082 -3.758 9.340 484 HD22 LEU 64 HD22 LEU 64 83.862 -3.478 7.619 485 HD23 LEU 64 HD23 LEU 64 82.927 -4.727 8.434 486 H LEU 65 HN LEU 65 83.535 -1.529 5.736 487 HA LEU 65 HA LEU 65 84.260 -4.148 4.527 488 HB2 LEU 65 HB2 LEU 65 84.827 -1.365 3.422 489 HB3 LEU 65 HB1 LEU 65 85.425 -2.872 2.736 490 HG LEU 65 HG LEU 65 82.489 -2.215 3.075 491 HD11 LEU 65 HD11 LEU 65 83.396 -0.668 1.455 492 HD12 LEU 65 HD12 LEU 65 82.566 -1.936 0.558 493 HD13 LEU 65 HD13 LEU 65 84.325 -1.944 0.667 494 HD21 LEU 65 HD21 LEU 65 82.448 -4.090 1.239 495 HD22 LEU 65 HD22 LEU 65 82.641 -4.556 2.921 496 HD23 LEU 65 HD23 LEU 65 84.048 -4.506 1.858 497 H LYS 66 HN LYS 66 86.144 -4.915 5.621 498 HA LYS 66 HA LYS 66 87.732 -2.906 7.070 499 HB2 LYS 66 HB2 LYS 66 87.779 -5.941 7.137 500 HB3 LYS 66 HB1 LYS 66 88.673 -4.879 8.221 501 HG2 LYS 66 HG2 LYS 66 86.599 -3.937 9.081 502 HG3 LYS 66 HG1 LYS 66 85.649 -4.917 7.962 503 HD2 LYS 66 HD2 LYS 66 86.620 -6.971 9.021 504 HD3 LYS 66 HD1 LYS 66 87.446 -5.931 10.184 505 HE2 LYS 66 HE2 LYS 66 85.246 -5.024 10.925 506 HE3 LYS 66 HE1 LYS 66 84.434 -6.101 9.789 507 HZ1 LYS 66 HZ1 LYS 66 84.992 -7.950 10.995 508 HZ2 LYS 66 HZ2 LYS 66 84.743 -6.820 12.243 509 HZ3 LYS 66 HZ3 LYS 66 86.321 -7.213 11.744 510 H ASN 67 HN ASN 67 90.099 -4.268 7.308 511 HA ASN 67 HA ASN 67 92.212 -4.028 6.287 512 HB2 ASN 67 HB2 ASN 67 90.707 -6.176 4.815 513 HB3 ASN 67 HB1 ASN 67 92.427 -5.893 4.561 514 HD21 ASN 67 HD21 ASN 67 93.030 -5.174 7.338 515 HD22 ASN 67 HD22 ASN 67 92.899 -6.597 8.249 516 H LEU 68 HN LEU 68 90.698 -1.907 5.319 517 HA LEU 68 HA LEU 68 90.577 -1.866 2.473 518 HB2 LEU 68 HB2 LEU 68 90.720 0.415 4.457 519 HB3 LEU 68 HB1 LEU 68 90.311 0.584 2.751 520 HG LEU 68 HG LEU 68 88.799 -1.143 4.720 521 HD11 LEU 68 HD11 LEU 68 88.657 1.365 5.101 522 HD12 LEU 68 HD12 LEU 68 87.124 0.578 4.749 523 HD13 LEU 68 HD13 LEU 68 87.942 1.497 3.493 524 HD21 LEU 68 HD21 LEU 68 88.311 -2.110 2.634 525 HD22 LEU 68 HD22 LEU 68 88.505 -0.583 1.770 526 HD23 LEU 68 HD23 LEU 68 87.058 -0.873 2.733 527 H ARG 69 HN ARG 69 92.294 -2.105 1.203 528 HA ARG 69 HA ARG 69 94.850 -0.805 1.919 529 HB2 ARG 69 HB2 ARG 69 94.704 -2.624 -0.442 530 HB3 ARG 69 HB1 ARG 69 95.918 -2.535 0.835 531 HG2 ARG 69 HG2 ARG 69 94.317 -3.616 2.401 532 HG3 ARG 69 HG1 ARG 69 93.164 -3.772 1.076 533 HD2 ARG 69 HD2 ARG 69 94.755 -5.157 -0.167 534 HD3 ARG 69 HD1 ARG 69 95.939 -4.983 1.125 535 HE ARG 69 HE ARG 69 94.740 -6.531 2.380 536 HH11 ARG 69 HH11 ARG 69 92.861 -5.412 -0.294 537 HH12 ARG 69 HH12 ARG 69 91.638 -6.627 -0.127 538 HH21 ARG 69 HH21 ARG 69 93.167 -8.123 2.615 539 HH22 ARG 69 HH22 ARG 69 91.806 -8.171 1.546 540 HA PRO 70 HA PRO 70 94.512 2.011 -1.436 541 HB2 PRO 70 HB2 PRO 70 96.700 1.273 -3.185 542 HB3 PRO 70 HB1 PRO 70 96.660 2.571 -1.983 543 HG2 PRO 70 HG2 PRO 70 98.172 0.221 -1.812 544 HG3 PRO 70 HG1 PRO 70 97.848 1.355 -0.495 545 HD2 PRO 70 HD2 PRO 70 96.634 -1.308 -1.008 546 HD3 PRO 70 HD1 PRO 70 96.780 -0.420 0.528 547 H GLN 71 HN GLN 71 95.055 -1.259 -2.570 548 HA GLN 71 HA GLN 71 94.089 -1.052 -5.180 549 HB2 GLN 71 HB2 GLN 71 95.151 -3.107 -4.343 550 HB3 GLN 71 HB1 GLN 71 93.765 -3.405 -3.293 551 HG2 GLN 71 HG2 GLN 71 92.288 -3.625 -5.234 552 HG3 GLN 71 HG1 GLN 71 93.603 -3.180 -6.318 553 HE21 GLN 71 HE21 GLN 71 94.360 -5.010 -7.373 554 HE22 GLN 71 HE22 GLN 71 94.536 -6.542 -6.665 555 H ASP 72 HN ASP 72 92.227 -2.060 -2.274 556 HA ASP 72 HA ASP 72 89.757 -2.314 -3.369 557 HB2 ASP 72 HB2 ASP 72 90.555 -1.173 -0.701 558 HB3 ASP 72 HB1 ASP 72 88.882 -1.503 -1.134 559 H SER 73 HN SER 73 91.270 0.904 -2.468 560 HA SER 73 HA SER 73 89.176 2.573 -2.646 561 HB2 SER 73 HB2 SER 73 91.443 3.376 -2.371 562 HB3 SER 73 HB1 SER 73 91.855 2.875 -4.007 563 HG SER 73 HG SER 73 90.424 4.421 -4.790 564 H CYS 74 HN CYS 74 87.484 2.555 -3.977 565 HA CYS 74 HA CYS 74 87.888 2.731 -6.848 566 HB2 CYS 74 HB2 CYS 74 87.799 0.236 -6.126 567 HB3 CYS 74 HB1 CYS 74 86.070 0.523 -5.937 568 HG CYS 74 HG CYS 74 86.018 1.276 -8.476 569 H ARG 75 HN ARG 75 85.206 1.958 -7.489 570 HA ARG 75 HA ARG 75 83.800 4.413 -6.696 571 HB2 ARG 75 HB2 ARG 75 83.962 3.945 -9.080 572 HB3 ARG 75 HB1 ARG 75 83.265 2.346 -8.837 573 HG2 ARG 75 HG2 ARG 75 81.165 3.391 -8.028 574 HG3 ARG 75 HG1 ARG 75 81.872 4.986 -8.315 575 HD2 ARG 75 HD2 ARG 75 81.439 2.842 -10.418 576 HD3 ARG 75 HD1 ARG 75 80.431 4.274 -10.193 577 HE ARG 75 HE ARG 75 83.098 4.205 -11.365 578 HH11 ARG 75 HH21 ARG 75 80.534 5.818 -12.156 579 HH12 ARG 75 HH22 ARG 75 81.102 7.427 -11.860 580 HH21 ARG 75 HH11 ARG 75 83.845 6.425 -10.022 581 HH22 ARG 75 HH12 ARG 75 82.954 7.764 -10.662 582 H VAL 76 HN VAL 76 82.105 4.435 -5.341 583 HA VAL 76 HA VAL 76 80.858 1.866 -4.523 584 HB VAL 76 HB VAL 76 80.816 4.482 -3.004 585 HG11 VAL 76 HG11 VAL 76 79.120 2.519 -2.603 586 HG12 VAL 76 HG12 VAL 76 79.931 3.253 -1.219 587 HG13 VAL 76 HG13 VAL 76 80.502 1.711 -1.856 588 HG21 VAL 76 HG21 VAL 76 82.589 3.473 -1.589 589 HG22 VAL 76 HG22 VAL 76 83.131 3.770 -3.243 590 HG23 VAL 76 HG23 VAL 76 82.711 2.134 -2.729 591 H THR 77 HN THR 77 78.882 1.577 -5.395 592 HA THR 77 HA THR 77 77.146 3.963 -5.796 593 HB THR 77 HB THR 77 77.430 1.629 -7.689 594 HG1 THR 77 HG1 THR 77 78.112 3.767 -8.896 595 HG21 THR 77 HG21 THR 77 76.104 3.107 -9.192 596 HG22 THR 77 HG22 THR 77 75.905 4.231 -7.845 597 HG23 THR 77 HG23 THR 77 75.209 2.610 -7.755 598 H PHE 78 HN PHE 78 75.201 3.778 -4.943 599 HA PHE 78 HA PHE 78 74.068 1.093 -4.363 600 HB2 PHE 78 HB2 PHE 78 74.684 1.936 -2.260 601 HB3 PHE 78 HB1 PHE 78 74.291 3.592 -2.708 602 HD1 PHE 78 HD1 PHE 78 72.405 0.314 -2.772 603 HD2 PHE 78 HD2 PHE 78 72.486 4.427 -1.500 604 HE1 PHE 78 HE1 PHE 78 70.174 0.049 -1.737 605 HE2 PHE 78 HE2 PHE 78 70.269 4.140 -0.441 606 HZ PHE 78 HZ PHE 78 69.110 1.954 -0.551 607 H LEU 79 HN LEU 79 72.360 0.831 -5.702 608 HA LEU 79 HA LEU 79 70.739 3.206 -6.435 609 HB2 LEU 79 HB2 LEU 79 72.077 1.898 -8.184 610 HB3 LEU 79 HB1 LEU 79 70.866 0.633 -7.994 611 HG LEU 79 HG LEU 79 70.233 3.524 -8.663 612 HD11 LEU 79 HD11 LEU 79 69.866 2.632 -10.959 613 HD12 LEU 79 HD12 LEU 79 70.531 1.089 -10.416 614 HD13 LEU 79 HD13 LEU 79 71.548 2.533 -10.429 615 HD21 LEU 79 HD21 LEU 79 68.229 2.599 -7.800 616 HD22 LEU 79 HD22 LEU 79 68.587 0.998 -8.457 617 HD23 LEU 79 HD23 LEU 79 68.089 2.302 -9.525 618 H ALA 80 HN ALA 80 69.196 3.145 -4.830 619 HA ALA 80 HA ALA 80 67.473 0.732 -4.717 620 HB1 ALA 80 HB1 ALA 80 66.449 2.045 -2.720 621 HB2 ALA 80 HB2 ALA 80 67.913 3.025 -2.798 622 HB3 ALA 80 HB3 ALA 80 68.024 1.292 -2.499 623 H GLY 81 HN GLY 81 66.408 1.117 -6.680 624 HA2 GLY 81 HA2 GLY 81 64.822 2.041 -8.088 625 HA3 GLY 81 HA1 GLY 81 64.037 2.540 -6.596 626 H ASP 82 HN ASP 82 63.278 4.480 -7.566 627 HA ASP 82 HA ASP 82 64.500 6.333 -9.066 628 HB2 ASP 82 HB2 ASP 82 62.624 6.743 -6.724 629 HB3 ASP 82 HB1 ASP 82 63.161 8.080 -7.742 630 H MET 83 HN MET 83 65.625 5.426 -6.033 631 HA MET 83 HA MET 83 67.116 7.930 -5.581 632 HB2 MET 83 HB2 MET 83 67.055 5.411 -3.922 633 HB3 MET 83 HB1 MET 83 67.699 6.978 -3.452 634 HG2 MET 83 HG2 MET 83 65.406 7.959 -3.738 635 HG3 MET 83 HG1 MET 83 64.781 6.332 -4.018 636 HE1 MET 83 HE1 MET 83 63.530 7.430 -0.576 637 HE2 MET 83 HE2 MET 83 63.170 6.005 -1.542 638 HE3 MET 83 HE3 MET 83 63.336 7.571 -2.330 639 H VAL 84 HN VAL 84 69.004 8.095 -6.680 640 HA VAL 84 HA VAL 84 70.740 5.699 -6.829 641 HB VAL 84 HB VAL 84 69.976 6.145 -9.075 642 HG11 VAL 84 HG11 VAL 84 70.152 8.339 -10.132 643 HG12 VAL 84 HG12 VAL 84 70.854 9.016 -8.662 644 HG13 VAL 84 HG13 VAL 84 69.175 8.474 -8.667 645 HG21 VAL 84 HG21 VAL 84 72.070 6.504 -10.150 646 HG22 VAL 84 HG22 VAL 84 72.455 5.763 -8.598 647 HG23 VAL 84 HG23 VAL 84 72.673 7.502 -8.826 648 H THR 85 HN THR 85 72.682 5.959 -5.888 649 HA THR 85 HA THR 85 73.680 8.715 -5.438 650 HB THR 85 HB THR 85 74.008 8.357 -3.148 651 HG1 THR 85 HG1 THR 85 74.751 6.022 -3.856 652 HG21 THR 85 HG21 THR 85 71.901 7.364 -2.257 653 HG22 THR 85 HG22 THR 85 71.534 6.726 -3.846 654 HG23 THR 85 HG23 THR 85 71.594 8.470 -3.594 655 H SER 86 HN SER 86 75.971 8.874 -5.160 656 HA SER 86 HA SER 86 77.608 6.499 -5.511 657 HB2 SER 86 HB2 SER 86 76.983 6.959 -7.811 658 HB3 SER 86 HB1 SER 86 77.411 8.654 -7.625 659 HG SER 86 HG SER 86 79.563 8.014 -7.318 660 H ALA 87 HN ALA 87 79.434 6.755 -4.340 661 HA ALA 87 HA ALA 87 80.510 9.483 -3.950 662 HB1 ALA 87 HB1 ALA 87 80.817 9.107 -1.603 663 HB2 ALA 87 HB2 ALA 87 80.312 7.426 -1.742 664 HB3 ALA 87 HB3 ALA 87 79.135 8.720 -1.959 665 H PHE 88 HN PHE 88 82.758 9.588 -3.664 666 HA PHE 88 HA PHE 88 84.199 7.388 -4.855 667 HB2 PHE 88 HB2 PHE 88 85.182 10.048 -3.791 668 HB3 PHE 88 HB1 PHE 88 86.136 8.892 -4.723 669 HD1 PHE 88 HD1 PHE 88 85.147 8.126 -7.015 670 HD2 PHE 88 HD2 PHE 88 83.911 11.695 -4.967 671 HE1 PHE 88 HE1 PHE 88 84.278 9.045 -9.148 672 HE2 PHE 88 HE2 PHE 88 83.048 12.614 -7.108 673 HZ PHE 88 HZ PHE 88 83.231 11.284 -9.186 674 H LEU 89 HN LEU 89 86.259 6.689 -3.977 675 HA LEU 89 HA LEU 89 86.281 6.454 -1.024 676 HB2 LEU 89 HB2 LEU 89 85.357 4.350 -1.867 677 HB3 LEU 89 HB1 LEU 89 86.719 4.167 -2.972 678 HG LEU 89 HG LEU 89 88.260 4.102 -1.016 679 HD11 LEU 89 HD11 LEU 89 87.288 5.266 0.751 680 HD12 LEU 89 HD12 LEU 89 86.896 3.616 1.231 681 HD13 LEU 89 HD13 LEU 89 85.682 4.618 0.438 682 HD21 LEU 89 HD21 LEU 89 86.054 2.102 -0.549 683 HD22 LEU 89 HD22 LEU 89 87.798 1.864 -0.440 684 HD23 LEU 89 HD23 LEU 89 87.029 2.043 -2.020 685 H THR 90 HN THR 90 88.306 6.503 -0.104 686 HA THR 90 HA THR 90 90.644 6.614 -1.904 687 HB THR 90 HB THR 90 90.034 8.655 0.240 688 HG1 THR 90 HG1 THR 90 88.833 9.089 -1.583 689 HG21 THR 90 HG21 THR 90 92.371 8.403 0.212 690 HG22 THR 90 HG22 THR 90 92.091 9.736 -0.905 691 HG23 THR 90 HG23 THR 90 92.421 8.119 -1.531 692 H VAL 91 HN VAL 91 92.213 5.338 -1.225 693 HA VAL 91 HA VAL 91 92.630 4.991 1.679 694 HB VAL 91 HB VAL 91 92.624 2.705 -0.288 695 HG11 VAL 91 HG11 VAL 91 93.229 2.983 2.655 696 HG12 VAL 91 HG12 VAL 91 94.198 2.225 1.396 697 HG13 VAL 91 HG13 VAL 91 92.729 1.443 1.963 698 HG21 VAL 91 HG21 VAL 91 90.348 3.521 0.190 699 HG22 VAL 91 HG22 VAL 91 90.664 3.395 1.919 700 HG23 VAL 91 HG23 VAL 91 90.622 1.944 0.920 701 H ARG 92 HN ARG 92 94.692 5.420 2.191 702 HA ARG 92 HA ARG 92 96.678 5.756 0.132 703 HB2 ARG 92 HB2 ARG 92 96.713 6.101 3.128 704 HB3 ARG 92 HB1 ARG 92 98.096 6.458 2.092 705 HG2 ARG 92 HG2 ARG 92 96.714 8.041 0.803 706 HG3 ARG 92 HG1 ARG 92 95.339 7.699 1.853 707 HD2 ARG 92 HD2 ARG 92 96.632 8.524 3.791 708 HD3 ARG 92 HD1 ARG 92 97.990 8.871 2.726 709 HE ARG 92 HE ARG 92 96.861 10.764 1.963 710 HH11 ARG 92 HH11 ARG 92 94.580 8.527 3.256 711 HH12 ARG 92 HH12 ARG 92 93.358 9.718 3.553 712 HH21 ARG 92 HH21 ARG 92 95.331 12.371 2.501 713 HH22 ARG 92 HH22 ARG 92 93.781 11.896 3.104 714 H GLY 93 HN GLY 93 98.957 5.017 0.594 715 HA2 GLY 93 HA2 GLY 93 99.074 2.259 1.652 716 HA3 GLY 93 HA1 GLY 93 99.696 2.623 0.042 717 H GLY 94 HN GLY 94 101.746 3.285 -0.143 718 HA2 GLY 94 HA2 GLY 94 103.310 3.826 2.294 719 HA3 GLY 94 HA1 GLY 94 103.957 3.396 0.711 720 H LEU 95 HN LEU 95 103.986 5.878 2.768 721 HA LEU 95 HA LEU 95 103.364 8.033 0.873 722 HB2 LEU 95 HB2 LEU 95 104.230 7.991 3.769 723 HB3 LEU 95 HB1 LEU 95 104.026 9.477 2.845 724 HG LEU 95 HG LEU 95 101.852 7.382 3.135 725 HD11 LEU 95 HD11 LEU 95 102.125 9.980 4.672 726 HD12 LEU 95 HD12 LEU 95 102.504 8.391 5.335 727 HD13 LEU 95 HD13 LEU 95 100.852 8.769 4.849 728 HD21 LEU 95 HD21 LEU 95 100.537 9.675 2.602 729 HD22 LEU 95 HD22 LEU 95 101.185 8.670 1.314 730 HD23 LEU 95 HD23 LEU 95 102.075 10.093 1.847 731 H GLU 96 HN GLU 96 106.170 6.922 2.813 732 HA GLU 96 HA GLU 96 107.965 7.850 0.680 733 HB2 GLU 96 HB2 GLU 96 108.181 8.757 3.576 734 HB3 GLU 96 HB1 GLU 96 109.440 8.978 2.366 735 HG2 GLU 96 HG2 GLU 96 107.936 10.333 1.004 736 HG3 GLU 96 HG1 GLU 96 106.632 10.088 2.160 737 H HIS 97 HN HIS 97 110.128 7.465 2.907 738 HA HIS 97 HA HIS 97 110.511 4.636 2.385 739 HB2 HIS 97 HB2 HIS 97 112.658 4.975 3.546 740 HB3 HIS 97 HB1 HIS 97 112.390 6.170 2.279 741 HD1 HIS 97 HD1 HIS 97 111.599 8.578 3.055 742 HD2 HIS 97 HD2 HIS 97 112.873 6.055 6.124 743 HE1 HIS 97 HE1 HIS 97 111.980 10.059 5.072 744 H HIS 98 HN HIS 98 110.816 2.994 3.988 745 HA HIS 98 HA HIS 98 109.781 3.570 6.703 746 HB2 HIS 98 HB2 HIS 98 107.935 2.585 5.360 747 HB3 HIS 98 HB1 HIS 98 108.965 1.207 4.976 748 HD1 HIS 98 HD1 HIS 98 107.319 2.913 7.921 749 HD2 HIS 98 HD2 HIS 98 109.100 -0.743 7.001 750 HE1 HIS 98 HE1 HIS 98 106.924 1.415 9.912 751 H HIS 99 HN HIS 99 110.724 2.359 8.329 752 HA HIS 99 HA HIS 99 113.221 1.015 7.610 753 HB2 HIS 99 HB2 HIS 99 112.025 1.751 10.293 754 HB3 HIS 99 HB1 HIS 99 113.619 1.034 10.058 755 HD1 HIS 99 HD1 HIS 99 115.325 2.546 8.520 756 HD2 HIS 99 HD2 HIS 99 111.959 4.505 10.021 757 HE1 HIS 99 HE1 HIS 99 115.782 5.027 8.324 758 H HIS 100 HN HIS 100 113.365 -1.104 7.392 759 HA HIS 100 HA HIS 100 111.514 -2.894 8.856 760 HB2 HIS 100 HB2 HIS 100 110.752 -2.611 6.491 761 HB3 HIS 100 HB1 HIS 100 112.319 -3.225 5.956 762 HD1 HIS 100 HD1 HIS 100 109.617 -4.346 8.421 763 HD2 HIS 100 HD2 HIS 100 112.237 -5.976 5.606 764 HE1 HIS 100 HE1 HIS 100 109.214 -6.850 8.410 765 H HIS 101 HN HIS 101 112.477 -4.544 9.822 766 HA HIS 101 HA HIS 101 115.379 -4.882 9.493 767 HB2 HIS 101 HB2 HIS 101 114.374 -4.512 11.741 768 HB3 HIS 101 HB1 HIS 101 113.511 -6.042 11.571 769 HD1 HIS 101 HD1 HIS 101 114.715 -7.779 12.874 770 HD2 HIS 101 HD2 HIS 101 117.380 -5.218 10.945 771 HE1 HIS 101 HE1 HIS 101 117.041 -8.670 13.349 772 H HIS 102 HN HIS 102 116.080 -6.419 8.192 773 HA HIS 102 HA HIS 102 116.201 -8.382 6.985 774 HB2 HIS 102 HB2 HIS 102 116.259 -9.147 9.416 775 HB3 HIS 102 HB1 HIS 102 114.557 -9.560 9.220 776 HD1 HIS 102 HD1 HIS 102 117.960 -10.379 7.746 777 HD2 HIS 102 HD2 HIS 102 114.110 -11.991 7.918 778 HE1 HIS 102 HE1 HIS 102 118.102 -12.686 6.714 Start of MODEL 16 1 H1 THR 1 HT1 THR 1 54.955 -0.121 -2.590 2 H2 THR 1 HT2 THR 1 55.845 -0.766 -3.886 3 H3 THR 1 HT3 THR 1 54.168 -0.542 -4.034 4 HA THR 1 HA THR 1 56.263 1.548 -3.873 5 HB THR 1 HB THR 1 54.123 1.067 -5.960 6 HG1 THR 1 HG1 THR 1 55.563 -0.692 -5.858 7 HG21 THR 1 HG21 THR 1 55.237 3.345 -5.702 8 HG22 THR 1 HG22 THR 1 55.381 2.598 -7.294 9 HG23 THR 1 HG23 THR 1 56.744 2.560 -6.173 10 H ALA 2 HN ALA 2 55.639 3.011 -2.405 11 HA ALA 2 HA ALA 2 52.950 4.185 -2.629 12 HB1 ALA 2 HB1 ALA 2 54.165 3.270 -0.012 13 HB2 ALA 2 HB2 ALA 2 52.800 2.503 -0.826 14 HB3 ALA 2 HB3 ALA 2 52.646 4.145 -0.199 15 H LYS 3 HN LYS 3 56.250 4.325 -1.387 16 HA LYS 3 HA LYS 3 56.497 7.090 -2.014 17 HB2 LYS 3 HB2 LYS 3 55.163 7.278 0.083 18 HB3 LYS 3 HB1 LYS 3 56.414 6.371 0.934 19 HG2 LYS 3 HG2 LYS 3 56.816 8.699 1.377 20 HG3 LYS 3 HG1 LYS 3 58.060 8.180 0.248 21 HD2 LYS 3 HD2 LYS 3 56.998 9.263 -1.587 22 HD3 LYS 3 HD1 LYS 3 55.489 9.464 -0.696 23 HE2 LYS 3 HE2 LYS 3 58.129 10.823 -0.075 24 HE3 LYS 3 HE1 LYS 3 56.714 11.591 -0.797 25 HZ1 LYS 3 HZ1 LYS 3 56.570 12.093 1.456 26 HZ2 LYS 3 HZ2 LYS 3 57.041 10.535 1.941 27 HZ3 LYS 3 HZ3 LYS 3 55.501 10.789 1.271 28 H ASN 4 HN ASN 4 58.540 7.086 -2.765 29 HA ASN 4 HA ASN 4 60.653 5.929 -1.081 30 HB2 ASN 4 HB2 ASN 4 61.729 4.934 -3.053 31 HB3 ASN 4 HB1 ASN 4 60.145 4.219 -2.751 32 HD21 ASN 4 HD21 ASN 4 61.403 4.214 -5.367 33 HD22 ASN 4 HD22 ASN 4 60.443 5.167 -6.393 34 H THR 5 HN THR 5 61.755 7.752 -0.543 35 HA THR 5 HA THR 5 62.724 9.441 -2.759 36 HB THR 5 HB THR 5 61.495 10.572 -0.236 37 HG1 THR 5 HG1 THR 5 59.698 10.217 -1.231 38 HG21 THR 5 HG21 THR 5 62.483 11.794 -2.824 39 HG22 THR 5 HG22 THR 5 63.194 11.995 -1.222 40 HG23 THR 5 HG23 THR 5 61.607 12.679 -1.575 41 H VAL 6 HN VAL 6 64.858 9.367 -2.582 42 HA VAL 6 HA VAL 6 66.244 8.670 -0.204 43 HB VAL 6 HB VAL 6 67.130 8.340 -2.529 44 HG11 VAL 6 HG11 VAL 6 67.895 11.262 -2.355 45 HG12 VAL 6 HG12 VAL 6 66.463 10.720 -3.228 46 HG13 VAL 6 HG13 VAL 6 68.065 10.180 -3.736 47 HG21 VAL 6 HG21 VAL 6 68.552 8.306 -0.439 48 HG22 VAL 6 HG22 VAL 6 68.943 9.996 -0.753 49 HG23 VAL 6 HG23 VAL 6 69.430 8.751 -1.903 50 H VAL 7 HN VAL 7 67.099 9.856 1.378 51 HA VAL 7 HA VAL 7 66.571 12.754 1.399 52 HB VAL 7 HB VAL 7 67.597 10.981 3.628 53 HG11 VAL 7 HG11 VAL 7 66.096 13.596 3.820 54 HG12 VAL 7 HG12 VAL 7 67.854 13.547 3.687 55 HG13 VAL 7 HG13 VAL 7 67.053 12.794 5.065 56 HG21 VAL 7 HG21 VAL 7 65.443 10.118 2.916 57 HG22 VAL 7 HG22 VAL 7 64.767 11.746 2.844 58 HG23 VAL 7 HG23 VAL 7 65.196 11.038 4.402 59 H ARG 8 HN ARG 8 69.098 10.346 1.848 60 HA ARG 8 HA ARG 8 71.074 12.092 0.667 61 HB2 ARG 8 HB2 ARG 8 71.363 12.716 3.004 62 HB3 ARG 8 HB1 ARG 8 71.429 11.017 3.479 63 HG2 ARG 8 HG2 ARG 8 73.482 10.670 2.253 64 HG3 ARG 8 HG1 ARG 8 73.373 12.265 1.507 65 HD2 ARG 8 HD2 ARG 8 73.646 13.327 3.704 66 HD3 ARG 8 HD1 ARG 8 73.676 11.747 4.484 67 HE ARG 8 HE ARG 8 75.695 11.746 2.549 68 HH11 ARG 8 HH21 ARG 8 75.984 11.333 5.583 69 HH12 ARG 8 HH22 ARG 8 77.110 12.585 5.983 70 HH21 ARG 8 HH11 ARG 8 76.671 14.295 2.995 71 HH22 ARG 8 HH12 ARG 8 77.505 14.261 4.513 72 H GLY 9 HN GLY 9 72.884 10.919 -0.021 73 HA2 GLY 9 HA2 GLY 9 72.455 7.988 -0.187 74 HA3 GLY 9 HA1 GLY 9 73.158 8.974 -1.454 75 H LEU 10 HN LEU 10 75.035 7.876 -1.596 76 HA LEU 10 HA LEU 10 76.702 7.235 0.625 77 HB2 LEU 10 HB2 LEU 10 77.398 7.514 -2.316 78 HB3 LEU 10 HB1 LEU 10 78.354 6.667 -1.102 79 HG LEU 10 HG LEU 10 75.487 5.926 -1.772 80 HD11 LEU 10 HD11 LEU 10 76.624 5.458 -3.786 81 HD12 LEU 10 HD12 LEU 10 76.699 3.925 -2.916 82 HD13 LEU 10 HD13 LEU 10 78.104 4.991 -2.948 83 HD21 LEU 10 HD21 LEU 10 77.706 4.649 -0.159 84 HD22 LEU 10 HD22 LEU 10 76.332 3.719 -0.746 85 HD23 LEU 10 HD23 LEU 10 76.075 5.053 0.369 86 H GLU 11 HN GLU 11 78.788 8.153 1.092 87 HA GLU 11 HA GLU 11 79.228 10.928 0.191 88 HB2 GLU 11 HB2 GLU 11 79.635 11.655 2.495 89 HB3 GLU 11 HB1 GLU 11 77.992 11.038 2.328 90 HG2 GLU 11 HG2 GLU 11 78.766 8.836 3.206 91 HG3 GLU 11 HG1 GLU 11 80.365 9.532 3.464 92 H ASN 12 HN ASN 12 81.410 11.652 0.527 93 HA ASN 12 HA ASN 12 83.367 9.829 -0.245 94 HB2 ASN 12 HB2 ASN 12 84.996 11.590 0.383 95 HB3 ASN 12 HB1 ASN 12 83.643 12.220 -0.556 96 HD21 ASN 12 HD21 ASN 12 84.543 14.292 0.654 97 HD22 ASN 12 HD22 ASN 12 83.816 14.637 2.148 98 H VAL 13 HN VAL 13 84.908 8.622 0.779 99 HA VAL 13 HA VAL 13 84.949 8.628 3.747 100 HB VAL 13 HB VAL 13 84.663 6.195 1.972 101 HG11 VAL 13 HG11 VAL 13 84.707 5.002 4.250 102 HG12 VAL 13 HG12 VAL 13 85.424 6.485 4.880 103 HG13 VAL 13 HG13 VAL 13 86.257 5.569 3.623 104 HG21 VAL 13 HG21 VAL 13 82.673 5.811 3.446 105 HG22 VAL 13 HG22 VAL 13 82.545 7.289 2.495 106 HG23 VAL 13 HG23 VAL 13 82.975 7.376 4.203 107 H GLU 14 HN GLU 14 86.953 8.579 4.590 108 HA GLU 14 HA GLU 14 89.222 7.758 2.858 109 HB2 GLU 14 HB2 GLU 14 89.117 10.141 4.726 110 HB3 GLU 14 HB1 GLU 14 90.553 9.577 3.872 111 HG2 GLU 14 HG2 GLU 14 89.391 9.928 1.715 112 HG3 GLU 14 HG1 GLU 14 87.984 10.537 2.583 113 H ALA 15 HN ALA 15 90.631 6.375 3.796 114 HA ALA 15 HA ALA 15 90.977 6.312 6.675 115 HB1 ALA 15 HB1 ALA 15 89.078 4.915 6.677 116 HB2 ALA 15 HB2 ALA 15 90.443 3.800 6.718 117 HB3 ALA 15 HB3 ALA 15 89.578 4.085 5.207 118 H LEU 16 HN LEU 16 92.838 5.256 7.316 119 HA LEU 16 HA LEU 16 94.871 4.995 5.328 120 HB2 LEU 16 HB2 LEU 16 96.267 4.208 7.271 121 HB3 LEU 16 HB1 LEU 16 95.531 5.790 7.495 122 HG LEU 16 HG LEU 16 93.861 3.502 8.437 123 HD11 LEU 16 HD11 LEU 16 95.121 3.120 10.481 124 HD12 LEU 16 HD12 LEU 16 96.354 4.278 9.983 125 HD13 LEU 16 HD13 LEU 16 96.158 2.763 9.101 126 HD21 LEU 16 HD21 LEU 16 93.515 6.073 8.746 127 HD22 LEU 16 HD22 LEU 16 94.724 5.933 10.017 128 HD23 LEU 16 HD23 LEU 16 93.219 5.022 10.128 129 H GLU 17 HN GLU 17 96.093 3.093 4.851 130 HA GLU 17 HA GLU 17 94.656 0.866 4.100 131 HB2 GLU 17 HB2 GLU 17 97.026 1.483 3.469 132 HB3 GLU 17 HB1 GLU 17 97.539 0.759 4.988 133 HG2 GLU 17 HG2 GLU 17 95.857 -0.750 2.977 134 HG3 GLU 17 HG1 GLU 17 97.617 -0.753 2.915 135 H GLY 18 HN GLY 18 93.989 -0.997 5.014 136 HA2 GLY 18 HA2 GLY 18 93.692 -2.668 6.582 137 HA3 GLY 18 HA1 GLY 18 95.020 -1.985 7.515 138 H GLY 19 HN GLY 19 92.466 0.128 6.564 139 HA2 GLY 19 HA2 GLY 19 91.570 0.337 9.376 140 HA3 GLY 19 HA1 GLY 19 91.374 1.566 8.130 141 H GLU 20 HN GLU 20 89.116 1.666 8.678 142 HA GLU 20 HA GLU 20 87.546 -0.470 7.362 143 HB2 GLU 20 HB2 GLU 20 85.853 -0.344 9.118 144 HB3 GLU 20 HB1 GLU 20 87.409 -0.796 9.812 145 HG2 GLU 20 HG2 GLU 20 87.788 1.577 10.441 146 HG3 GLU 20 HG1 GLU 20 86.188 1.978 9.821 147 H ALA 21 HN ALA 21 85.379 0.273 6.726 148 HA ALA 21 HA ALA 21 85.113 3.203 6.425 149 HB1 ALA 21 HB1 ALA 21 84.359 2.668 3.989 150 HB2 ALA 21 HB2 ALA 21 85.285 1.183 4.201 151 HB3 ALA 21 HB3 ALA 21 86.086 2.747 4.343 152 H LEU 22 HN LEU 22 83.078 3.938 6.457 153 HA LEU 22 HA LEU 22 80.877 1.964 6.604 154 HB2 LEU 22 HB2 LEU 22 81.389 4.402 8.312 155 HB3 LEU 22 HB1 LEU 22 79.845 3.557 8.276 156 HG LEU 22 HG LEU 22 82.464 2.150 8.872 157 HD11 LEU 22 HD11 LEU 22 80.511 3.499 10.753 158 HD12 LEU 22 HD12 LEU 22 82.240 3.810 10.594 159 HD13 LEU 22 HD13 LEU 22 81.676 2.289 11.284 160 HD21 LEU 22 HD21 LEU 22 79.531 1.432 9.033 161 HD22 LEU 22 HD22 LEU 22 80.681 0.646 10.109 162 HD23 LEU 22 HD23 LEU 22 80.871 0.498 8.368 163 H PHE 23 HN PHE 23 79.728 2.228 4.802 164 HA PHE 23 HA PHE 23 79.149 4.975 3.846 165 HB2 PHE 23 HB2 PHE 23 79.225 2.269 2.516 166 HB3 PHE 23 HB1 PHE 23 78.280 3.577 1.815 167 HD1 PHE 23 HD2 PHE 23 79.398 5.670 1.065 168 HD2 PHE 23 HD1 PHE 23 81.632 2.267 2.436 169 HE1 PHE 23 HE2 PHE 23 81.438 6.571 -0.011 170 HE2 PHE 23 HE1 PHE 23 83.671 3.177 1.359 171 HZ PHE 23 HZ PHE 23 83.565 5.328 0.130 172 H GLU 24 HN GLU 24 77.364 5.580 5.033 173 HA GLU 24 HA GLU 24 75.022 3.769 4.923 174 HB2 GLU 24 HB2 GLU 24 74.338 4.474 7.087 175 HB3 GLU 24 HB1 GLU 24 76.042 4.047 7.211 176 HG2 GLU 24 HG2 GLU 24 76.591 6.484 6.879 177 HG3 GLU 24 HG1 GLU 24 74.864 6.825 7.004 178 H CYS 25 HN CYS 25 72.978 4.693 4.722 179 HA CYS 25 HA CYS 25 72.843 7.535 3.917 180 HB2 CYS 25 HB2 CYS 25 71.712 5.265 2.275 181 HB3 CYS 25 HB1 CYS 25 71.726 6.975 1.868 182 HG CYS 25 HG CYS 25 73.815 5.387 0.880 183 H GLN 26 HN GLN 26 70.613 8.288 3.705 184 HA GLN 26 HA GLN 26 68.743 6.859 5.525 185 HB2 GLN 26 HB2 GLN 26 69.096 9.820 4.979 186 HB3 GLN 26 HB1 GLN 26 67.786 9.134 5.942 187 HG2 GLN 26 HG2 GLN 26 69.382 8.191 7.522 188 HG3 GLN 26 HG1 GLN 26 70.734 8.726 6.523 189 HE21 GLN 26 HE21 GLN 26 69.037 9.568 9.265 190 HE22 GLN 26 HE22 GLN 26 69.321 11.242 9.258 191 H LEU 27 HN LEU 27 67.347 5.810 4.276 192 HA LEU 27 HA LEU 27 66.344 7.069 1.783 193 HB2 LEU 27 HB2 LEU 27 67.539 4.827 1.730 194 HB3 LEU 27 HB1 LEU 27 66.179 4.176 2.636 195 HG LEU 27 HG LEU 27 64.749 5.317 0.691 196 HD11 LEU 27 HD11 LEU 27 66.611 6.367 -0.465 197 HD12 LEU 27 HD12 LEU 27 65.964 5.077 -1.478 198 HD13 LEU 27 HD13 LEU 27 67.455 4.822 -0.581 199 HD21 LEU 27 HD21 LEU 27 66.299 2.731 0.349 200 HD22 LEU 27 HD22 LEU 27 64.846 3.172 -0.548 201 HD23 LEU 27 HD23 LEU 27 64.761 2.912 1.194 202 H SER 28 HN SER 28 64.252 7.620 1.623 203 HA SER 28 HA SER 28 62.437 7.103 3.851 204 HB2 SER 28 HB2 SER 28 62.549 9.323 2.600 205 HB3 SER 28 HB1 SER 28 61.828 8.487 1.228 206 HG SER 28 HG SER 28 60.224 9.438 2.506 207 H GLN 29 HN GLN 29 61.926 4.938 3.763 208 HA GLN 29 HA GLN 29 59.963 4.003 2.009 209 HB2 GLN 29 HB2 GLN 29 62.444 3.976 0.750 210 HB3 GLN 29 HB1 GLN 29 62.333 2.338 1.359 211 HG2 GLN 29 HG2 GLN 29 60.312 3.746 -0.402 212 HG3 GLN 29 HG1 GLN 29 61.378 2.427 -0.873 213 HE21 GLN 29 HE21 GLN 29 58.463 3.242 0.961 214 HE22 GLN 29 HE22 GLN 29 57.960 1.639 1.203 215 HA PRO 30 HA PRO 30 60.618 1.594 5.907 216 HB2 PRO 30 HB2 PRO 30 57.741 1.530 6.266 217 HB3 PRO 30 HB1 PRO 30 58.945 2.387 7.239 218 HG2 PRO 30 HG2 PRO 30 57.054 3.559 5.533 219 HG3 PRO 30 HG1 PRO 30 58.454 4.363 6.257 220 HD2 PRO 30 HD2 PRO 30 58.074 3.440 3.465 221 HD3 PRO 30 HD1 PRO 30 59.196 4.658 4.107 222 H GLU 31 HN GLU 31 60.183 0.724 3.014 223 HA GLU 31 HA GLU 31 59.376 -2.024 3.609 224 HB2 GLU 31 HB2 GLU 31 57.321 -0.835 2.794 225 HB3 GLU 31 HB1 GLU 31 58.178 -0.443 1.309 226 HG2 GLU 31 HG2 GLU 31 58.403 -2.790 0.745 227 HG3 GLU 31 HG1 GLU 31 57.756 -3.273 2.310 228 H VAL 32 HN VAL 32 59.953 -3.410 1.616 229 HA VAL 32 HA VAL 32 62.276 -2.249 0.184 230 HB VAL 32 HB VAL 32 62.054 -4.910 1.596 231 HG11 VAL 32 HG11 VAL 32 63.148 -5.491 -0.408 232 HG12 VAL 32 HG12 VAL 32 64.488 -5.108 0.669 233 