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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
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8926 |
1n4i ![]() ![]() |
5573 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ASP 1 HT1 ASP 1 46.094 8.214 3.447 2 2H ASP 1 HT2 ASP 1 47.609 7.924 4.159 3 3H ASP 1 HT3 ASP 1 47.024 6.886 2.948 4 HA ASP 1 HA ASP 1 47.762 9.746 2.562 5 1HB ASP 1 HB2 ASP 1 49.132 7.119 2.413 6 2HB ASP 1 HB1 ASP 1 49.427 8.203 1.053 7 H GLY 2 HN GLY 2 47.590 6.758 0.609 8 1HA GLY 2 HA2 GLY 2 45.959 6.310 -1.121 9 2HA GLY 2 HA1 GLY 2 45.497 8.012 -1.086 10 H SER 3 HN SER 3 45.784 7.859 -3.477 11 HA SER 3 HA SER 3 47.064 8.149 -5.450 12 1HB SER 3 HB2 SER 3 47.655 10.010 -3.467 13 2HB SER 3 HB1 SER 3 49.244 9.471 -4.006 14 HG SER 3 HG SER 3 48.131 9.757 -6.207 15 H CYS 4 HN CYS 4 49.893 8.335 -5.718 16 HA CYS 4 HA CYS 4 51.823 6.976 -5.875 17 1HB CYS 4 HB2 CYS 4 50.648 6.619 -3.285 18 2HB CYS 4 HB1 CYS 4 51.249 5.056 -3.837 19 H THR 5 HN THR 5 52.328 5.119 -7.072 20 HA THR 5 HA THR 5 50.592 2.787 -7.179 21 HB THR 5 HB THR 5 50.676 4.689 -9.547 22 HG1 THR 5 HG1 THR 5 48.324 3.979 -8.246 23 1HG2 THR 5 HG21 THR 5 49.926 2.966 -10.781 24 2HG2 THR 5 HG22 THR 5 48.635 2.651 -9.621 25 3HG2 THR 5 HG23 THR 5 50.217 1.901 -9.402 26 H ASN 6 HN ASN 6 52.756 1.932 -6.735 27 HA ASN 6 HA ASN 6 55.026 2.290 -8.421 28 1HB ASN 6 HB2 ASN 6 55.704 0.137 -7.268 29 2HB ASN 6 HB1 ASN 6 55.115 1.396 -6.178 30 1HD2 ASN 6 HD2 ASN 6 54.249 -0.014 -4.555 31 2HD2 ASN 6 HD2 ASN 6 52.935 -1.048 -4.847 32 H THR 7 HN THR 7 53.670 2.209 -10.515 33 HA THR 7 HA THR 7 53.365 1.097 -12.579 34 HB THR 7 HB THR 7 54.364 -1.388 -11.177 35 HG1 THR 7 HG1 THR 7 55.833 0.827 -12.164 36 1HG2 THR 7 HG21 THR 7 53.589 -1.632 -13.487 37 2HG2 THR 7 HG22 THR 7 55.341 -1.814 -13.412 38 3HG2 THR 7 HG23 THR 7 54.635 -0.305 -13.993 39 H ASN 8 HN ASN 8 51.735 0.542 -9.777 40 HA ASN 8 HA ASN 8 49.328 -0.388 -10.981 41 1HB ASN 8 HB2 ASN 8 50.621 -2.435 -11.380 42 2HB ASN 8 HB1 ASN 8 51.080 -2.492 -9.680 43 1HD2 ASN 8 HD2 ASN 8 47.834 -1.501 -10.616 44 2HD2 ASN 8 HD2 ASN 8 47.048 -2.896 -10.057 45 H SER 9 HN SER 9 51.400 -0.303 -8.136 46 HA SER 9 HA SER 9 50.912 0.460 -5.950 47 1HB SER 9 HB2 SER 9 49.063 1.666 -7.566 48 2HB SER 9 HB1 SER 9 48.019 0.757 -6.477 49 HG SER 9 HG SER 9 48.381 2.462 -5.261 50 H GLN 10 HN GLN 10 51.057 -1.255 -4.589 51 HA GLN 10 HA GLN 10 48.634 -2.968 -4.257 52 1HB GLN 10 HB2 GLN 10 50.888 -3.756 -5.634 53 2HB GLN 10 HB1 GLN 10 51.229 -4.340 -4.002 54 1HG GLN 10 HG2 GLN 10 49.064 -5.478 -3.931 55 2HG GLN 10 HG1 GLN 10 48.682 -4.872 -5.545 56 1HE2 GLN 10 HE21 GLN 10 50.655 -5.409 -7.185 57 2HE2 GLN 10 HE22 GLN 10 51.207 -7.011 -7.108 58 H LEU 11 HN LEU 11 49.771 -0.723 -2.704 59 HA LEU 11 HA LEU 11 51.321 -1.384 -0.486 60 1HB LEU 11 HB2 LEU 11 48.937 0.396 -0.951 61 2HB LEU 11 HB1 LEU 11 49.647 0.292 0.660 62 HG LEU 11 HG LEU 11 50.725 2.132 -0.416 63 1HD1 LEU 11 HD1 LEU 11 52.825 0.155 -1.063 64 2HD1 LEU 11 HD1 LEU 11 52.139 0.020 0.555 65 3HD1 LEU 11 HD1 LEU 11 52.875 1.535 0.033 66 1HD2 LEU 11 HD2 LEU 11 51.361 0.291 -2.739 67 2HD2 LEU 11 HD2 LEU 11 51.671 2.025 -2.640 68 3HD2 LEU 11 HD2 LEU 11 50.014 1.430 -2.733 69 H SER 12 HN SER 12 51.104 -3.166 0.768 70 HA SER 12 HA SER 12 49.176 -5.024 1.118 71 1HB SER 12 HB2 SER 12 50.086 -5.379 3.316 72 2HB SER 12 HB1 SER 12 51.386 -4.707 2.336 73 HG SER 12 HG SER 12 51.144 -2.779 3.326 74 H ALA 13 HN ALA 13 49.189 -2.285 3.446 75 HA ALA 13 HA ALA 13 46.440 -1.566 3.063 76 1HB ALA 13 HB1 ALA 13 45.690 -2.732 5.264 77 2HB ALA 13 HB2 ALA 13 47.112 -3.747 5.032 78 3HB ALA 13 HB3 ALA 13 45.838 -3.721 3.813 79 H ASN 14 HN ASN 14 49.152 -1.856 5.331 80 HA ASN 14 HA ASN 14 48.261 0.699 6.628 81 1HB ASN 14 HB2 ASN 14 49.822 -0.181 8.467 82 2HB ASN 14 HB1 ASN 14 48.342 -1.101 8.197 83 1HD2 ASN 14 HD2 ASN 14 49.546 -3.008 9.110 84 2HD2 ASN 14 HD2 ASN 14 50.617 -3.865 8.112 85 H SER 15 HN SER 15 50.107 -0.039 4.156 86 HA SER 15 HA SER 15 52.759 0.863 4.839 87 1HB SER 15 HB2 SER 15 52.428 -0.413 2.855 88 2HB SER 15 HB1 SER 15 51.118 0.630 2.311 89 HG SER 15 HG SER 15 52.551 2.164 1.763 90 H LYS 16 HN LYS 16 53.453 2.898 3.223 91 HA LYS 16 HA LYS 16 51.564 5.159 3.676 92 1HB LYS 16 HB2 