HG13 VAL 32 HG13 VAL 32 63.954 -3.927 -0.527 234 HG21 VAL 32 HG21 VAL 32 62.711 -3.013 3.006 235 HG22 VAL 32 HG22 VAL 32 63.960 -2.562 1.846 236 HG23 VAL 32 HG23 VAL 32 64.096 -4.074 2.744 237 H ALA 33 HN ALA 33 61.752 -2.201 -1.891 238 HA ALA 33 HA ALA 33 60.170 -4.431 -3.043 239 HB1 ALA 33 HB1 ALA 33 59.650 -2.722 -4.856 240 HB2 ALA 33 HB2 ALA 33 60.348 -1.508 -3.782 241 HB3 ALA 33 HB3 ALA 33 58.923 -2.416 -3.278 242 H ALA 34 HN ALA 34 62.945 -2.272 -3.521 243 HA ALA 34 HA ALA 34 64.380 -4.286 -4.948 244 HB1 ALA 34 HB1 ALA 34 63.553 -1.892 -6.595 245 HB2 ALA 34 HB2 ALA 34 62.762 -3.464 -6.699 246 HB3 ALA 34 HB3 ALA 34 64.463 -3.304 -7.135 247 H HIS 35 HN HIS 35 66.475 -3.961 -4.592 248 HA HIS 35 HA HIS 35 67.615 -1.277 -4.539 249 HB2 HIS 35 HB2 HIS 35 67.634 -3.104 -2.128 250 HB3 HIS 35 HB1 HIS 35 68.732 -1.738 -2.325 251 HD1 HIS 35 HD1 HIS 35 65.273 -2.594 -1.354 252 HD2 HIS 35 HD2 HIS 35 67.361 0.842 -2.450 253 HE1 HIS 35 HE1 HIS 35 63.829 -0.629 -0.669 254 H THR 36 HN THR 36 69.578 -1.336 -5.516 255 HA THR 36 HA THR 36 70.964 -3.976 -5.663 256 HB THR 36 HB THR 36 70.965 -1.760 -7.727 257 HG1 THR 36 HG1 THR 36 68.966 -2.964 -7.422 258 HG21 THR 36 HG21 THR 36 72.200 -4.508 -7.568 259 HG22 THR 36 HG22 THR 36 72.980 -2.977 -7.961 260 HG23 THR 36 HG23 THR 36 71.884 -3.731 -9.119 261 H TRP 37 HN TRP 37 72.857 -4.008 -4.632 262 HA TRP 37 HA TRP 37 74.307 -1.455 -4.188 263 HB2 TRP 37 HB2 TRP 37 74.020 -4.001 -2.618 264 HB3 TRP 37 HB1 TRP 37 75.500 -3.066 -2.432 265 HD1 TRP 37 HD1 TRP 37 71.789 -2.998 -1.682 266 HE1 TRP 37 HE1 TRP 37 71.285 -1.024 -0.101 267 HE3 TRP 37 HE3 TRP 37 76.318 -0.648 -1.741 268 HZ2 TRP 37 HZ2 TRP 37 72.631 1.252 0.996 269 HZ3 TRP 37 HZ3 TRP 37 76.683 1.415 -0.419 270 HH2 TRP 37 HH2 TRP 37 74.845 2.370 0.950 271 H LEU 38 HN LEU 38 75.777 -1.226 -5.803 272 HA LEU 38 HA LEU 38 77.725 -3.417 -6.159 273 HB2 LEU 38 HB2 LEU 38 76.396 -1.886 -8.403 274 HB3 LEU 38 HB1 LEU 38 77.841 -2.873 -8.604 275 HG LEU 38 HG LEU 38 75.178 -3.888 -7.558 276 HD11 LEU 38 HD11 LEU 38 76.491 -4.500 -10.215 277 HD12 LEU 38 HD12 LEU 38 75.322 -3.191 -10.025 278 HD13 LEU 38 HD13 LEU 38 74.838 -4.859 -9.716 279 HD21 LEU 38 HD21 LEU 38 76.452 -6.126 -8.255 280 HD22 LEU 38 HD22 LEU 38 76.739 -5.396 -6.685 281 HD23 LEU 38 HD23 LEU 38 77.891 -5.138 -7.993 282 H LEU 39 HN LEU 39 79.496 -2.690 -5.402 283 HA LEU 39 HA LEU 39 80.358 0.092 -5.887 284 HB2 LEU 39 HB2 LEU 39 82.207 -0.896 -4.142 285 HB3 LEU 39 HB1 LEU 39 80.712 -0.160 -3.610 286 HG LEU 39 HG LEU 39 79.679 -2.505 -3.644 287 HD11 LEU 39 HD11 LEU 39 81.331 -4.363 -3.423 288 HD12 LEU 39 HD12 LEU 39 82.617 -3.247 -3.842 289 HD13 LEU 39 HD13 LEU 39 81.364 -3.638 -5.025 290 HD21 LEU 39 HD21 LEU 39 81.995 -2.069 -1.748 291 HD22 LEU 39 HD22 LEU 39 80.559 -3.045 -1.465 292 HD23 LEU 39 HD23 LEU 39 80.418 -1.298 -1.589 293 H ASP 40 HN ASP 40 82.844 -2.129 -5.168 294 HA ASP 40 HA ASP 40 84.058 -1.906 -7.696 295 HB2 ASP 40 HB2 ASP 40 84.391 -4.229 -5.762 296 HB3 ASP 40 HB1 ASP 40 85.559 -3.650 -6.950 297 H ASP 41 HN ASP 41 84.234 -3.898 -9.162 298 HA ASP 41 HA ASP 41 81.646 -4.593 -9.994 299 HB2 ASP 41 HB2 ASP 41 84.360 -5.661 -10.751 300 HB3 ASP 41 HB1 ASP 41 82.874 -6.216 -11.519 301 H GLU 42 HN GLU 42 81.926 -5.456 -7.224 302 HA GLU 42 HA GLU 42 81.353 -8.335 -7.633 303 HB2 GLU 42 HB2 GLU 42 83.051 -7.120 -5.451 304 HB3 GLU 42 HB1 GLU 42 82.356 -8.737 -5.331 305 HG2 GLU 42 HG2 GLU 42 83.506 -9.381 -7.422 306 HG3 GLU 42 HG1 GLU 42 84.209 -7.766 -7.529 307 HA PRO 43 HA PRO 43 77.575 -7.187 -5.506 308 HB2 PRO 43 HB2 PRO 43 77.215 -9.825 -4.348 309 HB3 PRO 43 HB1 PRO 43 76.337 -9.098 -5.700 310 HG2 PRO 43 HG2 PRO 43 78.329 -11.156 -5.788 311 HG3 PRO 43 HG1 PRO 43 77.433 -10.444 -7.136 312 HD2 PRO 43 HD2 PRO 43 80.213 -10.079 -6.506 313 HD3 PRO 43 HD1 PRO 43 79.287 -9.306 -7.809 314 H VAL 44 HN VAL 44 77.062 -6.510 -3.372 315 HA VAL 44 HA VAL 44 79.270 -6.806 -1.479 316 HB VAL 44 HB VAL 44 76.770 -5.195 -1.011 317 HG11 VAL 44 HG11 VAL 44 78.606 -5.718 0.770 318 HG12 VAL 44 HG12 VAL 44 78.096 -4.048 0.566 319 HG13 VAL 44 HG13 VAL 44 79.604 -4.603 -0.148 320 HG21 VAL 44 HG21 VAL 44 78.262 -3.288 -1.943 321 HG22 VAL 44 HG22 VAL 44 77.465 -4.349 -3.103 322 HG23 VAL 44 HG23 VAL 44 79.167 -4.580 -2.727 323 H ARG 45 HN ARG 45 79.003 -8.920 -0.865 324 HA ARG 45 HA ARG 45 77.224 -9.247 1.391 325 HB2 ARG 45 HB2 ARG 45 77.032 -10.961 -1.072 326 HB3 ARG 45 HB1 ARG 45 76.710 -11.655 0.520 327 HG2 ARG 45 HG2 ARG 45 75.024 -9.908 0.950 328 HG3 ARG 45 HG1 ARG 45 75.352 -9.202 -0.631 329 HD2 ARG 45 HD2 ARG 45 73.370 -10.612 -0.696 330 HD3 ARG 45 HD1 ARG 45 74.645 -11.267 -1.720 331 HE ARG 45 HE ARG 45 74.619 -12.335 0.976 332 HH11 ARG 45 HH21 ARG 45 75.509 -13.811 -1.531 333 HH12 ARG 45 HH22 ARG 45 74.230 -14.959 -1.733 334 HH21 ARG 45 HH11 ARG 45 72.063 -13.320 0.425 335 HH22 ARG 45 HH12 ARG 45 72.275 -14.679 -0.626 336 H THR 46 HN THR 46 78.835 -11.723 -0.404 337 HA THR 46 HA THR 46 80.604 -13.096 0.159 338 HB THR 46 HB THR 46 82.659 -11.951 0.321 339 HG1 THR 46 HG1 THR 46 82.829 -9.932 1.282 340 HG21 THR 46 HG21 THR 46 81.268 -11.332 -1.670 341 HG22 THR 46 HG22 THR 46 82.448 -10.101 -1.220 342 HG23 THR 46 HG23 THR 46 80.748 -9.889 -0.799 343 H SER 47 HN SER 47 82.311 -11.647 2.596 344 HA SER 47 HA SER 47 80.755 -13.007 4.729 345 HB2 SER 47 HB2 SER 47 83.763 -12.944 4.497 346 HB3 SER 47 HB1 SER 47 82.793 -13.882 5.628 347 HG SER 47 HG SER 47 81.898 -14.482 3.248 348 H GLU 48 HN GLU 48 82.927 -12.338 6.621 349 HA GLU 48 HA GLU 48 81.860 -9.946 7.644 350 HB2 GLU 48 HB2 GLU 48 83.685 -10.063 9.295 351 HB3 GLU 48 HB1 GLU 48 82.904 -11.625 9.068 352 HG2 GLU 48 HG2 GLU 48 84.711 -12.319 7.548 353 HG3 GLU 48 HG1 GLU 48 85.493 -10.753 7.753 354 H ASN 49 HN ASN 49 84.821 -10.465 5.746 355 HA ASN 49 HA ASN 49 85.895 -7.866 6.094 356 HB2 ASN 49 HB2 ASN 49 86.264 -9.922 3.912 357 HB3 ASN 49 HB1 ASN 49 87.177 -8.415 3.993 358 HD21 ASN 49 HD21 ASN 49 88.411 -11.016 4.222 359 HD22 ASN 49 HD22 ASN 49 89.049 -11.146 5.790 360 H ALA 50 HN ALA 50 83.014 -8.542 4.846 361 HA ALA 50 HA ALA 50 82.439 -6.085 3.733 362 HB1 ALA 50 HB1 ALA 50 82.329 -6.956 1.230 363 HB2 ALA 50 HB2 ALA 50 83.623 -8.028 1.771 364 HB3 ALA 50 HB3 ALA 50 83.829 -6.279 1.864 365 H GLU 51 HN GLU 51 80.251 -6.009 3.722 366 HA GLU 51 HA GLU 51 78.511 -7.875 2.633 367 HB2 GLU 51 HB2 GLU 51 79.216 -9.457 4.376 368 HB3 GLU 51 HB1 GLU 51 78.857 -8.261 5.620 369 HG2 GLU 51 HG2 GLU 51 76.489 -8.305 5.042 370 HG3 GLU 51 HG1 GLU 51 76.808 -9.374 3.679 371 H VAL 52 HN VAL 52 76.248 -7.168 2.826 372 HA VAL 52 HA VAL 52 76.096 -4.440 3.833 373 HB VAL 52 HB VAL 52 74.054 -6.153 2.399 374 HG11 VAL 52 HG11 VAL 52 73.027 -4.303 3.607 375 HG12 VAL 52 HG12 VAL 52 73.036 -3.928 1.885 376 HG13 VAL 52 HG13 VAL 52 74.219 -3.180 2.955 377 HG21 VAL 52 HG21 VAL 52 74.893 -5.379 0.370 378 HG22 VAL 52 HG22 VAL 52 76.386 -5.468 1.286 379 HG23 VAL 52 HG23 VAL 52 75.585 -3.919 1.077 380 H VAL 53 HN VAL 53 74.988 -3.787 5.519 381 HA VAL 53 HA VAL 53 73.225 -5.613 7.029 382 HB VAL 53 HB VAL 53 74.273 -4.478 9.126 383 HG11 VAL 53 HG11 VAL 53 75.779 -6.509 7.452 384 HG12 VAL 53 HG12 VAL 53 74.583 -6.844 8.704 385 HG13 VAL 53 HG13 VAL 53 76.149 -6.158 9.141 386 HG21 VAL 53 HG21 VAL 53 76.497 -3.622 8.901 387 HG22 VAL 53 HG22 VAL 53 75.560 -2.845 7.623 388 HG23 VAL 53 HG23 VAL 53 76.623 -4.199 7.239 389 H PHE 54 HN PHE 54 71.390 -4.529 7.842 390 HA PHE 54 HA PHE 54 71.399 -1.606 7.912 391 HB2 PHE 54 HB2 PHE 54 69.545 -1.330 6.383 392 HB3 PHE 54 HB1 PHE 54 70.851 -2.174 5.552 393 HD1 PHE 54 HD2 PHE 54 70.704 -4.607 5.125 394 HD2 PHE 54 HD1 PHE 54 67.455 -2.412 6.876 395 HE1 PHE 54 HE2 PHE 54 69.166 -6.484 4.619 396 HE2 PHE 54 HE1 PHE 54 65.913 -4.288 6.373 397 HZ PHE 54 HZ PHE 54 66.767 -6.325 5.243 398 H PHE 55 HN PHE 55 69.723 -0.678 9.076 399 HA PHE 55 HA PHE 55 67.991 -2.555 10.598 400 HB2 PHE 55 HB2 PHE 55 69.048 0.055 11.680 401 HB3 PHE 55 HB1 PHE 55 68.377 -1.315 12.565 402 HD1 PHE 55 HD1 PHE 55 69.649 -3.620 12.184 403 HD2 PHE 55 HD2 PHE 55 71.374 0.267 11.566 404 HE1 PHE 55 HE1 PHE 55 71.918 -4.594 12.388 405 HE2 PHE 55 HE2 PHE 55 73.639 -0.710 11.774 406 HZ PHE 55 HZ PHE 55 73.913 -3.131 12.179 407 H GLU 56 HN GLU 56 66.314 -1.076 11.845 408 HA GLU 56 HA GLU 56 64.368 0.104 11.673 409 HB2 GLU 56 HB2 GLU 56 66.199 1.853 10.034 410 HB3 GLU 56 HB1 GLU 56 64.563 2.320 10.508 411 HG2 GLU 56 HG2 GLU 56 65.145 2.071 12.870 412 HG3 GLU 56 HG1 GLU 56 66.762 1.516 12.435 413 H ASN 57 HN ASN 57 65.027 -1.971 9.664 414 HA ASN 57 HA ASN 57 63.976 -2.976 7.897 415 HB2 ASN 57 HB2 ASN 57 61.990 -0.701 7.987 416 HB3 ASN 57 HB1 ASN 57 61.760 -2.302 7.294 417 HD21 ASN 57 HD21 ASN 57 63.062 -3.781 9.456 418 HD22 ASN 57 HD22 ASN 57 62.045 -3.674 10.810 419 H GLY 58 HN GLY 58 66.119 -1.050 7.391 420 HA2 GLY 58 HA2 GLY 58 67.112 -0.668 5.271 421 HA3 GLY 58 HA1 GLY 58 65.515 -0.563 4.552 422 H LEU 59 HN LEU 59 65.161 1.282 7.197 423 HA LEU 59 HA LEU 59 65.193 3.720 5.774 424 HB2 LEU 59 HB2 LEU 59 63.951 3.064 7.986 425 HB3 LEU 59 HB1 LEU 59 65.427 3.611 8.771 426 HG LEU 59 HG LEU 59 65.127 5.748 7.250 427 HD11 LEU 59 HD11 LEU 59 62.319 4.596 7.364 428 HD12 LEU 59 HD12 LEU 59 63.252 4.956 5.914 429 HD13 LEU 59 HD13 LEU 59 62.689 6.267 6.946 430 HD21 LEU 59 HD21 LEU 59 63.469 5.101 9.705 431 HD22 LEU 59 HD22 LEU 59 63.608 6.725 9.032 432 HD23 LEU 59 HD23 LEU 59 65.040 5.903 9.650 433 H ARG 60 HN ARG 60 67.622 2.001 7.534 434 HA ARG 60 HA ARG 60 69.592 4.135 6.925 435 HB2 ARG 60 HB2 ARG 60 68.834 4.050 9.389 436 HB3 ARG 60 HB1 ARG 60 69.679 2.509 9.468 437 HG2 ARG 60 HG2 ARG 60 71.384 3.950 10.129 438 HG3 ARG 60 HG1 ARG 60 71.674 3.893 8.391 439 HD2 ARG 60 HD2 ARG 60 70.350 5.970 8.112 440 HD3 ARG 60 HD1 ARG 60 70.074 6.020 9.849 441 HE ARG 60 HE ARG 60 72.852 5.891 9.385 442 HH11 ARG 60 HH11 ARG 60 70.346 7.994 10.167 443 HH12 ARG 60 HH12 ARG 60 71.187 9.448 9.744 444 HH21 ARG 60 HH21 ARG 60 73.854 7.786 8.282 445 HH22 ARG 60 HH22 ARG 60 73.176 9.330 8.680 446 H HIS 61 HN HIS 61 70.220 2.853 5.119 447 HA HIS 61 HA HIS 61 71.067 0.130 5.479 448 HB2 HIS 61 HB2 HIS 61 71.230 2.070 3.182 449 HB3 HIS 61 HB1 HIS 61 71.990 0.481 3.104 450 HD1 HIS 61 HD1 HIS 61 68.668 2.166 3.019 451 HD2 HIS 61 HD2 HIS 61 70.148 -1.728 3.155 452 HE1 HIS 61 HE1 HIS 61 66.723 0.638 2.469 453 H LEU 62 HN LEU 62 72.798 -0.305 6.674 454 HA LEU 62 HA LEU 62 75.214 1.366 6.523 455 HB2 LEU 62 HB2 LEU 62 74.387 -0.932 8.313 456 HB3 LEU 62 HB1 LEU 62 76.063 -0.408 8.235 457 HG LEU 62 HG LEU 62 74.612 0.578 10.096 458 HD11 LEU 62 HD11 LEU 62 75.517 3.034 9.343 459 HD12 LEU 62 HD12 LEU 62 76.482 2.006 8.287 460 HD13 LEU 62 HD13 LEU 62 76.536 1.774 10.028 461 HD21 LEU 62 HD21 LEU 62 73.589 2.347 7.866 462 HD22 LEU 62 HD22 LEU 62 73.091 2.333 9.560 463 HD23 LEU 62 HD23 LEU 62 72.689 0.976 8.513 464 H LEU 63 HN LEU 63 77.255 0.509 5.921 465 HA LEU 63 HA LEU 63 77.356 -2.168 4.727 466 HB2 LEU 63 HB2 LEU 63 76.668 -0.448 2.948 467 HB3 LEU 63 HB1 LEU 63 78.274 0.236 3.143 468 HG LEU 63 HG LEU 63 77.840 -2.701 2.538 469 HD11 LEU 63 HD11 LEU 63 78.553 -1.831 0.135 470 HD12 LEU 63 HD12 LEU 63 77.804 -0.338 0.692 471 HD13 LEU 63 HD13 LEU 63 76.863 -1.827 0.635 472 HD21 LEU 63 HD21 LEU 63 80.199 -0.815 2.511 473 HD22 LEU 63 HD22 LEU 63 80.198 -2.233 1.464 474 HD23 LEU 63 HD23 LEU 63 80.075 -2.427 3.209 475 H LEU 64 HN LEU 64 79.058 -3.012 5.885 476 HA LEU 64 HA LEU 64 81.382 -1.248 6.418 477 HB2 LEU 64 HB2 LEU 64 80.030 -2.210 8.324 478 HB3 LEU 64 HB1 LEU 64 80.577 -3.801 7.824 479 HG LEU 64 HG LEU 64 82.607 -1.625 8.343 480 HD11 LEU 64 HD11 LEU 64 81.148 -1.637 10.319 481 HD12 LEU 64 HD12 LEU 64 82.715 -2.347 10.710 482 HD13 LEU 64 HD13 LEU 64 81.315 -3.387 10.446 483 HD21 LEU 64 HD21 LEU 64 82.585 -4.657 8.419 484 HD22 LEU 64 HD22 LEU 64 83.855 -3.732 9.212 485 HD23 LEU 64 HD23 LEU 64 83.626 -3.592 7.477 486 H LEU 65 HN LEU 65 83.327 -1.742 5.604 487 HA LEU 65 HA LEU 65 83.876 -4.507 4.707 488 HB2 LEU 65 HB2 LEU 65 85.100 -3.519 2.718 489 HB3 LEU 65 HB1 LEU 65 83.343 -3.488 2.627 490 HG LEU 65 HG LEU 65 84.674 -1.079 3.830 491 HD11 LEU 65 HD11 LEU 65 86.100 -1.571 1.871 492 HD12 LEU 65 HD12 LEU 65 85.144 -0.108 1.630 493 HD13 LEU 65 HD13 LEU 65 84.663 -1.614 0.849 494 HD21 LEU 65 HD21 LEU 65 82.365 -1.492 1.905 495 HD22 LEU 65 HD22 LEU 65 82.876 0.069 2.545 496 HD23 LEU 65 HD23 LEU 65 82.237 -1.162 3.633 497 H LYS 66 HN LYS 66 85.755 -5.221 5.609 498 HA LYS 66 HA LYS 66 87.584 -3.241 6.764 499 HB2 LYS 66 HB2 LYS 66 87.371 -6.235 7.184 500 HB3 LYS 66 HB1 LYS 66 88.401 -5.129 8.088 501 HG2 LYS 66 HG2 LYS 66 86.406 -3.909 8.880 502 HG3 LYS 66 HG1 LYS 66 85.376 -5.050 8.006 503 HD2 LYS 66 HD2 LYS 66 86.372 -6.915 9.320 504 HD3 LYS 66 HD1 LYS 66 87.315 -5.738 10.234 505 HE2 LYS 66 HE2 LYS 66 85.209 -4.648 10.963 506 HE3 LYS 66 HE1 LYS 66 84.292 -5.884 10.096 507 HZ1 LYS 66 HZ1 LYS 66 84.589 -6.353 12.491 508 HZ2 LYS 66 HZ2 LYS 66 86.265 -6.469 12.235 509 HZ3 LYS 66 HZ3 LYS 66 85.209 -7.569 11.484 510 H ASN 67 HN ASN 67 89.757 -5.010 6.994 511 HA ASN 67 HA ASN 67 91.793 -5.277 5.879 512 HB2 ASN 67 HB2 ASN 67 89.803 -6.854 4.244 513 HB3 ASN 67 HB1 ASN 67 91.546 -6.962 4.006 514 HD21 ASN 67 HD21 ASN 67 90.055 -9.243 4.862 515 HD22 ASN 67 HD22 ASN 67 90.496 -9.602 6.463 516 H LEU 68 HN LEU 68 90.860 -2.798 5.273 517 HA LEU 68 HA LEU 68 90.459 -2.237 2.556 518 HB2 LEU 68 HB2 LEU 68 91.713 -0.523 4.700 519 HB3 LEU 68 HB1 LEU 68 91.241 0.064 3.108 520 HG LEU 68 HG LEU 68 89.357 -1.225 5.104 521 HD11 LEU 68 HD11 LEU 68 89.482 1.681 4.263 522 HD12 LEU 68 HD12 LEU 68 90.321 1.072 5.689 523 HD13 LEU 68 HD13 LEU 68 88.567 0.974 5.589 524 HD21 LEU 68 HD21 LEU 68 88.304 -1.582 3.049 525 HD22 LEU 68 HD22 LEU 68 89.060 -0.180 2.291 526 HD23 LEU 68 HD23 LEU 68 87.715 0.036 3.410 527 H ARG 69 HN ARG 69 91.753 -1.685 0.887 528 HA ARG 69 HA ARG 69 94.667 -1.813 1.216 529 HB2 ARG 69 HB2 ARG 69 93.653 -3.226 -1.202 530 HB3 ARG 69 HB1 ARG 69 94.996 -3.643 -0.140 531 HG2 ARG 69 HG2 ARG 69 93.318 -4.407 1.570 532 HG3 ARG 69 HG1 ARG 69 92.048 -4.118 0.379 533 HD2 ARG 69 HD2 ARG 69 94.339 -6.083 0.184 534 HD3 ARG 69 HD1 ARG 69 92.619 -6.448 0.256 535 HE ARG 69 HE ARG 69 93.265 -4.795 -1.998 536 HH11 ARG 69 HH11 ARG 69 94.778 -7.640 -1.367 537 HH12 ARG 69 HH12 ARG 69 94.054 -8.567 -2.638 538 HH21 ARG 69 HH21 ARG 69 91.696 -6.143 -3.411 539 HH22 ARG 69 HH22 ARG 69 92.308 -7.714 -3.802 540 HA PRO 70 HA PRO 70 94.509 1.705 -1.469 541 HB2 PRO 70 HB2 PRO 70 96.588 0.860 -3.298 542 HB3 PRO 70 HB1 PRO 70 96.726 2.010 -1.961 543 HG2 PRO 70 HG2 PRO 70 97.611 -0.765 -2.093 544 HG3 PRO 70 HG1 PRO 70 98.025 0.483 -0.911 545 HD2 PRO 70 HD2 PRO 70 96.380 -1.726 -0.405 546 HD3 PRO 70 HD1 PRO 70 96.429 -0.247 0.576 547 H GLN 71 HN GLN 71 94.999 -1.437 -2.960 548 HA GLN 71 HA GLN 71 93.972 -0.988 -5.503 549 HB2 GLN 71 HB2 GLN 71 95.120 -3.051 -4.904 550 HB3 GLN 71 HB1 GLN 71 93.812 -3.486 -3.803 551 HG2 GLN 71 HG2 GLN 71 92.250 -3.712 -5.624 552 HG3 GLN 71 HG1 GLN 71 93.404 -3.030 -6.771 553 HE21 GLN 71 HE21 GLN 71 92.317 -5.603 -7.253 554 HE22 GLN 71 HE22 GLN 71 93.541 -6.762 -7.051 555 H ASP 72 HN ASP 72 92.182 -2.250 -2.634 556 HA ASP 72 HA ASP 72 89.720 -2.510 -3.769 557 HB2 ASP 72 HB2 ASP 72 90.297 -3.239 -1.502 558 HB3 ASP 72 HB1 ASP 72 90.342 -1.559 -0.971 559 H SER 73 HN SER 73 91.100 0.621 -2.507 560 HA SER 73 HA SER 73 88.796 2.083 -2.468 561 HB2 SER 73 HB2 SER 73 90.136 3.988 -2.598 562 HB3 SER 73 HB1 SER 73 91.273 2.772 -2.023 563 HG SER 73 HG SER 73 91.187 4.138 -4.392 564 H CYS 74 HN CYS 74 87.372 2.838 -3.888 565 HA CYS 74 HA CYS 74 87.961 3.323 -6.635 566 HB2 CYS 74 HB2 CYS 74 87.859 0.751 -6.409 567 HB3 CYS 74 HB1 CYS 74 86.121 0.976 -6.220 568 HG CYS 74 HG CYS 74 86.535 0.732 -8.769 569 H ARG 75 HN ARG 75 85.140 2.287 -7.222 570 HA ARG 75 HA ARG 75 83.716 4.716 -6.332 571 HB2 ARG 75 HB2 ARG 75 83.899 4.453 -8.735 572 HB3 ARG 75 HB1 ARG 75 83.261 2.814 -8.641 573 HG2 ARG 75 HG2 ARG 75 81.103 3.703 -7.796 574 HG3 ARG 75 HG1 ARG 75 81.752 5.342 -7.899 575 HD2 ARG 75 HD2 ARG 75 82.158 4.949 -10.337 576 HD3 ARG 75 HD1 ARG 75 81.351 3.392 -10.175 577 HE ARG 75 HE ARG 75 79.749 5.604 -9.237 578 HH11 ARG 75 HH21 ARG 75 81.025 4.369 -12.165 579 HH12 ARG 75 HH22 ARG 75 79.534 4.461 -13.039 580 HH21 ARG 75 HH11 ARG 75 77.677 5.458 -10.286 581 HH22 ARG 75 HH12 ARG 75 77.638 5.079 -11.976 582 H VAL 76 HN VAL 76 81.865 4.621 -5.205 583 HA VAL 76 HA VAL 76 80.730 1.955 -4.552 584 HB VAL 76 HB VAL 76 80.643 4.444 -2.829 585 HG11 VAL 76 HG11 VAL 76 80.100 1.555 -2.107 586 HG12 VAL 76 HG12 VAL 76 78.831 2.680 -2.591 587 HG13 VAL 76 HG13 VAL 76 79.772 2.987 -1.131 588 HG21 VAL 76 HG21 VAL 76 82.437 2.005 -2.656 589 HG22 VAL 76 HG22 VAL 76 82.307 3.246 -1.410 590 HG23 VAL 76 HG23 VAL 76 82.953 3.656 -2.998 591 H THR 77 HN THR 77 78.740 1.679 -5.423 592 HA THR 77 HA THR 77 77.056 4.088 -5.884 593 HB THR 77 HB THR 77 77.357 1.718 -7.738 594 HG1 THR 77 HG1 THR 77 78.340 4.363 -7.740 595 HG21 THR 77 HG21 THR 77 75.121 2.558 -7.860 596 HG22 THR 77 HG22 THR 77 75.991 3.239 -9.235 597 HG23 THR 77 HG23 THR 77 75.679 4.230 -7.810 598 H PHE 78 HN PHE 78 75.083 3.999 -5.133 599 HA PHE 78 HA PHE 78 73.834 1.382 -4.489 600 HB2 PHE 78 HB2 PHE 78 74.454 2.372 -2.396 601 HB3 PHE 78 HB1 PHE 78 73.885 3.960 -2.904 602 HD1 PHE 78 HD1 PHE 78 72.521 0.459 -2.724 603 HD2 PHE 78 HD2 PHE 78 71.854 4.636 -1.966 604 HE1 PHE 78 HE1 PHE 78 70.296 -0.069 -1.762 605 HE2 PHE 78 HE2 PHE 78 69.638 4.110 -1.010 606 HZ PHE 78 HZ PHE 78 68.854 1.759 -0.903 607 H LEU 79 HN LEU 79 72.180 1.112 -5.883 608 HA LEU 79 HA LEU 79 70.749 3.507 -6.870 609 HB2 LEU 79 HB2 LEU 79 71.837 2.298 -8.623 610 HB3 LEU 79 HB1 LEU 79 71.177 0.765 -8.060 611 HG LEU 79 HG LEU 79 68.939 1.410 -8.697 612 HD11 LEU 79 HD11 LEU 79 68.696 3.711 -9.870 613 HD12 LEU 79 HD12 LEU 79 70.201 4.128 -9.051 614 HD13 LEU 79 HD13 LEU 79 68.777 3.682 -8.110 615 HD21 LEU 79 HD21 LEU 79 70.303 0.570 -10.524 616 HD22 LEU 79 HD22 LEU 79 70.977 2.174 -10.804 617 HD23 LEU 79 HD23 LEU 79 69.274 1.864 -11.137 618 H ALA 80 HN ALA 80 69.155 3.776 -5.367 619 HA ALA 80 HA ALA 80 67.283 1.564 -4.831 620 HB1 ALA 80 HB1 ALA 80 68.185 3.112 -2.997 621 HB2 ALA 80 HB2 ALA 80 66.436 2.897 -3.054 622 HB3 ALA 80 HB3 ALA 80 67.166 4.364 -3.703 623 H GLY 81 HN GLY 81 66.423 1.548 -7.024 624 HA2 GLY 81 HA2 GLY 81 64.962 2.188 -8.700 625 HA3 GLY 81 HA1 GLY 81 63.998 2.816 -7.365 626 H ASP 82 HN ASP 82 63.259 4.648 -8.463 627 HA ASP 82 HA ASP 82 64.439 6.390 -10.116 628 HB2 ASP 82 HB2 ASP 82 62.522 6.923 -7.838 629 HB3 ASP 82 HB1 ASP 82 62.926 8.132 -9.058 630 H MET 83 HN MET 83 65.982 5.765 -7.289 631 HA MET 83 HA MET 83 67.191 8.470 -7.182 632 HB2 MET 83 HB2 MET 83 66.806 6.542 -4.877 633 HB3 MET 83 HB1 MET 83 67.612 8.108 -4.795 634 HG2 MET 83 HG2 MET 83 65.503 8.806 -4.154 635 HG3 MET 83 HG1 MET 83 65.257 8.901 -5.895 636 HE1 MET 83 HE1 MET 83 63.708 7.234 -2.601 637 HE2 MET 83 HE2 MET 83 65.395 6.821 -2.889 638 HE3 MET 83 HE3 MET 83 64.159 5.571 -3.006 639 H VAL 84 HN VAL 84 69.290 8.530 -7.608 640 HA VAL 84 HA VAL 84 70.913 6.054 -7.345 641 HB VAL 84 HB VAL 84 70.433 6.357 -9.706 642 HG11 VAL 84 HG11 VAL 84 70.805 8.401 -10.879 643 HG12 VAL 84 HG12 VAL 84 71.631 9.124 -9.500 644 HG13 VAL 84 HG13 VAL 84 69.893 8.832 -9.433 645 HG21 VAL 84 HG21 VAL 84 72.769 5.738 -8.990 646 HG22 VAL 84 HG22 VAL 84 73.216 7.435 -9.154 647 HG23 VAL 84 HG23 VAL 84 72.687 6.524 -10.567 648 H THR 85 HN THR 85 72.801 6.313 -6.294 649 HA THR 85 HA THR 85 73.896 9.043 -5.933 650 HB THR 85 HB THR 85 73.886 8.909 -3.602 651 HG1 THR 85 HG1 THR 85 74.341 7.104 -2.603 652 HG21 THR 85 HG21 THR 85 71.675 8.123 -2.909 653 HG22 THR 85 HG22 THR 85 71.550 7.096 -4.326 654 HG23 THR 85 HG23 THR 85 71.534 8.850 -4.506 655 H SER 86 HN SER 86 76.155 9.119 -5.565 656 HA SER 86 HA SER 86 77.692 6.644 -5.495 657 HB2 SER 86 HB2 SER 86 77.360 6.766 -7.865 658 HB3 SER 86 HB1 SER 86 77.727 8.489 -7.891 659 HG SER 86 HG SER 86 79.556 6.537 -6.964 660 H ALA 87 HN ALA 87 79.596 6.918 -4.444 661 HA ALA 87 HA ALA 87 80.725 9.647 -4.203 662 HB1 ALA 87 HB1 ALA 87 80.415 7.761 -1.859 663 HB2 ALA 87 HB2 ALA 87 79.282 9.068 -2.209 664 HB3 ALA 87 HB3 ALA 87 80.965 9.437 -1.831 665 H PHE 88 HN PHE 88 82.961 9.721 -3.799 666 HA PHE 88 HA PHE 88 84.422 7.499 -4.879 667 HB2 PHE 88 HB2 PHE 88 85.426 10.107 -3.713 668 HB3 PHE 88 HB1 PHE 88 86.378 8.962 -4.661 669 HD1 PHE 88 HD2 PHE 88 85.961 8.657 -7.067 670 HD2 PHE 88 HD1 PHE 88 83.722 11.499 -4.754 671 HE1 PHE 88 HE2 PHE 88 85.150 9.715 -9.156 672 HE2 PHE 88 HE1 PHE 88 82.912 12.558 -6.845 673 HZ PHE 88 HZ PHE 88 83.624 11.665 -9.045 674 H LEU 89 HN LEU 89 86.320 6.610 -3.910 675 HA LEU 89 HA LEU 89 86.286 6.412 -0.955 676 HB2 LEU 89 HB2 LEU 89 85.217 4.398 -1.817 677 HB3 LEU 89 HB1 LEU 89 86.532 4.146 -2.960 678 HG LEU 89 HG LEU 89 88.107 3.811 -1.090 679 HD11 LEU 89 HD11 LEU 89 86.966 3.490 1.228 680 HD12 LEU 89 HD12 LEU 89 85.674 4.479 0.555 681 HD13 LEU 89 HD13 LEU 89 87.302 5.131 0.686 682 HD21 LEU 89 HD21 LEU 89 87.429 1.621 -0.582 683 HD22 LEU 89 HD22 LEU 89 86.506 1.955 -2.048 684 HD23 LEU 89 HD23 LEU 89 85.726 2.066 -0.470 685 H THR 90 HN THR 90 88.344 6.411 -0.034 686 HA THR 90 HA THR 90 90.670 6.256 -1.842 687 HB THR 90 HB THR 90 90.330 8.523 0.124 688 HG1 THR 90 HG1 THR 90 89.181 8.171 -2.235 689 HG21 THR 90 HG21 THR 90 92.210 9.468 -1.228 690 HG22 THR 90 HG22 THR 90 92.278 7.951 -2.122 691 HG23 THR 90 HG23 THR 90 92.642 7.973 -0.398 692 H VAL 91 HN VAL 91 92.236 5.074 -1.014 693 HA VAL 91 HA VAL 91 92.535 4.871 1.925 694 HB VAL 91 HB VAL 91 92.586 2.560 -0.039 695 HG11 VAL 91 HG11 VAL 91 92.930 1.152 1.926 696 HG12 VAL 91 HG12 VAL 91 92.912 2.566 2.979 697 HG13 VAL 91 HG13 VAL 91 94.228 2.336 1.830 698 HG21 VAL 91 HG21 VAL 91 90.636 1.795 1.371 699 HG22 VAL 91 HG22 VAL 91 90.311 3.236 0.407 700 HG23 VAL 91 HG23 VAL 91 90.642 3.383 2.134 701 H ARG 92 HN ARG 92 94.564 5.551 2.429 702 HA ARG 92 HA ARG 92 96.594 5.601 0.350 703 HB2 ARG 92 HB2 ARG 92 96.600 6.623 3.189 704 HB3 ARG 92 HB1 ARG 92 97.953 6.798 2.071 705 HG2 ARG 92 HG2 ARG 92 96.547 8.052 0.512 706 HG3 ARG 92 HG1 ARG 92 95.145 7.820 1.557 707 HD2 ARG 92 HD2 ARG 92 96.049 10.037 1.962 708 HD3 ARG 92 HD1 ARG 92 96.361 9.037 3.376 709 HE ARG 92 HE ARG 92 98.566 8.933 1.569 710 HH11 ARG 92 HH11 ARG 92 97.299 11.825 2.459 711 HH12 ARG 92 HH12 ARG 92 98.581 12.314 3.515 712 HH21 ARG 92 HH21 ARG 92 100.091 9.198 3.574 713 HH22 ARG 92 HH22 ARG 92 100.165 10.835 4.137 714 H GLY 93 HN GLY 93 98.198 4.257 0.078 715 HA2 GLY 93 HA2 GLY 93 98.463 1.921 1.737 716 HA3 GLY 93 HA1 GLY 93 99.436 2.322 0.326 717 H GLY 94 HN GLY 94 100.640 1.256 2.567 718 HA2 GLY 94 HA2 GLY 94 101.745 3.406 4.193 719 HA3 GLY 94 HA1 GLY 94 102.107 1.690 4.336 720 H LEU 95 HN LEU 95 103.398 0.759 2.475 721 HA LEU 95 HA LEU 95 105.710 2.472 2.017 722 HB2 LEU 95 HB2 LEU 95 105.117 -0.448 1.565 723 HB3 LEU 95 HB1 LEU 95 106.555 0.296 0.878 724 HG LEU 95 HG LEU 95 106.865 -0.829 3.145 725 HD11 LEU 95 HD11 LEU 95 108.279 1.136 2.137 726 HD12 LEU 95 HD12 LEU 95 108.488 0.702 3.829 727 HD13 LEU 95 HD13 LEU 95 107.514 2.104 3.395 728 HD21 LEU 95 HD21 LEU 95 106.045 0.275 5.120 729 HD22 LEU 95 HD22 LEU 95 104.665 0.024 4.053 730 HD23 LEU 95 HD23 LEU 95 105.408 1.619 4.178 731 H GLU 96 HN GLU 96 106.696 2.580 -0.169 732 HA GLU 96 HA GLU 96 104.698 3.388 -2.091 733 HB2 GLU 96 HB2 GLU 96 107.719 3.270 -2.239 734 HB3 GLU 96 HB1 GLU 96 106.686 3.939 -3.503 735 HG2 GLU 96 HG2 GLU 96 105.789 5.592 -1.925 736 HG3 GLU 96 HG1 GLU 96 106.768 4.905 -0.630 737 H HIS 97 HN HIS 97 106.417 0.521 -1.385 738 HA HIS 97 HA HIS 97 106.086 -0.595 -4.084 739 HB2 HIS 97 HB2 HIS 97 108.196 -1.096 -3.013 740 HB3 HIS 97 HB1 HIS 97 107.378 -1.693 -1.572 741 HD1 HIS 97 HD1 HIS 97 107.824 -2.526 -5.247 742 HD2 HIS 97 HD2 HIS 97 106.558 -4.366 -1.725 743 HE1 HIS 97 HE1 HIS 97 107.510 -4.981 -5.792 744 H HIS 98 HN HIS 98 104.389 -1.823 -4.625 745 HA HIS 98 HA HIS 98 102.385 -2.467 -2.602 746 HB2 HIS 98 HB2 HIS 98 102.435 -2.687 -5.615 747 HB3 HIS 98 HB1 HIS 98 101.090 -3.262 -4.628 748 HD1 HIS 98 HD1 HIS 98 100.156 -1.319 -2.870 749 HD2 HIS 98 HD2 HIS 98 102.181 -0.014 -6.271 750 HE1 HIS 98 HE1 HIS 98 99.548 1.118 -3.173 751 H HIS 99 