LYS 16 53.644 4.537 5.399 93 2HB LYS 16 HB1 LYS 16 54.365 5.750 4.341 94 1HG LYS 16 HG2 LYS 16 51.805 6.736 4.888 95 2HG LYS 16 HG1 LYS 16 52.370 6.091 6.430 96 1HD LYS 16 HD2 LYS 16 54.458 7.389 6.213 97 2HD LYS 16 HD1 LYS 16 53.897 8.034 4.670 98 1HE LYS 16 HE2 LYS 16 53.400 9.691 6.377 99 2HE LYS 16 HE1 LYS 16 51.860 8.935 5.918 100 1HZ LYS 16 HZ1 LYS 16 52.463 9.058 8.404 101 2HZ LYS 16 HZ2 LYS 16 53.522 7.776 8.062 102 3HZ LYS 16 HZ3 LYS 16 51.854 7.598 7.791 103 H CYS 17 HN CYS 17 51.758 6.749 2.078 104 HA CYS 17 HA CYS 17 54.109 6.758 0.279 105 1HB CYS 17 HB2 CYS 17 51.936 5.141 -0.258 106 2HB CYS 17 HB1 CYS 17 51.551 6.600 -1.169 107 H GLU 18 HN GLU 18 54.528 8.886 -0.170 108 HA GLU 18 HA GLU 18 52.226 10.812 -0.132 109 1HB GLU 18 HB2 GLU 18 54.818 10.696 1.287 110 2HB GLU 18 HB1 GLU 18 54.422 12.274 0.605 111 1HG GLU 18 HG2 GLU 18 52.273 10.815 2.081 112 2HG GLU 18 HG1 GLU 18 53.562 11.561 3.027 113 H LYS 19 HN LYS 19 55.625 10.446 -1.237 114 HA LYS 19 HA LYS 19 54.891 11.314 -3.946 115 1HB LYS 19 HB2 LYS 19 56.255 13.363 -3.836 116 2HB LYS 19 HB1 LYS 19 54.983 13.413 -2.617 117 1HG LYS 19 HG2 LYS 19 56.460 13.312 -0.889 118 2HG LYS 19 HG1 LYS 19 57.492 12.146 -1.717 119 1HD LYS 19 HD2 LYS 19 58.848 14.055 -1.667 120 2HD LYS 19 HD1 LYS 19 58.101 14.169 -3.261 121 1HE LYS 19 HE2 LYS 19 56.260 15.424 -1.567 122 2HE LYS 19 HE1 LYS 19 57.845 15.981 -0.993 123 1HZ LYS 19 HZ1 LYS 19 58.369 16.183 -3.489 124 2HZ LYS 19 HZ2 LYS 19 57.424 17.394 -2.763 125 3HZ LYS 19 HZ3 LYS 19 56.687 16.183 -3.699 126 H SER 20 HN SER 20 56.019 8.921 -3.368 127 HA SER 20 HA SER 20 58.974 9.204 -3.682 128 1HB SER 20 HB2 SER 20 59.040 6.957 -2.896 129 2HB SER 20 HB1 SER 20 57.763 7.719 -1.952 130 HG SER 20 HG SER 20 56.252 6.737 -3.211 131 H THR 21 HN THR 21 59.665 7.028 -5.112 132 HA THR 21 HA THR 21 58.069 7.120 -7.646 133 HB THR 21 HB THR 21 61.088 7.149 -7.551 134 HG1 THR 21 HG1 THR 21 60.922 9.412 -7.735 135 1HG2 THR 21 HG21 THR 21 59.191 8.286 -9.609 136 2HG2 THR 21 HG22 THR 21 59.741 6.612 -9.654 137 3HG2 THR 21 HG23 THR 21 60.907 7.925 -9.798 138 H LEU 22 HN LEU 22 57.535 4.983 -6.258 139 HA LEU 22 HA LEU 22 59.522 2.847 -6.417 140 1HB LEU 22 HB2 LEU 22 56.538 2.596 -6.009 141 2HB LEU 22 HB1 LEU 22 57.809 1.572 -5.352 142 HG LEU 22 HG LEU 22 56.981 4.337 -4.502 143 1HD1 LEU 22 HD1 LEU 22 56.022 2.828 -3.052 144 2HD1 LEU 22 HD1 LEU 22 57.594 2.983 -2.268 145 3HD1 LEU 22 HD1 LEU 22 57.269 1.612 -3.330 146 1HD2 LEU 22 HD2 LEU 22 59.719 3.112 -4.385 147 2HD2 LEU 22 HD2 LEU 22 59.166 4.088 -3.027 148 3HD2 LEU 22 HD2 LEU 22 59.262 4.796 -4.639 149 H THR 23 HN THR 23 58.527 0.679 -7.452 150 HA THR 23 HA THR 23 57.004 1.061 -9.925 151 HB THR 23 HB THR 23 59.998 0.587 -9.917 152 HG1 THR 23 HG1 THR 23 59.098 2.391 -11.660 153 1HG2 THR 23 HG21 THR 23 59.720 0.379 -12.408 154 2HG2 THR 23 HG22 THR 23 57.977 0.286 -12.153 155 3HG2 THR 23 HG23 THR 23 59.032 -0.967 -11.499 156 H ASN 24 HN ASN 24 55.810 -0.801 -9.946 157 HA ASN 24 HA ASN 24 55.257 -3.092 -9.758 158 1HB ASN 24 HB2 ASN 24 58.123 -2.903 -10.552 159 2HB ASN 24 HB1 ASN 24 57.571 -4.478 -9.985 160 1HD2 ASN 24 HD2 ASN 24 55.069 -4.800 -10.973 161 2HD2 ASN 24 HD2 ASN 24 55.030 -4.634 -12.662 162 H CYS 25 HN CYS 25 55.523 -1.718 -7.308 163 HA CYS 25 HA CYS 25 57.075 -3.587 -5.568 164 1HB CYS 25 HB2 CYS 25 56.668 -0.766 -5.678 165 2HB CYS 25 HB1 CYS 25 55.928 -1.340 -4.195 166 H TYR 26 HN TYR 26 55.623 -2.906 -3.231 167 HA TYR 26 HA TYR 26 52.800 -3.534 -3.490 168 1HB TYR 26 HB2 TYR 26 53.539 -5.747 -3.961 169 2HB TYR 26 HB1 TYR 26 54.881 -5.624 -2.823 170 HD1 TYR 26 HD1 TYR 26 54.432 -5.623 -0.356 171 HD2 TYR 26 HD2 TYR 26 51.353 -6.411 -3.247 172 HE1 TYR 26 HE1 TYR 26 53.011 -6.607 1.424 173 HE2 TYR 26 HE2 TYR 26 49.934 -7.395 -1.467 174 HH TYR 26 HH TYR 26 50.546 -6.983 1.807 175 H VAL 27 HN VAL 27 55.721 -3.607 -1.533 176 HA VAL 27 HA VAL 27 56.192 -2.830 0.628 177 HB VAL 27 HB VAL 27 53.789 -1.084 0.056 178 1HG1 VAL 27 HG11 VAL 27 54.455 -0.191 2.025 179 2HG1 VAL 27 HG12 VAL 27 55.864 0.412 1.152 180 3HG1 VAL 27 HG13 VAL 27 55.957 -1.120 2.024 181 1HG2 VAL 27 HG21 VAL 27 55.302 -1.225 -1.933 182 2HG2 VAL 27 HG22 VAL 27 56.657 -0.757 -0.905 183 3HG2 VAL 27 HG23 VAL 27 55.335 0.375 -1.188 