HN HIS 99 102.132 -4.371 -1.685 752 HA HIS 99 HA HIS 99 103.222 -6.806 -2.973 753 HB2 HIS 99 HB2 HIS 99 104.768 -5.924 -1.184 754 HB3 HIS 99 HB1 HIS 99 103.465 -6.175 -0.023 755 HD1 HIS 99 HD1 HIS 99 102.628 -8.688 0.280 756 HD2 HIS 99 HD2 HIS 99 106.172 -8.250 -1.868 757 HE1 HIS 99 HE1 HIS 99 103.714 -10.974 0.217 758 H HIS 100 HN HIS 100 101.469 -8.020 -3.370 759 HA HIS 100 HA HIS 100 99.375 -8.238 -1.269 760 HB2 HIS 100 HB2 HIS 100 99.075 -8.362 -4.279 761 HB3 HIS 100 HB1 HIS 100 97.789 -8.705 -3.121 762 HD1 HIS 100 HD1 HIS 100 97.239 -6.649 -1.413 763 HD2 HIS 100 HD2 HIS 100 99.330 -5.667 -4.884 764 HE1 HIS 100 HE1 HIS 100 97.024 -4.138 -1.696 765 H HIS 101 HN HIS 101 98.628 -10.263 -0.768 766 HA HIS 101 HA HIS 101 100.394 -12.447 -1.244 767 HB2 HIS 101 HB2 HIS 101 97.607 -12.408 -0.063 768 HB3 HIS 101 HB1 HIS 101 98.725 -13.770 0.005 769 HD1 HIS 101 HD1 HIS 101 101.333 -12.527 0.763 770 HD2 HIS 101 HD2 HIS 101 97.736 -11.253 2.439 771 HE1 HIS 101 HE1 HIS 101 101.924 -11.403 2.954 772 H HIS 102 HN HIS 102 99.399 -14.631 -1.920 773 HA HIS 102 HA HIS 102 98.445 -14.326 -4.643 774 HB2 HIS 102 HB2 HIS 102 98.675 -16.825 -4.668 775 HB3 HIS 102 HB1 HIS 102 100.161 -15.972 -4.247 776 HD1 HIS 102 HD1 HIS 102 100.947 -16.092 -1.759 777 HD2 HIS 102 HD2 HIS 102 97.520 -18.327 -2.556 778 HE1 HIS 102 HE1 HIS 102 100.595 -17.603 0.245 Start of MODEL 17 1 H1 THR 1 HT1 THR 1 54.530 0.058 -4.478 2 H2 THR 1 HT2 THR 1 56.050 -0.679 -4.660 3 H3 THR 1 HT3 THR 1 55.415 0.283 -5.907 4 HA THR 1 HA THR 1 56.664 1.078 -3.387 5 HB THR 1 HB THR 1 56.604 2.594 -5.998 6 HG1 THR 1 HG1 THR 1 57.971 0.205 -5.389 7 HG21 THR 1 HG21 THR 1 58.739 3.379 -5.289 8 HG22 THR 1 HG22 THR 1 58.890 2.106 -4.079 9 HG23 THR 1 HG23 THR 1 57.730 3.413 -3.845 10 H ALA 2 HN ALA 2 56.158 3.064 -2.393 11 HA ALA 2 HA ALA 2 53.656 4.399 -3.246 12 HB1 ALA 2 HB1 ALA 2 53.031 4.540 -0.802 13 HB2 ALA 2 HB2 ALA 2 54.306 3.363 -0.478 14 HB3 ALA 2 HB3 ALA 2 52.936 2.922 -1.499 15 H LYS 3 HN LYS 3 56.790 4.523 -1.722 16 HA LYS 3 HA LYS 3 56.998 7.332 -2.223 17 HB2 LYS 3 HB2 LYS 3 55.655 7.519 -0.211 18 HB3 LYS 3 HB1 LYS 3 56.718 6.408 0.647 19 HG2 LYS 3 HG2 LYS 3 57.187 8.747 1.275 20 HG3 LYS 3 HG1 LYS 3 58.577 8.039 0.465 21 HD2 LYS 3 HD2 LYS 3 58.131 9.209 -1.558 22 HD3 LYS 3 HD1 LYS 3 56.491 9.620 -1.054 23 HE2 LYS 3 HE2 LYS 3 57.480 11.011 0.786 24 HE3 LYS 3 HE1 LYS 3 59.078 10.679 0.118 25 HZ1 LYS 3 HZ1 LYS 3 58.270 11.617 -2.011 26 HZ2 LYS 3 HZ2 LYS 3 58.315 12.751 -0.746 27 HZ3 LYS 3 HZ3 LYS 3 56.835 12.075 -1.232 28 H ASN 4 HN ASN 4 59.055 7.583 -2.820 29 HA ASN 4 HA ASN 4 61.209 6.337 -1.261 30 HB2 ASN 4 HB2 ASN 4 62.340 5.731 -3.439 31 HB3 ASN 4 HB1 ASN 4 60.971 4.723 -2.984 32 HD21 ASN 4 HD21 ASN 4 61.214 4.429 -5.551 33 HD22 ASN 4 HD22 ASN 4 60.242 5.470 -6.478 34 H THR 5 HN THR 5 62.321 8.123 -0.570 35 HA THR 5 HA THR 5 63.252 9.999 -2.637 36 HB THR 5 HB THR 5 61.918 10.999 -0.116 37 HG1 THR 5 HG1 THR 5 60.583 11.658 -2.285 38 HG21 THR 5 HG21 THR 5 62.135 13.154 -1.114 39 HG22 THR 5 HG22 THR 5 62.571 12.464 -2.678 40 HG23 THR 5 HG23 THR 5 63.703 12.374 -1.330 41 H VAL 6 HN VAL 6 65.374 9.847 -2.386 42 HA VAL 6 HA VAL 6 66.748 8.989 -0.113 43 HB VAL 6 HB VAL 6 67.743 10.882 -2.266 44 HG11 VAL 6 HG11 VAL 6 69.277 10.871 -0.394 45 HG12 VAL 6 HG12 VAL 6 69.968 9.870 -1.669 46 HG13 VAL 6 HG13 VAL 6 69.192 9.113 -0.278 47 HG21 VAL 6 HG21 VAL 6 68.687 8.708 -3.196 48 HG22 VAL 6 HG22 VAL 6 66.943 8.912 -3.331 49 HG23 VAL 6 HG23 VAL 6 67.614 7.871 -2.072 50 H VAL 7 HN VAL 7 67.243 9.886 1.759 51 HA VAL 7 HA VAL 7 66.637 12.708 2.256 52 HB VAL 7 HB VAL 7 67.626 10.537 4.133 53 HG11 VAL 7 HG11 VAL 7 66.877 12.079 5.898 54 HG12 VAL 7 HG12 VAL 7 66.408 13.262 4.677 55 HG13 VAL 7 HG13 VAL 7 68.108 12.842 4.892 56 HG21 VAL 7 HG21 VAL 7 64.818 11.642 3.951 57 HG22 VAL 7 HG22 VAL 7 65.364 10.176 4.761 58 HG23 VAL 7 HG23 VAL 7 65.313 10.241 2.998 59 H ARG 8 HN ARG 8 69.208 10.514 1.708 60 HA ARG 8 HA ARG 8 71.152 12.551 1.333 61 HB2 ARG 8 HB2 ARG 8 71.568 12.642 3.642 62 HB3 ARG 8 HB1 ARG 8 71.221 10.929 3.870 63 HG2 ARG 8 HG2 ARG 8 73.308 10.276 2.891 64 HG3 ARG 8 HG1 ARG 8 73.613 11.894 2.264 65 HD2 ARG 8 HD2 ARG 8 73.399 11.204 5.212 66 HD3 ARG 8 HD1 ARG 8 74.926 11.305 4.339 67 HE ARG 8 HE ARG 8 74.186 13.710 3.831 68 HH11 ARG 8 HH11 ARG 8 73.801 11.973 6.781 69 HH12 ARG 8 HH12 ARG 8 73.389 13.368 7.719 70 HH21 ARG 8 HH21 ARG 8 73.435 15.530 5.013 71 HH22 ARG 8 HH22 ARG 8 73.183 15.380 6.719 72 H GLY 9 HN GLY 9 72.727 11.827 0.039 73 HA2 GLY 9 HA2 GLY 9 72.606 9.040 -0.843 74 HA3 GLY 9 HA1 GLY 9 73.400 10.368 -1.686 75 H LEU 10 HN LEU 10 75.052 8.446 -1.611 76 HA LEU 10 HA LEU 10 76.460 7.981 0.807 77 HB2 LEU 10 HB2 LEU 10 77.298 7.689 -2.090 78 HB3 LEU 10 HB1 LEU 10 78.219 7.060 -0.721 79 HG LEU 10 HG LEU 10 75.295 6.344 -0.970 80 HD11 LEU 10 HD11 LEU 10 75.950 4.333 -2.291 81 HD12 LEU 10 HD12 LEU 10 77.577 4.998 -2.456 82 HD13 LEU 10 HD13 LEU 10 76.206 5.830 -3.187 83 HD21 LEU 10 HD21 LEU 10 77.711 4.788 -0.002 84 HD22 LEU 10 HD22 LEU 10 76.021 4.322 0.182 85 HD23 LEU 10 HD23 LEU 10 76.645 5.724 1.045 86 H GLU 11 HN GLU 11 78.835 8.653 1.085 87 HA GLU 11 HA GLU 11 79.370 11.356 0.023 88 HB2 GLU 11 HB2 GLU 11 79.409 10.557 2.946 89 HB3 GLU 11 HB1 GLU 11 80.118 12.042 2.315 90 HG2 GLU 11 HG2 GLU 11 77.208 11.266 1.959 91 HG3 GLU 11 HG1 GLU 11 77.796 12.346 3.223 92 H ASN 12 HN ASN 12 81.652 12.002 0.498 93 HA ASN 12 HA ASN 12 83.450 10.037 -0.406 94 HB2 ASN 12 HB2 ASN 12 85.194 11.657 0.047 95 HB3 ASN 12 HB1 ASN 12 83.800 12.483 -0.644 96 HD21 ASN 12 HD21 ASN 12 85.455 14.139 0.741 97 HD22 ASN 12 HD22 ASN 12 84.822 14.519 2.270 98 H VAL 13 HN VAL 13 85.001 8.797 0.642 99 HA VAL 13 HA VAL 13 84.928 8.741 3.607 100 HB VAL 13 HB VAL 13 84.626 6.363 1.754 101 HG11 VAL 13 HG11 VAL 13 86.177 5.564 3.351 102 HG12 VAL 13 HG12 VAL 13 84.618 5.116 4.048 103 HG13 VAL 13 HG13 VAL 13 85.478 6.533 4.648 104 HG21 VAL 13 HG21 VAL 13 82.569 7.611 2.414 105 HG22 VAL 13 HG22 VAL 13 82.990 7.363 4.110 106 HG23 VAL 13 HG23 VAL 13 82.598 5.980 3.088 107 H GLU 14 HN GLU 14 86.886 8.666 4.526 108 HA GLU 14 HA GLU 14 89.228 7.901 2.865 109 HB2 GLU 14 HB2 GLU 14 89.006 10.384 3.096 110 HB3 GLU 14 HB1 GLU 14 89.141 10.195 4.841 111 HG2 GLU 14 HG2 GLU 14 91.234 9.065 2.975 112 HG3 GLU 14 HG1 GLU 14 91.308 10.734 3.529 113 H ALA 15 HN ALA 15 90.632 6.537 3.806 114 HA ALA 15 HA ALA 15 90.874 6.356 6.686 115 HB1 ALA 15 HB1 ALA 15 90.081 4.142 6.965 116 HB2 ALA 15 HB2 ALA 15 89.962 3.881 5.224 117 HB3 ALA 15 HB3 ALA 15 88.831 4.964 6.034 118 H LEU 16 HN LEU 16 92.763 5.344 7.328 119 HA LEU 16 HA LEU 16 94.806 5.065 5.318 120 HB2 LEU 16 HB2 LEU 16 94.748 4.658 8.313 121 HB3 LEU 16 HB1 LEU 16 96.179 4.305 7.348 122 HG LEU 16 HG LEU 16 96.128 6.643 6.474 123 HD11 LEU 16 HD11 LEU 16 93.879 7.330 6.655 124 HD12 LEU 16 HD12 LEU 16 94.676 8.230 7.943 125 HD13 LEU 16 HD13 LEU 16 93.746 6.779 8.326 126 HD21 LEU 16 HD21 LEU 16 97.519 6.052 8.432 127 HD22 LEU 16 HD22 LEU 16 96.162 6.402 9.500 128 HD23 LEU 16 HD23 LEU 16 96.904 7.701 8.566 129 H GLU 17 HN GLU 17 96.084 3.099 4.993 130 HA GLU 17 HA GLU 17 94.651 0.879 4.270 131 HB2 GLU 17 HB2 GLU 17 96.924 1.077 3.580 132 HB3 GLU 17 HB1 GLU 17 97.506 1.062 5.241 133 HG2 GLU 17 HG2 GLU 17 95.920 -1.269 4.156 134 HG3 GLU 17 HG1 GLU 17 97.645 -1.140 3.823 135 H GLY 18 HN GLY 18 94.422 -1.251 5.192 136 HA2 GLY 18 HA2 GLY 18 93.665 -2.680 6.810 137 HA3 GLY 18 HA1 GLY 18 94.919 -1.984 7.836 138 H GLY 19 HN GLY 19 92.598 0.173 6.532 139 HA2 GLY 19 HA2 GLY 19 91.469 0.642 9.204 140 HA3 GLY 19 HA1 GLY 19 91.346 1.713 7.811 141 H GLU 20 HN GLU 20 89.049 1.673 8.686 142 HA GLU 20 HA GLU 20 87.524 -0.431 7.260 143 HB2 GLU 20 HB2 GLU 20 85.788 -0.263 9.029 144 HB3 GLU 20 HB1 GLU 20 87.311 -0.900 9.639 145 HG2 GLU 20 HG2 GLU 20 87.909 1.335 10.492 146 HG3 GLU 20 HG1 GLU 20 86.384 1.975 9.879 147 H ALA 21 HN ALA 21 85.368 0.280 6.612 148 HA ALA 21 HA ALA 21 85.079 3.216 6.361 149 HB1 ALA 21 HB1 ALA 21 85.031 1.201 4.107 150 HB2 ALA 21 HB2 ALA 21 86.063 2.623 4.268 151 HB3 ALA 21 HB3 ALA 21 84.337 2.813 3.969 152 H LEU 22 HN LEU 22 83.059 3.949 6.493 153 HA LEU 22 HA LEU 22 80.842 2.000 6.496 154 HB2 LEU 22 HB2 LEU 22 80.976 4.327 8.411 155 HB3 LEU 22 HB1 LEU 22 79.903 2.929 8.451 156 HG LEU 22 HG LEU 22 82.277 1.631 8.598 157 HD11 LEU 22 HD11 LEU 22 83.801 2.867 10.091 158 HD12 LEU 22 HD12 LEU 22 82.758 4.283 9.984 159 HD13 LEU 22 HD13 LEU 22 83.611 3.709 8.554 160 HD21 LEU 22 HD21 LEU 22 80.513 1.298 10.219 161 HD22 LEU 22 HD22 LEU 22 80.742 2.920 10.877 162 HD23 LEU 22 HD23 LEU 22 81.984 1.689 11.112 163 H PHE 23 HN PHE 23 79.361 2.524 5.056 164 HA PHE 23 HA PHE 23 79.118 5.352 4.203 165 HB2 PHE 23 HB2 PHE 23 78.651 2.712 2.826 166 HB3 PHE 23 HB1 PHE 23 77.863 4.172 2.243 167 HD1 PHE 23 HD2 PHE 23 79.160 6.038 1.331 168 HD2 PHE 23 HD1 PHE 23 81.073 2.429 2.662 169 HE1 PHE 23 HE2 PHE 23 81.223 6.690 0.131 170 HE2 PHE 23 HE1 PHE 23 83.145 3.090 1.465 171 HZ PHE 23 HZ PHE 23 83.211 5.223 0.196 172 H GLU 24 HN GLU 24 77.584 6.265 5.431 173 HA GLU 24 HA GLU 24 75.113 4.776 6.041 174 HB2 GLU 24 HB2 GLU 24 76.356 7.281 7.172 175 HB3 GLU 24 HB1 GLU 24 74.710 6.783 7.566 176 HG2 GLU 24 HG2 GLU 24 75.541 4.631 8.392 177 HG3 GLU 24 HG1 GLU 24 77.188 5.084 7.960 178 H CYS 25 HN CYS 25 73.586 4.967 4.570 179 HA CYS 25 HA CYS 25 72.974 7.636 3.423 180 HB2 CYS 25 HB2 CYS 25 73.783 6.325 1.615 181 HB3 CYS 25 HB1 CYS 25 72.950 4.881 2.181 182 HG CYS 25 HG CYS 25 71.361 7.344 1.086 183 H GLN 26 HN GLN 26 71.050 8.379 4.016 184 HA GLN 26 HA GLN 26 69.037 6.496 5.111 185 HB2 GLN 26 HB2 GLN 26 69.463 9.468 5.511 186 HB3 GLN 26 HB1 GLN 26 68.083 8.572 6.148 187 HG2 GLN 26 HG2 GLN 26 69.599 7.102 7.416 188 HG3 GLN 26 HG1 GLN 26 70.991 7.950 6.746 189 HE21 GLN 26 HE21 GLN 26 71.833 9.077 8.531 190 HE22 GLN 26 HE22 GLN 26 70.924 10.124 9.512 191 H LEU 27 HN LEU 27 67.084 6.292 4.146 192 HA LEU 27 HA LEU 27 66.256 8.277 2.124 193 HB2 LEU 27 HB2 LEU 27 65.398 6.188 0.778 194 HB3 LEU 27 HB1 LEU 27 67.067 6.703 0.611 195 HG LEU 27 HG LEU 27 66.775 4.232 0.905 196 HD11 LEU 27 HD11 LEU 27 68.758 5.859 1.952 197 HD12 LEU 27 HD12 LEU 27 68.817 4.103 1.878 198 HD13 LEU 27 HD13 LEU 27 68.288 4.900 3.356 199 HD21 LEU 27 HD21 LEU 27 64.856 4.597 2.595 200 HD22 LEU 27 HD22 LEU 27 66.127 4.816 3.795 201 HD23 LEU 27 HD23 LEU 27 65.992 3.297 2.920 202 H SER 28 HN SER 28 63.940 7.992 1.506 203 HA SER 28 HA SER 28 62.373 7.238 3.885 204 HB2 SER 28 HB2 SER 28 62.179 9.583 3.236 205 HB3 SER 28 HB1 SER 28 61.687 9.106 1.612 206 HG SER 28 HG SER 28 60.281 8.002 3.747 207 H GLN 29 HN GLN 29 61.817 5.136 3.593 208 HA GLN 29 HA GLN 29 59.708 4.404 1.938 209 HB2 GLN 29 HB2 GLN 29 61.042 2.710 0.507 210 HB3 GLN 29 HB1 GLN 29 61.025 4.391 -0.000 211 HG2 GLN 29 HG2 GLN 29 63.216 4.782 0.875 212 HG3 GLN 29 HG1 GLN 29 63.212 3.244 1.733 213 HE21 GLN 29 HE21 GLN 29 62.253 3.966 -1.655 214 HE22 GLN 29 HE22 GLN 29 63.367 2.893 -2.354 215 HA PRO 30 HA PRO 30 60.784 1.622 5.457 216 HB2 PRO 30 HB2 PRO 30 57.947 1.286 5.983 217 HB3 PRO 30 HB1 PRO 30 59.160 2.106 6.981 218 HG2 PRO 30 HG2 PRO 30 57.081 3.339 5.556 219 HG3 PRO 30 HG1 PRO 30 58.483 4.148 6.271 220 HD2 PRO 30 HD2 PRO 30 57.941 3.528 3.422 221 HD3 PRO 30 HD1 PRO 30 59.033 4.737 4.127 222 H GLU 31 HN GLU 31 60.243 1.044 2.541 223 HA GLU 31 HA GLU 31 59.675 -1.818 2.849 224 HB2 GLU 31 HB2 GLU 31 58.178 -1.783 0.885 225 HB3 GLU 31 HB1 GLU 31 57.524 -0.814 2.207 226 HG2 GLU 31 HG2 GLU 31 58.466 1.229 1.145 227 HG3 GLU 31 HG1 GLU 31 59.052 0.244 -0.194 228 H VAL 32 HN VAL 32 60.138 -2.935 0.684 229 HA VAL 32 HA VAL 32 61.377 -2.250 -1.514 230 HB VAL 32 HB VAL 32 63.007 -0.787 -0.412 231 HG11 VAL 32 HG11 VAL 32 64.298 -3.174 0.893 232 HG12 VAL 32 HG12 VAL 32 62.974 -2.369 1.727 233 HG13 VAL 32 HG13 VAL 32 64.434 -1.470 1.320 234 HG21 VAL 32 HG21 VAL 32 64.411 -3.282 -1.350 235 HG22 VAL 32 HG22 VAL 32 64.951 -1.610 -1.502 236 HG23 VAL 32 HG23 VAL 32 63.574 -2.183 -2.446 237 H ALA 33 HN ALA 33 61.240 -4.190 -2.463 238 HA ALA 33 HA ALA 33 61.862 -6.615 -0.943 239 HB1 ALA 33 HB1 ALA 33 59.800 -6.476 -2.343 240 HB2 ALA 33 HB2 ALA 33 60.865 -7.803 -2.809 241 HB3 ALA 33 HB3 ALA 33 60.821 -6.328 -3.775 242 H ALA 34 HN ALA 34 62.770 -5.129 -4.044 243 HA ALA 34 HA ALA 34 65.349 -6.615 -3.938 244 HB1 ALA 34 HB1 ALA 34 64.012 -7.458 -5.752 245 HB2 ALA 34 HB2 ALA 34 65.305 -6.471 -6.431 246 HB3 ALA 34 HB3 ALA 34 63.669 -5.824 -6.320 247 H HIS 35 HN HIS 35 67.194 -5.606 -4.497 248 HA HIS 35 HA HIS 35 67.261 -2.861 -5.431 249 HB2 HIS 35 HB2 HIS 35 68.937 -2.556 -3.266 250 HB3 HIS 35 HB1 HIS 35 67.255 -2.025 -3.283 251 HD1 HIS 35 HD1 HIS 35 66.377 -2.638 -1.028 252 HD2 HIS 35 HD2 HIS 35 68.548 -5.756 -2.737 253 HE1 HIS 35 HE1 HIS 35 66.029 -4.648 0.472 254 H THR 36 HN THR 36 69.349 -2.318 -6.248 255 HA THR 36 HA THR 36 71.186 -4.646 -6.490 256 HB THR 36 HB THR 36 70.785 -2.296 -8.357 257 HG1 THR 36 HG1 THR 36 69.373 -3.573 -9.204 258 HG21 THR 36 HG21 THR 36 73.077 -2.908 -8.517 259 HG22 THR 36 HG22 THR 36 72.289 -3.793 -9.823 260 HG23 THR 36 HG23 THR 36 72.716 -4.622 -8.326 261 H TRP 37 HN TRP 37 72.849 -4.482 -5.205 262 HA TRP 37 HA TRP 37 74.048 -1.828 -4.621 263 HB2 TRP 37 HB2 TRP 37 73.652 -4.345 -3.036 264 HB3 TRP 37 HB1 TRP 37 75.108 -3.420 -2.722 265 HD1 TRP 37 HD1 TRP 37 71.286 -2.999 -2.718 266 HE1 TRP 37 HE1 TRP 37 70.688 -1.142 -1.029 267 HE3 TRP 37 HE3 TRP 37 75.974 -1.432 -1.425 268 HZ2 TRP 37 HZ2 TRP 37 72.025 0.756 0.643 269 HZ3 TRP 37 HZ3 TRP 37 76.283 0.396 0.216 270 HH2 TRP 37 HH2 TRP 37 74.315 1.491 1.251 271 H LEU 38 HN LEU 38 75.617 -1.606 -6.191 272 HA LEU 38 HA LEU 38 77.675 -3.742 -6.309 273 HB2 LEU 38 HB2 LEU 38 76.554 -2.179 -8.639 274 HB3 LEU 38 HB1 LEU 38 77.935 -3.269 -8.721 275 HG LEU 38 HG LEU 38 75.157 -4.094 -7.813 276 HD11 LEU 38 HD11 LEU 38 76.547 -4.645 -10.453 277 HD12 LEU 38 HD12 LEU 38 75.302 -3.416 -10.226 278 HD13 LEU 38 HD13 LEU 38 74.910 -5.121 -9.998 279 HD21 LEU 38 HD21 LEU 38 77.796 -5.528 -8.180 280 HD22 LEU 38 HD22 LEU 38 76.294 -6.410 -8.466 281 HD23 LEU 38 HD23 LEU 38 76.608 -5.698 -6.887 282 H LEU 39 HN LEU 39 79.436 -2.965 -5.464 283 HA LEU 39 HA LEU 39 80.180 -0.143 -5.819 284 HB2 LEU 39 HB2 LEU 39 82.214 -1.270 -4.323 285 HB3 LEU 39 HB1 LEU 39 80.785 -0.547 -3.620 286 HG LEU 39 HG LEU 39 79.679 -2.787 -3.650 287 HD11 LEU 39 HD11 LEU 39 81.061 -3.774 -5.475 288 HD12 LEU 39 HD12 LEU 39 81.058 -4.778 -4.031 289 HD13 LEU 39 HD13 LEU 39 82.451 -3.773 -4.388 290 HD21 LEU 39 HD21 LEU 39 82.248 -2.326 -2.138 291 HD22 LEU 39 HD22 LEU 39 81.275 -3.768 -1.853 292 HD23 LEU 39 HD23 LEU 39 80.589 -2.172 -1.567 293 H ASP 40 HN ASP 40 82.744 -2.398 -5.499 294 HA ASP 40 HA ASP 40 83.762 -1.877 -8.085 295 HB2 ASP 40 HB2 ASP 40 85.070 -2.772 -6.037 296 HB3 ASP 40 HB1 ASP 40 84.348 -4.338 -6.405 297 H ASP 41 HN ASP 41 83.884 -3.726 -9.712 298 HA ASP 41 HA ASP 41 81.266 -4.538 -10.350 299 HB2 ASP 41 HB2 ASP 41 83.211 -4.132 -11.956 300 HB3 ASP 41 HB1 ASP 41 83.756 -5.753 -11.531 301 H GLU 42 HN GLU 42 81.889 -5.548 -7.744 302 HA GLU 42 HA GLU 42 81.537 -8.439 -8.248 303 HB2 GLU 42 HB2 GLU 42 83.284 -7.150 -6.131 304 HB3 GLU 42 HB1 GLU 42 82.739 -8.828 -6.022 305 HG2 GLU 42 HG2 GLU 42 83.850 -9.393 -8.095 306 HG3 GLU 42 HG1 GLU 42 84.224 -7.701 -8.422 307 HA PRO 43 HA PRO 43 77.817 -7.539 -5.936 308 HB2 PRO 43 HB2 PRO 43 77.695 -10.174 -4.715 309 HB3 PRO 43 HB1 PRO 43 76.707 -9.539 -6.037 310 HG2 PRO 43 HG2 PRO 43 78.884 -11.427 -6.167 311 HG3 PRO 43 HG1 PRO 43 77.803 -10.899 -7.464 312 HD2 PRO 43 HD2 PRO 43 80.554 -10.247 -7.182 313 HD3 PRO 43 HD1 PRO 43 79.416 -9.522 -8.336 314 H VAL 44 HN VAL 44 77.581 -6.671 -3.852 315 HA VAL 44 HA VAL 44 79.880 -7.065 -2.081 316 HB VAL 44 HB VAL 44 79.323 -4.798 -2.554 317 HG11 VAL 44 HG11 VAL 44 76.632 -5.184 -1.279 318 HG12 VAL 44 HG12 VAL 44 76.879 -5.227 -3.017 319 HG13 VAL 44 HG13 VAL 44 77.252 -3.767 -2.105 320 HG21 VAL 44 HG21 VAL 44 78.448 -5.445 0.267 321 HG22 VAL 44 HG22 VAL 44 79.161 -3.937 -0.296 322 HG23 VAL 44 HG23 VAL 44 80.125 -5.413 -0.274 323 H ARG 45 HN ARG 45 79.542 -9.021 -1.276 324 HA ARG 45 HA ARG 45 77.754 -9.152 1.025 325 HB2 ARG 45 HB2 ARG 45 76.455 -10.331 -0.714 326 HB3 ARG 45 HB1 ARG 45 77.862 -11.300 -1.137 327 HG2 ARG 45 HG2 ARG 45 76.442 -12.659 0.267 328 HG3 ARG 45 HG1 ARG 45 77.846 -12.213 1.233 329 HD2 ARG 45 HD2 ARG 45 76.593 -10.525 2.411 330 HD3 ARG 45 HD1 ARG 45 75.241 -10.662 1.291 331 HE ARG 45 HE ARG 45 75.548 -13.178 2.398 332 HH11 ARG 45 HH11 ARG 45 74.976 -9.943 3.494 333 HH12 ARG 45 HH12 ARG 45 74.095 -10.429 4.903 334 HH21 ARG 45 HH21 ARG 45 74.408 -13.819 4.263 335 HH22 ARG 45 HH22 ARG 45 73.776 -12.619 5.338 336 H THR 46 HN THR 46 79.555 -11.626 -0.643 337 HA THR 46 HA THR 46 81.435 -12.828 -0.113 338 HB THR 46 HB THR 46 83.360 -11.545 0.072 339 HG1 THR 46 HG1 THR 46 81.956 -10.388 2.115 340 HG21 THR 46 HG21 THR 46 83.068 -9.594 -1.175 341 HG22 THR 46 HG22 THR 46 81.515 -9.233 -0.431 342 HG23 THR 46 HG23 THR 46 81.646 -10.546 -1.597 343 H SER 47 HN SER 47 82.816 -11.449 2.587 344 HA SER 47 HA SER 47 81.174 -12.988 4.498 345 HB2 SER 47 HB2 SER 47 83.061 -14.394 3.635 346 HB3 SER 47 HB1 SER 47 84.185 -13.208 4.294 347 HG SER 47 HG SER 47 83.961 -14.428 6.017 348 H GLU 48 HN GLU 48 83.444 -12.640 6.449 349 HA GLU 48 HA GLU 48 82.507 -10.363 7.752 350 HB2 GLU 48 HB2 GLU 48 85.173 -11.758 7.995 351 HB3 GLU 48 HB1 GLU 48 84.580 -10.540 9.126 352 HG2 GLU 48 HG2 GLU 48 82.593 -11.929 9.578 353 HG3 GLU 48 HG1 GLU 48 83.194 -13.151 8.457 354 H ASN 49 HN ASN 49 85.372 -10.695 5.686 355 HA ASN 49 HA ASN 49 86.419 -8.118 6.083 356 HB2 ASN 49 HB2 ASN 49 86.626 -10.028 3.757 357 HB3 ASN 49 HB1 ASN 49 87.546 -8.527 3.857 358 HD21 ASN 49 HD21 ASN 49 88.861 -11.077 3.862 359 HD22 ASN 49 HD22 ASN 49 89.565 -11.312 5.387 360 H ALA 50 HN ALA 50 83.457 -8.781 4.868 361 HA ALA 50 HA ALA 50 82.863 -6.180 4.035 362 HB1 ALA 50 HB1 ALA 50 84.182 -6.458 2.068 363 HB2 ALA 50 HB2 ALA 50 82.509 -6.665 1.563 364 HB3 ALA 50 HB3 ALA 50 83.545 -8.076 1.783 365 H GLU 51 HN GLU 51 80.676 -5.989 4.140 366 HA GLU 51 HA GLU 51 78.803 -7.881 3.199 367 HB2 GLU 51 HB2 GLU 51 79.670 -9.258 5.067 368 HB3 GLU 51 HB1 GLU 51 79.290 -7.960 6.196 369 HG2 GLU 51 HG2 GLU 51 76.892 -8.151 5.585 370 HG3 GLU 51 HG1 GLU 51 77.290 -9.466 4.476 371 H VAL 52 HN VAL 52 76.712 -6.903 3.172 372 HA VAL 52 HA VAL 52 76.594 -4.203 4.221 373 HB VAL 52 HB VAL 52 74.384 -5.598 2.729 374 HG11 VAL 52 HG11 VAL 52 74.000 -3.332 1.858 375 HG12 VAL 52 HG12 VAL 52 75.414 -2.748 2.736 376 HG13 VAL 52 HG13 VAL 52 74.008 -3.332 3.622 377 HG21 VAL 52 HG21 VAL 52 75.381 -5.087 0.612 378 HG22 VAL 52 HG22 VAL 52 76.572 -6.020 1.509 379 HG23 VAL 52 HG23 VAL 52 76.745 -4.270 1.363 380 H VAL 53 HN VAL 53 75.196 -3.470 5.696 381 HA VAL 53 HA VAL 53 73.290 -5.312 6.985 382 HB VAL 53 HB VAL 53 73.958 -4.330 9.211 383 HG11 VAL 53 HG11 VAL 53 75.986 -5.753 9.439 384 HG12 VAL 53 HG12 VAL 53 76.049 -5.907 7.683 385 HG13 VAL 53 HG13 VAL 53 74.684 -6.571 8.579 386 HG21 VAL 53 HG21 VAL 53 76.264 -3.365 9.319 387 HG22 VAL 53 HG22 VAL 53 75.131 -2.352 8.427 388 HG23 VAL 53 HG23 VAL 53 76.301 -3.343 7.554 389 H PHE 54 HN PHE 54 71.377 -4.293 7.548 390 HA PHE 54 HA PHE 54 71.270 -1.349 7.433 391 HB2 PHE 54 HB2 PHE 54 69.585 -1.259 5.783 392 HB3 PHE 54 HB1 PHE 54 70.750 -2.408 5.148 393 HD1 PHE 54 HD1 PHE 54 67.509 -2.084 6.935 394 HD2 PHE 54 HD2 PHE 54 70.133 -4.680 4.733 395 HE1 PHE 54 HE1 PHE 54 65.707 -3.774 6.773 396 HE2 PHE 54 HE2 PHE 54 68.325 -6.367 4.575 397 HZ PHE 54 HZ PHE 54 66.111 -5.912 5.591 398 H PHE 55 HN PHE 55 69.811 -0.454 8.830 399 HA PHE 55 HA PHE 55 67.925 -2.271 10.223 400 HB2 PHE 55 HB2 PHE 55 69.488 -0.096 11.618 401 HB3 PHE 55 HB1 PHE 55 68.541 -1.399 12.342 402 HD1 PHE 55 HD2 PHE 55 69.367 -3.780 12.188 403 HD2 PHE 55 HD1 PHE 55 71.742 -0.432 10.925 404 HE1 PHE 55 HE2 PHE 55 71.398 -5.204 12.232 405 HE2 PHE 55 HE1 PHE 55 73.770 -1.854 10.975 406 HZ PHE 55 HZ PHE 55 73.601 -4.235 11.623 407 H GLU 56 HN GLU 56 66.808 -0.485 11.925 408 HA GLU 56 HA GLU 56 65.229 1.163 12.088 409 HB2 GLU 56 HB2 GLU 56 67.267 2.507 11.249 410 HB3 GLU 56 HB1 GLU 56 66.466 2.492 9.683 411 HG2 GLU 56 HG2 GLU 56 64.445 3.514 10.747 412 HG3 GLU 56 HG1 GLU 56 65.301 3.551 12.281 413 H ASN 57 HN ASN 57 64.987 -1.183 10.378 414 HA ASN 57 HA ASN 57 63.427 -2.179 9.024 415 HB2 ASN 57 HB2 ASN 57 61.953 0.397 9.564 416 HB3 ASN 57 HB1 ASN 57 61.276 -0.928 8.628 417 HD21 ASN 57 HD21 ASN 57 60.378 0.081 11.298 418 HD22 ASN 57 HD22 ASN 57 60.481 -1.252 12.344 419 H GLY 58 HN GLY 58 65.571 -1.132 7.688 420 HA2 GLY 58 HA2 GLY 58 66.167 -0.907 5.453 421 HA3 GLY 58 HA1 GLY 58 64.460 -0.830 5.050 422 H LEU 59 HN LEU 59 65.117 1.437 7.441 423 HA LEU 59 HA LEU 59 64.965 3.606 5.483 424 HB2 LEU 59 HB2 LEU 59 64.920 3.644 8.492 425 HB3 LEU 59 HB1 LEU 59 64.648 5.037 7.462 426 HG LEU 59 HG LEU 59 62.953 2.521 7.506 427 HD11 LEU 59 HD11 LEU 59 62.479 3.718 9.497 428 HD12 LEU 59 HD12 LEU 59 61.228 4.236 8.369 429 HD13 LEU 59 HD13 LEU 59 62.611 5.279 8.690 430 HD21 LEU 59 HD21 LEU 59 61.418 4.242 6.174 431 HD22 LEU 59 HD22 LEU 59 62.654 3.315 5.331 432 HD23 LEU 59 HD23 LEU 59 62.966 4.990 5.781 433 H ARG 60 HN ARG 60 67.374 1.928 7.164 434 HA ARG 60 HA ARG 60 69.330 4.104 6.635 435 HB2 ARG 60 HB2 ARG 60 68.809 3.729 9.134 436 HB3 ARG 60 HB1 ARG 60 69.614 2.170 8.944 437 HG2 ARG 60 HG2 ARG 60 71.649 3.286 8.151 438 HG3 ARG 60 HG1 ARG 60 70.851 4.853 8.276 439 HD2 ARG 60 HD2 ARG 60 72.220 4.529 10.249 440 HD3 ARG 60 HD1 ARG 60 70.526 4.442 10.719 441 HE ARG 60 HE ARG 60 71.471 1.834 10.147 442 HH11 ARG 60 HH21 ARG 60 70.365 3.648 12.663 443 HH12 ARG 60 HH22 ARG 60 71.358 2.938 13.893 444 HH21 ARG 60 HH11 ARG 60 73.382 1.235 11.657 445 HH22 ARG 60 HH12 ARG 60 73.060 1.575 13.326 446 H HIS 61 HN HIS 61 71.222 3.447 5.662 447 HA HIS 61 HA HIS 61 71.594 0.533 5.222 448 HB2 HIS 61 HB2 HIS 61 71.707 2.762 3.188 449 HB3 HIS 61 HB1 HIS 61 72.490 1.204 2.924 450 HD1 HIS 61 HD1 HIS 61 69.080 2.761 3.377 451 HD2 HIS 61 HD2 HIS 61 70.729 -0.937 2.385 452 HE1 HIS 61 HE1 HIS 61 67.160 1.303 2.598 453 H LEU 62 HN LEU 62 73.301 0.104 6.432 454 HA LEU 62 HA LEU 62 75.691 1.855 6.260 455 HB2 LEU 62 HB2 LEU 62 74.391 1.624 8.452 456 HB3 LEU 62 HB1 LEU 62 74.935 -0.041 8.494 457 HG LEU 62 HG LEU 62 76.972 2.152 8.144 458 HD11 LEU 62 HD11 LEU 62 75.749 1.273 10.774 459 HD12 LEU 62 HD12 LEU 62 75.591 2.869 10.043 460 HD13 LEU 62 HD13 LEU 62 77.166 2.309 10.609 461 HD21 LEU 62 HD21 LEU 62 77.832 -0.097 7.964 462 HD22 LEU 62 HD22 LEU 62 76.957 -0.614 9.410 463 HD23 LEU 62 HD23 LEU 62 78.309 0.510 9.548 464 H LEU 63 HN LEU 63 77.315 0.961 5.147 465 HA LEU 63 HA LEU 63 77.526 -1.999 4.946 466 HB2 LEU 63 HB2 LEU 63 77.136 -1.159 2.783 467 HB3 LEU 63 HB1 LEU 63 78.138 0.260 3.049 468 HG LEU 63 HG LEU 63 80.164 -1.099 2.961 469 HD11 LEU 63 HD11 LEU 63 79.816 -3.568 2.229 470 HD12 LEU 63 HD12 LEU 63 78.201 -3.375 2.884 471 HD13 LEU 63 HD13 LEU 63 79.593 -3.182 3.931 472 HD21 LEU 63 HD21 LEU 63 78.244 -1.798 0.721 473 HD22 LEU 63 HD22 LEU 63 80.004 -1.838 0.627 474 HD23 LEU 63 HD23 LEU 63 79.168 -0.301 0.843 475 H LEU 64 HN LEU 64 79.194 -2.869 6.101 476 HA LEU 64 HA LEU 64 81.552 -1.158 6.638 477 HB2 LEU 64 HB2 LEU 64 80.348 -1.660 8.661 478 HB3 LEU 64 HB1 LEU 64 80.262 -3.367 8.250 479 HG LEU 64 HG LEU 64 82.713 -3.563 8.472 480 HD11 LEU 64 HD11 LEU 64 82.519 -0.602 9.053 481 HD12 LEU 64 HD12 LEU 64 83.499 -1.387 7.816 482 HD13 LEU 64 HD13 LEU 64 83.913 -1.571 9.517 483 HD21 LEU 64 HD21 LEU 64 81.226 -3.833 10.455 484 HD22 LEU 64 HD22 LEU 64 81.470 -2.126 10.834 485 HD23 LEU 64 HD23 LEU 64 82.834 -3.247 10.888 486 H LEU 65 HN LEU 65 83.477 -1.819 5.998 487 HA LEU 65 HA LEU 65 83.989 -4.650 5.426 488 HB2 LEU 65 HB2 LEU 65 85.125 -4.064 3.293 489 HB3 LEU 65 HB1 LEU 65 83.387 -3.807 3.236 490 HG LEU 65 HG LEU 65 85.388 -1.613 3.828 491 HD11 LEU 65 HD11 LEU 65 84.956 -0.915 1.462 492 HD12 LEU 65 HD12 LEU 65 84.064 -2.417 1.221 493 HD13 LEU 65 HD13 LEU 65 85.789 -2.464 1.583 494 HD21 LEU 65 HD21 LEU 65 83.369 -0.738 4.562 495 HD22 LEU 65 HD22 LEU 65 82.404 -1.733 3.478 496 HD23 LEU 65 HD23 LEU 65 83.245 -0.313 2.862 497 H LYS 66 HN LYS 66 86.030 -5.268 6.016 