184 H ASP 28 HN ASP 28 55.581 -3.079 2.786 185 HA ASP 28 HA ASP 28 52.820 -3.818 3.515 186 1HB ASP 28 HB2 ASP 28 54.279 -5.815 2.545 187 2HB ASP 28 HB1 ASP 28 54.994 -5.791 4.156 188 H LYS 29 HN LYS 29 52.544 -2.766 5.466 189 HA LYS 29 HA LYS 29 53.117 -1.711 7.513 190 1HB LYS 29 HB2 LYS 29 54.950 -4.135 7.478 191 2HB LYS 29 HB1 LYS 29 54.564 -3.189 8.918 192 1HG LYS 29 HG2 LYS 29 52.312 -3.870 8.914 193 2HG LYS 29 HG1 LYS 29 52.370 -4.367 7.223 194 1HD LYS 29 HD2 LYS 29 52.478 -6.429 8.307 195 2HD LYS 29 HD1 LYS 29 54.189 -6.065 8.081 196 1HE LYS 29 HE2 LYS 29 54.316 -6.461 10.337 197 2HE LYS 29 HE1 LYS 29 53.682 -4.809 10.475 198 1HZ LYS 29 HZ1 LYS 29 51.447 -6.158 9.973 199 2HZ LYS 29 HZ2 LYS 29 52.005 -5.847 11.547 200 3HZ LYS 29 HZ3 LYS 29 52.309 -7.352 10.816 201 H SER 30 HN SER 30 54.304 -0.338 5.492 202 HA SER 30 HA SER 30 57.008 0.285 6.596 203 1HB SER 30 HB2 SER 30 56.249 -0.395 3.744 204 2HB SER 30 HB1 SER 30 57.759 0.413 4.156 205 HG SER 30 HG SER 30 56.844 -2.152 4.933 206 H GLU 31 HN GLU 31 57.799 2.335 5.121 207 HA GLU 31 HA GLU 31 55.467 4.217 4.940 208 1HB GLU 31 HB2 GLU 31 58.091 4.341 6.379 209 2HB GLU 31 HB1 GLU 31 57.417 5.845 5.752 210 1HG GLU 31 HG2 GLU 31 55.580 5.774 7.157 211 2HG GLU 31 HG1 GLU 31 55.603 4.014 7.269 212 H VAL 32 HN VAL 32 58.982 4.357 4.239 213 HA VAL 32 HA VAL 32 60.114 4.953 2.249 214 HB VAL 32 HB VAL 32 57.472 4.300 0.924 215 1HG1 VAL 32 HG11 VAL 32 58.770 4.799 -0.871 216 2HG1 VAL 32 HG12 VAL 32 59.543 3.245 -0.557 217 3HG1 VAL 32 HG13 VAL 32 60.257 4.729 0.075 218 1HG2 VAL 32 HG21 VAL 32 59.196 2.048 0.939 219 2HG2 VAL 32 HG22 VAL 32 57.641 2.210 1.753 220 3HG2 VAL 32 HG23 VAL 32 59.126 2.635 2.602 221 H TYR 33 HN TYR 33 60.279 6.776 0.802 222 HA TYR 33 HA TYR 33 58.045 8.736 0.789 223 1HB TYR 33 HB2 TYR 33 60.680 8.954 2.210 224 2HB TYR 33 HB1 TYR 33 59.963 10.415 1.530 225 HD1 TYR 33 HD1 TYR 33 57.804 11.262 2.342 226 HD2 TYR 33 HD2 TYR 33 59.626 7.769 4.055 227 HE1 TYR 33 HE1 TYR 33 56.254 11.401 4.274 228 HE2 TYR 33 HE2 TYR 33 58.076 7.908 5.987 229 HH TYR 33 HH TYR 33 56.304 10.609 6.728 230 H GLY 34 HN GLY 34 61.427 8.057 -0.155 231 1HA GLY 34 HA2 GLY 34 60.795 9.168 -2.847 232 2HA GLY 34 HA1 GLY 34 62.245 9.723 -2.007 233 H THR 35 HN THR 35 61.179 6.430 -1.622 234 HA THR 35 HA THR 35 63.712 5.381 -2.547 235 HB THR 35 HB THR 35 61.031 4.215 -1.768 236 HG1 THR 35 HG1 THR 35 62.265 5.063 -0.101 237 1HG2 THR 35 HG21 THR 35 63.586 2.751 -2.489 238 2HG2 THR 35 HG22 THR 35 62.065 2.687 -3.381 239 3HG2 THR 35 HG23 THR 35 62.163 2.007 -1.757 240 H THR 36 HN THR 36 64.088 4.099 -4.443 241 HA THR 36 HA THR 36 62.150 4.610 -6.669 242 HB THR 36 HB THR 36 65.106 3.914 -6.708 243 HG1 THR 36 HG1 THR 36 63.680 6.305 -6.547 244 1HG2 THR 36 HG21 THR 36 63.283 4.988 -8.879 245 2HG2 THR 36 HG22 THR 36 63.836 3.318 -8.761 246 3HG2 THR 36 HG23 THR 36 64.997 4.612 -9.049 247 H CYS 37 HN CYS 37 61.306 2.540 -5.166 248 HA CYS 37 HA CYS 37 62.261 -0.029 -5.285 249 1HB CYS 37 HB2 CYS 37 60.123 0.536 -4.317 250 2HB CYS 37 HB1 CYS 37 59.494 1.055 -5.878 251 H THR 38 HN THR 38 62.572 -1.610 -6.860 252 HA THR 38 HA THR 38 61.929 -0.849 -9.694 253 HB THR 38 HB THR 38 64.309 -2.333 -8.526 254 HG1 THR 38 HG1 THR 38 65.147 -0.288 -9.783 255 1HG2 THR 38 HG21 THR 38 64.817 -1.545 -11.174 256 2HG2 THR 38 HG22 THR 38 63.196 -2.241 -11.202 257 3HG2 THR 38 HG23 THR 38 64.552 -3.190 -10.593 258 H GLY 39 HN GLY 39 60.794 -2.735 -7.393 259 1HA GLY 39 HA2 GLY 39 59.185 -4.480 -8.337 260 2HA GLY 39 HA1 GLY 39 60.620 -5.196 -9.071 261 H SER 40 HN SER 40 59.941 -3.872 -5.818 262 HA SER 40 HA SER 40 60.712 -6.531 -4.670 263 1HB SER 40 HB2 SER 40 61.536 -3.907 -3.446 264 2HB SER 40 HB1 SER 40 62.279 -5.493 -3.257 265 HG SER 40 HG SER 40 63.536 -4.288 -4.651 266 H ARG 41 HN ARG 41 60.369 -6.009 -2.020 267 HA ARG 41 HA ARG 41 57.745 -4.652 -1.658 268 1HB ARG 41 HB2 ARG 41 56.705 -6.654 -0.842 269 2HB ARG 41 HB1 ARG 41 57.506 -7.106 -2.347 270 1HG ARG 41 HG2 ARG 41 58.463 -8.757 -1.120 271 2HG ARG 41 HG1 ARG 41 59.510 -7.483 -0.496 272 1HD ARG 41 HD2 ARG 41 58.349 -7.328 1.516 273 2HD ARG 41 HD1 ARG 41 56.833 -7.912 0.803 274 HE ARG 41 HE ARG 41 59.141 -9.786 0.945 275 1HH1 ARG 41 HH2 ARG 41 55.842 -9.596 0.717 276 2HH1 