498 HA LYS 66 HA LYS 66 87.659 -3.240 7.364 499 HB2 LYS 66 HB2 LYS 66 87.576 -6.259 7.486 500 HB3 LYS 66 HB1 LYS 66 88.654 -5.255 8.449 501 HG2 LYS 66 HG2 LYS 66 86.750 -4.154 9.506 502 HG3 LYS 66 HG1 LYS 66 85.632 -5.059 8.482 503 HD2 LYS 66 HD2 LYS 66 86.544 -7.182 9.439 504 HD3 LYS 66 HD1 LYS 66 87.526 -6.223 10.545 505 HE2 LYS 66 HE2 LYS 66 84.506 -6.052 10.364 506 HE3 LYS 66 HE1 LYS 66 85.378 -7.013 11.558 507 HZ1 LYS 66 HZ1 LYS 66 86.591 -4.793 12.007 508 HZ2 LYS 66 HZ2 LYS 66 85.050 -5.057 12.673 509 HZ3 LYS 66 HZ3 LYS 66 85.226 -4.090 11.286 510 H ASN 67 HN ASN 67 89.991 -4.586 7.553 511 HA ASN 67 HA ASN 67 92.089 -4.393 6.507 512 HB2 ASN 67 HB2 ASN 67 91.272 -6.770 6.370 513 HB3 ASN 67 HB1 ASN 67 90.754 -6.426 4.721 514 HD21 ASN 67 HD21 ASN 67 92.290 -7.254 3.303 515 HD22 ASN 67 HD22 ASN 67 93.972 -7.143 3.513 516 H LEU 68 HN LEU 68 90.580 -2.259 5.550 517 HA LEU 68 HA LEU 68 90.344 -2.220 2.734 518 HB2 LEU 68 HB2 LEU 68 90.588 -0.027 4.775 519 HB3 LEU 68 HB1 LEU 68 90.336 0.296 3.063 520 HG LEU 68 HG LEU 68 88.544 -1.503 4.711 521 HD11 LEU 68 HD11 LEU 68 88.026 1.367 3.877 522 HD12 LEU 68 HD12 LEU 68 88.580 0.906 5.486 523 HD13 LEU 68 HD13 LEU 68 87.016 0.353 4.901 524 HD21 LEU 68 HD21 LEU 68 88.629 -0.631 1.851 525 HD22 LEU 68 HD22 LEU 68 87.044 -0.602 2.603 526 HD23 LEU 68 HD23 LEU 68 87.967 -2.100 2.563 527 H ARG 69 HN ARG 69 91.963 -2.543 1.378 528 HA ARG 69 HA ARG 69 94.616 -1.367 1.935 529 HB2 ARG 69 HB2 ARG 69 94.271 -3.082 -0.477 530 HB3 ARG 69 HB1 ARG 69 95.519 -3.131 0.768 531 HG2 ARG 69 HG2 ARG 69 93.886 -4.213 2.313 532 HG3 ARG 69 HG1 ARG 69 92.701 -4.229 1.009 533 HD2 ARG 69 HD2 ARG 69 94.636 -5.449 -0.327 534 HD3 ARG 69 HD1 ARG 69 95.228 -5.828 1.290 535 HE ARG 69 HE ARG 69 92.443 -6.437 1.032 536 HH11 ARG 69 HH11 ARG 69 95.637 -7.635 1.120 537 HH12 ARG 69 HH12 ARG 69 95.218 -9.248 0.648 538 HH21 ARG 69 HH21 ARG 69 91.891 -8.491 0.028 539 HH22 ARG 69 HH22 ARG 69 93.099 -9.732 0.031 540 HA PRO 70 HA PRO 70 94.189 1.580 -1.312 541 HB2 PRO 70 HB2 PRO 70 96.308 0.774 -3.133 542 HB3 PRO 70 HB1 PRO 70 96.334 2.082 -1.942 543 HG2 PRO 70 HG2 PRO 70 97.795 -0.299 -1.790 544 HG3 PRO 70 HG1 PRO 70 97.510 0.833 -0.458 545 HD2 PRO 70 HD2 PRO 70 96.235 -1.800 -0.985 546 HD3 PRO 70 HD1 PRO 70 96.426 -0.931 0.553 547 H GLN 71 HN GLN 71 94.603 -1.675 -2.464 548 HA GLN 71 HA GLN 71 93.620 -1.478 -5.069 549 HB2 GLN 71 HB2 GLN 71 94.662 -3.518 -4.165 550 HB3 GLN 71 HB1 GLN 71 93.272 -3.760 -3.107 551 HG2 GLN 71 HG2 GLN 71 93.086 -5.169 -5.115 552 HG3 GLN 71 HG1 GLN 71 91.799 -3.969 -5.094 553 HE21 GLN 71 HE21 GLN 71 94.637 -5.072 -6.819 554 HE22 GLN 71 HE22 GLN 71 94.558 -3.931 -8.076 555 H ASP 72 HN ASP 72 91.769 -2.433 -2.132 556 HA ASP 72 HA ASP 72 89.294 -2.663 -3.170 557 HB2 ASP 72 HB2 ASP 72 90.133 -1.443 -0.544 558 HB3 ASP 72 HB1 ASP 72 88.466 -1.869 -0.932 559 H SER 73 HN SER 73 90.845 0.506 -2.342 560 HA SER 73 HA SER 73 88.755 2.198 -2.474 561 HB2 SER 73 HB2 SER 73 90.297 3.860 -2.965 562 HB3 SER 73 HB1 SER 73 91.375 2.579 -2.416 563 HG SER 73 HG SER 73 91.282 3.767 -4.788 564 H CYS 74 HN CYS 74 87.103 2.379 -3.806 565 HA CYS 74 HA CYS 74 87.509 2.579 -6.663 566 HB2 CYS 74 HB2 CYS 74 87.359 0.072 -6.034 567 HB3 CYS 74 HB1 CYS 74 85.641 0.391 -5.793 568 HG CYS 74 HG CYS 74 86.072 -0.279 -8.327 569 H ARG 75 HN ARG 75 84.694 1.696 -7.089 570 HA ARG 75 HA ARG 75 83.359 4.202 -6.258 571 HB2 ARG 75 HB2 ARG 75 83.241 2.404 -8.635 572 HB3 ARG 75 HB1 ARG 75 81.735 3.188 -8.170 573 HG2 ARG 75 HG2 ARG 75 83.198 4.406 -9.872 574 HG3 ARG 75 HG1 ARG 75 82.637 5.353 -8.500 575 HD2 ARG 75 HD2 ARG 75 84.759 5.449 -7.536 576 HD3 ARG 75 HD1 ARG 75 85.294 3.965 -8.325 577 HE ARG 75 HE ARG 75 84.753 6.046 -10.219 578 HH11 ARG 75 HH11 ARG 75 86.986 4.994 -7.804 579 HH12 ARG 75 HH12 ARG 75 88.377 5.643 -8.606 580 HH21 ARG 75 HH21 ARG 75 86.576 6.839 -11.318 581 HH22 ARG 75 HH22 ARG 75 88.145 6.689 -10.597 582 H VAL 76 HN VAL 76 81.549 4.206 -5.058 583 HA VAL 76 HA VAL 76 80.311 1.605 -4.355 584 HB VAL 76 HB VAL 76 80.344 4.154 -2.727 585 HG11 VAL 76 HG11 VAL 76 79.416 2.704 -0.960 586 HG12 VAL 76 HG12 VAL 76 79.442 1.331 -2.065 587 HG13 VAL 76 HG13 VAL 76 78.368 2.694 -2.378 588 HG21 VAL 76 HG21 VAL 76 82.581 3.217 -2.769 589 HG22 VAL 76 HG22 VAL 76 81.951 1.591 -2.502 590 HG23 VAL 76 HG23 VAL 76 81.849 2.797 -1.219 591 H THR 77 HN THR 77 78.281 1.360 -5.140 592 HA THR 77 HA THR 77 76.619 3.780 -5.519 593 HB THR 77 HB THR 77 75.915 3.043 -7.709 594 HG1 THR 77 HG1 THR 77 77.834 1.020 -7.730 595 HG21 THR 77 HG21 THR 77 78.920 2.792 -7.704 596 HG22 THR 77 HG22 THR 77 78.123 4.325 -7.346 597 HG23 THR 77 HG23 THR 77 77.884 3.550 -8.911 598 H PHE 78 HN PHE 78 74.615 3.594 -4.867 599 HA PHE 78 HA PHE 78 73.493 0.917 -4.255 600 HB2 PHE 78 HB2 PHE 78 73.957 1.869 -2.143 601 HB3 PHE 78 HB1 PHE 78 73.493 3.483 -2.668 602 HD1 PHE 78 HD2 PHE 78 71.671 0.209 -3.041 603 HD2 PHE 78 HD1 PHE 78 71.728 4.121 -1.262 604 HE1 PHE 78 HE2 PHE 78 69.396 -0.170 -2.131 605 HE2 PHE 78 HE1 PHE 78 69.455 3.740 -0.356 606 HZ PHE 78 HZ PHE 78 68.291 1.600 -0.787 607 H LEU 79 HN LEU 79 71.851 0.529 -5.622 608 HA LEU 79 HA LEU 79 70.212 2.820 -6.575 609 HB2 LEU 79 HB2 LEU 79 71.699 1.546 -8.211 610 HB3 LEU 79 HB1 LEU 79 70.594 0.197 -8.007 611 HG LEU 79 HG LEU 79 69.612 2.962 -8.788 612 HD11 LEU 79 HD11 LEU 79 70.365 0.704 -10.663 613 HD12 LEU 79 HD12 LEU 79 71.321 2.168 -10.423 614 HD13 LEU 79 HD13 LEU 79 69.704 2.273 -11.120 615 HD21 LEU 79 HD21 LEU 79 67.830 1.391 -9.903 616 HD22 LEU 79 HD22 LEU 79 67.750 1.654 -8.169 617 HD23 LEU 79 HD23 LEU 79 68.455 0.168 -8.800 618 H ALA 80 HN ALA 80 68.619 2.702 -4.997 619 HA ALA 80 HA ALA 80 66.959 0.249 -4.936 620 HB1 ALA 80 HB1 ALA 80 67.303 0.727 -2.698 621 HB2 ALA 80 HB2 ALA 80 65.898 1.755 -2.971 622 HB3 ALA 80 HB3 ALA 80 67.519 2.452 -2.989 623 H GLY 81 HN GLY 81 65.763 0.517 -6.804 624 HA2 GLY 81 HA2 GLY 81 64.087 1.340 -8.161 625 HA3 GLY 81 HA1 GLY 81 63.507 2.205 -6.738 626 H ASP 82 HN ASP 82 62.967 3.999 -8.153 627 HA ASP 82 HA ASP 82 64.655 5.353 -9.872 628 HB2 ASP 82 HB2 ASP 82 62.203 5.747 -9.524 629 HB3 ASP 82 HB1 ASP 82 62.608 6.642 -8.059 630 H MET 83 HN MET 83 65.440 4.822 -6.749 631 HA MET 83 HA MET 83 66.747 7.463 -6.362 632 HB2 MET 83 HB2 MET 83 66.181 5.249 -4.385 633 HB3 MET 83 HB1 MET 83 67.091 6.701 -4.015 634 HG2 MET 83 HG2 MET 83 64.995 7.966 -4.945 635 HG3 MET 83 HG1 MET 83 64.171 6.431 -4.690 636 HE1 MET 83 HE1 MET 83 64.500 5.069 -2.765 637 HE2 MET 83 HE2 MET 83 63.876 5.720 -1.252 638 HE3 MET 83 HE3 MET 83 65.609 5.496 -1.454 639 H VAL 84 HN VAL 84 68.864 7.647 -6.763 640 HA VAL 84 HA VAL 84 70.609 5.304 -6.342 641 HB VAL 84 HB VAL 84 70.234 5.310 -8.713 642 HG11 VAL 84 HG11 VAL 84 70.918 8.263 -8.616 643 HG12 VAL 84 HG12 VAL 84 69.320 7.583 -8.924 644 HG13 VAL 84 HG13 VAL 84 70.625 7.329 -10.081 645 HG21 VAL 84 HG21 VAL 84 72.828 6.820 -8.321 646 HG22 VAL 84 HG22 VAL 84 72.475 5.552 -9.495 647 HG23 VAL 84 HG23 VAL 84 72.622 5.151 -7.783 648 H THR 85 HN THR 85 72.528 5.755 -5.459 649 HA THR 85 HA THR 85 73.382 8.571 -5.117 650 HB THR 85 HB THR 85 73.680 8.328 -2.794 651 HG1 THR 85 HG1 THR 85 73.631 6.173 -1.871 652 HG21 THR 85 HG21 THR 85 71.269 8.291 -3.285 653 HG22 THR 85 HG22 THR 85 71.617 7.274 -1.889 654 HG23 THR 85 HG23 THR 85 71.308 6.535 -3.451 655 H SER 86 HN SER 86 75.707 8.804 -4.967 656 HA SER 86 HA SER 86 77.367 6.415 -5.169 657 HB2 SER 86 HB2 SER 86 77.058 8.324 -7.491 658 HB3 SER 86 HB1 SER 86 78.377 7.166 -7.339 659 HG SER 86 HG SER 86 76.238 6.609 -8.488 660 H ALA 87 HN ALA 87 79.371 6.762 -4.351 661 HA ALA 87 HA ALA 87 80.477 9.487 -4.299 662 HB1 ALA 87 HB1 ALA 87 80.900 9.407 -1.914 663 HB2 ALA 87 HB2 ALA 87 80.161 7.809 -1.802 664 HB3 ALA 87 HB3 ALA 87 79.173 9.211 -2.207 665 H PHE 88 HN PHE 88 82.715 9.564 -3.775 666 HA PHE 88 HA PHE 88 84.174 7.343 -4.875 667 HB2 PHE 88 HB2 PHE 88 85.189 9.910 -3.636 668 HB3 PHE 88 HB1 PHE 88 86.120 8.792 -4.635 669 HD1 PHE 88 HD2 PHE 88 85.634 8.535 -7.043 670 HD2 PHE 88 HD1 PHE 88 83.527 11.378 -4.607 671 HE1 PHE 88 HE2 PHE 88 84.807 9.669 -9.085 672 HE2 PHE 88 HE1 PHE 88 82.701 12.517 -6.649 673 HZ PHE 88 HZ PHE 88 83.339 11.660 -8.889 674 H LEU 89 HN LEU 89 86.080 6.476 -3.879 675 HA LEU 89 HA LEU 89 85.995 6.261 -0.931 676 HB2 LEU 89 HB2 LEU 89 84.991 4.224 -1.850 677 HB3 LEU 89 HB1 LEU 89 86.379 3.995 -2.907 678 HG LEU 89 HG LEU 89 87.849 3.721 -0.946 679 HD11 LEU 89 HD11 LEU 89 86.598 3.392 1.305 680 HD12 LEU 89 HD12 LEU 89 85.305 4.324 0.555 681 HD13 LEU 89 HD13 LEU 89 86.901 5.040 0.767 682 HD21 LEU 89 HD21 LEU 89 87.081 1.542 -0.311 683 HD22 LEU 89 HD22 LEU 89 86.517 1.802 -1.961 684 HD23 LEU 89 HD23 LEU 89 85.399 1.979 -0.610 685 H THR 90 HN THR 90 88.013 6.287 0.030 686 HA THR 90 HA THR 90 90.376 6.275 -1.748 687 HB THR 90 HB THR 90 91.258 8.267 -0.569 688 HG1 THR 90 HG1 THR 90 88.646 8.666 0.387 689 HG21 THR 90 HG21 THR 90 89.743 9.913 -1.654 690 HG22 THR 90 HG22 THR 90 88.570 8.625 -1.920 691 HG23 THR 90 HG23 THR 90 90.142 8.564 -2.715 692 H VAL 91 HN VAL 91 91.875 4.982 -1.008 693 HA VAL 91 HA VAL 91 92.255 4.685 1.910 694 HB VAL 91 HB VAL 91 92.124 2.393 -0.067 695 HG11 VAL 91 HG11 VAL 91 93.767 1.890 1.595 696 HG12 VAL 91 HG12 VAL 91 92.298 1.070 2.114 697 HG13 VAL 91 HG13 VAL 91 92.778 2.582 2.880 698 HG21 VAL 91 HG21 VAL 91 90.131 1.720 1.224 699 HG22 VAL 91 HG22 VAL 91 89.901 3.323 0.530 700 HG23 VAL 91 HG23 VAL 91 90.297 3.151 2.240 701 H ARG 92 HN ARG 92 94.326 5.118 2.383 702 HA ARG 92 HA ARG 92 96.360 4.909 0.257 703 HB2 ARG 92 HB2 ARG 92 96.024 7.108 1.363 704 HB3 ARG 92 HB1 ARG 92 96.462 6.369 2.902 705 HG2 ARG 92 HG2 ARG 92 98.673 5.759 1.977 706 HG3 ARG 92 HG1 ARG 92 98.235 6.513 0.445 707 HD2 ARG 92 HD2 ARG 92 99.537 8.108 1.706 708 HD3 ARG 92 HD1 ARG 92 97.865 8.660 1.695 709 HE ARG 92 HE ARG 92 97.740 8.225 3.993 710 HH11 ARG 92 HH11 ARG 92 100.604 6.905 2.582 711 HH12 ARG 92 HH12 ARG 92 101.375 6.585 4.100 712 HH21 ARG 92 HH21 ARG 92 98.756 7.839 5.993 713 HH22 ARG 92 HH22 ARG 92 100.328 7.115 6.031 714 H GLY 93 HN GLY 93 98.187 3.698 0.475 715 HA2 GLY 93 HA2 GLY 93 98.830 2.435 3.025 716 HA3 GLY 93 HA1 GLY 93 98.336 1.347 1.734 717 H GLY 94 HN GLY 94 100.466 4.217 1.974 718 HA2 GLY 94 HA2 GLY 94 102.360 3.019 0.122 719 HA3 GLY 94 HA1 GLY 94 102.487 4.610 0.865 720 H LEU 95 HN LEU 95 103.382 4.805 2.969 721 HA LEU 95 HA LEU 95 105.090 2.517 3.739 722 HB2 LEU 95 HB2 LEU 95 106.268 4.592 3.172 723 HB3 LEU 95 HB1 LEU 95 105.320 5.474 4.365 724 HG LEU 95 HG LEU 95 106.290 4.158 6.179 725 HD11 LEU 95 HD11 LEU 95 107.437 2.572 3.887 726 HD12 LEU 95 HD12 LEU 95 106.671 1.994 5.367 727 HD13 LEU 95 HD13 LEU 95 108.310 2.636 5.418 728 HD21 LEU 95 HD21 LEU 95 108.542 4.991 4.337 729 HD22 LEU 95 HD22 LEU 95 108.508 5.057 6.098 730 HD23 LEU 95 HD23 LEU 95 107.507 6.160 5.154 731 H GLU 96 HN GLU 96 104.604 1.400 5.503 732 HA GLU 96 HA GLU 96 102.598 2.417 7.386 733 HB2 GLU 96 HB2 GLU 96 103.901 -0.297 7.073 734 HB3 GLU 96 HB1 GLU 96 102.701 0.088 8.305 735 HG2 GLU 96 HG2 GLU 96 102.258 0.362 5.315 736 HG3 GLU 96 HG1 GLU 96 101.699 -0.995 6.291 737 H HIS 97 HN HIS 97 106.029 1.962 7.195 738 HA HIS 97 HA HIS 97 106.388 1.978 10.097 739 HB2 HIS 97 HB2 HIS 97 108.326 1.890 7.782 740 HB3 HIS 97 HB1 HIS 97 108.838 1.997 9.466 741 HD1 HIS 97 HD1 HIS 97 107.562 0.037 11.040 742 HD2 HIS 97 HD2 HIS 97 108.090 -0.735 6.979 743 HE1 HIS 97 HE1 HIS 97 107.351 -2.468 10.758 744 H HIS 98 HN HIS 98 106.608 3.750 11.273 745 HA HIS 98 HA HIS 98 107.734 6.197 10.080 746 HB2 HIS 98 HB2 HIS 98 105.095 6.051 11.560 747 HB3 HIS 98 HB1 HIS 98 105.941 7.548 11.162 748 HD1 HIS 98 HD1 HIS 98 106.340 7.991 8.537 749 HD2 HIS 98 HD2 HIS 98 103.588 4.997 9.458 750 HE1 HIS 98 HE1 HIS 98 105.022 7.552 6.419 751 H HIS 99 HN HIS 99 106.166 5.235 13.136 752 HA HIS 99 HA HIS 99 108.663 5.305 14.584 753 HB2 HIS 99 HB2 HIS 99 107.568 7.081 16.211 754 HB3 HIS 99 HB1 HIS 99 108.460 7.615 14.790 755 HD1 HIS 99 HD1 HIS 99 104.897 6.995 15.940 756 HD2 HIS 99 HD2 HIS 99 106.944 9.017 12.921 757 HE1 HIS 99 HE1 HIS 99 103.171 8.384 14.710 758 H HIS 100 HN HIS 100 105.130 5.435 14.824 759 HA HIS 100 HA HIS 100 105.231 3.233 16.813 760 HB2 HIS 100 HB2 HIS 100 103.402 5.651 16.813 761 HB3 HIS 100 HB1 HIS 100 103.248 4.267 17.898 762 HD1 HIS 100 HD1 HIS 100 105.690 7.036 17.014 763 HD2 HIS 100 HD2 HIS 100 104.961 4.331 20.101 764 HE1 HIS 100 HE1 HIS 100 107.269 7.652 18.897 765 H HIS 101 HN HIS 101 103.560 1.734 16.711 766 HA HIS 101 HA HIS 101 101.485 1.993 14.680 767 HB2 HIS 101 HB2 HIS 101 102.070 -0.117 13.557 768 HB3 HIS 101 HB1 HIS 101 103.341 1.086 13.366 769 HD1 HIS 101 HD1 HIS 101 105.152 0.859 15.612 770 HD2 HIS 101 HD2 HIS 101 103.207 -2.534 14.173 771 HE1 HIS 101 HE1 HIS 101 106.526 -1.134 16.370 772 H HIS 102 HN HIS 102 99.866 0.313 14.837 773 HA HIS 102 HA HIS 102 99.190 -0.300 17.502 774 HB2 HIS 102 HB2 HIS 102 98.175 -1.540 14.932 775 HB3 HIS 102 HB1 HIS 102 97.393 -1.665 16.508 776 HD1 HIS 102 HD1 HIS 102 96.639 0.700 17.600 777 HD2 HIS 102 HD2 HIS 102 97.545 0.785 13.532 778 HE1 HIS 102 HE1 HIS 102 95.656 2.847 16.689 Start of MODEL 18 1 H1 THR 1 HT1 THR 1 56.318 4.266 3.394 2 H2 THR 1 HT2 THR 1 54.702 4.655 3.747 3 H3 THR 1 HT3 THR 1 55.331 4.949 2.195 4 HA THR 1 HA THR 1 55.789 2.286 2.580 5 HB THR 1 HB THR 1 54.287 2.412 4.562 6 HG1 THR 1 HG1 THR 1 54.363 0.571 3.107 7 HG21 THR 1 HG21 THR 1 52.906 4.315 3.438 8 HG22 THR 1 HG22 THR 1 52.052 3.125 4.420 9 HG23 THR 1 HG23 THR 1 52.024 2.999 2.662 10 H ALA 2 HN ALA 2 55.244 4.766 0.855 11 HA ALA 2 HA ALA 2 54.205 3.307 -1.410 12 HB1 ALA 2 HB1 ALA 2 52.452 5.174 -1.819 13 HB2 ALA 2 HB2 ALA 2 52.606 5.496 -0.092 14 HB3 ALA 2 HB3 ALA 2 52.060 3.915 -0.648 15 H LYS 3 HN LYS 3 56.160 5.607 -0.011 16 HA LYS 3 HA LYS 3 56.669 6.963 -2.594 17 HB2 LYS 3 HB2 LYS 3 55.651 8.339 -0.667 18 HB3 LYS 3 HB1 LYS 3 57.206 8.126 0.143 19 HG2 LYS 3 HG2 LYS 3 58.366 9.182 -1.716 20 HG3 LYS 3 HG1 LYS 3 56.864 9.290 -2.637 21 HD2 LYS 3 HD2 LYS 3 55.903 10.754 -0.892 22 HD3 LYS 3 HD1 LYS 3 57.417 10.661 0.009 23 HE2 LYS 3 HE2 LYS 3 58.619 11.668 -1.895 24 HE3 LYS 3 HE1 LYS 3 57.109 11.757 -2.802 25 HZ1 LYS 3 HZ1 LYS 3 56.566 12.930 -0.382 26 HZ2 LYS 3 HZ2 LYS 3 56.809 13.728 -1.862 27 HZ3 LYS 3 HZ3 LYS 3 58.109 13.505 -0.791 28 H ASN 4 HN ASN 4 58.871 7.295 -3.136 29 HA ASN 4 HA ASN 4 60.889 6.127 -1.328 30 HB2 ASN 4 HB2 ASN 4 61.923 4.929 -3.158 31 HB3 ASN 4 HB1 ASN 4 60.239 4.442 -3.050 32 HD21 ASN 4 HD21 ASN 4 61.966 4.357 -5.461 33 HD22 ASN 4 HD22 ASN 4 61.206 5.344 -6.614 34 H THR 5 HN THR 5 62.060 7.951 -0.809 35 HA THR 5 HA THR 5 63.248 9.462 -3.027 36 HB THR 5 HB THR 5 61.666 10.822 -0.835 37 HG1 THR 5 HG1 THR 5 60.311 9.862 -2.350 38 HG21 THR 5 HG21 THR 5 62.091 12.841 -2.233 39 HG22 THR 5 HG22 THR 5 63.135 11.871 -3.271 40 HG23 THR 5 HG23 THR 5 63.575 12.145 -1.585 41 H VAL 6 HN VAL 6 65.321 9.497 -2.619 42 HA VAL 6 HA VAL 6 66.505 8.961 -0.119 43 HB VAL 6 HB VAL 6 67.615 10.073 -2.696 44 HG11 VAL 6 HG11 VAL 6 69.894 9.583 -1.554 45 HG12 VAL 6 HG12 VAL 6 69.004 9.701 -0.035 46 HG13 VAL 6 HG13 VAL 6 69.077 11.086 -1.123 47 HG21 VAL 6 HG21 VAL 6 68.653 7.901 -2.858 48 HG22 VAL 6 HG22 VAL 6 66.963 7.634 -2.437 49 HG23 VAL 6 HG23 VAL 6 68.207 7.505 -1.200 50 H VAL 7 HN VAL 7 67.159 10.140 1.515 51 HA VAL 7 HA VAL 7 66.675 13.056 1.444 52 HB VAL 7 HB VAL 7 66.937 11.147 3.783 53 HG11 VAL 7 HG11 VAL 7 66.576 14.144 3.593 54 HG12 VAL 7 HG12 VAL 7 67.811 13.254 4.484 55 HG13 VAL 7 HG13 VAL 7 66.137 13.234 5.039 56 HG21 VAL 7 HG21 VAL 7 64.561 11.571 4.098 57 HG22 VAL 7 HG22 VAL 7 64.812 11.026 2.437 58 HG23 VAL 7 HG23 VAL 7 64.557 12.739 2.775 59 H ARG 8 HN ARG 8 69.011 10.517 2.134 60 HA ARG 8 HA ARG 8 71.178 12.504 1.983 61 HB2 ARG 8 HB2 ARG 8 71.308 12.287 4.272 62 HB3 ARG 8 HB1 ARG 8 70.495 10.728 4.273 63 HG2 ARG 8 HG2 ARG 8 72.489 9.568 3.642 64 HG3 ARG 8 HG1 ARG 8 73.327 11.072 3.241 65 HD2 ARG 8 HD2 ARG 8 72.349 10.304 6.008 66 HD3 ARG 8 HD1 ARG 8 74.017 10.160 5.458 67 HE ARG 8 HE ARG 8 72.621 12.619 6.155 68 HH11 ARG 8 HH21 ARG 8 73.882 13.320 3.594 69 HH12 ARG 8 HH22 ARG 8 75.492 13.775 4.044 70 HH21 ARG 8 HH11 ARG 8 75.329 12.265 7.162 71 HH22 ARG 8 HH12 ARG 8 76.311 13.178 6.064 72 H GLY 9 HN GLY 9 72.577 11.899 0.479 73 HA2 GLY 9 HA2 GLY 9 72.585 9.124 -0.433 74 HA3 GLY 9 HA1 GLY 9 73.321 10.502 -1.260 75 H LEU 10 HN LEU 10 74.986 8.546 -1.194 76 HA LEU 10 HA LEU 10 76.483 8.239 1.223 77 HB2 LEU 10 HB2 LEU 10 77.146 7.591 -1.651 78 HB3 LEU 10 HB1 LEU 10 78.105 7.080 -0.260 79 HG LEU 10 HG LEU 10 75.158 6.477 -0.603 80 HD11 LEU 10 HD11 LEU 10 76.682 5.400 -2.325 81 HD12 LEU 10 HD12 LEU 10 75.777 4.266 -1.323 82 HD13 LEU 10 HD13 LEU 10 77.480 4.573 -0.990 83 HD21 LEU 10 HD21 LEU 10 76.065 4.611 1.136 84 HD22 LEU 10 HD22 LEU 10 75.463 6.180 1.655 85 HD23 LEU 10 HD23 LEU 10 77.194 5.914 1.514 86 H GLU 11 HN GLU 11 78.933 8.737 1.218 87 HA GLU 11 HA GLU 11 79.513 11.322 -0.075 88 HB2 GLU 11 HB2 GLU 11 79.794 10.709 2.882 89 HB3 GLU 11 HB1 GLU 11 80.430 12.149 2.084 90 HG2 GLU 11 HG2 GLU 11 78.157 12.781 1.389 91 HG3 GLU 11 HG1 GLU 11 77.511 11.335 2.167 92 H ASN 12 HN ASN 12 81.866 11.896 0.293 93 HA ASN 12 HA ASN 12 83.544 9.821 -0.641 94 HB2 ASN 12 HB2 ASN 12 84.059 12.171 -1.055 95 HB3 ASN 12 HB1 ASN 12 84.237 12.463 0.673 96 HD21 ASN 12 HD21 ASN 12 85.833 11.177 -2.176 97 HD22 ASN 12 HD22 ASN 12 87.310 10.824 -1.417 98 H VAL 13 HN VAL 13 85.191 8.638 0.439 99 HA VAL 13 HA VAL 13 85.069 8.660 3.406 100 HB VAL 13 HB VAL 13 84.932 6.252 1.583 101 HG11 VAL 13 HG11 VAL 13 84.811 5.083 3.937 102 HG12 VAL 13 HG12 VAL 13 85.671 6.519 4.493 103 HG13 VAL 13 HG13 VAL 13 86.387 5.485 3.255 104 HG21 VAL 13 HG21 VAL 13 83.116 7.378 3.740 105 HG22 VAL 13 HG22 VAL 13 82.864 5.826 2.939 106 HG23 VAL 13 HG23 VAL 13 82.782 7.325 2.010 107 H GLU 14 HN GLU 14 86.985 8.701 4.379 108 HA GLU 14 HA GLU 14 89.420 8.047 2.806 109 HB2 GLU 14 HB2 GLU 14 88.903 10.328 4.715 110 HB3 GLU 14 HB1 GLU 14 90.523 9.846 4.215 111 HG2 GLU 14 HG2 GLU 14 89.985 10.254 1.887 112 HG3 GLU 14 HG1 GLU 14 88.300 10.578 2.288 113 H ALA 15 HN ALA 15 90.719 6.560 3.674 114 HA ALA 15 HA ALA 15 90.997 6.300 6.557 115 HB1 ALA 15 HB1 ALA 15 90.470 3.854 6.517 116 HB2 ALA 15 HB2 ALA 15 89.841 4.057 4.881 117 HB3 ALA 15 HB3 ALA 15 89.065 4.882 6.233 118 H LEU 16 HN LEU 16 92.944 5.458 7.143 119 HA LEU 16 HA LEU 16 94.975 5.207 5.133 120 HB2 LEU 16 HB2 LEU 16 94.917 4.862 8.132 121 HB3 LEU 16 HB1 LEU 16 96.359 4.472 7.200 122 HG LEU 16 HG LEU 16 96.252 6.811 6.231 123 HD11 LEU 16 HD11 LEU 16 93.974 7.436 6.628 124 HD12 LEU 16 HD12 LEU 16 94.946 8.439 7.704 125 HD13 LEU 16 HD13 LEU 16 94.092 7.036 8.342 126 HD21 LEU 16 HD21 LEU 16 96.630 6.316 9.189 127 HD22 LEU 16 HD22 LEU 16 97.006 7.872 8.452 128 HD23 LEU 16 HD23 LEU 16 97.865 6.421 7.935 129 H GLU 17 HN GLU 17 96.376 3.292 4.885 130 HA GLU 17 HA GLU 17 95.090 0.986 4.130 131 HB2 GLU 17 HB2 GLU 17 97.429 1.395 3.626 132 HB3 GLU 17 HB1 GLU 17 97.868 1.205 5.315 133 HG2 GLU 17 HG2 GLU 17 96.410 -1.005 3.867 134 HG3 GLU 17 HG1 GLU 17 98.151 -0.834 3.685 135 H GLY 18 HN GLY 18 94.750 -1.060 5.029 136 HA2 GLY 18 HA2 GLY 18 93.984 -2.515 6.617 137 HA3 GLY 18 HA1 GLY 18 95.306 -1.915 7.607 138 H GLY 19 HN GLY 19 92.877 0.322 6.522 139 HA2 GLY 19 HA2 GLY 19 92.043 0.752 9.303 140 HA3 GLY 19 HA1 GLY 19 91.723 1.815 7.939 141 H GLU 20 HN GLU 20 89.618 1.610 9.336 142 HA GLU 20 HA GLU 20 87.892 -0.540 8.217 143 HB2 GLU 20 HB2 GLU 20 88.109 -0.585 10.682 144 HB3 GLU 20 HB1 GLU 20 87.564 1.090 10.758 145 HG2 GLU 20 HG2 GLU 20 85.413 0.462 9.770 146 HG3 GLU 20 HG1 GLU 20 85.953 -1.209 9.616 147 H ALA 21 HN ALA 21 85.756 0.138 7.437 148 HA ALA 21 HA ALA 21 85.185 3.003 7.377 149 HB1 ALA 21 HB1 ALA 21 85.123 2.953 4.797 150 HB2 ALA 21 HB2 ALA 21 86.150 1.530 4.939 151 HB3 ALA 21 HB3 ALA 21 86.697 3.077 5.582 152 H LEU 22 HN LEU 22 83.107 3.563 6.541 153 HA LEU 22 HA LEU 22 81.350 1.386 5.683 154 HB2 LEU 22 HB2 LEU 22 79.685 2.539 7.556 155 HB3 LEU 22 HB1 LEU 22 80.586 1.050 7.808 156 HG LEU 22 HG LEU 22 82.481 2.423 8.745 157 HD11 LEU 22 HD11 LEU 22 80.403 4.628 8.551 158 HD12 LEU 22 HD12 LEU 22 81.915 4.555 7.648 159 HD13 LEU 22 HD13 LEU 22 81.943 4.756 9.399 160 HD21 LEU 22 HD21 LEU 22 79.788 2.770 10.095 161 HD22 LEU 22 HD22 LEU 22 81.360 2.848 10.888 162 HD23 LEU 22 HD23 LEU 22 80.798 1.329 10.192 163 H PHE 23 HN PHE 23 79.413 2.033 4.729 164 HA PHE 23 HA PHE 23 79.251 4.892 3.938 165 HB2 PHE 23 HB2 PHE 23 78.845 2.342 2.374 166 HB3 PHE 23 HB1 PHE 23 78.138 3.857 1.842 167 HD1 PHE 23 HD2 PHE 23 79.538 5.723 1.092 168 HD2 PHE 23 HD1 PHE 23 81.262 1.995 2.360 169 HE1 PHE 23 HE2 PHE 23 81.696 6.367 0.057 170 HE2 PHE 23 HE1 PHE 23 83.417 2.643 1.320 171 HZ PHE 23 HZ PHE 23 83.630 4.828 0.169 172 H GLU 24 HN GLU 24 77.545 5.749 5.049 173 HA GLU 24 HA GLU 24 75.108 4.096 5.439 174 HB2 GLU 24 HB2 GLU 24 76.149 6.550 6.864 175 HB3 GLU 24 HB1 GLU 24 74.531 5.900 7.123 176 HG2 GLU 24 HG2 GLU 24 75.444 3.784 7.885 177 HG3 GLU 24 HG1 GLU 24 77.082 4.303 7.488 178 H CYS 25 HN CYS 25 73.372 4.490 4.253 179 HA CYS 25 HA CYS 25 72.866 7.226 3.203 180 HB2 CYS 25 HB2 CYS 25 71.665 5.520 1.353 181 HB3 CYS 25 HB1 CYS 25 73.208 6.336 1.119 182 HG CYS 25 HG CYS 25 74.289 4.095 2.262 183 H GLN 26 HN GLN 26 71.015 7.987 3.904 184 HA GLN 26 HA GLN 26 68.948 6.115 4.911 185 HB2 GLN 26 HB2 GLN 26 69.823 7.664 6.592 186 HB3 GLN 26 HB1 GLN 26 69.457 9.035 5.544 187 HG2 GLN 26 HG2 GLN 26 67.095 8.576 5.659 188 HG3 GLN 26 HG1 GLN 26 67.381 7.065 6.520 189 HE21 GLN 26 HE21 GLN 26 66.721 7.392 8.659 190 HE22 GLN 26 HE22 GLN 26 67.108 8.758 9.591 191 H LEU 27 HN LEU 27 66.711 6.629 4.415 192 HA LEU 27 HA LEU 27 66.211 8.625 2.357 193 HB2 LEU 27 HB2 LEU 27 65.203 6.820 0.831 194 HB3 LEU 27 HB1 LEU 27 66.954 6.962 0.875 195 HG LEU 27 HG LEU 27 67.173 5.040 2.298 196 HD11 LEU 27 HD11 LEU 27 64.154 5.175 2.508 197 HD12 LEU 27 HD12 LEU 27 65.333 5.216 3.825 198 HD13 LEU 27 HD13 LEU 27 65.070 3.730 2.921 199 HD21 LEU 27 HD21 LEU 27 65.088 4.523 0.164 200 HD22 LEU 27 HD22 LEU 27 66.158 3.308 0.868 201 HD23 LEU 27 HD23 LEU 27 66.829 4.616 -0.108 202 H SER 28 HN SER 28 63.836 7.864 1.398 203 HA SER 28 HA SER 28 62.096 7.537 3.774 204 HB2 SER 28 HB2 SER 28 61.698 9.252 1.312 205 HB3 SER 28 HB1 SER 28 60.427 8.912 2.482 206 HG SER 28 HG SER 28 62.629 10.566 2.655 207 H GLN 29 HN GLN 29 61.766 5.362 3.553 208 HA GLN 29 HA GLN 29 59.825 4.411 1.763 209 HB2 GLN 29 HB2 GLN 29 61.902 4.598 0.245 210 HB3 GLN 29 HB1 GLN 29 62.555 3.260 1.183 211 HG2 GLN 29 HG2 GLN 29 60.501 1.942 0.651 212 HG3 GLN 29 HG1 GLN 29 59.959 3.265 -0.379 213 HE21 GLN 29 HE21 GLN 29 60.106 1.889 -2.314 214 HE22 GLN 29 HE22 GLN 29 61.616 1.476 -2.971 215 HA PRO 30 HA PRO 30 60.544 2.046 5.649 216 HB2 PRO 30 HB2 PRO 30 57.799 1.125 5.599 217 HB3 PRO 30 HB1 PRO 30 58.549 2.282 6.706 218 HG2 PRO 30 HG2 PRO 30 56.675 2.855 4.677 219 HG3 PRO 30 HG1 PRO 30 57.599 4.021 5.632 220 HD2 PRO 30 HD2 PRO 30 57.981 3.232 2.821 221 HD3 PRO 30 HD1 PRO 30 58.637 4.630 3.696 222 H GLU 31 HN GLU 31 59.479 0.921 2.541 223 HA GLU 31 HA GLU 31 60.580 -1.716 3.177 224 HB2 GLU 31 HB2 GLU 31 58.636 -2.911 2.319 225 HB3 GLU 31 HB1 GLU 31 58.153 -1.895 3.673 226 HG2 GLU 31 HG2 GLU 31 56.482 -1.396 2.120 227 HG3 GLU 31 HG1 GLU 31 57.639 -0.108 1.803 228 H VAL 32 HN VAL 32 61.765 -2.433 1.551 229 HA VAL 32 HA VAL 32 62.165 -0.871 -0.744 230 HB VAL 32 HB VAL 32 63.971 -2.140 0.225 231 HG11 VAL 32 HG11 VAL 32 63.988 -4.543 0.340 232 HG12 VAL 32 HG12 VAL 32 62.493 -4.657 -0.591 233 HG13 VAL 32 HG13 VAL 32 62.462 -4.016 1.051 234 HG21 VAL 32 HG21 VAL 32 63.300 -3.506 -2.383 235 HG22 VAL 32 HG22 VAL 32 64.884 -3.036 -1.770 236 HG23 VAL 32 HG23 VAL 32 63.747 -1.803 -2.315 237 H ALA 33 HN ALA 33 61.854 -1.291 -2.846 238 HA ALA 33 HA ALA 33 59.674 -3.177 -3.566 239 HB1 ALA 33 HB1 ALA 33 60.540 -0.765 -5.172 240 HB2 ALA 33 HB2 ALA 33 59.324 -0.646 -3.899 241 HB3 ALA 33 HB3 ALA 33 59.038 -1.680 -5.298 242 H ALA 34 HN ALA 34 62.765 -1.766 -4.432 243 HA ALA 34 HA ALA 34 63.803 -4.195 -5.508 244 HB1 ALA 34 HB1 ALA 34 63.194 -1.991 -7.501 245 HB2 ALA 34 HB2 ALA 34 62.402 -3.566 -7.437 246 HB3 ALA 34 HB3 ALA 34 64.115 -3.457 -7.836 247 H HIS 35 HN HIS 35 65.857 -4.081 -4.807 248 HA HIS 35 HA HIS 35 67.308 -1.494 -5.014 249 HB2 HIS 35 HB2 HIS 35 67.039 -3.371 -2.672 250 HB3 HIS 35 HB1 HIS 35 68.464 -2.349 -2.829 251 HD1 HIS 35 HD1 HIS 35 65.413 -0.778 -4.151 252 HD2 HIS 35 HD2 HIS 35 67.339 -1.001 -0.465 253 HE1 HIS 35 HE1 HIS 35 64.383 1.019 -2.693 254 H THR 36 HN THR 36 69.290 -1.606 -5.887 255 HA THR 36 HA THR 36 70.659 -4.243 -6.079 256 HB THR 36 HB THR 36 71.521 -3.558 -8.290 257 HG1 THR 36 HG1 THR 36 71.086 -1.244 -7.698 258 HG21 THR 36 HG21 THR 36 68.515 -3.292 -8.332 259 HG22 THR 36 HG22 THR 36 69.312 -4.825 -7.975 260 HG23 THR 36 HG23 THR 36 69.562 -4.042 -9.535 261 H TRP 37 HN TRP 37 72.660 -4.149 -5.126 262 HA TRP 37 HA TRP 37 73.941 -1.474 -4.859 263 HB2 TRP 37 HB2 TRP 37 72.848 -2.522 -2.773 264 HB3 TRP 37 HB1 TRP 37 74.181 -3.666 -2.808 265 HD1 TRP 37 HD1 TRP 37 76.039 -0.970 -3.998 266 HE1 TRP 37 HE1 TRP 37 77.044 0.510 -2.151 267 HE3 TRP 37 HE3 TRP 37 73.141 -2.398 -0.035 268 HZ2 TRP 37 HZ2 TRP 37 76.676 1.027 0.638 269 HZ3 TRP 37 HZ3 TRP 37 73.494 -1.393 2.200 270 HH2 TRP 37 HH2 TRP 37 75.255 0.316 2.543 271 H LEU 38 HN LEU 38 75.445 -1.646 -6.433 272 HA LEU 38 HA LEU 38 77.495 -3.781 -6.123 273 HB2 LEU 38 HB2 LEU 38 76.679 -2.406 -8.698 274 HB3 LEU 38 HB1 LEU 38 77.904 -3.664 -8.527 275 HG LEU 38 HG LEU 38 74.955 -3.995 -7.866 276 HD11 LEU 38 HD11 LEU 38 75.465 -3.766 -10.308 277 HD12 LEU 38 HD12 LEU 38 74.869 -5.371 -9.887 278 HD13 LEU 38 HD13 LEU 38 76.592 -5.118 -10.169 279 HD21 LEU 38 HD21 LEU 38 75.777 -6.494 -7.962 280 HD22 LEU 38 HD22 LEU 38 76.079 -5.558 -6.502 281 HD23 LEU 38 HD23 LEU 38 77.374 -5.801 -7.675 282 H LEU 39 HN LEU 39 79.272 -2.952 -5.300 283 HA LEU 39 HA LEU 39 79.966 -0.129 -5.787 284 HB2 LEU 39 HB2 LEU 39 81.728 -0.955 -3.865 285 HB3 LEU 39 HB1 LEU 39 80.146 -0.309 -3.490 286 HG LEU 39 HG LEU 39 79.231 -2.628 -3.492 287 HD11 LEU 39 HD11 LEU 39 80.981 -3.662 -4.920 288 HD12 LEU 39 HD12 LEU 39 80.807 -4.508 -3.383 289 HD13 LEU 39 HD13 LEU 39 82.159 -3.407 -3.631 290 HD21 LEU 39 HD21 LEU 39 79.687 -1.728 -1.369 291 HD22 LEU 39 HD22 LEU 39 81.435 -1.809 -1.605 292 HD23 LEU 39 HD23 LEU 39 80.510 -3.285 -1.349 293 H ASP 40 HN ASP 40 82.605 -2.083 -4.806 294 HA ASP 40 HA ASP 40 84.053 -1.693 -7.143 295 HB2 ASP 40 HB2 ASP 40 84.352 -4.245 -5.531 296 HB3 ASP 40 HB1 ASP 40 85.604 -3.264 -6.293 297 H ASP 41 HN ASP 41 84.489 -3.505 -8.743 298 HA ASP 41 HA ASP 41 82.078 -4.304 -9.937 299 HB2 ASP 41 HB2 ASP 41 84.932 -5.148 -10.449 300 HB3 ASP 41 HB1 ASP 41 83.575 -5.674 -11.443 301 H GLU 42 HN GLU 42 82.282 -5.330 -7.203 302 HA GLU 42 HA GLU 42 81.907 -8.202 -7.791 303 HB2 GLU 42 HB2 GLU 42 83.459 -6.932 -5.529 304 HB3 GLU 42 HB1 GLU 42 82.826 -8.575 -5.413 305 HG2 GLU 42 HG2 GLU 42 84.093 -9.251 -7.374 306 HG3 GLU 42 HG1 GLU 42 84.630 -7.593 -7.642 307 HA PRO 43 HA PRO 43 77.972 -7.248 -5.890 308 HB2 PRO 43 HB2 PRO 43 77.664 -9.906 -4.751 309 HB3 PRO 43 HB1 PRO 43 76.825 -9.209 -6.143 310 HG2 PRO 43 HG2 PRO 43 78.934 -11.163 -6.129 311 HG3 PRO 43 HG1 PRO 43 78.037 -10.525 -7.511 312 HD2 PRO 43 HD2 PRO 43 80.764 -9.998 -6.855 313 HD3 PRO 43 HD1 PRO 43 79.810 -9.221 -8.132 314 H VAL 44 HN VAL 44 77.424 -6.501 -3.850 315 HA VAL 44 HA VAL 44 79.516 -6.715 -1.842 316 HB VAL 44 HB VAL 44 78.645 -4.541 -2.388 317 HG11 VAL 44 HG11 VAL 44 75.986 -5.185 -1.155 318 HG12 VAL 44 HG12 VAL 44 76.261 -5.557 -2.851 319 HG13 VAL 44 HG13 VAL 44 76.418 -3.899 -2.274 320 HG21 VAL 44 HG21 VAL 44 77.849 -5.442 0.387 321 HG22 VAL 44 HG22 VAL 44 78.084 -3.779 -0.104 322 HG23 VAL 44 HG23 VAL 44 79.442 -4.898 -0.104 323 H ARG 45 HN ARG 45 79.284 -8.823 -1.246 324 HA ARG 45 HA ARG 45 77.378 -9.245 0.918 325 HB2 ARG 45 HB2 ARG 45 76.264 -10.356 -0.983 326 HB3 ARG 45 HB1 ARG 45 77.750 -11.209 -1.383 327 HG2 ARG 45 HG2 ARG 45 76.533 -12.824 -0.184 328 HG3 ARG 45 HG1 ARG 45 77.582 -12.163 1.058 329 HD2 ARG 45 HD2 ARG 45 75.688 -10.569 1.651 330 HD3 ARG 45 HD1 ARG 45 74.670 -11.512 0.571 331 HE ARG 45 HE ARG 45 76.018 -13.149 2.511 332 HH11 ARG 45 HH21 ARG 45 73.101 -13.198 1.399 333 HH12 ARG 45 HH22 ARG 45 72.210 -12.936 2.862 334 HH21 ARG 45 HH11 ARG 45 74.973 -11.866 4.661 335 HH22 ARG 45 HH12 ARG 45 73.271 -12.182 4.712 336 H THR 46 HN THR 46 79.207 -11.787 -0.520 337 HA THR 46 HA THR 46 81.127 -12.888 0.081 338 HB THR 46 HB THR 46 83.022 -11.565 0.373 339 HG1 THR 46 HG1 THR 46 83.105 -10.176 1.930 340 HG21 THR 46 HG21 THR 46 81.296 -10.725 -1.485 341 HG22 THR 46 HG22 THR 46 82.796 -9.853 -1.170 342 HG23 THR 46 HG23 THR 46 81.283 -9.281 -0.471 343 H SER 47 HN SER 47 82.567 -11.541 2.635 344 HA SER 47 HA SER 47 80.897 -12.861 4.694 345 HB2 SER 47 HB2 SER 47 82.767 -14.335 3.727 346 HB3 SER 47 HB1 SER 47 83.884 -13.242 4.536 347 HG SER 47 HG SER 47 83.013 -13.805 6.480 348 H GLU 48 HN GLU 48 83.315 -12.589 6.502 349 HA GLU 48 HA GLU 48 82.590 -10.242 7.801 350 HB2 GLU 48 HB2 GLU 48 84.658 -10.483 9.085 351 HB3 GLU 48 HB1 GLU 48 83.896 -12.055 8.850 352 HG2 GLU 48 HG2 GLU 48 85.421 -12.415 6.876 353 HG3 GLU 48 HG1 GLU 48 86.257 -10.928 7.318 354 H ASN 49 HN ASN 49 85.182 -10.753 5.440 355 HA ASN 49 HA ASN 49 86.316 -8.174 5.606 356 HB2 ASN 49 HB2 ASN 49 87.454 -8.701 3.559 357 HB3 ASN 49 HB1 ASN 49 87.364 -10.173 4.521 358 HD21 ASN 49 HD21 ASN 49 87.740 -10.580 1.837 359 HD22 ASN 49 HD22 ASN 49 86.309 -11.113 1.096 360 H ALA 50 HN ALA 50 83.234 -8.802 4.822 361 HA ALA 50 HA ALA 50 82.509 -6.291 3.944 362 HB1 ALA 50 HB1 ALA 50 82.011 -6.940 1.450 363 HB2 ALA 50 HB2 ALA 50 83.308 -8.113 1.685 364 HB3 ALA 50 HB3 ALA 50 83.628 -6.391 1.886 365 H GLU 51 HN GLU 51 80.302 -6.175 4.120 366 HA GLU 51 HA GLU 51 78.476 -8.120 3.221 367 HB2 GLU 51 HB2 GLU 51 79.452 -9.514 5.039 368 HB3 GLU 51 HB1 GLU 51 79.005 -8.271 6.203 369 HG2 GLU 51 HG2 GLU 51 76.650 -8.564 5.677 370 HG3 GLU 51 HG1 GLU 51 77.044 -9.709 4.395 371 H VAL 52 HN VAL 52 76.328 -7.274 3.308 372 HA VAL 52 HA VAL 52 76.120 -4.593 4.402 373 HB VAL 52 HB VAL 52 73.961 -6.126 2.948 374 HG11 VAL 52 HG11 VAL 52 74.713 -3.198 3.150 375 HG12 VAL 52 HG12 VAL 52 73.331 -3.986 3.912 376 HG13 VAL 52 HG13 VAL 52 73.403 -3.834 2.156 377 HG21 VAL 52 HG21 VAL 52 74.844 -5.482 0.834 378 HG22 VAL 52 HG22 VAL 52 76.175 -6.252 1.687 379 HG23 VAL 52 HG23 VAL 52 76.097 -4.489 1.567 380 H VAL 53 HN VAL 53 74.673 -3.958 5.945 381 HA VAL 53 HA VAL 53 72.954 -5.979 7.236 382 HB VAL 53 HB VAL 53 73.571 -4.877 9.457 383 HG11 VAL 53 HG11 VAL 53 75.594 -6.284 9.705 384 HG12 VAL 53 HG12 VAL 53 75.680 -6.456 7.952 385 HG13 VAL 53 HG13 VAL 53 74.315 -7.134 8.839 386 HG21 VAL 53 HG21 VAL 53 75.734 -3.769 9.572 387 HG22 VAL 53 HG22 VAL 53 74.722 -2.924 8.405 388 HG23 VAL 53 HG23 VAL 53 75.989 -4.012 7.843 389 H PHE 54 HN PHE 54 70.980 -5.210 7.832 390 HA PHE 54 HA PHE 54 70.378 -2.405 7.107 391 HB2 PHE 54 HB2 PHE 54 68.728 -4.925 7.203 392 HB3 PHE 54 HB1 PHE 54 67.940 -3.353 7.286 393 HD1 PHE 54 HD2 PHE 54 68.402 -1.657 5.466 394 HD2 PHE 54 HD1 PHE 54 69.468 -5.804 5.109 395 HE1 PHE 54 HE2 PHE 54 68.500 -1.424 3.006 396 HE2 PHE 54 HE1 PHE 54 69.574 -5.563 2.641 397 HZ PHE 54 HZ PHE 54 69.087 -3.371 1.587 398 H PHE 55 HN PHE 55 69.053 -1.142 8.404 399 HA PHE 55 HA PHE 55 68.461 -1.998 11.132 400 HB2 PHE 55 HB2 PHE 55 70.258 0.367 10.517 401 HB3 PHE 55 HB1 PHE 55 69.510 0.066 12.083 402 HD1 PHE 55 HD2 PHE 55 69.947 -2.263 13.173 403 HD2 PHE 55 HD1 PHE 55 72.338 -0.616 10.004 404 HE1 PHE 55 HE2 PHE 55 71.802 -3.796 13.774 405 HE2 PHE 55 HE1 PHE 55 74.192 -2.147 10.610 406 HZ PHE 55 HZ PHE 55 73.926 -3.737 12.493 407 H GLU 56 HN GLU 56 66.936 -0.584 12.164 408 HA GLU 56 HA GLU 56 65.033 0.676 12.202 409 HB2 GLU 56 HB2 GLU 56 66.559 2.277 10.136 410 HB3 GLU 56 HB1 GLU 56 65.064 2.802 10.905 411 HG2 GLU 56 HG2 GLU 56 67.602 2.088 12.403 412 HG3 GLU 56 HG1 GLU 56 67.101 3.732 12.007 413 H ASN 57 HN ASN 57 65.158 -1.626 10.423 414 HA ASN 57 HA ASN 57 63.852 -2.706 8.889 415 HB2 ASN 57 HB2 ASN 57 61.977 -0.371 9.278 416 HB3 ASN 57 HB1 ASN 57 61.563 -1.960 8.642 417 HD21 ASN 57 HD21 ASN 57 63.289 -3.418 10.601 418 HD22 ASN 57 HD22 ASN 57 62.486 -3.301 12.093 419 H GLY 58 HN GLY 58 65.782 -1.621 7.405 420 HA2 GLY 58 HA2 GLY 58 66.170 -1.194 5.161 421 HA3 GLY 58 HA1 GLY 58 64.438 -1.099 4.923 422 H LEU 59 HN LEU 59 64.827 0.984 7.332 423 HA LEU 59 HA LEU 59 64.631 3.288 5.640 424 HB2 LEU 59 HB2 LEU 59 63.461 3.001 7.840 425 HB3 LEU 59 HB1 LEU 59 65.024 3.150 8.626 426 HG LEU 59 HG LEU 59 65.298 5.396 7.540 427 HD11 LEU 59 HD11 LEU 59 62.944 6.376 6.853 428 HD12 LEU 59 HD12 LEU 59 62.553 4.689 6.526 429 HD13 LEU 59 HD13 LEU 59 63.889 5.467 5.679 430 HD21 LEU 59 HD21 LEU 59 63.648 6.527 9.044 431 HD22 LEU 59 HD22 LEU 59 64.555 5.247 9.848 432 HD23 LEU 59 HD23 LEU 59 62.894 4.959 9.332 433 H ARG 60 HN ARG 60 67.188 1.576 7.090 434 HA ARG 60 HA ARG 60 69.117 3.681 6.309 435 HB2 ARG 60 HB2 ARG 60 68.786 3.707 8.809 436 HB3 ARG 60 HB1 ARG 60 69.375 2.045 8.847 437 HG2 ARG 60 HG2 ARG 60 71.487 2.786 7.774 438 HG3 ARG 60 HG1 ARG 60 70.904 4.450 7.810 439 HD2 ARG 60 HD2 ARG 60 71.221 2.710 10.269 440 HD3 ARG 60 HD1 ARG 60 72.418 3.882 9.729 441 HE ARG 60 HE ARG 60 69.954 4.463 11.095 442 HH11 ARG 60 HH21 ARG 60 72.308 5.607 8.827 443 HH12 ARG 60 HH22 ARG 60 71.957 7.280 9.097 444 HH21 ARG 60 HH11 ARG 60 69.479 6.658 11.441 445 HH22 ARG 60 HH12 ARG 60 70.357 7.876 10.577 446 H HIS 61 HN HIS 61 71.017 2.929 5.470 447 HA HIS 61 HA HIS 61 71.306 -0.009 5.130 448 HB2 HIS 61 HB2 HIS 61 72.133 1.975 3.011 449 HB3 HIS 61 HB1 HIS 61 71.891 0.235 2.864 450 HD1 HIS 61 HD1 HIS 61 69.565 2.908 4.280 451 HD2 HIS 61 HD2 HIS 61 69.636 0.004 1.292 452 HE1 HIS 61 HE1 HIS 61 67.259 2.898 3.235 453 H LEU 62 HN LEU 62 73.003 -0.457 6.434 454 HA LEU 62 HA LEU 62 75.368 1.329 6.338 455 HB2 LEU 62 HB2 LEU 62 74.030 1.050 8.479 456 HB3 LEU 62 HB1 LEU 62 74.561 -0.620 8.506 457 HG LEU 62 HG LEU 62 76.552 1.649 8.308 458 HD11 LEU 62 HD11 LEU 62 75.302 2.187 10.276 459 HD12 LEU 62 HD12 LEU 62 76.751 1.350 10.837 460 HD13 LEU 62 HD13 LEU 62 75.210 0.494 10.763 461 HD21 LEU 62 HD21 LEU 62 76.650 -1.271 9.127 462 HD22 LEU 62 HD22 LEU 62 77.911 -0.142 9.612 463 HD23 LEU 62 HD23 LEU 62 77.613 -0.442 7.906 464 H LEU 63 HN LEU 63 77.004 0.500 5.214 465 HA LEU 63 HA LEU 63 77.315 -2.448 4.986 466 HB2 LEU 63 HB2 LEU 63 77.007 -1.500 2.816 467 HB3 LEU 63 HB1 LEU 63 78.083 -0.152 3.170 468 HG LEU 63 HG LEU 63 80.015 -1.705 3.257 469 HD11 LEU 63 HD11 LEU 63 79.181 -3.764 4.005 470 HD12 LEU 63 HD12 LEU 63 79.460 -4.080 2.293 471 HD13 LEU 63 HD13 LEU 63 77.832 -3.744 2.874 472 HD21 LEU 63 HD21 LEU 63 79.811 -2.509 0.803 473 HD22 LEU 63 HD22 LEU 63 79.739 -0.779 1.126 474 HD23 LEU 63 HD23 LEU 63 78.254 -1.675 0.814 475 H LEU 64 HN LEU 64 79.040 -3.329 6.130 476 HA LEU 64 HA LEU 64 81.122 -1.476 7.027 477 HB2 LEU 64 HB2 LEU 64 79.875 -2.854 8.686 478 HB3 LEU 64 HB1 LEU 64 80.502 -4.304 7.906 479 HG LEU 64 HG LEU 64 82.816 -3.542 8.379 480 HD11 LEU 64 HD11 LEU 64 81.333 -1.162 9.463 481 HD12 LEU 64 HD12 LEU 64 82.838 -1.219 8.546 482 HD13 LEU 64 HD13 LEU 64 82.833 -1.651 10.250 483 HD21 LEU 64 HD21 LEU 64 81.403 -4.961 9.973 484 HD22 LEU 64 HD22 LEU 64 81.157 -3.486 10.908 485 HD23 LEU 64 HD23 LEU 64 82.783 -4.133 10.697 486 H LEU 65 HN LEU 65 83.084 -1.556 6.338 487 HA LEU 65 HA LEU 65 84.057 -3.757 4.621 488 HB2 LEU 65 HB2 LEU 65 84.915 -0.849 4.674 489 HB3 LEU 65 HB1 LEU 65 85.581 -2.097 3.623 490 HG LEU 65 HG LEU 65 82.681 -1.206 3.637 491 HD11 LEU 65 HD11 LEU 65 83.973 0.587 2.742 492 HD12 LEU 65 HD12 LEU 65 83.374 -0.299 1.340 493 HD13 LEU 65 HD13 LEU 65 85.041 -0.515 1.875 494 HD21 LEU 65 HD21 LEU 65 82.708 -3.435 2.821 495 HD22 LEU 65 HD22 LEU 65 84.259 -3.211 2.011 496 HD23 LEU 65 HD23 LEU 65 82.803 -2.458 1.360 497 H LYS 66 HN LYS 66 86.595 -3.874 4.780 498 HA LYS 66 HA LYS 66 87.650 -3.124 7.365 499 HB2 LYS 66 HB2 LYS 66 86.220 -5.297 7.599 500 HB3 LYS 66 HB1 LYS 66 87.573 -6.074 6.785 501 HG2 LYS 66 HG2 LYS 66 89.102 -5.403 8.531 502 HG3 LYS 66 HG1 LYS 66 87.873 -4.391 9.288 503 HD2 LYS 66 HD2 LYS 66 88.014 -6.471 10.529 504 HD3 LYS 66 HD1 LYS 66 86.483 -6.446 9.654 505 HE2 LYS 66 HE2 LYS 66 87.253 -7.985 8.029 506 HE3 LYS 66 HE1 LYS 66 88.945 -7.742 8.475 507 HZ1 LYS 66 HZ1 LYS 66 87.880 -8.557 10.789 508 HZ2 LYS 66 HZ2 LYS 66 88.616 -9.596 9.663 509 HZ3 LYS 66 HZ3 LYS 66 86.926 -9.423 9.687 510 H ASN 67 HN ASN 67 89.882 -4.034 7.653 511 HA ASN 67 HA ASN 67 92.059 -3.801 6.808 512 HB2 ASN 67 HB2 ASN 67 91.397 -6.238 6.842 513 HB3 ASN 67 HB1 ASN 67 91.072 -6.099 5.116 514 HD21 ASN 67 HD21 ASN 67 93.378 -7.293 7.048 515 HD22 ASN 67 HD22 ASN 67 94.773 -6.918 6.156 516 H LEU 68 HN LEU 68 90.641 -1.841 5.543 517 HA LEU 68 HA LEU 68 90.621 -2.074 2.711 518 HB2 LEU 68 HB2 LEU 68 90.521 0.304 4.569 519 HB3 LEU 68 HB1 LEU 68 90.492 0.483 2.820 520 HG LEU 68 HG LEU 68 88.518 -1.347 3.033 521 HD11 LEU 68 HD11 LEU 68 88.853 -1.452 5.540 522 HD12 LEU 68 HD12 LEU 68 87.210 -1.071 5.031 523 HD13 LEU 68 HD13 LEU 68 88.269 0.210 5.619 524 HD21 LEU 68 HD21 LEU 68 86.915 0.499 2.986 525 HD22 LEU 68 HD22 LEU 68 88.341 0.935 2.048 526 HD23 LEU 68 HD23 LEU 68 88.119 1.594 3.667 527 H ARG 69 HN ARG 69 92.291 -2.292 1.458 528 HA ARG 69 HA ARG 69 94.866 -1.000 2.125 529 HB2 ARG 69 HB2 ARG 69 94.734 -2.872 -0.189 530 HB3 ARG 69 HB1 ARG 69 95.919 -2.778 1.115 531 HG2 ARG 69 HG2 ARG 69 94.201 -3.794 2.649 532 HG3 ARG 69 HG1 ARG 69 93.172 -4.046 1.240 533 HD2 ARG 69 HD2 ARG 69 94.949 -5.402 0.186 534 HD3 ARG 69 HD1 ARG 69 95.970 -5.153 1.599 535 HE ARG 69 HE ARG 69 94.464 -6.520 2.883 536 HH11 ARG 69 HH11 ARG 69 91.964 -6.017 1.196 537 HH12 ARG 69 HH12 ARG 69 91.740 -7.562 0.446 538 HH21 ARG 69 HH21 ARG 69 94.941 -8.675 1.179 539 HH22 ARG 69 HH22 ARG 69 93.426 -9.067 0.436 540 HA PRO 70 HA PRO 70 94.508 1.782 -1.252 541 HB2 PRO 70 HB2 PRO 70 96.626 0.935 -3.046 542 HB3 PRO 70 HB1 PRO 70 96.646 2.274 -1.889 543 HG2 PRO 70 HG2 PRO 70 98.096 -0.124 -1.686 544 HG3 PRO 70 HG1 PRO 70 97.874 1.082 -0.411 545 HD2 PRO 70 HD2 PRO 70 96.597 -1.563 -0.710 546 HD3 PRO 70 HD1 PRO 70 96.756 -0.559 0.746 547 H GLN 71 HN GLN 71 94.933 -1.509 -2.318 548 HA GLN 71 HA GLN 71 94.062 -1.407 -4.941 549 HB2 GLN 71 HB2 GLN 71 94.956 -3.421 -3.763 550 HB3 GLN 71 HB1 GLN 71 93.395 -3.599 -2.966 551 HG2 GLN 71 HG2 GLN 71 93.412 -5.047 -4.906 552 HG3 GLN 71 HG1 GLN 71 92.319 -3.706 -5.248 553 HE21 GLN 71 HE21 GLN 71 95.892 -4.243 -5.513 554 HE22 GLN 71 HE22 GLN 71 96.005 -3.617 -7.087 555 H ASP 72 HN ASP 72 91.990 -1.996 -2.054 556 HA ASP 72 HA ASP 72 89.594 -2.321 -3.250 557 HB2 ASP 72 HB2 ASP 72 88.581 -1.346 -1.197 558 HB3 ASP 72 HB1 ASP 72 89.844 -2.532 -0.877 559 H SER 73 HN SER 73 91.222 0.854 -2.912 560 HA SER 73 HA SER 73 89.336 2.698 -3.150 561 HB2 SER 73 HB2 SER 73 90.801 4.038 -4.423 562 HB3 SER 73 HB1 SER 73 91.851 2.956 -3.513 563 HG SER 73 HG SER 73 92.557 2.814 -5.572 564 H CYS 74 HN CYS 74 87.394 2.309 -3.995 565 HA CYS 74 HA CYS 74 87.148 2.308 -6.905 566 HB2 CYS 74 HB2 CYS 74 86.002 0.072 -5.217 567 HB3 CYS 74 HB1 CYS 74 85.557 0.388 -6.892 568 HG CYS 74 HG CYS 74 88.577 -0.012 -6.393 569 H ARG 75 HN ARG 75 84.680 2.257 -7.462 570 HA ARG 75 HA ARG 75 83.494 4.397 -5.875 571 HB2 ARG 75 HB2 ARG 75 82.239 3.137 -8.304 572 HB3 ARG 75 HB1 ARG 75 82.000 4.754 -7.654 573 HG2 ARG 75 HG2 ARG 75 84.316 3.674 -9.233 574 HG3 ARG 75 HG1 ARG 75 83.366 5.129 -9.506 575 HD2 ARG 75 HD2 ARG 75 84.369 5.996 -7.308 576 HD3 ARG 75 HD1 ARG 75 85.519 4.670 -7.443 577 HE ARG 75 HE ARG 75 85.488 7.074 -9.031 578 HH11 ARG 75 HH11 ARG 75 85.378 4.377 -10.692 579 HH12 ARG 75 HH12 ARG 75 87.054 4.231 -11.104 580 HH21 ARG 75 HH21 ARG 75 88.101 6.608 -8.811 581 HH22 ARG 75 HH22 ARG 75 88.594 5.492 -10.040 582 H VAL 76 HN VAL 76 81.406 4.401 -5.072 583 HA VAL 76 HA VAL 76 80.245 1.741 -4.483 584 HB VAL 76 HB VAL 76 80.052 4.267 -2.821 585 HG11 VAL 76 HG11 VAL 76 78.989 2.807 -1.167 586 HG12 VAL 76 HG12 VAL 76 79.180 1.420 -2.236 587 HG13 VAL 76 HG13 VAL 76 78.090 2.731 -2.681 588 HG21 VAL 76 HG21 VAL 76 82.290 3.433 -2.606 589 HG22 VAL 76 HG22 VAL 76 81.731 1.762 -2.544 590 HG23 VAL 76 HG23 VAL 76 81.413 2.848 -1.193 591 H THR 77 HN THR 77 78.372 1.430 -5.545 592 HA THR 77 HA THR 77 76.709 3.814 -6.187 593 HB THR 77 HB THR 77 77.047 1.335 -7.892 594 HG1 THR 77 HG1 THR 77 78.358 2.552 -9.127 595 HG21 THR 77 HG21 THR 77 74.872 2.296 -8.207 596 HG22 THR 77 HG22 THR 77 75.865 2.844 -9.558 597 HG23 THR 77 HG23 THR 77 75.528 3.933 -8.213 598 H PHE 78 HN PHE 78 74.747 3.764 -5.412 599 HA PHE 78 HA PHE 78 73.473 1.165 -4.761 600 HB2 PHE 78 HB2 PHE 78 74.210 2.302 -2.709 601 HB3 PHE 78 HB1 PHE 78 73.342 3.757 -3.195 602 HD1 PHE 78 HD2 PHE 78 72.758 0.080 -2.710 603 HD2 PHE 78 HD1 PHE 78 71.155 4.056 -2.414 604 HE1 PHE 78 HE2 PHE 78 70.695 -0.826 -1.676 605 HE2 PHE 78 HE1 PHE 78 69.096 3.147 -1.375 606 HZ PHE 78 HZ PHE 78 68.865 0.707 -1.007 607 H LEU 79 HN LEU 79 71.812 0.903 -6.113 608 HA LEU 79 HA LEU 79 70.330 3.286 -7.052 609 HB2 LEU 79 HB2 LEU 79 71.367 2.144 -8.875 610 HB3 LEU 79 HB1 LEU 79 70.794 0.581 -8.304 611 HG LEU 79 HG LEU 79 68.498 1.155 -8.824 612 HD11 LEU 79 HD11 LEU 79 69.651 3.912 -9.273 613 HD12 LEU 79 HD12 LEU 79 68.326 3.439 -8.207 614 HD13 LEU 79 HD13 LEU 79 68.094 3.433 -9.953 615 HD21 LEU 79 HD21 LEU 79 68.710 1.642 -11.274 616 HD22 LEU 79 HD22 LEU 79 69.784 0.360 -10.714 617 HD23 LEU 79 HD23 LEU 79 70.421 1.976 -11.011 618 H ALA 80 HN ALA 80 68.835 3.444 -5.400 619 HA ALA 80 HA ALA 80 66.964 1.172 -5.026 620 HB1 ALA 80 HB1 ALA 80 67.809 3.480 -3.297 621 HB2 ALA 80 HB2 ALA 80 67.705 1.766 -2.895 622 HB3 ALA 80 HB3 ALA 80 66.236 2.727 -3.036 623 H GLY 81 HN GLY 81 65.567 1.454 -6.748 624 HA2 GLY 81 HA2 GLY 81 63.791 2.352 -7.916 625 HA3 GLY 81 HA1 GLY 81 63.495 3.355 -6.495 626 H ASP 82 HN ASP 82 62.912 5.009 -8.166 627 HA ASP 82 HA ASP 82 64.649 6.078 -10.036 628 HB2 ASP 82 HB2 ASP 82 62.500 7.401 -8.368 629 HB3 ASP 82 HB1 ASP 82 63.273 8.151 -9.767 630 H MET 83 HN MET 83 65.900 5.684 -7.214 631 HA MET 83 HA MET 83 67.141 8.374 -7.050 632 HB2 MET 83 HB2 MET 83 66.614 6.554 -4.701 633 HB3 MET 83 HB1 MET 83 67.224 8.205 -4.669 634 HG2 MET 83 HG2 MET 83 65.052 8.857 -4.388 635 HG3 MET 83 HG1 MET 83 64.818 8.455 -6.085 636 HE1 MET 83 HE1 MET 83 64.655 7.566 -2.510 637 HE2 MET 83 HE2 MET 83 65.347 5.987 -2.826 638 HE3 MET 83 HE3 MET 83 63.666 6.127 -2.341 639 H VAL 84 HN VAL 84 69.329 8.434 -6.963 640 HA VAL 84 HA VAL 84 70.812 5.911 -6.504 641 HB VAL 84 HB VAL 84 70.739 6.108 -8.882 642 HG11 VAL 84 HG11 VAL 84 71.566 9.001 -8.499 643 HG12 VAL 84 HG12 VAL 84 69.967 8.447 -8.990 644 HG13 VAL 84 HG13 VAL 84 71.352 8.194 -10.051 645 HG21 VAL 84 HG21 VAL 84 73.049 6.240 -9.415 646 HG22 VAL 84 HG22 VAL 84 73.019 5.770 -7.716 647 HG23 VAL 84 HG23 VAL 84 73.355 7.443 -8.163 648 H THR 85 HN THR 85 72.508 6.110 -5.185 649 HA THR 85 HA THR 85 73.663 8.787 -4.630 650 HB THR 85 HB THR 85 73.591 8.446 -2.317 651 HG1 THR 85 HG1 THR 85 72.992 5.728 -2.491 652 HG21 THR 85 HG21 THR 85 71.264 8.563 -3.182 653 HG22 THR 85 HG22 THR 85 71.372 7.594 -1.714 654 HG23 THR 85 HG23 THR 85 71.225 6.802 -3.281 655 H SER 86 HN SER 86 75.857 8.803 -4.956 656 HA SER 86 HA SER 86 77.402 6.362 -4.482 657 HB2 SER 86 HB2 SER 86 76.714 6.096 -6.807 658 HB3 SER 86 HB1 SER 86 77.308 7.709 -7.189 659 HG SER 86 HG SER 86 78.819 6.046 -7.693 660 H ALA 87 HN ALA 87 79.609 6.671 -4.196 661 HA ALA 87 HA ALA 87 80.749 9.349 -4.471 662 HB1 ALA 87 HB1 ALA 87 80.365 7.976 -1.803 663 HB2 ALA 87 HB2 ALA 87 79.775 9.566 -2.286 664 HB3 ALA 87 HB3 ALA 87 81.504 9.297 -2.060 665 H PHE 88 HN PHE 88 83.074 9.343 -3.982 666 HA PHE 88 HA PHE 88 84.305 6.948 -5.033 667 HB2 PHE 88 HB2 PHE 88 85.542 9.548 -4.105 668 HB3 PHE 88 HB1 PHE 88 86.357 8.280 -5.021 669 HD1 PHE 88 HD2 PHE 88 83.688 10.843 -5.127 670 HD2 PHE 88 HD1 PHE 88 85.957 7.972 -7.376 671 HE1 PHE 88 HE2 PHE 88 82.809 11.800 -7.239 672 HE2 PHE 88 HE1 PHE 88 85.078 8.927 -9.487 673 HZ PHE 88 HZ PHE 88 83.504 10.842 -9.418 674 H LEU 89 HN LEU 89 86.363 6.186 -4.090 675 HA LEU 89 HA LEU 89 86.321 6.049 -1.129 676 HB2 LEU 89 HB2 LEU 89 85.514 3.906 -2.043 677 HB3 LEU 89 HB1 LEU 89 86.940 3.807 -3.072 678 HG LEU 89 HG LEU 89 88.401 3.656 -1.134 679 HD11 LEU 89 HD11 LEU 89 87.456 4.947 0.577 680 HD12 LEU 89 HD12 LEU 89 87.136 3.312 1.148 681 HD13 LEU 89 HD13 LEU 89 85.858 4.239 0.366 682 HD21 LEU 89 HD21 LEU 89 87.432 1.513 -0.132 683 HD22 LEU 89 HD22 LEU 89 87.585 1.542 -1.889 684 HD23 LEU 89 HD23 LEU 89 86.010 1.800 -1.136 685 H THR 90 HN THR 90 88.298 6.358 -0.178 686 HA THR 90 HA THR 90 90.689 6.479 -1.929 687 HB THR 90 HB THR 90 91.371 8.497 -0.515 688 HG1 THR 90 HG1 THR 90 89.745 8.195 1.060 689 HG21 THR 90 HG21 THR 90 90.011 10.053 -1.898 690 HG22 THR 90 HG22 THR 90 88.983 8.700 -2.370 691 HG23 THR 90 HG23 THR 90 90.680 8.726 -2.849 692 H VAL 91 HN VAL 91 92.167 5.103 -1.184 693 HA VAL 91 HA VAL 91 92.562 4.870 1.751 694 HB VAL 91 HB VAL 91 92.506 2.527 -0.160 695 HG11 VAL 91 HG11 VAL 91 92.584 1.266 2.041 696 HG12 VAL 91 HG12 VAL 91 92.956 2.802 2.821 697 HG13 VAL 91 HG13 VAL 91 94.062 2.130 1.624 698 HG21 VAL 91 HG21 VAL 91 90.443 1.880 0.953 699 HG22 VAL 91 HG22 VAL 91 90.250 3.512 0.324 700 HG23 VAL 91 HG23 VAL 91 90.552 3.261 2.043 701 H ARG 92 HN ARG 92 94.673 5.254 2.270 702 HA ARG 92 HA ARG 92 96.717 4.907 0.159 703 HB2 ARG 92 HB2 ARG 92 96.782 6.569 2.685 704 HB3 ARG 92 HB1 ARG 92 98.043 6.516 1.457 705 HG2 ARG 92 HG2 ARG 92 95.186 7.389 0.918 706 HG3 ARG 92 HG1 ARG 92 96.512 8.502 1.254 707 HD2 ARG 92 HD2 ARG 92 97.744 7.484 -0.697 708 HD3 ARG 92 HD1 ARG 92 96.276 6.600 -1.087 709 HE ARG 92 HE ARG 92 96.606 9.527 -1.247 710 HH11 ARG 92 HH21 ARG 92 93.776 8.776 -0.589 711 HH12 ARG 92 HH22 ARG 92 93.059 8.598 -2.155 712 HH21 ARG 92 HH11 ARG 92 96.097 8.370 -3.812 713 HH22 ARG 92 HH12 ARG 92 94.373 8.371 -3.979 714 H GLY 93 HN GLY 93 98.571 3.812 0.445 715 HA2 GLY 93 HA2 GLY 93 99.293 2.664 3.018 716 HA3 GLY 93 HA1 GLY 93 98.775 1.503 1.797 717 H GLY 94 HN GLY 94 101.467 2.510 3.152 718 HA2 GLY 94 HA2 GLY 94 103.077 2.973 0.738 719 HA3 GLY 94 HA1 GLY 94 103.644 3.048 2.405 720 H LEU 95 HN LEU 95 103.283 1.083 -0.381 721 HA LEU 95 HA LEU 95 104.144 -1.347 1.087 722 HB2 LEU 95 HB2 LEU 95 102.882 -0.989 -1.641 723 HB3 LEU 95 HB1 LEU 95 103.429 -2.534 -0.994 724 HG LEU 95 HG LEU 95 101.412 -0.742 0.395 725 HD11 LEU 95 HD11 LEU 95 100.612 -1.587 -1.824 726 HD12 LEU 95 HD12 LEU 95 99.682 -2.211 -0.461 727 HD13 LEU 95 HD13 LEU 95 100.884 -3.233 -1.249 728 HD21 LEU 95 HD21 LEU 95 102.592 -3.459 0.950 729 HD22 LEU 95 HD22 LEU 95 100.919 -3.160 1.412 730 HD23 LEU 95 HD23 LEU 95 102.204 -2.155 2.071 731 H GLU 96 HN GLU 96 105.174 1.077 -1.127 732 HA GLU 96 HA GLU 96 107.337 -0.528 -2.253 733 HB2 GLU 96 HB2 GLU 96 106.518 2.360 -2.590 734 HB3 GLU 96 HB1 GLU 96 107.936 1.657 -3.369 735 HG2 GLU 96 HG2 GLU 96 106.559 0.024 -4.520 736 HG3 GLU 96 HG1 GLU 96 105.122 0.566 -3.655 737 H HIS 97 HN HIS 97 109.196 -0.815 -1.237 738 HA HIS 97 HA HIS 97 109.913 0.753 1.084 739 HB2 HIS 97 HB2 HIS 97 111.268 -1.526 -0.365 740 HB3 HIS 97 HB1 HIS 97 111.942 -0.752 1.068 741 HD1 HIS 97 HD1 HIS 97 109.224 -3.055 -0.049 742 HD2 HIS 97 HD2 HIS 97 110.459 -1.219 3.484 743 HE1 HIS 97 HE1 HIS 97 107.964 -4.195 1.829 744 H HIS 98 HN HIS 98 111.789 -0.095 -1.828 745 HA HIS 98 HA HIS 98 112.577 2.659 -2.268 746 HB2 HIS 98 HB2 HIS 98 114.089 1.851 -0.411 747 HB3 HIS 98 HB1 HIS 98 114.722 0.656 -1.543 748 HD1 HIS 98 HD1 HIS 98 116.046 1.561 -3.628 749 HD2 HIS 98 HD2 HIS 98 114.975 4.493 -0.864 750 HE1 HIS 98 HE1 HIS 98 117.388 3.626 -4.218 751 H HIS 99 HN HIS 99 111.841 2.420 -4.364 752 HA HIS 99 HA HIS 99 113.198 0.389 -6.052 753 HB2 HIS 99 HB2 HIS 99 110.744 0.168 -5.928 754 HB3 HIS 99 HB1 HIS 99 110.572 1.821 -6.518 755 HD1 HIS 99 HD1 HIS 99 110.816 2.210 -9.010 756 HD2 HIS 99 HD2 HIS 99 111.890 -1.659 -7.891 757 HE1 HIS 99 HE1 HIS 99 111.146 0.910 -11.158 758 H HIS 100 HN HIS 100 112.375 3.801 -5.708 759 HA HIS 100 HA HIS 100 113.587 4.496 -8.267 760 HB2 HIS 100 HB2 HIS 100 113.037 6.811 -7.644 761 HB3 HIS 100 HB1 HIS 100 111.634 5.758 -7.498 762 HD1 HIS 100 HD1 HIS 100 114.482 6.247 -5.010 763 HD2 HIS 100 HD2 HIS 100 110.357 6.791 -5.269 764 HE1 HIS 100 HE1 HIS 100 113.709 6.976 -2.710 765 H HIS 101 HN HIS 101 