ARG 41 HH2 ARG 41 55.490 -10.741 1.969 277 1HH2 ARG 41 HH1 ARG 41 58.767 -10.927 3.085 278 2HH2 ARG 41 HH1 ARG 41 57.147 -11.494 3.309 279 H PHE 42 HN PHE 42 57.169 -4.697 0.773 280 HA PHE 42 HA PHE 42 59.648 -4.730 2.458 281 1HB PHE 42 HB2 PHE 42 57.400 -2.691 2.475 282 2HB PHE 42 HB1 PHE 42 58.866 -2.633 3.455 283 HD1 PHE 42 HD1 PHE 42 60.932 -3.486 1.532 284 HD2 PHE 42 HD2 PHE 42 57.574 -0.863 1.000 285 HE1 PHE 42 HE1 PHE 42 62.121 -2.338 -0.317 286 HE2 PHE 42 HE2 PHE 42 58.762 0.286 -0.848 287 HZ PHE 42 HZ PHE 42 61.035 -0.453 -1.506 288 H ASP 43 HN ASP 43 58.848 -4.495 4.899 289 HA ASP 43 HA ASP 43 56.237 -5.607 5.538 290 1HB ASP 43 HB2 ASP 43 58.078 -7.404 4.582 291 2HB ASP 43 HB1 ASP 43 58.360 -7.508 6.321 292 H GLY 44 HN GLY 44 56.967 -3.429 6.697 293 1HA GLY 44 HA2 GLY 44 56.947 -2.842 9.065 294 2HA GLY 44 HA1 GLY 44 57.969 -4.243 9.382 295 H VAL 45 HN VAL 45 58.278 -1.558 7.014 296 HA VAL 45 HA VAL 45 60.957 -1.036 8.261 297 HB VAL 45 HB VAL 45 61.933 -1.039 6.148 298 1HG1 VAL 45 HG11 VAL 45 61.038 -2.957 4.880 299 2HG1 VAL 45 HG12 VAL 45 59.534 -2.860 5.801 300 3HG1 VAL 45 HG13 VAL 45 61.039 -3.287 6.613 301 1HG2 VAL 45 HG21 VAL 45 60.380 -0.867 4.051 302 2HG2 VAL 45 HG22 VAL 45 60.759 0.599 4.960 303 3HG2 VAL 45 HG23 VAL 45 59.209 -0.207 5.193 304 H THR 46 HN THR 46 61.770 1.173 7.155 305 HA THR 46 HA THR 46 59.623 3.202 6.967 306 HB THR 46 HB THR 46 61.742 3.076 9.139 307 HG1 THR 46 HG1 THR 46 60.079 2.688 10.458 308 1HG2 THR 46 HG21 THR 46 61.607 5.363 8.697 309 2HG2 THR 46 HG22 THR 46 60.340 5.162 9.908 310 3HG2 THR 46 HG23 THR 46 59.918 5.268 8.198 311 H ILE 47 HN ILE 47 61.209 2.535 4.885 312 HA ILE 47 HA ILE 47 63.726 4.019 4.869 313 HB ILE 47 HB ILE 47 63.389 1.896 3.679 314 1HG1 ILE 47 HG12 ILE 47 63.602 3.986 1.523 315 2HG1 ILE 47 HG11 ILE 47 64.851 3.863 2.764 316 1HG2 ILE 47 HG21 ILE 47 61.925 2.330 1.460 317 2HG2 ILE 47 HG22 ILE 47 61.088 3.415 2.568 318 3HG2 ILE 47 HG23 ILE 47 61.224 1.700 2.950 319 1HD1 ILE 47 HD1 ILE 47 64.956 1.369 2.202 320 2HD1 ILE 47 HD1 ILE 47 65.599 2.470 0.981 321 3HD1 ILE 47 HD1 ILE 47 64.000 1.756 0.770 322 H THR 48 HN THR 48 64.069 5.543 2.895 323 HA THR 48 HA THR 48 61.679 7.200 2.267 324 HB THR 48 HB THR 48 63.000 9.213 3.015 325 HG1 THR 48 HG1 THR 48 64.692 8.114 4.645 326 1HG2 THR 48 HG21 THR 48 62.182 9.034 5.140 327 2HG2 THR 48 HG22 THR 48 62.940 7.464 5.408 328 3HG2 THR 48 HG23 THR 48 61.441 7.572 4.486 329 H THR 49 HN THR 49 63.899 9.249 1.436 330 HA THR 49 HA THR 49 64.042 8.619 -1.327 331 HB THR 49 HB THR 49 65.876 10.256 0.454 332 HG1 THR 49 HG1 THR 49 63.456 10.632 0.215 333 1HG2 THR 49 HG21 THR 49 66.414 11.481 -1.619 334 2HG2 THR 49 HG22 THR 49 65.410 10.362 -2.540 335 3HG2 THR 49 HG23 THR 49 66.874 9.783 -1.742 336 H SER 50 HN SER 50 64.733 6.269 -1.241 337 HA SER 50 HA SER 50 67.715 6.090 -1.155 338 1HB SER 50 HB2 SER 50 66.905 5.364 1.016 339 2HB SER 50 HB1 SER 50 65.694 4.330 0.265 340 HG SER 50 HG SER 50 67.243 2.948 -0.355 341 H THR 51 HN THR 51 68.568 4.590 -2.649 342 HA THR 51 HA THR 51 66.608 3.521 -4.627 343 HB THR 51 HB THR 51 69.518 3.248 -5.053 344 HG1 THR 51 HG1 THR 51 69.860 5.432 -5.243 345 1HG2 THR 51 HG21 THR 51 67.070 3.701 -6.546 346 2HG2 THR 51 HG22 THR 51 68.627 3.096 -7.112 347 3HG2 THR 51 HG23 THR 51 68.333 4.833 -7.029 348 H SER 52 HN SER 52 66.155 1.367 -4.644 349 HA SER 52 HA SER 52 68.161 -0.560 -3.557 350 1HB SER 52 HB2 SER 52 66.745 -1.260 -1.893 351 2HB SER 52 HB1 SER 52 66.053 0.349 -2.088 352 HG SER 52 HG SER 52 64.597 -1.567 -2.221 353 H THR 53 HN THR 53 68.361 -2.298 -4.937 354 HA THR 53 HA THR 53 66.268 -2.645 -7.051 355 HB THR 53 HB THR 53 68.970 -3.950 -7.073 356 HG1 THR 53 HG1 THR 53 69.839 -2.004 -7.862 357 1HG2 THR 53 HG21 THR 53 68.394 -2.703 -9.503 358 2HG2 THR 53 HG22 THR 53 66.830 -3.285 -8.931 359 3HG2 THR 53 HG23 THR 53 68.172 -4.412 -9.129 360 H GLY 54 HN GLY 54 64.790 -4.141 -6.230 361 1HA GLY 54 HA2 GLY 54 63.991 -6.149 -5.300 362 2HA GLY 54 HA1 GLY 54 65.387 -6.883 -6.095 363 H SER 55 HN SER 55 64.183 -5.560 -3.078 364 HA SER 55 HA SER 55 66.303 -7.021 -1.619 365 1HB SER 55 HB2 SER 55 66.786 -4.811 -0.377 366 2HB SER 55 HB1 SER 55 67.422 -4.959 -2.013 367 HG SER 55 HG SER 55 66.358 -3.149 -2.270 368 H ARG 56 HN ARG 56 65.165 -8.072 -0.046 369 HA ARG 56 HA ARG 56 62.516 -7.247 0.812 370 1HB ARG 56 HB2 ARG 56 63.846 -9.568 0.705 371 2HB ARG 56 HB1 ARG 56 64.244 -9.135 2.368 372 1HG ARG 56 HG2 ARG 56 61.481 -8.599 2.032 373 2HG ARG 56 HG1 ARG 56 61.776 -10.192 1.334 374 1HD ARG 56 HD2 ARG 56 63.059 -9.589 3.970 375 2HD ARG 56 HD1 ARG 56 61.315 -9.917 3.951 376 HE ARG 56 HE ARG 56 62.607 -11.846 2.294 377 1HH1 ARG 56 HH2 ARG 56 64.355 -11.516 4.855 378 2HH1 ARG 56 HH2 ARG 56 63.733 -12.819 5.811 379 1HH2 ARG 56 HH1 ARG 56 60.915 -13.272 3.839 380 2HH2 ARG 56 HH1 ARG 56 61.786 -13.813 5.236 381 H ILE 57 HN ILE 57 62.529 -5.242 1.894 382 HA ILE 57 HA ILE 57 64.599 -4.619 3.886 383 HB ILE 57 HB ILE 57 62.016 -3.157 3.287 384 1HG1 ILE 57 HG12 ILE 57 62.954 -3.520 1.125 385 2HG1 ILE 57 HG11 ILE 57 63.498 -1.909 1.595 386 1HG2 ILE 57 HG21 ILE 57 63.279 -2.284 5.171 387 2HG2 ILE 57 HG22 ILE 57 63.476 -1.184 3.806 388 3HG2 ILE 57 HG23 ILE 57 64.769 -2.306 4.229 389 1HD1 ILE 57 HD1 ILE 57 65.379 -3.181 0.672 390 2HD1 ILE 57 HD1 ILE 57 65.100 -4.475 1.836 391 3HD1 ILE 57 HD1 ILE 57 65.642 -2.891 2.392 392 H SER 58 HN SER 58 62.250 -6.781 4.094 393 HA SER 58 HA SER 58 60.437 -6.275 6.113 394 1HB SER 58 HB2 SER 58 62.090 -8.556 5.212 395 2HB SER 58 HB1 SER 58 61.409 -8.728 6.826 396 HG SER 58 HG SER 58 60.054 -8.217 4.385 397 H GLY 59 HN GLY 59 60.511 -6.379 8.451 398 1HA GLY 59 HA2 GLY 59 62.583 -6.927 10.162 399 2HA GLY 59 HA1 GLY 59 62.985 -5.308 9.593 400 HA PRO 60 HA PRO 60 59.491 -5.294 12.813 401 1HB PRO 60 HB2 PRO 60 60.835 -5.459 15.189 402 2HB PRO 60 HB1 PRO 60 60.191 -6.883 14.347 403 1HG PRO 60 HG2 PRO 60 62.976 -5.873 14.498 404 2HG PRO 60 HG1 PRO 60 62.377 -7.536 14.427 405 1HD PRO 60 HD2 PRO 60 63.447 -6.152 12.290 406 2HD PRO 60 HD1 PRO 60 62.374 -7.562 12.154 407 H GLY 61 HN GLY 61 60.592 -3.227 11.440 408 1HA GLY 61 HA2 GLY 61 60.283 -0.850 12.293 409 2HA GLY 61 HA1 GLY 61 61.461 -1.274 13.535 410 H CYS 62 HN CYS 62 61.934 -2.585 10.365 411 HA CYS 62 HA CYS 62 64.555 -1.766 9.975 412 1HB CYS 62 HB2 CYS 62 62.496 -3.020 8.559 413 2HB CYS 62 HB1 CYS 62 62.985 -1.681 7.523 414 H LYS 63 HN LYS 63 65.473 0.241 9.803 415 HA LYS 63 HA LYS 63 63.779 2.510 8.803 416 1HB LYS 63 HB2 LYS 63 66.354 2.768 10.352 417 2HB LYS 63 HB1 LYS 63 65.000 3.894 10.272 418 1HG LYS 63 HG2 LYS 63 64.870 1.157 11.564 419 2HG LYS 63 HG1 LYS 63 65.126 2.663 12.443 420 1HD LYS 63 HD2 LYS 63 62.709 2.005 10.738 421 2HD LYS 63 HD1 LYS 63 62.749 2.063 12.500 422 1HE LYS 63 HE2 LYS 63 63.833 4.526 11.693 423 2HE LYS 63 HE1 LYS 63 62.445 4.261 10.620 424 1HZ LYS 63 HZ1 LYS 63 61.287 4.975 12.405 425 2HZ LYS 63 HZ2 LYS 63 62.515 4.577 13.510 426 3HZ LYS 63 HZ3 LYS 63 61.468 3.372 12.928 427 H ILE 64 HN ILE 64 64.667 3.820 7.132 428 HA ILE 64 HA ILE 64 67.424 3.303 6.208 429 HB ILE 64 HB ILE 64 64.951 2.679 4.567 430 1HG1 ILE 64 HG12 ILE 64 67.108 0.991 5.851 431 2HG1 ILE 64 HG11 ILE 64 65.366 0.888 6.101 432 1HG2 ILE 64 HG21 ILE 64 66.625 1.912 2.870 433 2HG2 ILE 64 HG22 ILE 64 67.902 2.602 3.873 434 3HG2 ILE 64 HG23 ILE 64 66.679 3.651 3.154 435 1HD1 ILE 64 HD1 ILE 64 65.062 0.159 3.773 436 2HD1 ILE 64 HD1 ILE 64 66.172 -0.919 4.621 437 3HD1 ILE 64 HD1 ILE 64 66.800 0.290 3.499 438 H SER 65 HN SER 65 68.235 5.253 5.576 439 HA SER 65 HA SER 65 66.371 7.247 4.358 440 1HB SER 65 HB2 SER 65 66.520 8.401 6.296 441 2HB SER 65 HB1 SER 65 67.753 7.305 6.918 442 HG SER 65 HG SER 65 68.201 9.705 6.349 443 H THR 66 HN THR 66 67.239 7.190 2.299 444 HA THR 66 HA THR 66 68.787 7.737 0.601 445 HB THR 66 HB THR 66 70.757 8.563 2.697 446 HG1 THR 66 HG1 THR 66 69.411 9.915 3.543 447 1HG2 THR 66 HG21 THR 66 70.249 8.996 -0.095 448 2HG2 THR 66 HG22 THR 66 71.620 9.546 0.870 449 3HG2 THR 66 HG23 THR 66 70.171 10.544 0.749 450 H CYS 67 HN CYS 67 68.934 5.337 0.398 451 HA CYS 67 HA CYS 67 71.707 4.395 1.025 452 1HB CYS 67 HB2 CYS 67 69.630 3.626 2.538 453 2HB CYS 67 HB1 CYS 67 69.407 2.489 1.213 454 H ILE 68 HN ILE 68 72.594 3.840 -0.930 455 HA ILE 68 HA ILE 68 70.829 3.216 -3.217 456 HB ILE 68 HB ILE 68 73.842 3.486 -2.919 457 1HG1 ILE 68 HG12 ILE 68 73.391 5.623 -4.211 458 2HG1 ILE 68 HG11 ILE 68 71.671 5.350 -3.932 459 1HG2 ILE 68 HG21 ILE 68 72.911 3.882 -5.584 460 2HG2 ILE 