115.218 6.340 -8.253 766 HA HIS 101 HA HIS 101 117.172 6.073 -6.043 767 HB2 HIS 101 HB2 HIS 101 117.812 5.983 -9.003 768 HB3 HIS 101 HB1 HIS 101 118.984 5.940 -7.686 769 HD1 HIS 101 HD1 HIS 101 118.868 3.805 -6.082 770 HD2 HIS 101 HD2 HIS 101 116.619 3.521 -9.580 771 HE1 HIS 101 HE1 HIS 101 118.269 1.359 -6.351 772 H HIS 102 HN HIS 102 118.570 7.874 -5.787 773 HA HIS 102 HA HIS 102 118.368 10.189 -7.463 774 HB2 HIS 102 HB2 HIS 102 116.193 10.278 -6.215 775 HB3 HIS 102 HB1 HIS 102 117.117 10.410 -4.719 776 HD1 HIS 102 HD1 HIS 102 118.255 12.646 -4.210 777 HD2 HIS 102 HD2 HIS 102 116.429 12.568 -7.957 778 HE1 HIS 102 HE1 HIS 102 118.290 15.027 -5.074 Start of MODEL 19 1 H1 THR 1 HT1 THR 1 57.393 -1.154 -2.625 2 H2 THR 1 HT2 THR 1 56.709 0.177 -1.820 3 H3 THR 1 HT3 THR 1 58.357 0.186 -2.235 4 HA THR 1 HA THR 1 57.903 1.111 -4.176 5 HB THR 1 HB THR 1 56.535 -0.147 -5.819 6 HG1 THR 1 HG1 THR 1 55.765 -1.438 -3.460 7 HG21 THR 1 HG21 THR 1 58.324 -1.908 -4.121 8 HG22 THR 1 HG22 THR 1 58.870 -0.828 -5.404 9 HG23 THR 1 HG23 THR 1 57.861 -2.222 -5.793 10 H ALA 2 HN ALA 2 56.925 2.799 -2.795 11 HA ALA 2 HA ALA 2 54.239 3.417 -3.716 12 HB1 ALA 2 HB1 ALA 2 54.756 3.398 -0.740 13 HB2 ALA 2 HB2 ALA 2 54.024 2.028 -1.574 14 HB3 ALA 2 HB3 ALA 2 53.217 3.596 -1.579 15 H LYS 3 HN LYS 3 56.977 4.237 -1.659 16 HA LYS 3 HA LYS 3 57.121 6.893 -2.799 17 HB2 LYS 3 HB2 LYS 3 55.413 7.010 -0.877 18 HB3 LYS 3 HB1 LYS 3 56.780 6.707 0.201 19 HG2 LYS 3 HG2 LYS 3 57.946 8.672 -0.689 20 HG3 LYS 3 HG1 LYS 3 56.630 8.963 -1.826 21 HD2 LYS 3 HD2 LYS 3 55.071 9.282 0.064 22 HD3 LYS 3 HD1 LYS 3 56.401 9.019 1.196 23 HE2 LYS 3 HE2 LYS 3 57.600 10.953 0.240 24 HE3 LYS 3 HE1 LYS 3 56.265 11.225 -0.880 25 HZ1 LYS 3 HZ1 LYS 3 54.875 11.906 0.799 26 HZ2 LYS 3 HZ2 LYS 3 56.365 12.523 1.334 27 HZ3 LYS 3 HZ3 LYS 3 55.742 11.095 2.010 28 H ASN 4 HN ASN 4 59.268 7.268 -3.075 29 HA ASN 4 HA ASN 4 61.142 6.301 -1.019 30 HB2 ASN 4 HB2 ASN 4 61.824 6.319 -3.948 31 HB3 ASN 4 HB1 ASN 4 62.661 5.513 -2.620 32 HD21 ASN 4 HD21 ASN 4 60.701 4.843 -5.218 33 HD22 ASN 4 HD22 ASN 4 59.955 3.431 -4.642 34 H THR 5 HN THR 5 62.198 8.065 -0.170 35 HA THR 5 HA THR 5 62.889 10.245 -2.046 36 HB THR 5 HB THR 5 61.380 10.568 0.560 37 HG1 THR 5 HG1 THR 5 60.103 10.343 -1.258 38 HG21 THR 5 HG21 THR 5 61.693 13.080 -0.069 39 HG22 THR 5 HG22 THR 5 63.091 12.515 -0.983 40 HG23 THR 5 HG23 THR 5 63.009 12.251 0.759 41 H VAL 6 HN VAL 6 64.988 10.071 -2.009 42 HA VAL 6 HA VAL 6 66.484 9.119 0.198 43 HB VAL 6 HB VAL 6 67.201 9.020 -2.226 44 HG11 VAL 6 HG11 VAL 6 66.635 11.529 -2.540 45 HG12 VAL 6 HG12 VAL 6 68.106 10.925 -3.299 46 HG13 VAL 6 HG13 VAL 6 68.203 11.837 -1.793 47 HG21 VAL 6 HG21 VAL 6 69.586 9.336 -1.691 48 HG22 VAL 6 HG22 VAL 6 68.750 8.571 -0.339 49 HG23 VAL 6 HG23 VAL 6 69.149 10.285 -0.271 50 H VAL 7 HN VAL 7 67.223 10.096 1.915 51 HA VAL 7 HA VAL 7 66.916 13.003 2.195 52 HB VAL 7 HB VAL 7 67.754 10.963 4.268 53 HG11 VAL 7 HG11 VAL 7 68.340 13.297 4.774 54 HG12 VAL 7 HG12 VAL 7 67.044 12.745 5.834 55 HG13 VAL 7 HG13 VAL 7 66.676 13.793 4.462 56 HG21 VAL 7 HG21 VAL 7 65.000 12.091 3.655 57 HG22 VAL 7 HG22 VAL 7 65.398 11.039 5.013 58 HG23 VAL 7 HG23 VAL 7 65.514 10.428 3.362 59 H ARG 8 HN ARG 8 69.288 10.423 2.188 60 HA ARG 8 HA ARG 8 71.421 12.367 1.711 61 HB2 ARG 8 HB2 ARG 8 71.732 12.220 4.022 62 HB3 ARG 8 HB1 ARG 8 71.265 10.524 4.077 63 HG2 ARG 8 HG2 ARG 8 73.340 9.818 3.103 64 HG3 ARG 8 HG1 ARG 8 73.778 11.468 2.656 65 HD2 ARG 8 HD2 ARG 8 74.994 10.788 4.677 66 HD3 ARG 8 HD1 ARG 8 73.838 12.056 5.080 67 HE ARG 8 HE ARG 8 72.738 9.424 5.425 68 HH11 ARG 8 HH11 ARG 8 72.088 11.674 7.245 69 HH12 ARG 8 HH12 ARG 8 72.964 11.279 8.687 70 HH21 ARG 8 HH21 ARG 8 75.027 8.977 7.113 71 HH22 ARG 8 HH22 ARG 8 74.627 9.748 8.612 72 H GLY 9 HN GLY 9 72.785 11.712 0.235 73 HA2 GLY 9 HA2 GLY 9 72.620 8.982 -0.787 74 HA3 GLY 9 HA1 GLY 9 73.382 10.367 -1.576 75 H LEU 10 HN LEU 10 75.145 8.646 -1.795 76 HA LEU 10 HA LEU 10 76.655 8.018 0.578 77 HB2 LEU 10 HB2 LEU 10 77.271 7.711 -2.371 78 HB3 LEU 10 HB1 LEU 10 78.297 7.099 -1.073 79 HG LEU 10 HG LEU 10 75.364 6.369 -1.161 80 HD11 LEU 10 HD11 LEU 10 76.158 5.736 -3.358 81 HD12 LEU 10 HD12 LEU 10 76.073 4.275 -2.378 82 HD13 LEU 10 HD13 LEU 10 77.632 5.043 -2.684 83 HD21 LEU 10 HD21 LEU 10 76.285 4.292 -0.061 84 HD22 LEU 10 HD22 LEU 10 76.555 5.760 0.871 85 HD23 LEU 10 HD23 LEU 10 77.874 5.053 -0.061 86 H GLU 11 HN GLU 11 78.898 8.740 0.916 87 HA GLU 11 HA GLU 11 79.524 11.341 -0.329 88 HB2 GLU 11 HB2 GLU 11 80.210 12.165 1.943 89 HB3 GLU 11 HB1 GLU 11 78.471 11.953 1.746 90 HG2 GLU 11 HG2 GLU 11 80.273 9.843 2.960 91 HG3 GLU 11 HG1 GLU 11 79.419 11.050 3.918 92 H ASN 12 HN ASN 12 81.790 11.984 0.104 93 HA ASN 12 HA ASN 12 83.555 9.917 -0.604 94 HB2 ASN 12 HB2 ASN 12 85.356 11.544 -0.162 95 HB3 ASN 12 HB1 ASN 12 84.048 12.248 -1.108 96 HD21 ASN 12 HD21 ASN 12 84.211 14.430 -0.398 97 HD22 ASN 12 HD22 ASN 12 84.011 14.898 1.220 98 H VAL 13 HN VAL 13 85.075 8.758 0.527 99 HA VAL 13 HA VAL 13 85.002 8.893 3.486 100 HB VAL 13 HB VAL 13 84.670 6.425 1.770 101 HG11 VAL 13 HG11 VAL 13 85.383 6.720 4.695 102 HG12 VAL 13 HG12 VAL 13 86.221 5.774 3.465 103 HG13 VAL 13 HG13 VAL 13 84.638 5.257 4.049 104 HG21 VAL 13 HG21 VAL 13 83.015 7.710 3.961 105 HG22 VAL 13 HG22 VAL 13 82.652 6.149 3.227 106 HG23 VAL 13 HG23 VAL 13 82.598 7.618 2.251 107 H GLU 14 HN GLU 14 86.975 8.808 4.404 108 HA GLU 14 HA GLU 14 89.266 7.837 2.794 109 HB2 GLU 14 HB2 GLU 14 89.194 10.303 2.683 110 HB3 GLU 14 HB1 GLU 14 89.212 10.377 4.444 111 HG2 GLU 14 HG2 GLU 14 91.394 9.285 4.509 112 HG3 GLU 14 HG1 GLU 14 91.370 9.071 2.760 113 H ALA 15 HN ALA 15 90.368 6.331 3.842 114 HA ALA 15 HA ALA 15 90.730 6.519 6.749 115 HB1 ALA 15 HB1 ALA 15 90.076 4.175 7.085 116 HB2 ALA 15 HB2 ALA 15 89.622 4.050 5.386 117 HB3 ALA 15 HB3 ALA 15 88.724 5.120 6.462 118 H LEU 16 HN LEU 16 92.594 5.571 7.490 119 HA LEU 16 HA LEU 16 94.732 5.279 5.650 120 HB2 LEU 16 HB2 LEU 16 94.406 4.803 8.605 121 HB3 LEU 16 HB1 LEU 16 95.909 4.379 7.790 122 HG LEU 16 HG LEU 16 96.136 6.698 6.984 123 HD11 LEU 16 HD11 LEU 16 93.513 7.052 8.454 124 HD12 LEU 16 HD12 LEU 16 93.871 7.430 6.769 125 HD13 LEU 16 HD13 LEU 16 94.568 8.409 8.059 126 HD21 LEU 16 HD21 LEU 16 96.544 7.753 9.191 127 HD22 LEU 16 HD22 LEU 16 97.120 6.087 9.156 128 HD23 LEU 16 HD23 LEU 16 95.603 6.477 9.965 129 H GLU 17 HN GLU 17 96.061 3.418 5.285 130 HA GLU 17 HA GLU 17 94.751 1.152 4.382 131 HB2 GLU 17 HB2 GLU 17 97.006 1.640 3.677 132 HB3 GLU 17 HB1 GLU 17 97.609 1.449 5.323 133 HG2 GLU 17 HG2 GLU 17 98.077 -0.547 3.940 134 HG3 GLU 17 HG1 GLU 17 97.016 -0.943 5.283 135 H GLY 18 HN GLY 18 94.354 -0.874 5.130 136 HA2 GLY 18 HA2 GLY 18 93.944 -2.583 6.594 137 HA3 GLY 18 HA1 GLY 18 95.157 -1.876 7.665 138 H GLY 19 HN GLY 19 92.480 0.022 6.554 139 HA2 GLY 19 HA2 GLY 19 91.323 -0.002 9.286 140 HA3 GLY 19 HA1 GLY 19 91.258 1.362 8.172 141 H GLU 20 HN GLU 20 88.931 1.177 8.748 142 HA GLU 20 HA GLU 20 87.542 -0.702 6.916 143 HB2 GLU 20 HB2 GLU 20 85.610 -0.480 8.578 144 HB3 GLU 20 HB1 GLU 20 86.977 -1.468 9.093 145 HG2 GLU 20 HG2 GLU 20 87.019 1.463 9.771 146 HG3 GLU 20 HG1 GLU 20 85.945 0.416 10.691 147 H ALA 21 HN ALA 21 85.219 0.196 6.505 148 HA ALA 21 HA ALA 21 85.192 3.146 6.377 149 HB1 ALA 21 HB1 ALA 21 84.374 2.939 3.955 150 HB2 ALA 21 HB2 ALA 21 85.053 1.319 3.996 151 HB3 ALA 21 HB3 ALA 21 86.098 2.708 4.238 152 H LEU 22 HN LEU 22 83.184 4.048 6.459 153 HA LEU 22 HA LEU 22 80.873 2.194 6.545 154 HB2 LEU 22 HB2 LEU 22 81.230 4.588 8.347 155 HB3 LEU 22 HB1 LEU 22 80.014 3.323 8.461 156 HG LEU 22 HG LEU 22 82.973 2.758 8.751 157 HD11 LEU 22 HD11 LEU 22 82.416 2.655 11.219 158 HD12 LEU 22 HD12 LEU 22 80.886 3.444 10.837 159 HD13 LEU 22 HD13 LEU 22 82.409 4.280 10.535 160 HD21 LEU 22 HD21 LEU 22 81.569 0.821 8.220 161 HD22 LEU 22 HD22 LEU 22 80.450 1.257 9.511 162 HD23 LEU 22 HD23 LEU 22 82.087 0.734 9.901 163 H PHE 23 HN PHE 23 79.404 2.692 5.047 164 HA PHE 23 HA PHE 23 79.108 5.534 4.228 165 HB2 PHE 23 HB2 PHE 23 78.567 2.932 2.787 166 HB3 PHE 23 HB1 PHE 23 78.005 4.492 2.198 167 HD1 PHE 23 HD1 PHE 23 80.957 2.387 2.854 168 HD2 PHE 23 HD2 PHE 23 79.549 6.142 1.321 169 HE1 PHE 23 HE1 PHE 23 83.163 2.781 1.791 170 HE2 PHE 23 HE2 PHE 23 81.753 6.536 0.263 171 HZ PHE 23 HZ PHE 23 83.551 4.855 0.490 172 H GLU 24 HN GLU 24 77.465 6.314 5.530 173 HA GLU 24 HA GLU 24 75.059 4.643 5.927 174 HB2 GLU 24 HB2 GLU 24 76.021 7.168 7.283 175 HB3 GLU 24 HB1 GLU 24 74.472 6.399 7.620 176 HG2 GLU 24 HG2 GLU 24 75.846 5.484 9.276 177 HG3 GLU 24 HG1 GLU 24 75.903 4.245 8.027 178 H CYS 25 HN CYS 25 73.377 4.925 4.674 179 HA CYS 25 HA CYS 25 72.749 7.625 3.615 180 HB2 CYS 25 HB2 CYS 25 72.708 4.927 2.295 181 HB3 CYS 25 HB1 CYS 25 71.576 6.172 1.762 182 HG CYS 25 HG CYS 25 74.506 7.102 1.900 183 H GLN 26 HN GLN 26 70.603 8.260 3.737 184 HA GLN 26 HA GLN 26 68.735 6.419 5.141 185 HB2 GLN 26 HB2 GLN 26 69.220 9.371 5.570 186 HB3 GLN 26 HB1 GLN 26 67.805 8.522 6.195 187 HG2 GLN 26 HG2 GLN 26 69.217 7.005 7.464 188 HG3 GLN 26 HG1 GLN 26 70.669 7.711 6.760 189 HE21 GLN 26 HE21 GLN 26 71.651 8.870 8.427 190 HE22 GLN 26 HE22 GLN 26 70.848 9.964 9.445 191 H LEU 27 HN LEU 27 67.030 5.966 3.968 192 HA LEU 27 HA LEU 27 65.928 8.010 2.138 193 HB2 LEU 27 HB2 LEU 27 65.245 5.888 0.727 194 HB3 LEU 27 HB1 LEU 27 66.841 6.599 0.536 195 HG LEU 27 HG LEU 27 66.858 4.108 0.722 196 HD11 LEU 27 HD11 LEU 27 68.675 5.864 1.779 197 HD12 LEU 27 HD12 LEU 27 68.900 4.120 1.710 198 HD13 LEU 27 HD13 LEU 27 68.316 4.868 3.190 199 HD21 LEU 27 HD21 LEU 27 64.935 4.201 2.478 200 HD22 LEU 27 HD22 LEU 27 66.237 4.397 3.649 201 HD23 LEU 27 HD23 LEU 27 66.173 2.960 2.633 202 H SER 28 HN SER 28 63.650 7.865 1.777 203 HA SER 28 HA SER 28 62.241 6.732 4.085 204 HB2 SER 28 HB2 SER 28 62.009 9.180 3.458 205 HB3 SER 28 HB1 SER 28 61.118 8.638 2.038 206 HG SER 28 HG SER 28 59.494 8.033 3.276 207 H GLN 29 HN GLN 29 61.691 4.661 3.650 208 HA GLN 29 HA GLN 29 59.556 4.015 1.991 209 HB2 GLN 29 HB2 GLN 29 60.930 2.485 0.398 210 HB3 GLN 29 HB1 GLN 29 60.832 4.206 0.032 211 HG2 GLN 29 HG2 GLN 29 63.023 4.619 0.866 212 HG3 GLN 29 HG1 GLN 29 63.093 3.061 1.675 213 HE21 GLN 29 HE21 GLN 29 62.115 1.427 -0.508 214 HE22 GLN 29 HE22 GLN 29 63.287 1.464 -1.734 215 HA PRO 30 HA PRO 30 60.665 0.902 5.190 216 HB2 PRO 30 HB2 PRO 30 57.879 0.139 5.418 217 HB3 PRO 30 HB1 PRO 30 58.875 1.010 6.595 218 HG2 PRO 30 HG2 PRO 30 56.757 2.072 5.067 219 HG3 PRO 30 HG1 PRO 30 57.909 2.977 6.058 220 HD2 PRO 30 HD2 PRO 30 57.784 2.739 3.118 221 HD3 PRO 30 HD1 PRO 30 58.653 3.926 4.114 222 H GLU 31 HN GLU 31 59.256 0.729 2.132 223 HA GLU 31 HA GLU 31 59.299 -2.231 2.057 224 HB2 GLU 31 HB2 GLU 31 57.218 -1.094 1.299 225 HB3 GLU 31 HB1 GLU 31 58.152 -0.258 0.059 226 HG2 GLU 31 HG2 GLU 31 58.720 -2.344 -1.017 227 HG3 GLU 31 HG1 GLU 31 58.021 -3.276 0.306 228 H VAL 32 HN VAL 32 60.241 -3.179 0.066 229 HA VAL 32 HA VAL 32 61.737 -2.137 -1.887 230 HB VAL 32 HB VAL 32 63.135 -0.807 -0.411 231 HG11 VAL 32 HG11 VAL 32 64.205 -1.602 1.521 232 HG12 VAL 32 HG12 VAL 32 64.118 -3.285 1.006 233 HG13 VAL 32 HG13 VAL 32 62.672 -2.465 1.586 234 HG21 VAL 32 HG21 VAL 32 65.265 -1.528 -1.122 235 HG22 VAL 32 HG22 VAL 32 64.152 -2.146 -2.344 236 HG23 VAL 32 HG23 VAL 32 64.785 -3.223 -1.101 237 H ALA 33 HN ALA 33 61.625 -3.992 -3.038 238 HA ALA 33 HA ALA 33 62.358 -6.539 -1.747 239 HB1 ALA 33 HB1 ALA 33 60.228 -6.587 -2.846 240 HB2 ALA 33 HB2 ALA 33 61.351 -7.510 -3.844 241 HB3 ALA 33 HB3 ALA 33 60.903 -5.870 -4.309 242 H ALA 34 HN ALA 34 63.099 -4.591 -4.637 243 HA ALA 34 HA ALA 34 65.629 -6.134 -4.933 244 HB1 ALA 34 HB1 ALA 34 65.409 -5.659 -7.392 245 HB2 ALA 34 HB2 ALA 34 63.777 -5.071 -7.074 246 HB3 ALA 34 HB3 ALA 34 64.185 -6.756 -6.750 247 H HIS 35 HN HIS 35 67.448 -5.049 -5.321 248 HA HIS 35 HA HIS 35 67.481 -2.214 -5.956 249 HB2 HIS 35 HB2 HIS 35 69.155 -2.136 -3.773 250 HB3 HIS 35 HB1 HIS 35 67.466 -1.631 -3.733 251 HD1 HIS 35 HD1 HIS 35 65.711 -3.583 -3.053 252 HD2 HIS 35 HD2 HIS 35 69.705 -4.303 -2.104 253 HE1 HIS 35 HE1 HIS 35 65.708 -5.450 -1.345 254 H THR 36 HN THR 36 69.718 -1.466 -6.384 255 HA THR 36 HA THR 36 71.489 -3.731 -7.157 256 HB THR 36 HB THR 36 71.322 -0.993 -8.423 257 HG1 THR 36 HG1 THR 36 69.470 -2.289 -8.796 258 HG21 THR 36 HG21 THR 36 72.665 -2.167 -10.201 259 HG22 THR 36 HG22 THR 36 72.814 -3.537 -9.099 260 HG23 THR 36 HG23 THR 36 73.515 -1.978 -8.665 261 H TRP 37 HN TRP 37 72.671 -3.781 -5.237 262 HA TRP 37 HA TRP 37 74.191 -1.364 -4.471 263 HB2 TRP 37 HB2 TRP 37 73.303 -3.881 -3.130 264 HB3 TRP 37 HB1 TRP 37 74.876 -3.284 -2.645 265 HD1 TRP 37 HD1 TRP 37 71.173 -2.441 -2.504 266 HE1 TRP 37 HE1 TRP 37 70.826 -0.557 -0.778 267 HE3 TRP 37 HE3 TRP 37 76.036 -1.222 -1.535 268 HZ2 TRP 37 HZ2 TRP 37 72.398 1.230 0.802 269 HZ3 TRP 37 HZ3 TRP 37 76.583 0.573 0.086 270 HH2 TRP 37 HH2 TRP 37 74.772 1.799 1.255 271 H LEU 38 HN LEU 38 75.725 -1.385 -6.243 272 HA LEU 38 HA LEU 38 77.662 -3.640 -6.111 273 HB2 LEU 38 HB2 LEU 38 76.772 -2.153 -8.588 274 HB3 LEU 38 HB1 LEU 38 78.000 -3.413 -8.528 275 HG LEU 38 HG LEU 38 75.100 -3.788 -7.711 276 HD11 LEU 38 HD11 LEU 38 76.557 -4.748 -10.196 277 HD12 LEU 38 HD12 LEU 38 75.457 -3.370 -10.160 278 HD13 LEU 38 HD13 LEU 38 74.852 -4.989 -9.818 279 HD21 LEU 38 HD21 LEU 38 75.913 -6.271 -8.050 280 HD22 LEU 38 HD22 LEU 38 76.318 -5.450 -6.553 281 HD23 LEU 38 HD23 LEU 38 77.524 -5.595 -7.827 282 H LEU 39 HN LEU 39 79.524 -3.004 -5.424 283 HA LEU 39 HA LEU 39 80.478 -0.245 -5.875 284 HB2 LEU 39 HB2 LEU 39 82.379 -1.452 -4.270 285 HB3 LEU 39 HB1 LEU 39 80.998 -0.576 -3.645 286 HG LEU 39 HG LEU 39 79.713 -2.750 -3.651 287 HD11 LEU 39 HD11 LEU 39 82.489 -3.895 -4.102 288 HD12 LEU 39 HD12 LEU 39 81.165 -3.946 -5.266 289 HD13 LEU 39 HD13 LEU 39 81.039 -4.830 -3.750 290 HD21 LEU 39 HD21 LEU 39 81.152 -3.684 -1.661 291 HD22 LEU 39 HD22 LEU 39 80.409 -2.093 -1.526 292 HD23 LEU 39 HD23 LEU 39 82.122 -2.232 -1.921 293 H ASP 40 HN ASP 40 82.887 -2.654 -5.383 294 HA ASP 40 HA ASP 40 83.958 -2.326 -7.983 295 HB2 ASP 40 HB2 ASP 40 84.395 -4.485 -5.878 296 HB3 ASP 40 HB1 ASP 40 85.274 -4.431 -7.404 297 H ASP 41 HN ASP 41 84.010 -4.258 -9.512 298 HA ASP 41 HA ASP 41 81.376 -4.904 -10.232 299 HB2 ASP 41 HB2 ASP 41 82.411 -6.326 -11.958 300 HB3 ASP 41 HB1 ASP 41 83.185 -4.743 -11.867 301 H GLU 42 HN GLU 42 81.968 -5.861 -7.499 302 HA GLU 42 HA GLU 42 81.296 -8.720 -7.916 303 HB2 GLU 42 HB2 GLU 42 83.176 -7.514 -5.880 304 HB3 GLU 42 HB1 GLU 42 82.453 -9.111 -5.659 305 HG2 GLU 42 HG2 GLU 42 83.471 -9.931 -7.680 306 HG3 GLU 42 HG1 GLU 42 83.996 -8.314 -8.144 307 HA PRO 43 HA PRO 43 77.677 -7.466 -5.622 308 HB2 PRO 43 HB2 PRO 43 77.358 -10.031 -4.289 309 HB3 PRO 43 HB1 PRO 43 76.399 -9.360 -5.615 310 HG2 PRO 43 HG2 PRO 43 78.330 -11.462 -5.735 311 HG3 PRO 43 HG1 PRO 43 77.393 -10.769 -7.063 312 HD2 PRO 43 HD2 PRO 43 80.215 -10.457 -6.560 313 HD3 PRO 43 HD1 PRO 43 79.258 -9.747 -7.875 314 H VAL 44 HN VAL 44 77.466 -6.457 -3.642 315 HA VAL 44 HA VAL 44 79.679 -6.838 -1.782 316 HB VAL 44 HB VAL 44 79.152 -4.597 -2.435 317 HG11 VAL 44 HG11 VAL 44 76.622 -5.171 -2.722 318 HG12 VAL 44 HG12 VAL 44 77.092 -3.548 -2.220 319 HG13 VAL 44 HG13 VAL 44 76.503 -4.698 -1.026 320 HG21 VAL 44 HG21 VAL 44 79.927 -5.141 -0.082 321 HG22 VAL 44 HG22 VAL 44 78.253 -4.940 0.420 322 HG23 VAL 44 HG23 VAL 44 79.124 -3.582 -0.269 323 H ARG 45 HN ARG 45 79.154 -8.819 -0.994 324 HA ARG 45 HA ARG 45 77.497 -8.716 1.386 325 HB2 ARG 45 HB2 ARG 45 75.965 -9.719 -0.309 326 HB3 ARG 45 HB1 ARG 45 77.164 -10.980 -0.608 327 HG2 ARG 45 HG2 ARG 45 77.032 -11.747 1.680 328 HG3 ARG 45 HG1 ARG 45 76.014 -10.379 2.128 329 HD2 ARG 45 HD2 ARG 45 74.624 -12.346 1.841 330 HD3 ARG 45 HD1 ARG 45 74.278 -11.193 0.557 331 HE ARG 45 HE ARG 45 76.279 -13.001 -0.316 332 HH11 ARG 45 HH11 ARG 45 73.019 -13.123 0.785 333 HH12 ARG 45 HH12 ARG 45 72.501 -14.261 -0.415 334 HH21 ARG 45 HH21 ARG 45 75.565 -14.351 -2.032 335 HH22 ARG 45 HH22 ARG 45 73.942 -14.951 -2.013 336 H THR 46 HN THR 46 78.849 -11.487 -0.309 337 HA THR 46 HA THR 46 80.611 -12.873 0.172 338 HB THR 46 HB THR 46 82.669 -11.805 0.329 339 HG1 THR 46 HG1 THR 46 81.648 -9.590 1.708 340 HG21 THR 46 HG21 THR 46 81.137 -9.287 -0.220 341 HG22 THR 46 HG22 THR 46 80.960 -10.648 -1.327 342 HG23 THR 46 HG23 THR 46 82.548 -9.936 -1.050 343 H SER 47 HN SER 47 82.319 -11.777 2.711 344 HA SER 47 HA SER 47 80.602 -13.059 4.767 345 HB2 SER 47 HB2 SER 47 82.251 -14.688 3.855 346 HB3 SER 47 HB1 SER 47 83.550 -13.611 4.359 347 HG SER 47 HG SER 47 81.736 -15.106 5.901 348 H GLU 48 HN GLU 48 83.016 -12.945 6.597 349 HA GLU 48 HA GLU 48 82.380 -10.557 7.895 350 HB2 GLU 48 HB2 GLU 48 83.537 -12.475 8.966 351 HB3 GLU 48 HB1 GLU 48 85.002 -12.055 8.081 352 HG2 GLU 48 HG2 GLU 48 85.001 -9.819 9.148 353 HG3 GLU 48 HG1 GLU 48 83.545 -10.255 10.039 354 H ASN 49 HN ASN 49 85.035 -11.223 5.625 355 HA ASN 49 HA ASN 49 86.341 -8.733 5.899 356 HB2 ASN 49 HB2 ASN 49 86.251 -10.623 3.542 357 HB3 ASN 49 HB1 ASN 49 87.346 -9.248 3.683 358 HD21 ASN 49 HD21 ASN 49 88.358 -11.914 3.501 359 HD22 ASN 49 HD22 ASN 49 89.072 -12.320 4.985 360 H ALA 50 HN ALA 50 83.262 -9.091 5.020 361 HA ALA 50 HA ALA 50 82.797 -6.528 4.106 362 HB1 ALA 50 HB1 ALA 50 83.548 -8.448 1.924 363 HB2 ALA 50 HB2 ALA 50 83.909 -6.728 2.066 364 HB3 ALA 50 HB3 ALA 50 82.293 -7.251 1.597 365 H GLU 51 HN GLU 51 80.617 -6.229 4.301 366 HA GLU 51 HA GLU 51 78.628 -8.005 3.396 367 HB2 GLU 51 HB2 GLU 51 79.438 -9.497 5.192 368 HB3 GLU 51 HB1 GLU 51 79.196 -8.213 6.370 369 HG2 GLU 51 HG2 GLU 51 76.794 -8.206 5.921 370 HG3 GLU 51 HG1 GLU 51 77.004 -9.401 4.644 371 H VAL 52 HN VAL 52 76.544 -6.989 3.511 372 HA VAL 52 HA VAL 52 76.606 -4.303 4.632 373 HB VAL 52 HB VAL 52 74.371 -5.606 3.066 374 HG11 VAL 52 HG11 VAL 52 74.016 -3.427 4.257 375 HG12 VAL 52 HG12 VAL 52 73.810 -3.320 2.509 376 HG13 VAL 52 HG13 VAL 52 75.292 -2.727 3.259 377 HG21 VAL 52 HG21 VAL 52 76.512 -3.948 1.736 378 HG22 VAL 52 HG22 VAL 52 75.362 -5.066 1.013 379 HG23 VAL 52 HG23 VAL 52 76.732 -5.685 1.922 380 H VAL 53 HN VAL 53 75.158 -3.576 6.120 381 HA VAL 53 HA VAL 53 73.217 -5.433 7.312 382 HB VAL 53 HB VAL 53 73.939 -4.731 9.593 383 HG11 VAL 53 HG11 VAL 53 74.696 -6.869 8.569 384 HG12 VAL 53 HG12 VAL 53 75.893 -6.206 9.682 385 HG13 VAL 53 HG13 VAL 53 76.120 -6.042 7.940 386 HG21 VAL 53 HG21 VAL 53 76.216 -3.484 8.022 387 HG22 VAL 53 HG22 VAL 53 76.272 -3.772 9.762 388 HG23 VAL 53 HG23 VAL 53 75.083 -2.658 9.091 389 H PHE 54 HN PHE 54 71.369 -4.376 8.050 390 HA PHE 54 HA PHE 54 71.378 -1.451 8.178 391 HB2 PHE 54 HB2 PHE 54 69.600 -1.148 6.573 392 HB3 PHE 54 HB1 PHE 54 70.931 -1.997 5.789 393 HD1 PHE 54 HD2 PHE 54 67.546 -2.403 7.262 394 HD2 PHE 54 HD1 PHE 54 70.699 -4.241 4.994 395 HE1 PHE 54 HE2 PHE 54 66.009 -4.241 6.615 396 HE2 PHE 54 HE1 PHE 54 69.162 -6.076 4.344 397 HZ PHE 54 HZ PHE 54 66.814 -6.072 5.149 398 H PHE 55 HN PHE 55 69.739 -0.578 9.359 399 HA PHE 55 HA PHE 55 67.962 -2.489 10.772 400 HB2 PHE 55 HB2 PHE 55 69.050 0.107 11.881 401 HB3 PHE 55 HB1 PHE 55 68.229 -1.185 12.756 402 HD1 PHE 55 HD1 PHE 55 69.346 -3.536 12.713 403 HD2 PHE 55 HD2 PHE 55 71.405 0.102 11.723 404 HE1 PHE 55 HE1 PHE 55 71.521 -4.658 13.104 405 HE2 PHE 55 HE2 PHE 55 73.581 -1.021 12.117 406 HZ PHE 55 HZ PHE 55 73.639 -3.403 12.805 407 H GLU 56 HN GLU 56 66.153 -1.144 11.889 408 HA GLU 56 HA GLU 56 64.209 0.024 11.644 409 HB2 GLU 56 HB2 GLU 56 66.029 1.853 10.067 410 HB3 GLU 56 HB1 GLU 56 64.355 2.231 10.465 411 HG2 GLU 56 HG2 GLU 56 64.829 2.066 12.845 412 HG3 GLU 56 HG1 GLU 56 66.482 1.551 12.512 413 H ASN 57 HN ASN 57 64.865 -2.112 9.816 414 HA ASN 57 HA ASN 57 63.959 -3.165 8.000 415 HB2 ASN 57 HB2 ASN 57 61.962 -0.900 7.998 416 HB3 ASN 57 HB1 ASN 57 61.757 -2.504 7.294 417 HD21 ASN 57 HD21 ASN 57 62.709 -4.183 9.299 418 HD22 ASN 57 HD22 ASN 57 61.785 -3.992 10.710 419 H GLY 58 HN GLY 58 66.100 -1.308 7.511 420 HA2 GLY 58 HA2 GLY 58 67.223 -0.860 5.497 421 HA3 GLY 58 HA1 GLY 58 65.697 -0.963 4.636 422 H LEU 59 HN LEU 59 65.169 1.031 7.242 423 HA LEU 59 HA LEU 59 64.994 3.361 5.610 424 HB2 LEU 59 HB2 LEU 59 63.688 2.771 7.785 425 HB3 LEU 59 HB1 LEU 59 65.091 3.436 8.618 426 HG LEU 59 HG LEU 59 64.746 5.473 6.952 427 HD11 LEU 59 HD11 LEU 59 62.893 4.258 5.716 428 HD12 LEU 59 HD12 LEU 59 62.454 5.857 6.309 429 HD13 LEU 59 HD13 LEU 59 61.910 4.419 7.169 430 HD21 LEU 59 HD21 LEU 59 64.582 5.741 9.343 431 HD22 LEU 59 HD22 LEU 59 63.039 4.888 9.389 432 HD23 LEU 59 HD23 LEU 59 63.145 6.479 8.636 433 H ARG 60 HN ARG 60 67.544 1.886 7.292 434 HA ARG 60 HA ARG 60 69.334 4.142 6.691 435 HB2 ARG 60 HB2 ARG 60 68.696 4.406 9.078 436 HB3 ARG 60 HB1 ARG 60 69.265 2.767 9.395 437 HG2 ARG 60 HG2 ARG 60 71.535 3.421 8.617 438 HG3 ARG 60 HG1 ARG 60 70.955 5.065 8.358 439 HD2 ARG 60 HD2 ARG 60 70.822 3.638 11.023 440 HD3 ARG 60 HD1 ARG 60 72.140 4.707 10.555 441 HE ARG 60 HE ARG 60 69.750 6.110 10.171 442 HH11 ARG 60 HH11 ARG 60 71.764 4.794 12.647 443 HH12 ARG 60 HH12 ARG 60 71.166 5.842 13.889 444 HH21 ARG 60 HH21 ARG 60 68.867 7.410 11.816 445 HH22 ARG 60 HH22 ARG 60 69.522 7.328 13.416 446 H HIS 61 HN HIS 61 70.286 2.970 5.071 447 HA HIS 61 HA HIS 61 71.256 0.270 5.555 448 HB2 HIS 61 HB2 HIS 61 71.366 2.086 3.148 449 HB3 HIS 61 HB1 HIS 61 72.094 0.482 3.182 450 HD1 HIS 61 HD1 HIS 61 68.898 2.220 2.683 451 HD2 HIS 61 HD2 HIS 61 70.103 -1.662 3.613 452 HE1 HIS 61 HE1 HIS 61 66.914 0.720 2.207 453 H LEU 62 HN LEU 62 73.281 -0.337 6.025 454 HA LEU 62 HA LEU 62 75.457 1.678 5.887 455 HB2 LEU 62 HB2 LEU 62 75.124 -0.499 7.972 456 HB3 LEU 62 HB1 LEU 62 76.420 0.685 7.887 457 HG LEU 62 HG LEU 62 74.320 2.400 7.936 458 HD11 LEU 62 HD11 LEU 62 72.619 1.539 9.530 459 HD12 LEU 62 HD12 LEU 62 73.383 -0.048 9.469 460 HD13 LEU 62 HD13 LEU 62 72.626 0.619 8.026 461 HD21 LEU 62 HD21 LEU 62 76.257 2.250 9.565 462 HD22 LEU 62 HD22 LEU 62 75.326 1.049 10.461 463 HD23 LEU 62 HD23 LEU 62 74.720 2.696 10.306 464 H LEU 63 HN LEU 63 77.457 0.919 5.232 465 HA LEU 63 HA LEU 63 77.647 -1.916 4.353 466 HB2 LEU 63 HB2 LEU 63 77.389 -0.747 2.316 467 HB3 LEU 63 HB1 LEU 63 78.336 0.623 2.878 468 HG LEU 63 HG LEU 63 80.398 -0.678 2.747 469 HD11 LEU 63 HD11 LEU 63 80.258 -3.009 1.729 470 HD12 LEU 63 HD12 LEU 63 78.533 -2.957 2.073 471 HD13 LEU 63 HD13 LEU 63 79.692 -2.879 3.393 472 HD21 LEU 63 HD21 LEU 63 78.887 -1.292 0.208 473 HD22 LEU 63 HD22 LEU 63 80.574 -0.813 0.401 474 HD23 LEU 63 HD23 LEU 63 79.291 0.366 0.661 475 H LEU 64 HN LEU 64 79.195 -2.874 5.708 476 HA LEU 64 HA LEU 64 81.395 -1.181 6.671 477 HB2 LEU 64 HB2 LEU 64 80.115 -3.760 7.570 478 HB3 LEU 64 HB1 LEU 64 81.738 -3.342 8.119 479 HG LEU 64 HG LEU 64 80.911 -1.234 9.033 480 HD11 LEU 64 HD11 LEU 64 79.137 -0.560 7.645 481 HD12 LEU 64 HD12 LEU 64 78.307 -1.041 9.123 482 HD13 LEU 64 HD13 LEU 64 78.343 -2.131 7.736 483 HD21 LEU 64 HD21 LEU 64 80.838 -3.237 10.462 484 HD22 LEU 64 HD22 LEU 64 79.217 -3.602 9.871 485 HD23 LEU 64 HD23 LEU 64 79.498 -2.153 10.837 486 H LEU 65 HN LEU 65 83.353 -1.354 5.865 487 HA LEU 65 HA LEU 65 84.128 -3.770 4.326 488 HB2 LEU 65 HB2 LEU 65 85.240 -0.954 4.156 489 HB3 LEU 65 HB1 LEU 65 85.809 -2.334 3.223 490 HG LEU 65 HG LEU 65 82.999 -1.184 3.127 491 HD11 LEU 65 HD11 LEU 65 84.568 0.304 2.014 492 HD12 LEU 65 HD12 LEU 65 83.643 -0.557 0.792 493 HD13 LEU 65 HD13 LEU 65 85.297 -1.047 1.151 494 HD21 LEU 65 HD21 LEU 65 82.637 -3.404 2.555 495 HD22 LEU 65 HD22 LEU 65 84.276 -3.637 1.951 496 HD23 LEU 65 HD23 LEU 65 83.089 -2.776 0.972 497 H LYS 66 HN LYS 66 86.679 -4.073 4.529 498 HA LYS 66 HA LYS 66 87.712 -3.263 7.118 499 HB2 LYS 66 HB2 LYS 66 87.094 -6.165 6.514 500 HB3 LYS 66 HB1 LYS 66 88.202 -5.646 7.781 501 HG2 LYS 66 HG2 LYS 66 86.362 -4.341 8.829 502 HG3 LYS 66 HG1 LYS 66 85.260 -4.933 7.588 503 HD2 LYS 66 HD2 LYS 66 85.735 -7.257 8.278 504 HD3 LYS 66 HD1 LYS 66 86.786 -6.650 9.557 505 HE2 LYS 66 HE2 LYS 66 83.821 -6.066 9.275 506 HE3 LYS 66 HE1 LYS 66 84.548 -7.163 10.448 507 HZ1 LYS 66 HZ1 LYS 66 84.060 -4.920 11.332 508 HZ2 LYS 66 HZ2 LYS 66 85.202 -4.276 10.251 509 HZ3 LYS 66 HZ3 LYS 66 85.693 -5.358 11.464 510 H ASN 67 HN ASN 67 89.926 -4.238 7.446 511 HA ASN 67 HA ASN 67 92.124 -4.084 6.594 512 HB2 ASN 67 HB2 ASN 67 90.869 -6.420 5.131 513 HB3 