68 HG22 ILE 68 72.223 2.366 -4.999 461 3HG2 ILE 68 HG23 ILE 68 73.973 2.604 -4.987 462 1HD1 ILE 68 HD1 ILE 68 71.849 5.711 -1.637 463 2HD1 ILE 68 HD1 ILE 68 73.034 6.859 -2.264 464 3HD1 ILE 68 HD1 ILE 68 73.565 5.311 -1.605 465 H ILE 69 HN ILE 69 70.078 1.223 -2.187 466 HA ILE 69 HA ILE 69 72.010 -0.977 -1.841 467 HB ILE 69 HB ILE 69 68.986 -1.022 -1.675 468 1HG1 ILE 69 HG12 ILE 69 70.811 -0.369 0.652 469 2HG1 ILE 69 HG11 ILE 69 70.147 0.904 -0.366 470 1HG2 ILE 69 HG21 ILE 69 70.649 -3.087 -1.488 471 2HG2 ILE 69 HG22 ILE 69 69.254 -2.949 -0.419 472 3HG2 ILE 69 HG23 ILE 69 70.853 -2.479 0.154 473 1HD1 ILE 69 HD1 ILE 69 68.798 -0.800 1.625 474 2HD1 ILE 69 HD1 ILE 69 67.913 -0.581 0.115 475 3HD1 ILE 69 HD1 ILE 69 68.395 0.824 1.067 476 H THR 70 HN THR 70 71.897 -2.940 -3.096 477 HA THR 70 HA THR 70 70.188 -2.940 -5.530 478 HB THR 70 HB THR 70 73.206 -2.789 -5.416 479 HG1 THR 70 HG1 THR 70 72.174 -1.349 -7.335 480 1HG2 THR 70 HG21 THR 70 71.438 -3.714 -7.695 481 2HG2 THR 70 HG22 THR 70 72.711 -4.638 -6.896 482 3HG2 THR 70 HG23 THR 70 73.126 -3.240 -7.888 483 H GLY 71 HN GLY 71 69.225 -4.920 -4.929 484 1HA GLY 71 HA2 GLY 71 69.208 -7.302 -5.143 485 2HA GLY 71 HA1 GLY 71 70.972 -7.288 -5.140 486 H GLY 72 HN GLY 72 69.000 -5.626 -2.742 487 1HA GLY 72 HA2 GLY 72 68.629 -6.143 -0.464 488 2HA GLY 72 HA1 GLY 72 69.283 -7.752 -0.762 489 H VAL 73 HN VAL 73 71.254 -5.207 -1.909 490 HA VAL 73 HA VAL 73 73.006 -5.437 0.522 491 HB VAL 73 HB VAL 73 74.877 -5.556 -1.012 492 1HG1 VAL 73 HG11 VAL 73 72.623 -7.400 -1.190 493 2HG1 VAL 73 HG12 VAL 73 74.349 -7.750 -1.096 494 3HG1 VAL 73 HG13 VAL 73 73.600 -7.411 -2.656 495 1HG2 VAL 73 HG21 VAL 73 74.527 -4.175 -2.814 496 2HG2 VAL 73 HG22 VAL 73 72.810 -4.572 -2.916 497 3HG2 VAL 73 HG23 VAL 73 74.015 -5.685 -3.567 498 HA PRO 74 HA PRO 74 72.681 -0.990 0.289 499 1HB PRO 74 HB2 PRO 74 74.321 -0.452 2.408 500 2HB PRO 74 HB1 PRO 74 72.647 -0.999 2.606 501 1HG PRO 74 HG2 PRO 74 75.180 -2.522 2.873 502 2HG PRO 74 HG1 PRO 74 73.666 -2.680 3.774 503 1HD PRO 74 HD2 PRO 74 74.460 -4.367 1.747 504 2HD PRO 74 HD1 PRO 74 72.777 -4.132 2.262 505 H ALA 75 HN ALA 75 74.018 0.617 -0.626 506 HA ALA 75 HA ALA 75 76.645 -0.299 -1.645 507 1HB ALA 75 HB1 ALA 75 75.220 0.743 -3.245 508 2HB ALA 75 HB2 ALA 75 76.400 1.986 -2.833 509 3HB ALA 75 HB3 ALA 75 74.785 2.037 -2.127 510 HA PRO 76 HA PRO 76 79.038 1.992 1.232 511 1HB PRO 76 HB2 PRO 76 81.021 3.027 -0.354 512 2HB PRO 76 HB1 PRO 76 80.938 1.313 0.103 513 1HG PRO 76 HG2 PRO 76 80.094 2.636 -2.432 514 2HG PRO 76 HG1 PRO 76 80.927 1.093 -2.190 515 1HD PRO 76 HD2 PRO 76 78.277 1.251 -2.723 516 2HD PRO 76 HD1 PRO 76 78.981 -0.042 -1.723 517 H SER 77 HN SER 77 76.930 3.471 1.064 518 HA SER 77 HA SER 77 77.660 6.158 -0.035 519 1HB SER 77 HB2 SER 77 75.419 4.564 -0.301 520 2HB SER 77 HB1 SER 77 74.937 5.681 0.973 521 HG SER 77 HG SER 77 75.807 7.352 -0.505 522 H ALA 78 HN ALA 78 78.238 7.693 1.444 523 HA ALA 78 HA ALA 78 78.177 7.195 4.297 524 1HB ALA 78 HB1 ALA 78 78.790 9.766 4.156 525 2HB ALA 78 HB2 ALA 78 78.895 9.433 2.427 526 3HB ALA 78 HB3 ALA 78 79.925 8.556 3.558 527 H ALA 79 HN ALA 79 75.705 8.035 2.204 528 HA ALA 79 HA ALA 79 74.346 9.905 4.066 529 1HB ALA 79 HB1 ALA 79 73.505 8.738 1.392 530 2HB ALA 79 HB2 ALA 79 74.427 10.230 1.583 531 3HB ALA 79 HB3 ALA 79 72.780 10.125 2.204 532 H CYS 80 HN CYS 80 74.295 6.531 3.122 533 HA CYS 80 HA CYS 80 71.619 5.950 4.092 534 1HB CYS 80 HB2 CYS 80 72.824 4.596 2.428 535 2HB CYS 80 HB1 CYS 80 74.068 4.221 3.606 536 H LYS 81 HN LYS 81 71.314 4.432 6.040 537 HA LYS 81 HA LYS 81 73.072 5.395 8.258 538 1HB LYS 81 HB2 LYS 81 71.153 5.659 9.458 539 2HB LYS 81 HB1 LYS 81 70.390 5.633 7.874 540 1HG LYS 81 HG2 LYS 81 70.823 3.059 9.401 541 2HG LYS 81 HG1 LYS 81 69.440 4.089 9.744 542 1HD LYS 81 HD2 LYS 81 68.436 3.672 7.726 543 2HD LYS 81 HD1 LYS 81 69.967 3.472 6.878 544 1HE LYS 81 HE2 LYS 81 68.684 1.310 7.123 545 2HE LYS 81 HE1 LYS 81 70.276 1.251 7.902 546 1HZ LYS 81 HZ1 LYS 81 67.724 1.956 9.252 547 2HZ LYS 81 HZ2 LYS 81 69.253 1.908 9.990 548 3HZ LYS 81 HZ3 LYS 81 68.539 0.478 9.411 549 H ILE 82 HN ILE 82 71.485 2.426 7.041 550 HA ILE 82 HA ILE 82 71.892 0.160 7.618 551 HB ILE 82 HB ILE 82 74.675 1.327 7.960 552 1HG1 ILE 82 HG12 ILE 82 73.765 2.095 5.845 553 2HG1 ILE 82 HG11 ILE 82 74.890 0.778 5.507 554 1HG2 ILE 82 HG21 ILE 82 73.756 -1.414 7.040 555 2HG2 ILE 82 HG22 ILE 82 74.356 -1.049 8.659 556 3HG2 ILE 82 HG23 ILE 82 75.426 -0.889 7.265 557 1HD1 ILE 82 HD1 ILE 82 71.876 0.513 5.717 558 2HD1 ILE 82 HD1 ILE 82 73.000 -0.807 5.394 559 3HD1 ILE 82 HD1 ILE 82 72.809 0.495 4.221 560 H SER 83 HN SER 83 70.645 0.694 9.739 561 HA SER 83 HA SER 83 72.515 0.389 12.070 562 1HB SER 83 HB2 SER 83 70.516 2.385 11.411 563 2HB SER 83 HB1 SER 83 70.127 1.597 12.936 564 HG SER 83 HG SER 83 71.672 2.725 13.778 565 H GLY 84 HN GLY 84 68.968 0.381 11.997 566 1HA GLY 84 HA2 GLY 84 69.065 -2.401 13.079 567 2HA GLY 84 HA1 GLY 84 67.781 -1.241 13.418 568 H CYS 85 HN CYS 85 69.193 -1.932 10.231 569 HA CYS 85 HA CYS 85 66.582 -3.162 9.454 570 1HB CYS 85 HB2 CYS 85 66.953 -0.679 8.868 571 2HB CYS 85 HB1 CYS 85 68.184 -1.242 7.747 572 H THR 86 HN THR 86 66.950 -4.123 7.066 573 HA THR 86 HA THR 86 69.604 -5.022 6.361 574 HB THR 86 HB THR 86 69.430 -6.346 8.346 575 HG1 THR 86 HG1 THR 86 70.099 -7.851 7.046 576 1HG2 THR 86 HG21 THR 86 67.410 -7.748 8.791 577 2HG2 THR 86 HG22 THR 86 66.626 -7.006 7.396 578 3HG2 THR 86 HG23 THR 86 67.056 -6.021 8.794 579 H PHE 87 HN PHE 87 69.515 -6.356 4.427 580 HA PHE 87 HA PHE 87 66.770 -6.573 3.231 581 1HB PHE 87 HB2 PHE 87 69.075 -6.239 1.403 582 2HB PHE 87 HB1 PHE 87 67.486 -5.490 1.344 583 HD1 PHE 87 HD1 PHE 87 67.248 -4.057 3.867 584 HD2 PHE 87 HD2 PHE 87 70.687 -4.579 1.345 585 HE1 PHE 87 HE1 PHE 87 68.228 -1.954 4.767 586 HE2 PHE 87 HE2 PHE 87 71.658 -2.493 2.241 587 HZ PHE 87 HZ PHE 87 70.436 -1.176 3.950 588 H SER 88 HN SER 88 66.557 -8.324 1.653 589 HA SER 88 HA SER 88 68.698 -10.403 1.749 590 1HB SER 88 HB2 SER 88 67.001 -10.766 3.557 591 2HB SER 88 HB1 SER 88 65.747 -10.845 2.322 592 HG SER 88 HG SER 88 66.479 -12.750 1.685 593 H ALA 89 HN ALA 89 67.399 -8.468 -0.275 594 HA ALA 89 HA ALA 89 66.771 -8.553 -2.551 595 1HB ALA 89 HB1 ALA 89 68.363 -10.979 -1.909 596 2HB ALA 89 HB2 ALA 89 68.659 -9.732 -3.118 597 3HB ALA 89 HB3 ALA 89 67.487 -11.010 -3.440 598 H ASN 90 HN ASN 90 64.473 -8.531 -1.776 599 HA ASN 90 HA ASN 90 62.969 -10.949 -1.366 600 1HB ASN 90 HB2 ASN 90 61.161 -9.450 -1.205 601 2HB ASN 90 HB1 ASN 90 62.536 -8.430 -0.797 602 1HD2 ASN 90 HD2 ASN 90 63.613 -7.962 -3.384 603 2HD2 ASN 90 HD2 ASN 90 62.487 -7.077 -4.296 Start of MODEL 2 1 1H ASP 1 HT1 ASP 1 48.097 4.426 2.770 2 2H ASP 1 HT2 ASP 1 49.063 3.932 4.078 3 3H ASP 1 HT3 ASP 1 49.397 5.393 3.274 4 HA ASP 1 HA ASP 1 47.869 5.106 5.542 5 1HB ASP 1 HB2 ASP 1 49.222 7.009 4.325 6 2HB ASP 1 HB1 ASP 1 47.655 7.414 3.622 7 H GLY 2 HN GLY 2 46.715 5.795 2.219 8 1HA GLY 2 HA2 GLY 2 43.963 5.113 3.177 9 2HA GLY 2 HA1 GLY 2 44.267 6.354 1.961 10 H SER 3 HN SER 3 44.856 5.697 -0.170 11 HA SER 3 HA SER 3 44.322 2.800 -0.739 12 1HB SER 3 HB2 SER 3 43.712 5.387 -2.168 13 2HB SER 3 HB1 SER 3 43.684 3.848 -3.026 14 HG SER 3 HG SER 3 41.636 4.349 -2.177 15 H CYS 4 HN CYS 4 45.651 5.303 -2.873 16 HA CYS 4 HA CYS 4 47.695 5.376 -4.062 17 1HB CYS 4 HB2 CYS 4 48.210 5.007 -1.396 18 2HB CYS 4 HB1 CYS 4 49.033 3.617 -2.098 19 H THR 5 HN THR 5 49.434 3.773 -5.009 20 HA THR 5 HA THR 5 48.639 0.950 -5.146 21 HB THR 5 HB THR 5 48.259 2.889 -7.450 22 HG1 THR 5 HG1 THR 5 46.124 1.794 -7.297 23 1HG2 THR 5 HG21 THR 5 48.735 -0.022 -7.396 24 2HG2 THR 5 HG22 THR 5 48.899 1.118 -8.731 25 3HG2 THR 5 HG23 THR 5 47.314 0.465 -8.318 26 H ASN 6 HN ASN 6 51.031 3.005 -4.847 27 HA ASN 6 HA ASN 6 53.248 3.248 -5.706 28 1HB ASN 6 HB2 ASN 6 54.300 0.909 -5.494 29 2HB ASN 6 HB1 ASN 6 53.424 1.504 -4.084 30 1HD2 ASN 6 HD2 ASN 6 52.865 -0.460 -7.048 31 2HD2 ASN 6 HD2 ASN 6 51.718 -1.475 -6.324 32 H THR 7 HN THR 7 51.868 3.669 -7.921 33 HA THR 7 HA THR 7 52.129 3.560 -10.274 34 HB THR 7 HB THR 7 53.954 1.208 -10.048 35 HG1 THR 7 HG1 THR 7 54.484 3.787 -9.001 36 1HG2 THR 7 HG21 THR 7 55.302 2.790 -11.553 37 2HG2 THR 7 HG22 THR 7 53.880 3.833 -11.541 38 3HG2 THR 7 HG23 THR 7 53.770 2.201 -12.199 39 H ASN 8 HN ASN 8 52.277 0.258 -8.840 40 HA ASN 8 HA ASN 8 49.667 -0.540 -9.571 41 1HB ASN 8 HB2 ASN 8 51.472 -0.172 -11.769 42 2HB ASN 8 HB1 ASN 8 51.075 -1.884 -11.640 43 1HD2 ASN 8 HD2 ASN 8 49.406 -2.260 -13.115 