ASN 67 HB1 ASN 67 92.606 -6.151 5.299 514 HD21 ASN 67 HD21 ASN 67 90.731 -8.316 6.460 515 HD22 ASN 67 HD22 ASN 67 91.074 -8.297 8.122 516 H LEU 68 HN LEU 68 90.812 -2.104 5.346 517 HA LEU 68 HA LEU 68 90.483 -2.262 2.597 518 HB2 LEU 68 HB2 LEU 68 91.173 0.074 4.361 519 HB3 LEU 68 HB1 LEU 68 90.778 0.246 2.653 520 HG LEU 68 HG LEU 68 88.988 -1.157 4.656 521 HD11 LEU 68 HD11 LEU 68 89.153 1.146 5.343 522 HD12 LEU 68 HD12 LEU 68 87.613 0.947 4.509 523 HD13 LEU 68 HD13 LEU 68 88.973 1.709 3.682 524 HD21 LEU 68 HD21 LEU 68 88.790 -0.464 1.734 525 HD22 LEU 68 HD22 LEU 68 87.319 -0.380 2.698 526 HD23 LEU 68 HD23 LEU 68 88.212 -1.892 2.592 527 H ARG 69 HN ARG 69 91.836 -2.840 1.131 528 HA ARG 69 HA ARG 69 94.698 -2.205 1.332 529 HB2 ARG 69 HB2 ARG 69 94.805 -3.767 -0.685 530 HB3 ARG 69 HB1 ARG 69 94.288 -4.512 0.823 531 HG2 ARG 69 HG2 ARG 69 92.128 -3.371 -0.908 532 HG3 ARG 69 HG1 ARG 69 92.929 -4.818 -1.510 533 HD2 ARG 69 HD2 ARG 69 91.694 -4.567 1.245 534 HD3 ARG 69 HD1 ARG 69 90.917 -5.332 -0.133 535 HE ARG 69 HE ARG 69 93.314 -6.332 1.282 536 HH11 ARG 69 HH21 ARG 69 92.555 -6.836 -1.804 537 HH12 ARG 69 HH22 ARG 69 92.026 -8.481 -1.673 538 HH21 ARG 69 HH11 ARG 69 91.856 -8.431 1.786 539 HH22 ARG 69 HH12 ARG 69 91.628 -9.381 0.355 540 HA PRO 70 HA PRO 70 94.346 1.134 -1.523 541 HB2 PRO 70 HB2 PRO 70 96.493 0.379 -3.314 542 HB3 PRO 70 HB1 PRO 70 96.513 1.608 -2.043 543 HG2 PRO 70 HG2 PRO 70 97.742 -0.995 -2.033 544 HG3 PRO 70 HG1 PRO 70 97.843 0.274 -0.808 545 HD2 PRO 70 HD2 PRO 70 96.433 -2.200 -0.604 546 HD3 PRO 70 HD1 PRO 70 96.415 -0.864 0.558 547 H GLN 71 HN GLN 71 94.784 -2.077 -2.920 548 HA GLN 71 HA GLN 71 93.864 -1.575 -5.516 549 HB2 GLN 71 HB2 GLN 71 94.903 -3.712 -4.825 550 HB3 GLN 71 HB1 GLN 71 93.459 -4.094 -3.887 551 HG2 GLN 71 HG2 GLN 71 92.079 -4.106 -5.886 552 HG3 GLN 71 HG1 GLN 71 93.426 -3.518 -6.863 553 HE21 GLN 71 HE21 GLN 71 92.141 -5.939 -7.549 554 HE22 GLN 71 HE22 GLN 71 93.203 -7.232 -7.257 555 H ASP 72 HN ASP 72 91.957 -2.944 -2.789 556 HA ASP 72 HA ASP 72 89.520 -3.054 -3.969 557 HB2 ASP 72 HB2 ASP 72 90.000 -3.885 -1.723 558 HB3 ASP 72 HB1 ASP 72 90.106 -2.232 -1.120 559 H SER 73 HN SER 73 91.057 -0.050 -2.710 560 HA SER 73 HA SER 73 88.912 1.614 -2.539 561 HB2 SER 73 HB2 SER 73 90.402 3.379 -2.821 562 HB3 SER 73 HB1 SER 73 91.497 2.067 -2.396 563 HG SER 73 HG SER 73 90.803 2.884 -5.028 564 H CYS 74 HN CYS 74 87.354 2.325 -3.874 565 HA CYS 74 HA CYS 74 87.751 2.733 -6.672 566 HB2 CYS 74 HB2 CYS 74 87.592 0.177 -6.406 567 HB3 CYS 74 HB1 CYS 74 85.884 0.451 -6.061 568 HG CYS 74 HG CYS 74 87.242 1.267 -8.763 569 H ARG 75 HN ARG 75 84.812 1.776 -7.003 570 HA ARG 75 HA ARG 75 83.598 4.279 -5.975 571 HB2 ARG 75 HB2 ARG 75 82.822 2.517 -8.303 572 HB3 ARG 75 HB1 ARG 75 81.977 3.980 -7.801 573 HG2 ARG 75 HG2 ARG 75 84.033 5.295 -8.186 574 HG3 ARG 75 HG1 ARG 75 84.861 3.826 -8.714 575 HD2 ARG 75 HD2 ARG 75 83.147 3.522 -10.476 576 HD3 ARG 75 HD1 ARG 75 82.395 5.037 -9.982 577 HE ARG 75 HE ARG 75 84.870 4.731 -11.489 578 HH11 ARG 75 HH11 ARG 75 82.573 6.791 -9.931 579 HH12 ARG 75 HH12 ARG 75 83.382 8.255 -10.373 580 HH21 ARG 75 HH21 ARG 75 86.047 6.640 -11.895 581 HH22 ARG 75 HH22 ARG 75 85.343 8.172 -11.493 582 H VAL 76 HN VAL 76 81.737 4.249 -4.834 583 HA VAL 76 HA VAL 76 80.534 1.614 -4.181 584 HB VAL 76 HB VAL 76 80.506 4.150 -2.515 585 HG11 VAL 76 HG11 VAL 76 79.545 2.737 -0.792 586 HG12 VAL 76 HG12 VAL 76 79.738 1.304 -1.800 587 HG13 VAL 76 HG13 VAL 76 78.575 2.549 -2.251 588 HG21 VAL 76 HG21 VAL 76 82.766 3.013 -2.769 589 HG22 VAL 76 HG22 VAL 76 82.047 1.591 -2.014 590 HG23 VAL 76 HG23 VAL 76 82.161 3.104 -1.115 591 H THR 77 HN THR 77 78.712 1.385 -5.361 592 HA THR 77 HA THR 77 76.997 3.781 -5.787 593 HB THR 77 HB THR 77 77.472 1.435 -7.632 594 HG1 THR 77 HG1 THR 77 78.726 2.762 -8.699 595 HG21 THR 77 HG21 THR 77 75.253 2.010 -8.075 596 HG22 THR 77 HG22 THR 77 76.127 3.069 -9.181 597 HG23 THR 77 HG23 THR 77 75.503 3.708 -7.663 598 H PHE 78 HN PHE 78 75.006 3.704 -5.124 599 HA PHE 78 HA PHE 78 73.662 1.110 -4.658 600 HB2 PHE 78 HB2 PHE 78 74.236 1.819 -2.459 601 HB3 PHE 78 HB1 PHE 78 73.879 3.504 -2.824 602 HD1 PHE 78 HD2 PHE 78 71.900 0.353 -3.420 603 HD2 PHE 78 HD1 PHE 78 72.098 4.172 -1.463 604 HE1 PHE 78 HE2 PHE 78 69.593 0.048 -2.591 605 HE2 PHE 78 HE1 PHE 78 69.784 3.865 -0.634 606 HZ PHE 78 HZ PHE 78 68.529 1.802 -1.195 607 H LEU 79 HN LEU 79 71.883 1.023 -5.927 608 HA LEU 79 HA LEU 79 70.438 3.555 -6.511 609 HB2 LEU 79 HB2 LEU 79 71.601 3.050 -8.510 610 HB3 LEU 79 HB1 LEU 79 71.237 1.333 -8.389 611 HG LEU 79 HG LEU 79 68.898 1.721 -8.887 612 HD11 LEU 79 HD11 LEU 79 69.663 4.603 -8.462 613 HD12 LEU 79 HD12 LEU 79 68.309 3.710 -7.781 614 HD13 LEU 79 HD13 LEU 79 68.276 4.199 -9.472 615 HD21 LEU 79 HD21 LEU 79 70.669 3.385 -10.704 616 HD22 LEU 79 HD22 LEU 79 69.087 2.737 -11.134 617 HD23 LEU 79 HD23 LEU 79 70.430 1.641 -10.814 618 H ALA 80 HN ALA 80 68.720 3.379 -5.251 619 HA ALA 80 HA ALA 80 66.957 1.008 -5.563 620 HB1 ALA 80 HB1 ALA 80 66.070 1.883 -3.257 621 HB2 ALA 80 HB2 ALA 80 67.630 2.700 -3.167 622 HB3 ALA 80 HB3 ALA 80 67.561 0.943 -3.299 623 H GLY 81 HN GLY 81 65.132 1.504 -6.651 624 HA2 GLY 81 HA2 GLY 81 63.373 2.726 -7.513 625 HA3 GLY 81 HA1 GLY 81 63.485 3.711 -6.056 626 H ASP 82 HN ASP 82 62.820 5.308 -7.931 627 HA ASP 82 HA ASP 82 64.686 6.149 -9.839 628 HB2 ASP 82 HB2 ASP 82 62.429 7.592 -8.452 629 HB3 ASP 82 HB1 ASP 82 63.352 8.296 -9.778 630 H MET 83 HN MET 83 65.950 5.887 -7.129 631 HA MET 83 HA MET 83 67.082 8.627 -6.961 632 HB2 MET 83 HB2 MET 83 66.845 6.791 -4.579 633 HB3 MET 83 HB1 MET 83 67.144 8.531 -4.606 634 HG2 MET 83 HG2 MET 83 64.843 8.772 -5.693 635 HG3 MET 83 HG1 MET 83 64.571 7.084 -5.264 636 HE1 MET 83 HE1 MET 83 66.092 6.966 -2.163 637 HE2 MET 83 HE2 MET 83 64.885 6.110 -3.120 638 HE3 MET 83 HE3 MET 83 64.424 6.852 -1.588 639 H VAL 84 HN VAL 84 69.228 8.694 -7.307 640 HA VAL 84 HA VAL 84 70.800 6.196 -6.950 641 HB VAL 84 HB VAL 84 70.586 6.526 -9.306 642 HG11 VAL 84 HG11 VAL 84 69.766 8.766 -9.446 643 HG12 VAL 84 HG12 VAL 84 71.281 8.727 -10.345 644 HG13 VAL 84 HG13 VAL 84 71.236 9.421 -8.728 645 HG21 VAL 84 HG21 VAL 84 72.919 6.120 -8.330 646 HG22 VAL 84 HG22 VAL 84 73.226 7.832 -8.619 647 HG23 VAL 84 HG23 VAL 84 72.866 6.762 -9.973 648 H THR 85 HN THR 85 72.522 6.312 -5.704 649 HA THR 85 HA THR 85 73.719 8.951 -5.064 650 HB THR 85 HB THR 85 73.701 8.469 -2.783 651 HG1 THR 85 HG1 THR 85 73.541 6.256 -2.064 652 HG21 THR 85 HG21 THR 85 71.341 8.527 -3.581 653 HG22 THR 85 HG22 THR 85 71.538 7.499 -2.163 654 HG23 THR 85 HG23 THR 85 71.378 6.773 -3.755 655 H SER 86 HN SER 86 75.989 8.976 -5.093 656 HA SER 86 HA SER 86 77.472 6.462 -5.136 657 HB2 SER 86 HB2 SER 86 77.157 8.198 -7.575 658 HB3 SER 86 HB1 SER 86 78.573 7.173 -7.357 659 HG SER 86 HG SER 86 77.187 5.397 -7.185 660 H ALA 87 HN ALA 87 79.558 6.694 -4.420 661 HA ALA 87 HA ALA 87 80.784 9.369 -4.397 662 HB1 ALA 87 HB1 ALA 87 79.472 9.072 -2.268 663 HB2 ALA 87 HB2 ALA 87 81.197 9.354 -2.039 664 HB3 ALA 87 HB3 ALA 87 80.540 7.725 -1.873 665 H PHE 88 HN PHE 88 83.014 9.381 -3.914 666 HA PHE 88 HA PHE 88 84.430 7.123 -4.992 667 HB2 PHE 88 HB2 PHE 88 85.357 9.769 -3.862 668 HB3 PHE 88 HB1 PHE 88 86.423 8.586 -4.618 669 HD1 PHE 88 HD2 PHE 88 83.685 10.986 -5.171 670 HD2 PHE 88 HD1 PHE 88 86.325 8.143 -7.012 671 HE1 PHE 88 HE2 PHE 88 83.077 11.871 -7.407 672 HE2 PHE 88 HE1 PHE 88 85.715 9.024 -9.248 673 HZ PHE 88 HZ PHE 88 84.092 10.890 -9.446 674 H LEU 89 HN LEU 89 86.284 6.157 -4.002 675 HA LEU 89 HA LEU 89 86.224 6.001 -1.042 676 HB2 LEU 89 HB2 LEU 89 85.228 3.935 -1.899 677 HB3 LEU 89 HB1 LEU 89 86.571 3.719 -3.011 678 HG LEU 89 HG LEU 89 88.126 3.452 -1.103 679 HD11 LEU 89 HD11 LEU 89 87.053 3.082 1.175 680 HD12 LEU 89 HD12 LEU 89 85.605 3.836 0.525 681 HD13 LEU 89 HD13 LEU 89 87.102 4.757 0.638 682 HD21 LEU 89 HD21 LEU 89 86.644 1.543 -2.128 683 HD22 LEU 89 HD22 LEU 89 85.810 1.595 -0.578 684 HD23 LEU 89 HD23 LEU 89 87.535 1.234 -0.639 685 H THR 90 HN THR 90 88.256 6.089 -0.083 686 HA THR 90 HA THR 90 90.620 5.940 -1.855 687 HB THR 90 HB THR 90 90.120 8.196 0.099 688 HG1 THR 90 HG1 THR 90 89.021 7.986 -2.121 689 HG21 THR 90 HG21 THR 90 92.366 7.583 -1.839 690 HG22 THR 90 HG22 THR 90 92.477 7.650 -0.081 691 HG23 THR 90 HG23 THR 90 92.173 9.123 -1.002 692 H VAL 91 HN VAL 91 92.145 4.695 -1.024 693 HA VAL 91 HA VAL 91 92.296 4.359 1.931 694 HB VAL 91 HB VAL 91 92.760 2.237 -0.182 695 HG11 VAL 91 HG11 VAL 91 92.559 2.031 2.836 696 HG12 VAL 91 HG12 VAL 91 94.070 1.984 1.929 697 HG13 VAL 91 HG13 VAL 91 92.875 0.709 1.715 698 HG21 VAL 91 HG21 VAL 91 90.653 1.276 0.549 699 HG22 VAL 91 HG22 VAL 91 90.368 2.944 0.055 700 HG23 VAL 91 HG23 VAL 91 90.459 2.534 1.768 701 H ARG 92 HN ARG 92 94.114 5.373 2.522 702 HA ARG 92 HA ARG 92 96.517 5.207 0.805 703 HB2 ARG 92 HB2 ARG 92 95.740 7.084 3.039 704 HB3 ARG 92 HB1 ARG 92 97.326 7.079 2.266 705 HG2 ARG 92 HG2 ARG 92 96.276 7.492 0.082 706 HG3 ARG 92 HG1 ARG 92 94.683 7.488 0.843 707 HD2 ARG 92 HD2 ARG 92 95.332 9.391 2.245 708 HD3 ARG 92 HD1 ARG 92 96.937 9.393 1.519 709 HE ARG 92 HE ARG 92 94.725 9.662 -0.361 710 HH11 ARG 92 HH21 ARG 92 97.764 10.773 0.198 711 HH12 ARG 92 HH22 ARG 92 97.435 12.457 -0.042 712 HH21 ARG 92 HH11 ARG 92 93.993 12.062 -0.054 713 HH22 ARG 92 HH12 ARG 92 95.307 13.184 -0.192 714 H GLY 93 HN GLY 93 98.432 4.436 1.531 715 HA2 GLY 93 HA2 GLY 93 98.542 3.281 4.265 716 HA3 GLY 93 HA1 GLY 93 99.166 2.425 2.855 717 H GLY 94 HN GLY 94 99.492 5.838 2.907 718 HA2 GLY 94 HA2 GLY 94 102.379 5.640 2.932 719 HA3 GLY 94 HA1 GLY 94 101.428 7.102 2.692 720 H LEU 95 HN LEU 95 103.722 6.972 4.313 721 HA LEU 95 HA LEU 95 102.852 6.869 7.092 722 HB2 LEU 95 HB2 LEU 95 105.065 6.021 6.534 723 HB3 LEU 95 HB1 LEU 95 105.505 7.562 5.805 724 HG LEU 95 HG LEU 95 105.335 8.680 7.976 725 HD11 LEU 95 HD11 LEU 95 103.625 7.608 9.168 726 HD12 LEU 95 HD12 LEU 95 105.063 7.031 10.002 727 HD13 LEU 95 HD13 LEU 95 104.254 5.996 8.824 728 HD21 LEU 95 HD21 LEU 95 106.936 6.102 8.053 729 HD22 LEU 95 HD22 LEU 95 107.180 7.465 9.147 730 HD23 LEU 95 HD23 LEU 95 107.482 7.656 7.420 731 H GLU 96 HN GLU 96 104.825 9.318 5.449 732 HA GLU 96 HA GLU 96 103.706 11.418 7.077 733 HB2 GLU 96 HB2 GLU 96 105.680 11.455 4.784 734 HB3 GLU 96 HB1 GLU 96 105.210 12.884 5.704 735 HG2 GLU 96 HG2 GLU 96 106.001 11.819 7.779 736 HG3 GLU 96 HG1 GLU 96 106.468 10.385 6.865 737 H HIS 97 HN HIS 97 102.393 13.098 6.455 738 HA HIS 97 HA HIS 97 100.948 12.738 3.887 739 HB2 HIS 97 HB2 HIS 97 100.101 14.109 6.452 740 HB3 HIS 97 HB1 HIS 97 99.133 14.017 4.979 741 HD1 HIS 97 HD1 HIS 97 100.048 12.112 7.994 742 HD2 HIS 97 HD2 HIS 97 98.402 11.258 4.260 743 HE1 HIS 97 HE1 HIS 97 99.059 9.787 8.162 744 H HIS 98 HN HIS 98 101.300 14.210 2.347 745 HA HIS 98 HA HIS 98 102.890 16.556 2.891 746 HB2 HIS 98 HB2 HIS 98 103.125 15.328 0.762 747 HB3 HIS 98 HB1 HIS 98 101.459 15.745 0.347 748 HD1 HIS 98 HD1 HIS 98 104.744 17.470 1.200 749 HD2 HIS 98 HD2 HIS 98 101.190 18.253 -0.834 750 HE1 HIS 98 HE1 HIS 98 105.021 19.746 0.129 751 H HIS 99 HN HIS 99 99.510 15.834 2.253 752 HA HIS 99 HA HIS 99 98.745 18.626 2.103 753 HB2 HIS 99 HB2 HIS 99 96.389 17.523 2.176 754 HB3 HIS 99 HB1 HIS 99 97.401 17.247 0.758 755 HD1 HIS 99 HD1 HIS 99 96.175 15.545 3.893 756 HD2 HIS 99 HD2 HIS 99 98.284 14.577 0.429 757 HE1 HIS 99 HE1 HIS 99 96.361 13.020 3.850 758 H HIS 100 HN HIS 100 97.066 19.498 3.532 759 HA HIS 100 HA HIS 100 97.001 18.383 6.254 760 HB2 HIS 100 HB2 HIS 100 97.859 21.199 5.552 761 HB3 HIS 100 HB1 HIS 100 97.393 20.688 7.174 762 HD1 HIS 100 HD1 HIS 100 98.799 18.355 7.935 763 HD2 HIS 100 HD2 HIS 100 100.571 20.918 5.165 764 HE1 HIS 100 HE1 HIS 100 101.274 17.820 7.947 765 H HIS 101 HN HIS 101 95.163 18.932 7.410 766 HA HIS 101 HA HIS 101 92.981 20.140 5.800 767 HB2 HIS 101 HB2 HIS 101 92.900 17.682 6.611 768 HB3 HIS 101 HB1 HIS 101 92.616 18.362 8.210 769 HD1 HIS 101 HD1 HIS 101 90.527 16.718 6.392 770 HD2 HIS 101 HD2 HIS 101 90.579 20.845 6.973 771 HE1 HIS 101 HE1 HIS 101 88.180 17.537 5.917 772 H HIS 102 HN HIS 102 92.429 22.122 6.396 773 HA HIS 102 HA HIS 102 93.109 23.134 9.056 774 HB2 HIS 102 HB2 HIS 102 93.576 24.507 7.051 775 HB3 HIS 102 HB1 HIS 102 91.852 24.536 6.681 776 HD1 HIS 102 HD1 HIS 102 94.320 25.713 9.300 777 HD2 HIS 102 HD2 HIS 102 90.362 26.386 8.178 778 HE1 HIS 102 HE1 HIS 102 93.521 27.702 10.648 Start of MODEL 20 1 H1 THR 1 HT1 THR 1 55.640 -0.399 -1.992 2 H2 THR 1 HT2 THR 1 57.216 0.087 -2.401 3 H3 THR 1 HT3 THR 1 56.535 -1.292 -3.119 4 HA THR 1 HA THR 1 56.603 1.031 -4.346 5 HB THR 1 HB THR 1 54.180 -0.775 -4.464 6 HG1 THR 1 HG1 THR 1 55.949 -2.094 -4.419 7 HG21 THR 1 HG21 THR 1 54.357 1.314 -5.926 8 HG22 THR 1 HG22 THR 1 54.113 -0.209 -6.778 9 HG23 THR 1 HG23 THR 1 55.716 0.523 -6.717 10 H ALA 2 HN ALA 2 56.192 2.360 -2.167 11 HA ALA 2 HA ALA 2 53.450 3.462 -2.382 12 HB1 ALA 2 HB1 ALA 2 53.247 3.628 -0.005 13 HB2 ALA 2 HB2 ALA 2 54.917 3.121 0.239 14 HB3 ALA 2 HB3 ALA 2 53.723 1.966 -0.352 15 H LYS 3 HN LYS 3 56.761 3.966 -1.136 16 HA LYS 3 HA LYS 3 56.917 6.581 -2.299 17 HB2 LYS 3 HB2 LYS 3 55.412 6.978 -0.328 18 HB3 LYS 3 HB1 LYS 3 56.737 6.462 0.720 19 HG2 LYS 3 HG2 LYS 3 58.160 8.264 -0.176 20 HG3 LYS 3 HG1 LYS 3 56.848 8.777 -1.240 21 HD2 LYS 3 HD2 LYS 3 55.426 9.205 0.750 22 HD3 LYS 3 HD1 LYS 3 56.767 8.731 1.793 23 HE2 LYS 3 HE2 LYS 3 58.148 10.552 0.870 24 HE3 LYS 3 HE1 LYS 3 56.818 11.024 -0.190 25 HZ1 LYS 3 HZ1 LYS 3 56.394 12.398 1.537 26 HZ2 LYS 3 HZ2 LYS 3 57.122 11.383 2.687 27 HZ3 LYS 3 HZ3 LYS 3 55.557 11.043 2.120 28 H ASN 4 HN ASN 4 59.026 7.067 -2.634 29 HA ASN 4 HA ASN 4 61.057 6.110 -0.758 30 HB2 ASN 4 HB2 ASN 4 61.514 5.761 -3.705 31 HB3 ASN 4 HB1 ASN 4 62.366 5.013 -2.354 32 HD21 ASN 4 HD21 ASN 4 60.341 4.164 -4.773 33 HD22 ASN 4 HD22 ASN 4 59.450 2.939 -4.010 34 H THR 5 HN THR 5 62.106 7.935 -0.123 35 HA THR 5 HA THR 5 62.911 9.860 -2.221 36 HB THR 5 HB THR 5 61.375 10.561 0.297 37 HG1 THR 5 HG1 THR 5 59.906 11.373 -1.164 38 HG21 THR 5 HG21 THR 5 61.649 12.928 -0.687 39 HG22 THR 5 HG22 THR 5 62.985 12.250 -1.621 40 HG23 THR 5 HG23 THR 5 63.039 12.232 0.144 41 H VAL 6 HN VAL 6 65.044 9.725 -2.025 42 HA VAL 6 HA VAL 6 66.425 9.039 0.342 43 HB VAL 6 HB VAL 6 67.325 8.775 -1.964 44 HG11 VAL 6 HG11 VAL 6 68.124 10.632 -3.208 45 HG12 VAL 6 HG12 VAL 6 68.040 11.707 -1.813 46 HG13 VAL 6 HG13 VAL 6 66.559 11.166 -2.600 47 HG21 VAL 6 HG21 VAL 6 68.741 8.869 0.193 48 HG22 VAL 6 HG22 VAL 6 69.187 10.497 -0.324 49 HG23 VAL 6 HG23 VAL 6 69.580 9.108 -1.337 50 H VAL 7 HN VAL 7 67.101 10.153 2.013 51 HA VAL 7 HA VAL 7 66.554 13.017 2.169 52 HB VAL 7 HB VAL 7 67.622 11.093 4.261 53 HG11 VAL 7 HG11 VAL 7 68.126 13.442 4.745 54 HG12 VAL 7 HG12 VAL 7 66.864 12.856 5.833 55 HG13 VAL 7 HG13 VAL 7 66.441 13.877 4.455 56 HG21 VAL 7 HG21 VAL 7 65.303 11.077 5.110 57 HG22 VAL 7 HG22 VAL 7 65.365 10.461 3.455 58 HG23 VAL 7 HG23 VAL 7 64.804 12.105 3.764 59 H ARG 8 HN ARG 8 69.242 10.735 2.394 60 HA ARG 8 HA ARG 8 71.151 12.834 1.636 61 HB2 ARG 8 HB2 ARG 8 71.560 12.893 3.940 62 HB3 ARG 8 HB1 ARG 8 71.222 11.176 4.141 63 HG2 ARG 8 HG2 ARG 8 73.319 10.537 3.179 64 HG3 ARG 8 HG1 ARG 8 73.625 12.161 2.557 65 HD2 ARG 8 HD2 ARG 8 73.415 11.410 5.497 66 HD3 ARG 8 HD1 ARG 8 74.931 11.635 4.630 67 HE ARG 8 HE ARG 8 73.126 13.721 5.541 68 HH11 ARG 8 HH21 ARG 8 73.839 14.173 2.588 69 HH12 ARG 8 HH22 ARG 8 75.242 15.181 2.726 70 HH21 ARG 8 HH11 ARG 8 75.763 14.444 6.071 71 HH22 ARG 8 HH12 ARG 8 76.311 15.353 4.702 72 H GLY 9 HN GLY 9 72.573 12.143 0.169 73 HA2 GLY 9 HA2 GLY 9 72.559 9.325 -0.600 74 HA3 GLY 9 HA1 GLY 9 73.261 10.659 -1.519 75 H LEU 10 HN LEU 10 74.967 8.747 -1.454 76 HA LEU 10 HA LEU 10 76.538 8.556 0.943 77 HB2 LEU 10 HB2 LEU 10 77.066 7.672 -1.894 78 HB3 LEU 10 HB1 LEU 10 78.093 7.271 -0.515 79 HG LEU 10 HG LEU 10 75.129 6.663 -0.631 80 HD11 LEU 10 HD11 LEU 10 76.103 5.377 -2.393 81 HD12 LEU 10 HD12 LEU 10 75.982 4.274 -1.022 82 HD13 LEU 10 HD13 LEU 10 77.533 5.005 -1.431 83 HD21 LEU 10 HD21 LEU 10 77.351 6.058 1.301 84 HD22 LEU 10 HD22 LEU 10 76.053 4.887 1.121 85 HD23 LEU 10 HD23 LEU 10 75.691 6.531 1.624 86 H GLU 11 HN GLU 11 78.965 9.007 0.857 87 HA GLU 11 HA GLU 11 79.651 11.393 -0.706 88 HB2 GLU 11 HB2 GLU 11 80.540 12.497 1.326 89 HB3 GLU 11 HB1 GLU 11 78.792 12.290 1.402 90 HG2 GLU 11 HG2 GLU 11 79.097 10.236 2.756 91 HG3 GLU 11 HG1 GLU 11 80.846 10.480 2.708 92 H ASN 12 HN ASN 12 82.083 11.928 -0.131 93 HA ASN 12 HA ASN 12 83.561 9.604 -0.836 94 HB2 ASN 12 HB2 ASN 12 85.541 10.977 -0.703 95 HB3 ASN 12 HB1 ASN 12 84.258 11.909 -1.472 96 HD21 ASN 12 HD21 ASN 12 85.557 13.845 -0.732 97 HD22 ASN 12 HD22 ASN 12 85.369 14.394 0.863 98 H VAL 13 HN VAL 13 85.183 8.534 0.334 99 HA VAL 13 HA VAL 13 85.002 8.767 3.295 100 HB VAL 13 HB VAL 13 84.743 6.251 1.638 101 HG11 VAL 13 HG11 VAL 13 86.291 5.658 3.375 102 HG12 VAL 13 HG12 VAL 13 84.705 5.115 3.930 103 HG13 VAL 13 HG13 VAL 13 85.404 6.601 4.574 104 HG21 VAL 13 HG21 VAL 13 82.663 7.457 2.092 105 HG22 VAL 13 HG22 VAL 13 83.064 7.539 3.809 106 HG23 VAL 13 HG23 VAL 13 82.715 5.982 3.060 107 H GLU 14 HN GLU 14 86.903 8.831 4.277 108 HA GLU 14 HA GLU 14 89.360 8.123 2.755 109 HB2 GLU 14 HB2 GLU 14 89.147 10.533 3.291 110 HB3 GLU 14 HB1 GLU 14 88.976 10.132 4.998 111 HG2 GLU 14 HG2 GLU 14 91.225 9.144 5.014 112 HG3 GLU 14 HG1 GLU 14 91.400 9.472 3.289 113 H ALA 15 HN ALA 15 90.592 6.496 3.605 114 HA ALA 15 HA ALA 15 90.492 5.945 6.481 115 HB1 ALA 15 HB1 ALA 15 89.518 4.004 4.371 116 HB2 ALA 15 HB2 ALA 15 88.627 4.634 5.756 117 HB3 ALA 15 HB3 ALA 15 89.966 3.518 6.009 118 H LEU 16 HN LEU 16 92.460 5.299 7.204 119 HA LEU 16 HA LEU 16 94.596 4.932 5.345 120 HB2 LEU 16 HB2 LEU 16 94.369 4.747 8.341 121 HB3 LEU 16 HB1 LEU 16 95.840 4.220 7.525 122 HG LEU 16 HG LEU 16 94.654 6.922 6.910 123 HD11 LEU 16 HD11 LEU 16 96.560 6.284 9.180 124 HD12 LEU 16 HD12 LEU 16 94.888 6.813 9.365 125 HD13 LEU 16 HD13 LEU 16 96.084 7.903 8.662 126 HD21 LEU 16 HD21 LEU 16 97.167 7.408 6.619 127 HD22 LEU 16 HD22 LEU 16 96.430 6.343 5.430 128 HD23 LEU 16 HD23 LEU 16 97.409 5.665 6.728 129 H GLU 17 HN GLU 17 95.962 3.129 5.208 130 HA GLU 17 HA GLU 17 94.794 0.785 4.406 131 HB2 GLU 17 HB2 GLU 17 97.192 1.443 4.064 132 HB3 GLU 17 HB1 GLU 17 97.514 0.955 5.727 133 HG2 GLU 17 HG2 GLU 17 96.725 -1.325 5.219 134 HG3 GLU 17 HG1 GLU 17 96.395 -0.845 3.555 135 H GLY 18 HN GLY 18 94.220 -1.148 5.315 136 HA2 GLY 18 HA2 GLY 18 93.624 -2.693 6.892 137 HA3 GLY 18 HA1 GLY 18 94.813 -1.954 7.968 138 H GLY 19 HN GLY 19 92.342 -0.025 6.520 139 HA2 GLY 19 HA2 GLY 19 91.085 0.394 9.163 140 HA3 GLY 19 HA1 GLY 19 91.054 1.526 7.813 141 H GLU 20 HN GLU 20 88.694 1.296 8.666 142 HA GLU 20 HA GLU 20 87.300 -0.788 7.065 143 HB2 GLU 20 HB2 GLU 20 85.434 -0.570 8.657 144 HB3 GLU 20 HB1 GLU 20 86.910 -1.073 9.479 145 HG2 GLU 20 HG2 GLU 20 85.957 1.812 9.341 146 HG3 GLU 20 HG1 GLU 20 85.639 0.727 10.685 147 H ALA 21 HN ALA 21 84.965 0.046 6.502 148 HA ALA 21 HA ALA 21 85.104 2.929 5.768 149 HB1 ALA 21 HB1 ALA 21 83.892 0.816 3.992 150 HB2 ALA 21 HB2 ALA 21 85.553 1.377 3.808 151 HB3 ALA 21 HB3 ALA 21 84.219 2.502 3.618 152 H LEU 22 HN LEU 22 83.364 4.091 6.258 153 HA LEU 22 HA LEU 22 80.915 2.661 7.127 154 HB2 LEU 22 HB2 LEU 22 82.297 5.121 8.184 155 HB3 LEU 22 HB1 LEU 22 80.593 4.835 8.508 156 HG LEU 22 HG LEU 22 82.066 4.041 10.342 157 HD11 LEU 22 HD11 LEU 22 79.831 2.883 9.543 158 HD12 LEU 22 HD12 LEU 22 80.820 2.152 10.801 159 HD13 LEU 22 HD13 LEU 22 80.907 1.541 9.151 160 HD21 LEU 22 HD21 LEU 22 83.749 2.487 10.087 161 HD22 LEU 22 HD22 LEU 22 83.855 3.268 8.514 162 HD23 LEU 22 HD23 LEU 22 83.005 1.732 8.686 163 H PHE 23 HN PHE 23 79.723 2.768 5.225 164 HA PHE 23 HA PHE 23 79.272 5.455 4.042 165 HB2 PHE 23 HB2 PHE 23 78.874 2.641 3.027 166 HB3 PHE 23 HB1 PHE 23 78.153 4.031 2.221 167 HD1 PHE 23 HD1 PHE 23 79.633 5.894 1.414 168 HD2 PHE 23 HD2 PHE 23 81.186 2.116 2.729 169 HE1 PHE 23 HE1 PHE 23 81.736 6.347 0.207 170 HE2 PHE 23 HE2 PHE 23 83.298 2.572 1.516 171 HZ PHE 23 HZ PHE 23 83.579 4.687 0.256 172 H GLU 24 HN GLU 24 77.646 6.375 5.277 173 HA GLU 24 HA GLU 24 75.210 4.759 5.769 174 HB2 GLU 24 HB2 GLU 24 76.325 7.226 7.113 175 HB3 GLU 24 HB1 GLU 24 74.681 6.659 7.393 176 HG2 GLU 24 HG2 GLU 24 75.915 5.652 9.127 177 HG3 GLU 24 HG1 GLU 24 75.772 4.366 7.935 178 H CYS 25 HN CYS 25 73.493 5.062 4.611 179 HA CYS 25 HA CYS 25 72.889 7.736 3.483 180 HB2 CYS 25 HB2 CYS 25 71.743 6.124 1.617 181 HB3 CYS 25 HB1 CYS 25 73.381 6.756 1.448 182 HG CYS 25 HG CYS 25 72.652 3.839 2.207 183 H GLN 26 HN GLN 26 70.884 8.403 3.982 184 HA GLN 26 HA GLN 26 69.023 6.408 5.179 185 HB2 GLN 26 HB2 GLN 26 69.452 9.340 5.750 186 HB3 GLN 26 HB1 GLN 26 68.100 8.404 6.393 187 HG2 GLN 26 HG2 GLN 26 69.635 6.859 7.487 188 HG3 GLN 26 HG1 GLN 26 71.019 7.692 6.779 189 HE21 GLN 26 HE21 GLN 26 69.595 7.411 9.680 190 HE22 GLN 26 HE22 GLN 26 69.804 8.982 10.287 191 H LEU 27 HN LEU 27 67.207 6.046 4.150 192 HA LEU 27 HA LEU 27 66.052 8.150 2.432 193 HB2 LEU 27 HB2 LEU 27 65.316 6.119 0.935 194 HB3 LEU 27 HB1 LEU 27 66.916 6.817 0.741 195 HG LEU 27 HG LEU 27 66.886 4.313 0.804 196 HD11 LEU 27 HD11 LEU 27 68.479 4.941 3.224 197 HD12 LEU 27 HD12 LEU 27 68.772 6.011 1.852 198 HD13 LEU 27 HD13 LEU 27 68.978 4.272 1.671 199 HD21 LEU 27 HD21 LEU 27 66.304 3.103 2.730 200 HD22 LEU 27 HD22 LEU 27 65.055 4.336 2.641 201 HD23 LEU 27 HD23 LEU 27 66.391 4.521 3.767 202 H SER 28 HN SER 28 63.789 7.994 2.067 203 HA SER 28 HA SER 28 62.352 6.876 4.364 204 HB2 SER 28 HB2 SER 28 61.926 9.206 4.003 205 HB3 SER 28 HB1 SER 28 61.633 8.951 2.286 206 HG SER 28 HG SER 28 59.749 9.129 3.785 207 H GLN 29 HN GLN 29 61.859 4.797 3.951 208 HA GLN 29 HA GLN 29 59.727 4.120 2.250 209 HB2 GLN 29 HB2 GLN 29 61.138 2.406 0.864 210 HB3 GLN 29 HB1 GLN 29 61.069 4.082 0.333 211 HG2 GLN 29 HG2 GLN 29 63.211 4.557 1.307 212 HG3 GLN 29 HG1 GLN 29 63.252 2.990 2.113 213 HE21 GLN 29 HE21 GLN 29 65.093 2.101 1.024 214 HE22 GLN 29 HE22 GLN 29 65.132 1.834 -0.650 215 HA PRO 30 HA PRO 30 60.722 1.243 5.706 216 HB2 PRO 30 HB2 PRO 30 57.892 1.073 6.317 217 HB3 PRO 30 HB1 PRO 30 59.176 1.821 7.280 218 HG2 PRO 30 HG2 PRO 30 57.129 3.173 5.937 219 HG3 PRO 30 HG1 PRO 30 58.602 3.899 6.600 220 HD2 PRO 30 HD2 PRO 30 57.925 3.285 3.771 221 HD3 PRO 30 HD1 PRO 30 59.075 4.471 4.428 222 H GLU 31 HN GLU 31 60.366 0.664 2.891 223 HA GLU 31 HA GLU 31 59.456 -2.093 3.110 224 HB2 GLU 31 HB2 GLU 31 57.437 -0.804 2.376 225 HB3 GLU 31 HB1 GLU 31 58.346 -0.257 0.970 226 HG2 GLU 31 HG2 GLU 31 58.587 -2.524 0.157 227 HG3 GLU 31 HG1 GLU 31 57.914 -3.179 1.648 228 H VAL 32 HN VAL 32 60.136 -3.340 1.166 229 HA VAL 32 HA VAL 32 62.367 -2.104 -0.314 230 HB VAL 32 HB VAL 32 63.428 -3.315 1.474 231 HG11 VAL 32 HG11 VAL 32 61.317 -4.795 1.856 232 HG12 VAL 32 HG12 VAL 32 62.904 -5.501 2.162 233 HG13 VAL 32 HG13 VAL 32 62.047 -5.866 0.665 234 HG21 VAL 32 HG21 VAL 32 64.793 -4.808 0.209 235 HG22 VAL 32 HG22 VAL 32 64.269 -3.551 -0.910 236 HG23 VAL 32 HG23 VAL 32 63.494 -5.136 -0.941 237 H ALA 33 HN ALA 33 61.930 -2.256 -2.388 238 HA ALA 33 HA ALA 33 60.244 -4.489 -3.379 239 HB1 ALA 33 HB1 ALA 33 59.416 -2.102 -3.610 240 HB2 ALA 33 HB2 ALA 33 59.474 -3.044 -5.101 241 HB3 ALA 33 HB3 ALA 33 60.729 -1.849 -4.763 242 H ALA 34 HN ALA 34 63.112 -2.543 -4.159 243 HA ALA 34 HA ALA 34 64.414 -4.787 -5.400 244 HB1 ALA 34 HB1 ALA 34 63.263 -2.613 -7.148 245 HB2 ALA 34 HB2 ALA 34 62.986 -4.351 -7.270 246 HB3 ALA 34 HB3 ALA 34 64.568 -3.676 -7.676 247 H HIS 35 HN HIS 35 66.533 -4.495 -4.987 248 HA HIS 35 HA HIS 35 67.695 -1.812 -5.271 249 HB2 HIS 35 HB2 HIS 35 67.758 -3.432 -2.714 250 HB3 HIS 35 HB1 HIS 35 68.778 -2.030 -3.031 251 HD1 HIS 35 HD1 HIS 35 65.048 -2.899 -2.975 252 HD2 HIS 35 HD2 HIS 35 67.575 0.363 -2.381 253 HE1 HIS 35 HE1 HIS 35 63.575 -0.967 -2.255 254 H THR 36 HN THR 36 69.658 -1.882 -6.173 255 HA THR 36 HA THR 36 71.210 -4.415 -6.021 256 HB THR 36 HB THR 36 71.074 -2.589 -8.434 257 HG1 THR 36 HG1 THR 36 69.243 -3.571 -8.724 258 HG21 THR 36 HG21 THR 36 72.216 -5.361 -7.982 259 HG22 THR 36 HG22 THR 36 73.151 -3.882 -8.192 260 HG23 THR 36 HG23 THR 36 72.191 -4.514 -9.529 261 H TRP 37 HN TRP 37 73.161 -4.145 -5.208 262 HA TRP 37 HA TRP 37 74.371 -1.421 -5.133 263 HB2 TRP 37 HB2 TRP 37 73.633 -2.663 -2.941 264 HB3 TRP 37 HB1 TRP 37 75.069 -3.641 -3.207 265 HD1 TRP 37 HD1 TRP 37 77.092 -1.411 -4.194 266 HE1 TRP 37 HE1 TRP 37 77.932 0.361 -2.537 267 HE3 TRP 37 HE3 TRP 37 73.386 -1.644 -0.690 268 HZ2 TRP 37 HZ2 TRP 37 77.156 1.531 -0.050 269 HZ3 TRP 37 HZ3 TRP 37 73.460 -0.197 1.306 270 HH2 TRP 37 HH2 TRP 37 75.332 1.395 1.643 271 H LEU 38 HN LEU 38 76.188 -1.244 -6.357 272 HA LEU 38 HA LEU 38 77.973 -3.576 -6.598 273 HB2 LEU 38 HB2 LEU 38 76.910 -1.972 -8.938 274 HB3 LEU 38 HB1 LEU 38 78.261 -3.098 -9.033 275 HG LEU 38 HG LEU 38 75.482 -3.870 -8.081 276 HD11 LEU 38 HD11 LEU 38 75.037 -4.729 -10.258 277 HD12 LEU 38 HD12 LEU 38 76.717 -4.542 -10.768 278 HD13 LEU 38 HD13 LEU 38 75.694 -3.118 -10.542 279 HD21 LEU 38 HD21 LEU 38 76.520 -6.189 -8.815 280 HD22 LEU 38 HD22 LEU 38 76.944 -5.515 -7.248 281 HD23 LEU 38 HD23 LEU 38 78.060 -5.358 -8.603 282 H LEU 39 HN LEU 39 79.749 -2.828 -5.659 283 HA LEU 39 HA LEU 39 80.666 -0.073 -6.186 284 HB2 LEU 39 HB2 LEU 39 82.587 -1.205 -4.542 285 HB3 LEU 39 HB1 LEU 39 81.193 -0.347 -3.943 286 HG LEU 39 HG LEU 39 79.949 -2.498 -3.874 287 HD11 LEU 39 HD11 LEU 39 81.314 -3.733 -5.513 288 HD12 LEU 39 HD12 LEU 39 81.281 -4.595 -3.978 289 HD13 LEU 39 HD13 LEU 39 82.698 -3.653 -4.427 290 HD21 LEU 39 HD21 LEU 39 82.403 -1.991 -2.221 291 HD22 LEU 39 HD22 LEU 39 81.462 -3.455 -1.940 292 HD23 LEU 39 HD23 LEU 39 80.703 -1.874 -1.763 293 H ASP 40 HN ASP 40 83.136 -2.388 -5.641 294 HA ASP 40 HA ASP 40 84.148 -2.110 -8.286 295 HB2 ASP 40 HB2 ASP 40 85.501 -2.783 -6.201 296 HB3 ASP 40 HB1 ASP 40 84.734 -4.363 -6.309 297 H ASP 41 HN ASP 41 84.143 -4.141 -9.771 298 HA ASP 41 HA ASP 41 81.497 -4.883 -10.297 299 HB2 ASP 41 HB2 ASP 41 83.318 -4.783 -11.971 300 HB3 ASP 41 HB1 ASP 41 84.017 -6.235 -11.263 301 H GLU 42 HN GLU 42 81.762 -5.703 -7.638 302 HA GLU 42 HA GLU 42 81.299 -8.605 -7.938 303 HB2 GLU 42 HB2 GLU 42 83.187 -7.241 -6.028 304 HB3 GLU 42 HB1 GLU 42 82.356 -8.704 -5.494 305 HG2 GLU 42 HG2 GLU 42 83.340 -10.011 -7.234 306 HG3 GLU 42 HG1 GLU 42 83.878 -8.584 -8.113 307 HA PRO 43 HA PRO 43 77.547 -7.362 -5.826 308 HB2 PRO 43 HB2 PRO 43 77.148 -9.890 -4.448 309 HB3 PRO 43 HB1 PRO 43 76.312 -9.293 -5.889 310 HG2 PRO 43 HG2 PRO 43 78.296 -11.351 -5.728 311 HG3 PRO 43 HG1 PRO 43 77.425 -10.784 -7.156 312 HD2 PRO 43 HD2 PRO 43 80.203 -10.344 -6.513 313 HD3 PRO 43 HD1 PRO 43 79.302 -9.733 -7.912 314 H VAL 44 HN VAL 44 77.112 -6.482 -3.791 315 HA VAL 44 HA VAL 44 79.332 -6.544 -1.927 316 HB VAL 44 HB VAL 44 76.758 -5.040 -1.590 317 HG11 VAL 44 HG11 VAL 44 78.744 -5.221 0.146 318 HG12 VAL 44 HG12 VAL 44 77.994 -3.661 -0.177 319 HG13 VAL 44 HG13 VAL 44 79.525 -4.073 -0.934 320 HG21 VAL 44 HG21 VAL 44 77.330 -4.456 -3.785 321 HG22 VAL 44 HG22 VAL 44 79.050 -4.539 -3.462 322 HG23 VAL 44 HG23 VAL 44 78.094 -3.202 -2.819 323 H ARG 45 HN ARG 45 79.154 -8.650 -1.109 324 HA ARG 45 HA ARG 45 77.505 -8.768 1.260 325 HB2 ARG 45 HB2 ARG 45 77.242 -10.803 -0.958 326 HB3 ARG 45 HB1 ARG 45 76.822 -11.170 0.719 327 HG2 ARG 45 HG2 ARG 45 75.308 -9.153 0.706 328 HG3 ARG 45 HG1 ARG 45 75.637 -8.985 -1.019 329 HD2 ARG 45 HD2 ARG 45 74.724 -11.205 -1.430 330 HD3 ARG 45 HD1 ARG 45 74.455 -11.422 0.297 331 HE ARG 45 HE ARG 45 72.631 -9.960 0.179 332 HH11 ARG 45 HH11 ARG 45 72.185 -11.272 -2.519 333 HH12 ARG 45 HH12 ARG 45 71.952 -9.898 -3.545 334 HH21 ARG 45 HH21 ARG 45 73.277 -7.636 -1.275 335 HH22 ARG 45 HH22 ARG 45 72.566 -7.843 -2.841 336 H THR 46 HN THR 46 79.161 -11.322 -0.479 337 HA THR 46 HA THR 46 80.997 -12.598 0.102 338 HB THR 46 HB THR 46 82.986 -11.390 0.390 339 HG1 THR 46 HG1 THR 46 82.329 -8.986 1.132 340 HG21 THR 46 HG21 THR 46 82.762 -9.412 -1.043 341 HG22 THR 46 HG22 THR 46 81.014 -9.436 -0.820 342 HG23 THR 46 HG23 THR 46 81.813 -10.756 -1.675 343 H SER 47 HN SER 47 82.578 -11.191 2.615 344 HA SER 47 HA SER 47 80.893 -12.447 4.702 345 HB2 SER 47 HB2 SER 47 82.782 -13.932 3.775 346 HB3 SER 47 HB1 SER 47 83.872 -12.833 4.613 347 HG SER 47 HG SER 47 83.016 -14.757 5.792 348 H GLU 48 HN GLU 48 83.227 -12.133 6.573 349 HA GLU 48 HA GLU 48 82.483 -9.723 7.744 350 HB2 GLU 48 HB2 GLU 48 85.095 -11.233 7.994 351 HB3 GLU 48 HB1 GLU 48 84.642 -9.876 9.021 352 HG2 GLU 48 HG2 GLU 48 83.918 -11.684 10.311 353 HG3 GLU 48 HG1 GLU 48 82.443 -11.278 9.439 354 H ASN 49 HN ASN 49 85.229 -10.331 5.577 355 HA ASN 49 HA ASN 49 86.349 -7.749 5.690 356 HB2 ASN 49 HB2 ASN 49 87.514 -8.301 3.620 357 HB3 ASN 49 HB1 ASN 49 87.535 -9.676 4.717 358 HD21 ASN 49 HD21 ASN 49 87.941 -10.848 2.542 359 HD22 ASN 49 HD22 ASN 49 86.572 -11.335 1.665 360 H ALA 50 HN ALA 50 83.306 -8.375 4.755 361 HA ALA 50 HA ALA 50 82.681 -5.865 3.771 362 HB1 ALA 50 HB1 ALA 50 83.669 -7.749 1.665 363 HB2 ALA 50 HB2 ALA 50 83.825 -5.999 1.757 364 HB3 ALA 50 HB3 ALA 50 82.298 -6.718 1.261 365 H GLU 51 HN GLU 51 80.453 -5.686 3.690 366 HA GLU 51 HA GLU 51 78.684 -7.664 2.818 367 HB2 GLU 51 HB2 GLU 51 77.764 -8.338 5.105 368 HB3 GLU 51 HB1 GLU 51 79.287 -9.077 4.625 369 HG2 GLU 51 HG2 GLU 51 80.533 -7.436 5.938 370 HG3 GLU 51 HG1 GLU 51 79.031 -6.611 6.354 371 H VAL 52 HN VAL 52 76.478 -6.887 2.768 372 HA VAL 52 HA VAL 52 76.182 -4.145 3.727 373 HB VAL 52 HB VAL 52 74.347 -5.917 2.093 374 HG11 VAL 52 HG11 VAL 52 73.005 -4.208 3.018 375 HG12 VAL 52 HG12 VAL 52 73.453 -3.576 1.434 376 HG13 VAL 52 HG13 VAL 52 74.285 -3.003 2.880 377 HG21 VAL 52 HG21 VAL 52 75.280 -5.005 0.153 378 HG22 VAL 52 HG22 VAL 52 76.703 -5.219 1.161 379 HG23 VAL 52 HG23 VAL 52 75.976 -3.625 0.995 380 H VAL 53 HN VAL 53 74.640 -3.510 5.166 381 HA VAL 53 HA VAL 53 72.811 -5.454 6.362 382 HB VAL 53 HB VAL 53 73.506 -4.869 8.668 383 HG11 VAL 53 HG11 VAL 53 75.346 -6.387 8.736 384 HG12 VAL 53 HG12 VAL 53 75.854 -5.955 7.104 385 HG13 VAL 53 HG13 VAL 53 74.376 -6.887 7.350 386 HG21 VAL 53 HG21 VAL 53 75.735 -3.452 7.170 387 HG22 VAL 53 HG22 VAL 53 75.807 -3.822 8.895 388 HG23 VAL 53 HG23 VAL 53 74.570 -2.727 8.278 389 H PHE 54 HN PHE 54 71.093 -4.451 7.518 390 HA PHE 54 HA PHE 54 70.998 -1.507 7.373 391 HB2 PHE 54 HB2 PHE 54 68.730 -1.532 6.466 392 HB3 PHE 54 HB1 PHE 54 69.852 -2.290 5.346 393 HD1 PHE 54 HD2 PHE 54 67.119 -2.854 7.762 394 HD2 PHE 54 HD1 PHE 54 69.703 -4.658 4.844 395 HE1 PHE 54 HE2 PHE 54 65.685 -4.878 7.747 396 HE2 PHE 54 HE1 PHE 54 68.265 -6.679 4.821 397 HZ PHE 54 HZ PHE 54 66.249 -6.785 6.263 398 H PHE 55 HN PHE 55 68.720 -0.872 8.404 399 HA PHE 55 HA PHE 55 67.950 -2.494 10.661 400 HB2 PHE 55 HB2 PHE 55 69.368 0.150 11.138 401 HB3 PHE 55 HB1 PHE 55 68.631 -0.872 12.367 402 HD1 PHE 55 HD1 PHE 55 69.570 -3.169 12.800 403 HD2 PHE 55 HD2 PHE 55 71.559 -0.308 10.292 404 HE1 PHE 55 HE1 PHE 55 71.680 -4.448 13.014 405 HE2 PHE 55 HE2 PHE 55 73.672 -1.587 10.506 406 HZ PHE 55 HZ PHE 55 73.735 -3.662 11.863 407 H GLU 56 HN GLU 56 66.417 -1.006 12.082 408 HA GLU 56 HA GLU 56 64.460 0.190 12.154 409 HB2 GLU 56 HB2 GLU 56 65.977 1.845 10.133 410 HB3 GLU 56 HB1 GLU 56 64.441 2.324 10.843 411 HG2 GLU 56 HG2 GLU 56 65.420 2.219 13.082 412 HG3 GLU 56 HG1 GLU 56 66.953 1.681 12.395 413 H ASN 57 HN ASN 57 64.592 -2.063 10.407 414 HA ASN 57 HA ASN 57 63.259 -3.147 8.886 415 HB2 ASN 57 HB2 ASN 57 61.546 -0.656 8.883 416 HB3 ASN 57 HB1 ASN 57 61.071 -2.284 8.414 417 HD21 ASN 57 HD21 ASN 57 60.126 -0.421 10.688 418 HD22 ASN 57 HD22 ASN 57 60.227 -1.397 12.074 419 H GLY 58 HN GLY 58 65.494 -1.637 8.005 420 HA2 GLY 58 HA2 GLY 58 66.469 -1.354 5.910 421 HA3 GLY 58 HA1 GLY 58 64.889 -1.577 5.182 422 H LEU 59 HN LEU 59 65.136 0.893 7.625 423 HA LEU 59 HA LEU 59 64.656 2.933 5.583 424 HB2 LEU 59 HB2 LEU 59 64.752 3.063 8.601 425 HB3 LEU 59 HB1 LEU 59 64.428 4.449 7.568 426 HG LEU 59 HG LEU 59 62.785 1.899 7.578 427 HD11 LEU 59 HD11 LEU 59 62.367 4.579 8.920 428 HD12 LEU 59 HD12 LEU 59 62.540 3.015 9.711 429 HD13 LEU 59 HD13 LEU 59 61.103 3.363 8.752 430 HD21 LEU 59 HD21 LEU 59 61.131 3.659 6.497 431 HD22 LEU 59 HD22 LEU 59 62.360 2.897 5.494 432 HD23 LEU 59 HD23 LEU 59 62.614 4.530 6.109 433 H ARG 60 HN ARG 60 67.248 1.532 7.153 434 HA ARG 60 HA ARG 60 69.026 3.789 6.424 435 HB2 ARG 60 HB2 ARG 60 68.704 3.596 8.919 436 HB3 ARG 60 HB1 ARG 60 69.420 1.986 8.825 437 HG2 ARG 60 HG2 ARG 60 71.439 2.989 7.757 438 HG3 ARG 60 HG1 ARG 60 70.729 4.588 7.993 439 HD2 ARG 60 HD2 ARG 60 71.277 2.617 10.225 440 HD3 ARG 60 HD1 ARG 60 72.338 3.958 9.799 441 HE ARG 60 HE ARG 60 69.754 4.986 10.209 442 HH11 ARG 60 HH11 ARG 60 71.795 2.986 12.104 443 HH12 ARG 60 HH12 ARG 60 71.639 3.933 13.544 444 HH21 ARG 60 HH21 ARG 60 69.782 6.431 12.016 445 HH22 ARG 60 HH22 ARG 60 70.504 5.888 13.493 446 H HIS 61 HN HIS 61 70.736 3.224 5.260 447 HA HIS 61 HA HIS 61 71.271 0.331 4.803 448 HB2 HIS 61 HB2 HIS 61 71.192 2.676 2.910 449 HB3 HIS 61 HB1 HIS 61 72.210 1.289 2.545 450 HD1 HIS 61 HD1 HIS 61 68.595 2.214 3.113 451 HD2 HIS 61 HD2 HIS 61 70.824 -0.994 1.663 452 HE1 HIS 61 HE1 HIS 61 66.939 0.592 2.098 453 H LEU 62 HN LEU 62 73.006 -0.058 6.083 454 HA LEU 62 HA LEU 62 75.323 1.782 5.903 455 HB2 LEU 62 HB2 LEU 62 74.095 1.383 8.139 456 HB3 LEU 62 HB1 LEU 62 74.783 -0.230 8.088 457 HG LEU 62 HG LEU 62 76.608 2.147 7.726 458 HD11 LEU 62 HD11 LEU 62 75.415 1.148 10.317 459 HD12 LEU 62 HD12 LEU 62 75.442 2.798 9.701 460 HD13 LEU 62 HD13 LEU 62 76.935 2.044 10.257 461 HD21 LEU 62 HD21 LEU 62 77.681 0.020 7.424 462 HD22 LEU 62 HD22 LEU 62 76.891 -0.661 8.849 463 HD23 LEU 62 HD23 LEU 62 78.136 0.572 9.035 464 H LEU 63 HN LEU 63 77.056 0.993 4.870 465 HA LEU 63 HA LEU 63 77.355 -1.951 4.576 466 HB2 LEU 63 HB2 LEU 63 76.952 -1.055 2.406 467 HB3 LEU 63 HB1 LEU 63 78.018 0.315 2.691 468 HG LEU 63 HG LEU 63 79.976 -1.187 2.716 469 HD11 LEU 63 HD11 LEU 63 79.059 -3.202 3.631 470 HD12 LEU 63 HD12 LEU 63 79.583 -3.587 1.996 471 HD13 LEU 63 HD13 LEU 63 77.874 -3.328 2.334 472 HD21 LEU 63 HD21 LEU 63 79.488 -0.331 0.571 473 HD22 LEU 63 HD22 LEU 63 78.097 -1.396 0.373 474 HD23 LEU 63 HD23 LEU 63 79.731 -2.060 0.330 475 H LEU 64 HN LEU 64 78.998 -2.738 5.807 476 HA LEU 64 HA LEU 64 81.218 -0.963 6.531 477 HB2 LEU 64 HB2 LEU 64 79.959 -2.022 8.334 478 HB3 LEU 64 HB1 LEU 64 80.227 -3.613 7.618 479 HG LEU 64 HG LEU 64 82.666 -3.355 7.980 480 HD11 LEU 64 HD11 LEU 64 83.122 -1.054 7.846 481 HD12 LEU 64 HD12 LEU 64 83.314 -1.395 9.563 482 HD13 LEU 64 HD13 LEU 64 81.831 -0.634 8.975 483 HD21 LEU 64 HD21 LEU 64 80.886 -2.893 10.383 484 HD22 LEU 64 HD22 LEU 64 82.594 -3.319 10.508 485 HD23 LEU 64 HD23 LEU 64 81.458 -4.437 9.747 486 H LEU 65 HN LEU 65 83.242 -1.303 5.878 487 HA LEU 65 HA LEU 65 83.938 -3.817 4.448 488 HB2 LEU 65 HB2 LEU 65 85.210 -1.080 4.157 489 HB3 LEU 65 HB1 LEU 65 85.667 -2.532 3.274 490 HG LEU 65 HG LEU 65 82.937 -1.205 3.164 491 HD11 LEU 65 HD11 LEU 65 83.536 -0.324 1.060 492 HD12 LEU 65 HD12 LEU 65 84.930 -1.393 0.908 493 HD13 LEU 65 HD13 LEU 65 84.970 -0.047 2.045 494 HD21 LEU 65 HD21 LEU 65 82.488 -3.452 2.665 495 HD22 LEU 65 HD22 LEU 65 84.087 -3.714 1.964 496 HD23 LEU 65 HD23 LEU 65 82.867 -2.816 1.065 497 H LYS 66 HN LYS 66 86.554 -4.055 4.664 498 HA LYS 66 HA LYS 66 87.605 -3.204 7.201 499 HB2 LYS 66 HB2 LYS 66 86.191 -5.761 7.023 500 HB3 LYS 66 HB1 LYS 66 87.867 -6.012 7.490 501 HG2 LYS 66 HG2 LYS 66 87.630 -4.501 9.380 502 HG3 LYS 66 HG1 LYS 66 86.010 -4.043 8.863 503 HD2 LYS 66 HD2 LYS 66 85.734 -5.653 10.622 504 HD3 LYS 66 HD1 LYS 66 85.346 -6.475 9.113 505 HE2 LYS 66 HE2 LYS 66 87.406 -7.651 9.101 506 HE3 LYS 66 HE1 LYS 66 88.120 -6.580 10.309 507 HZ1 LYS 66 HZ1 LYS 66 86.700 -8.944 10.727 508 HZ2 LYS 66 HZ2 LYS 66 85.766 -7.673 11.356 509 HZ3 LYS 66 HZ3 LYS 66 87.363 -7.904 11.889 510 H ASN 67 HN ASN 67 89.793 -4.436 7.574 511 HA ASN 67 HA ASN 67 91.981 -4.405 6.692 512 HB2 ASN 67 HB2 ASN 67 90.545 -6.674 5.296 513 HB3 ASN 67 HB1 ASN 67 92.292 -6.454 5.236 514 HD21 ASN 67 HD21 ASN 67 91.154 -8.775 6.479 515 HD22 ASN 67 HD22 ASN 67 91.445 -8.686 8.147 516 H LEU 68 HN LEU 68 90.617 -2.353 5.459 517 HA LEU 68 HA LEU 68 90.507 -2.542 2.652 518 HB2 LEU 68 HB2 LEU 68 90.706 -0.197 4.532 519 HB3 LEU 68 HB1 LEU 68 90.516 -0.010 2.794 520 HG LEU 68 HG LEU 68 88.653 -1.709 4.468 521 HD11 LEU 68 HD11 LEU 68 88.716 0.794 5.104 522 HD12 LEU 68 HD12 LEU 68 87.162 0.080 4.704 523 HD13 LEU 68 HD13 LEU 68 87.998 1.076 3.518 524 HD21 LEU 68 HD21 LEU 68 88.245 -2.348 2.275 525 HD22 LEU 68 HD22 LEU 68 88.738 -0.796 1.609 526 HD23 LEU 68 HD23 LEU 68 87.161 -0.965 2.368 527 H ARG 69 HN ARG 69 92.132 -3.023 1.410 528 HA ARG 69 HA ARG 69 94.836 -1.966 1.871 529 HB2 ARG 69 HB2 ARG 69 93.621 -4.026 0.017 530 HB3 ARG 69 HB1 ARG 69 95.241 -3.412 -0.276 531 HG2 ARG 69 HG2 ARG 69 95.890 -4.100 2.017 532 HG3 ARG 69 HG1 ARG 69 94.277 -4.762 2.255 533 HD2 ARG 69 HD2 ARG 69 94.647 -6.276 0.311 534 HD3 ARG 69 HD1 ARG 69 96.291 -5.658 0.183 535 HE ARG 69 HE ARG 69 96.871 -6.997 1.975 536 HH11 ARG 69 HH21 ARG 69 93.433 -6.521 1.890 537 HH12 ARG 69 HH22 ARG 69 93.111 -7.658 3.158 538 HH21 ARG 69 HH11 ARG 69 96.448 -8.430 3.683 539 HH22 ARG 69 HH12 ARG 69 94.818 -8.703 4.197 540 HA PRO 70 HA PRO 70 94.422 1.371 -1.017 541 HB2 PRO 70 HB2 PRO 70 96.516 0.577 -2.856 542 HB3 PRO 70 HB1 PRO 70 96.597 1.812 -1.587 543 HG2 PRO 70 HG2 PRO 70 97.631 -0.933 -1.573 544 HG3 PRO 70 HG1 PRO 70 98.057 0.432 -0.535 545 HD2 PRO 70 HD2 PRO 70 96.609 -1.746 0.331 546 HD3 PRO 70 HD1 PRO 70 96.503 -0.142 1.077 547 H GLN 71 HN GLN 71 94.882 -1.884 -2.124 548 HA GLN 71 HA GLN 71 93.981 -1.827 -4.741 549 HB2 GLN 71 HB2 GLN 71 94.909 -3.818 -3.587 550 HB3 GLN 71 HB1 GLN 71 93.430 -3.942 -2.643 551 HG2 GLN 71 HG2 GLN 71 92.105 -4.325 -4.646 552 HG3 GLN 71 HG1 GLN 71 93.512 -4.033 -5.669 553 HE21 GLN 71 HE21 GLN 71 92.945 -6.342 -6.439 554 HE22 GLN 71 HE22 GLN 71 93.602 -7.633 -5.555 555 H ASP 72 HN ASP 72 92.011 -2.403 -1.785 556 HA ASP 72 HA ASP 72 89.560 -2.702 -2.857 557 HB2 ASP 72 HB2 ASP 72 90.527 -1.408 -0.323 558 HB3 ASP 72 HB1 ASP 72 88.805 -1.412 -0.690 559 H SER 73 HN SER 73 91.175 0.512 -2.339 560 HA SER 73 HA SER 73 89.200 2.275 -2.690 561 HB2 SER 73 HB2 SER 73 91.715 2.440 -4.347 562 HB3 SER 73 HB1 SER 73 90.802 3.757 -3.616 563 HG SER 73 HG SER 73 91.408 2.121 -1.667 564 H CYS 74 HN CYS 74 87.494 2.263 -3.972 565 HA CYS 74 HA CYS 74 87.807 2.207 -6.851 566 HB2 CYS 74 HB2 CYS 74 86.616 -0.109 -5.352 567 HB3 CYS 74 HB1 CYS 74 86.032 0.289 -6.967 568 HG CYS 74 HG CYS 74 89.073 0.087 -6.868 569 H ARG 75 HN ARG 75 85.300 1.787 -7.665 570 HA ARG 75 HA ARG 75 83.885 4.169 -6.812 571 HB2 ARG 75 HB2 ARG 75 84.058 3.346 -9.207 572 HB3 ARG 75 HB1 ARG 75 82.979 2.026 -8.748 573 HG2 ARG 75 HG2 ARG 75 81.329 3.744 -7.954 574 HG3 ARG 75 HG1 ARG 75 82.375 4.992 -8.618 575 HD2 ARG 75 HD2 ARG 75 80.780 4.554 -10.309 576 HD3 ARG 75 HD1 ARG 75 82.238 3.700 -10.820 577 HE ARG 75 HE ARG 75 80.652 1.945 -9.287 578 HH11 ARG 75 HH11 ARG 75 80.620 3.667 -12.288 579 HH12 ARG 75 HH12 ARG 75 79.685 2.470 -13.122 580 HH21 ARG 75 HH21 ARG 75 79.444 0.367 -10.384 581 HH22 ARG 75 HH22 ARG 75 79.021 0.602 -12.045 582 H VAL 76 HN VAL 76 81.974 4.273 -5.643 583 HA VAL 76 HA VAL 76 80.770 1.713 -4.749 584 HB VAL 76 HB VAL 76 80.967 4.332 -3.259 585 HG11 VAL 76 HG11 VAL 76 80.055 2.774 -1.385 586 HG12 VAL 76 HG12 VAL 76 79.553 1.717 -2.703 587 HG13 VAL 76 HG13 VAL 76 78.916 3.359 -2.597 588 HG21 VAL 76 HG21 VAL 76 83.095 3.243 -3.234 589 HG22 VAL 76 HG22 VAL 76 82.365 1.657 -2.989 590 HG23 VAL 76 HG23 VAL 76 82.336 2.853 -1.691 591 H THR 77 HN THR 77 78.685 1.421 -5.390 592 HA THR 77 HA THR 77 77.008 3.817 -5.821 593 HB THR 77 HB THR 77 76.159 2.923 -7.931 594 HG1 THR 77 HG1 THR 77 77.501 1.153 -8.812 595 HG21 THR 77 HG21 THR 77 78.153 3.317 -9.292 596 HG22 THR 77 HG22 THR 77 79.179 3.019 -7.894 597 HG23 THR 77 HG23 THR 77 78.139 4.434 -7.929 598 H PHE 78 HN PHE 78 74.921 3.613 -5.281 599 HA PHE 78 HA PHE 78 73.851 0.968 -4.500 600 HB2 PHE 78 HB2 PHE 78 74.534 2.169 -2.471 601 HB3 PHE 78 HB1 PHE 78 73.620 3.583 -2.979 602 HD1 PHE 78 HD1 PHE 78 72.950 -0.123 -2.688 603 HD2 PHE 78 HD2 PHE 78 71.620 3.874 -1.811 604 HE1 PHE 78 HE1 PHE 78 70.961 -1.032 -1.522 605 HE2 PHE 78 HE2 PHE 78 69.633 2.956 -0.659 606 HZ PHE 78 HZ PHE 78 69.303 0.505 -0.512 607 H LEU 79 HN LEU 79 72.055 0.556 -5.639 608 HA LEU 79 HA LEU 79 70.657 2.799 -6.932 609 HB2 LEU 79 HB2 LEU 79 71.631 0.898 -8.292 610 HB3 LEU 79 HB1 LEU 79 70.388 -0.125 -7.584 611 HG LEU 79 HG LEU 79 68.674 1.572 -8.419 612 HD11 LEU 79 HD11 LEU 79 69.877 3.531 -8.903 613 HD12 LEU 79 HD12 LEU 79 69.610 2.843 -10.498 614 HD13 LEU 79 HD13 LEU 79 71.173 2.651 -9.707 615 HD21 LEU 79 HD21 LEU 79 70.381 -0.155 -10.206 616 HD22 LEU 79 HD22 LEU 79 69.045 0.772 -10.888 617 HD23 LEU 79 HD23 LEU 79 68.733 -0.426 -9.636 618 H ALA 80 HN ALA 80 69.316 3.422 -5.222 619 HA ALA 80 HA ALA 80 67.242 1.509 -4.361 620 HB1 ALA 80 HB1 ALA 80 67.985 4.285 -3.401 621 HB2 ALA 80 HB2 ALA 80 68.291 2.761 -2.571 622 HB3 ALA 80 HB3 ALA 80 66.638 3.342 -2.762 623 H GLY 81 HN GLY 81 66.291 1.518 -6.506 624 HA2 GLY 81 HA2 GLY 81 64.773 2.211 -8.094 625 HA3 GLY 81 HA1 GLY 81 63.983 3.021 -6.742 626 H ASP 82 HN ASP 82 63.364 4.754 -8.173 627 HA ASP 82 HA ASP 82 64.825 6.231 -9.892 628 HB2 ASP 82 HB2 ASP 82 62.431 6.657 -9.160 629 HB3 ASP 82 HB1 ASP 82 63.095 7.569 -7.803 630 H MET 83 HN MET 83 65.306 6.148 -6.434 631 HA MET 83 HA MET 83 67.069 8.485 -6.515 632 HB2 MET 83 HB2 MET 83 66.790 6.651 -4.145 633 HB3 MET 83 HB1 MET 83 67.182 8.364 -4.189 634 HG2 MET 83 HG2 MET 83 64.986 8.765 -3.748 635 HG3 MET 83 HG1 MET 83 64.645 8.245 -5.396 636 HE1 MET 83 HE1 MET 83 65.776 6.795 -2.042 637 HE2 MET 83 HE2 MET 83 64.450 5.743 -1.553 638 HE3 MET 83 HE3 MET 83 64.203 7.483 -1.617 639 H VAL 84 HN VAL 84 69.165 8.412 -6.883 640 HA VAL 84 HA VAL 84 70.640 5.872 -6.463 641 HB VAL 84 HB VAL 84 70.391 6.024 -8.822 642 HG11 VAL 84 HG11 VAL 84 71.114 8.958 -8.560 643 HG12 VAL 84 HG12 VAL 84 69.507 8.319 -8.889 644 HG13 VAL 84 HG13 VAL 84 70.794 8.120 -10.074 645 HG21 VAL 84 HG21 VAL 84 73.019 7.464 -8.354 646 HG22 VAL 84 HG22 VAL 84 72.651 6.241 -9.567 647 HG23 VAL 84 HG23 VAL 84 72.784 5.785 -7.871 648 H THR 85 HN THR 85 72.305 6.097 -5.158 649 HA THR 85 HA THR 85 73.569 8.763 -4.833 650 HB THR 85 HB THR 85 73.543 8.583 -2.517 651 HG1 THR 85 HG1 THR 85 73.120 6.276 -1.694 652 HG21 THR 85 HG21 THR 85 71.388 7.718 -1.761 653 HG22 THR 85 HG22 THR 85 71.218 6.771 -3.233 654 HG23 THR 85 HG23 THR 85 71.175 8.535 -3.310 655 H SER 86 HN SER 86 75.727 8.749 -5.159 656 HA SER 86 HA SER 86 77.255 6.266 -4.823 657 HB2 SER 86 HB2 SER 86 76.918 7.708 -7.457 658 HB3 SER 86 HB1 SER 86 78.260 6.615 -7.133 659 HG SER 86 HG SER 86 75.651 5.775 -6.564 660 H ALA 87 HN ALA 87 79.370 6.594 -4.331 661 HA ALA 87 HA ALA 87 80.582 9.242 -4.676 662 HB1 ALA 87 HB1 ALA 87 81.054 9.565 -2.370 663 HB2 ALA 87 HB2 ALA 87 80.490 7.952 -1.945 664 HB3 ALA 87 HB3 ALA 87 79.338 9.185 -2.454 665 H PHE 88 HN PHE 88 82.898 9.224 -4.236 666 HA PHE 88 HA PHE 88 84.101 6.725 -5.071 667 HB2 PHE 88 HB2 PHE 88 84.700 8.955 -6.025 668 HB3 PHE 88 HB1 PHE 88 85.410 9.389 -4.475 669 HD1 PHE 88 HD1 PHE 88 85.498 6.536 -6.929 670 HD2 PHE 88 HD2 PHE 88 87.712 9.073 -4.262 671 HE1 PHE 88 HE1 PHE 88 87.608 5.430 -7.627 672 HE2 PHE 88 HE2 PHE 88 89.808 7.973 -4.954 673 HZ PHE 88 HZ PHE 88 89.764 6.151 -6.642 674 H LEU 89 HN LEU 89 86.298 6.188 -4.029 675 HA LEU 89 HA LEU 89 86.257 6.473 -1.086 676 HB2 LEU 89 HB2 LEU 89 85.212 4.234 -1.965 677 HB3 LEU 89 HB1 LEU 89 86.874 3.792 -2.337 678 HG LEU 89 HG LEU 89 85.992 4.746 0.405 679 HD11 LEU 89 HD11 LEU 89 85.894 2.448 1.118 680 HD12 LEU 89 HD12 LEU 89 86.381 1.888 -0.482 681 HD13 LEU 89 HD13 LEU 89 84.808 2.654 -0.261 682 HD21 LEU 89 HD21 LEU 89 88.191 3.091 0.720 683 HD22 LEU 89 HD22 LEU 89 88.239 4.844 0.692 684 HD23 LEU 89 HD23 LEU 89 88.566 3.934 -0.780 685 H THR 90 HN THR 90 88.317 6.424 -0.155 686 HA THR 90 HA THR 90 90.648 6.164 -1.962 687 HB THR 90 HB THR 90 91.614 8.182 -0.762 688 HG1 THR 90 HG1 THR 90 89.466 7.868 0.655 689 HG21 THR 90 HG21 THR 90 90.139 9.809 -2.085 690 HG22 THR 90 HG22 THR 90 89.206 8.392 -2.571 691 HG23 THR 90 HG23 THR 90 90.912 8.517 -3.001 692 H VAL 91 HN VAL 91 92.180 4.871 -1.080 693 HA VAL 91 HA VAL 91 92.449 4.806 1.869 694 HB VAL 91 HB VAL 91 92.669 2.332 0.163 695 HG11 VAL 91 HG11 VAL 91 92.783 1.167 2.228 696 HG12 VAL 91 HG12 VAL 91 92.204 2.560 3.138 697 HG13 VAL 91 HG13 VAL 91 93.829 2.568 2.453 698 HG21 VAL 91 HG21 VAL 91 90.306 3.522 1.610 699 HG22 VAL 91 HG22 VAL 91 90.437 1.782 1.352 700 HG23 VAL 91 HG23 VAL 91 90.398 2.870 -0.023 701 H ARG 92 HN ARG 92 94.419 5.502 2.347 702 HA ARG 92 HA ARG 92 96.651 4.856 0.497 703 HB2 ARG 92 HB2 ARG 92 96.351 7.153 2.448 704 HB3 ARG 92 HB1 ARG 92 97.795 6.811 1.503 705 HG2 ARG 92 HG2 ARG 92 96.787 8.344 0.089 706 HG3 ARG 92 HG1 ARG 92 96.059 6.868 -0.536 707 HD2 ARG 92 HD2 ARG 92 94.078 7.235 0.871 708 HD3 ARG 92 HD1 ARG 92 94.813 8.679 1.555 709 HE ARG 92 HE ARG 92 93.615 8.425 -1.085 710 HH11 ARG 92 HH11 ARG 92 93.279 10.768 0.837 711 HH12 ARG 92 HH12 ARG 92 94.204 11.999 0.045 712 HH21 ARG 92 HH21 ARG 92 95.866 9.780 -2.043 713 HH22 ARG 92 HH22 ARG 92 95.681 11.438 -1.579 714 H GLY 93 HN GLY 93 98.654 4.333 1.368 715 HA2 GLY 93 HA2 GLY 93 98.629 3.350 4.168 716 HA3 GLY 93 HA1 GLY 93 99.319 2.419 2.842 717 H GLY 94 HN GLY 94 99.761 5.765 2.447 718 HA2 GLY 94 HA2 GLY 94 102.616 5.487 2.819 719 HA3 GLY 94 HA1 GLY 94 101.776 6.923 2.251 720 H LEU 95 HN LEU 95 103.845 7.251 3.994 721 HA LEU 95 HA LEU 95 102.865 7.404 6.734 722 HB2 LEU 95 HB2 LEU 95 105.481 8.435 5.608 723 HB3 LEU 95 HB1 LEU 95 105.092 8.147 7.303 724 HG LEU 95 HG LEU 95 105.224 6.020 5.140 725 HD11 LEU 95 HD11 LEU 95 107.203 5.250 6.521 726 HD12 LEU 95 HD12 LEU 95 107.104 6.781 7.391 727 HD13 LEU 95 HD13 LEU 95 107.453 6.769 5.660 728 HD21 LEU 95 HD21 LEU 95 105.177 4.506 7.227 729 HD22 LEU 95 HD22 LEU 95 103.652 5.259 6.768 730 HD23 LEU 95 HD23 LEU 95 104.599 5.924 8.101 731 H GLU 96 HN GLU 96 104.357 9.811 7.417 732 HA GLU 96 HA GLU 96 102.248 11.725 6.922 733 HB2 GLU 96 HB2 GLU 96 104.911 12.084 8.327 734 HB3 GLU 96 HB1 GLU 96 103.586 13.244 8.331 735 HG2 GLU 96 HG2 GLU 96 103.216 12.089 10.331 736 HG3 GLU 96 HG1 GLU 96 102.151 11.241 9.215 737 H HIS 97 HN HIS 97 102.125 13.117 5.314 738 HA HIS 97 HA HIS 97 104.249 13.312 3.382 739 HB2 HIS 97 HB2 HIS 97 101.567 14.684 3.613 740 HB3 HIS 97 HB1 HIS 97 102.673 14.905 2.256 741 HD1 HIS 97 HD1 HIS 97 103.410 12.541 1.051 742 HD2 HIS 97 HD2 HIS 97 99.926 12.475 3.332 743 HE1 HIS 97 HE1 HIS 97 102.109 10.492 0.311 744 H HIS 98 HN HIS 98 102.766 15.549 5.725 745 HA HIS 98 HA HIS 98 105.252 17.091 5.789 746 HB2 HIS 98 HB2 HIS 98 103.958 18.194 4.015 747 HB3 HIS 98 HB1 HIS 98 102.586 18.356 5.113 748 HD1 HIS 98 HD1 HIS 98 106.254 19.415 4.931 749 HD2 HIS 98 HD2 HIS 98 102.655 20.660 6.634 750 HE1 HIS 98 HE1 HIS 98 106.706 21.660 6.006 751 H HIS 99 HN HIS 99 102.726 15.632 7.337 752 HA HIS 99 HA HIS 99 102.406 17.525 9.511 753 HB2 HIS 99 HB2 HIS 99 101.471 14.667 9.179 754 HB3 HIS 99 HB1 HIS 99 101.098 15.670 10.580 755 HD1 HIS 99 HD1 HIS 99 99.749 17.974 9.995 756 HD2 HIS 99 HD2 HIS 99 99.730 15.020 7.048 757 HE1 HIS 99 HE1 HIS 99 97.855 18.548 8.411 758 H HIS 100 HN HIS 100 104.022 17.809 10.908 759 HA HIS 100 HA HIS 100 105.488 15.425 11.903 760 HB2 HIS 100 HB2 HIS 100 106.517 18.185 11.219 761 HB3 HIS 100 HB1 HIS 100 107.370 17.135 12.350 762 HD1 HIS 100 HD1 HIS 100 106.491 17.488 8.725 763 HD2 HIS 100 HD2 HIS 100 108.565 14.814 11.160 764 HE1 HIS 100 HE1 HIS 100 107.682 15.882 7.174 765 H HIS 101 HN HIS 101 105.722 15.256 14.069 766 HA HIS 101 HA HIS 101 105.026 17.463 15.839 767 HB2 HIS 101 HB2 HIS 101 103.326 16.108 17.057 768 HB3 HIS 101 HB1 HIS 101 102.820 16.528 15.421 769 HD1 HIS 101 HD1 HIS 101 103.264 14.577 13.567 770 HD2 HIS 101 HD2 HIS 101 103.335 13.379 17.557 771 HE1 HIS 101 HE1 HIS 101 102.983 12.062 13.567 772 H HIS 102 HN HIS 102 105.595 17.035 18.049 773 HA HIS 102 HA HIS 102 107.984 15.509 18.302 774 HB2 HIS 102 HB2 HIS 102 107.867 16.122 20.681 775 HB3 HIS 102 HB1 HIS 102 107.525 17.525 19.662 776 HD1 HIS 102 HD1 HIS 102 105.152 18.497 19.718 777 HD2 HIS 102 HD2 HIS 102 105.553 15.030 21.988 778 HE1 HIS 102 HE1 HIS 102 102.991 18.240 21.000
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