44 2HD2 ASN 8 HD2 ASN 8 48.012 -1.301 -13.262 45 H SER 9 HN SER 9 50.127 -1.710 -7.550 46 HA SER 9 HA SER 9 50.994 -4.435 -8.008 47 1HB SER 9 HB2 SER 9 52.983 -2.457 -7.403 48 2HB SER 9 HB1 SER 9 52.872 -3.574 -6.046 49 HG SER 9 HG SER 9 53.946 -4.896 -7.261 50 H GLN 10 HN GLN 10 51.681 -2.717 -4.966 51 HA GLN 10 HA GLN 10 49.083 -3.237 -3.786 52 1HB GLN 10 HB2 GLN 10 51.079 -5.350 -3.981 53 2HB GLN 10 HB1 GLN 10 50.616 -5.047 -2.307 54 1HG GLN 10 HG2 GLN 10 48.466 -5.763 -2.628 55 2HG GLN 10 HG1 GLN 10 48.395 -5.144 -4.278 56 1HE2 GLN 10 HE21 GLN 10 50.641 -6.450 -5.420 57 2HE2 GLN 10 HE22 GLN 10 50.373 -8.125 -5.409 58 H LEU 11 HN LEU 11 49.243 -1.287 -2.649 59 HA LEU 11 HA LEU 11 51.632 -0.839 -0.913 60 1HB LEU 11 HB2 LEU 11 50.816 0.907 -2.547 61 2HB LEU 11 HB1 LEU 11 49.317 0.997 -1.620 62 HG LEU 11 HG LEU 11 50.455 1.789 0.327 63 1HD1 LEU 11 HD1 LEU 11 52.938 0.934 -1.166 64 2HD1 LEU 11 HD1 LEU 11 52.395 0.427 0.433 65 3HD1 LEU 11 HD1 LEU 11 53.020 2.059 0.191 66 1HD2 LEU 11 HD2 LEU 11 50.349 3.772 -0.777 67 2HD2 LEU 11 HD2 LEU 11 50.988 3.077 -2.266 68 3HD2 LEU 11 HD2 LEU 11 52.090 3.577 -0.984 69 H SER 12 HN SER 12 51.135 -2.202 0.847 70 HA SER 12 HA SER 12 48.836 -2.921 2.102 71 1HB SER 12 HB2 SER 12 50.386 -3.594 3.595 72 2HB SER 12 HB1 SER 12 51.573 -2.599 2.758 73 HG SER 12 HG SER 12 51.492 -1.872 4.839 74 H ALA 13 HN ALA 13 47.149 -1.962 3.163 75 HA ALA 13 HA ALA 13 46.483 0.742 3.008 76 1HB ALA 13 HB1 ALA 13 45.837 -1.364 5.093 77 2HB ALA 13 HB2 ALA 13 44.925 -1.011 3.626 78 3HB ALA 13 HB3 ALA 13 44.964 0.161 4.944 79 H ASN 14 HN ASN 14 48.751 -0.777 5.174 80 HA ASN 14 HA ASN 14 48.794 1.573 6.990 81 1HB ASN 14 HB2 ASN 14 48.808 -0.533 8.079 82 2HB ASN 14 HB1 ASN 14 49.980 -1.202 6.944 83 1HD2 ASN 14 HD2 ASN 14 52.236 -0.176 7.040 84 2HD2 ASN 14 HD2 ASN 14 52.791 0.376 8.546 85 H SER 15 HN SER 15 50.275 0.713 4.087 86 HA SER 15 HA SER 15 53.004 1.527 4.660 87 1HB SER 15 HB2 SER 15 52.212 0.051 2.780 88 2HB SER 15 HB1 SER 15 51.498 1.471 2.022 89 HG SER 15 HG SER 15 54.221 1.311 2.803 90 H LYS 16 HN LYS 16 53.670 3.428 2.798 91 HA LYS 16 HA LYS 16 51.852 5.756 3.169 92 1HB LYS 16 HB2 LYS 16 54.090 5.135 4.820 93 2HB LYS 16 HB1 LYS 16 54.535 6.533 3.841 94 1HG LYS 16 HG2 LYS 16 53.289 7.840 5.178 95 2HG LYS 16 HG1 LYS 16 51.854 6.935 4.698 96 1HD LYS 16 HD2 LYS 16 52.804 5.177 6.457 97 2HD LYS 16 HD1 LYS 16 53.571 6.618 7.126 98 1HE LYS 16 HE2 LYS 16 51.261 7.725 7.049 99 2HE LYS 16 HE1 LYS 16 50.609 6.101 6.745 100 1HZ LYS 16 HZ1 LYS 16 52.513 6.644 8.946 101 2HZ LYS 16 HZ2 LYS 16 51.508 5.292 8.735 102 3HZ LYS 16 HZ3 LYS 16 50.838 6.794 9.164 103 H CYS 17 HN CYS 17 51.887 6.999 1.333 104 HA CYS 17 HA CYS 17 54.354 7.036 -0.349 105 1HB CYS 17 HB2 CYS 17 52.810 6.760 -2.342 106 2HB CYS 17 HB1 CYS 17 52.927 5.334 -1.312 107 H GLU 18 HN GLU 18 53.816 8.751 -2.242 108 HA GLU 18 HA GLU 18 51.994 10.878 -1.887 109 1HB GLU 18 HB2 GLU 18 54.034 10.677 0.137 110 2HB GLU 18 HB1 GLU 18 54.274 12.167 -0.773 111 1HG GLU 18 HG2 GLU 18 51.548 12.147 -0.443 112 2HG GLU 18 HG1 GLU 18 52.102 11.428 1.069 113 H LYS 19 HN LYS 19 55.497 11.390 -1.963 114 HA LYS 19 HA LYS 19 55.286 12.010 -4.892 115 1HB LYS 19 HB2 LYS 19 55.916 13.651 -2.652 116 2HB LYS 19 HB1 LYS 19 57.413 13.420 -3.555 117 1HG LYS 19 HG2 LYS 19 55.012 13.959 -5.202 118 2HG LYS 19 HG1 LYS 19 55.557 15.301 -4.194 119 1HD LYS 19 HD2 LYS 19 57.875 14.958 -5.111 120 2HD LYS 19 HD1 LYS 19 57.199 13.772 -6.229 121 1HE LYS 19 HE2 LYS 19 55.504 15.773 -6.760 122 2HE LYS 19 HE1 LYS 19 56.886 16.745 -6.214 123 1HZ LYS 19 HZ1 LYS 19 58.316 15.538 -7.720 124 2HZ LYS 19 HZ2 LYS 19 57.024 16.213 -8.594 125 3HZ LYS 19 HZ3 LYS 19 57.026 14.556 -8.221 126 H SER 20 HN SER 20 56.322 9.692 -2.979 127 HA SER 20 HA SER 20 59.164 9.500 -3.596 128 1HB SER 20 HB2 SER 20 57.707 7.051 -2.901 129 2HB SER 20 HB1 SER 20 59.019 7.851 -2.042 130 HG SER 20 HG SER 20 56.289 8.049 -1.724 131 H THR 21 HN THR 21 58.959 6.603 -4.244 132 HA THR 21 HA THR 21 57.712 6.553 -6.929 133 HB THR 21 HB THR 21 60.683 6.460 -6.355 134 HG1 THR 21 HG1 THR 21 59.388 7.937 -8.353 135 1HG2 THR 21 HG21 THR 21 59.848 4.629 -7.930 136 2HG2 THR 21 HG22 THR 21 61.067 5.719 -8.588 137 3HG2 THR 21 HG23 THR 21 59.371 5.928 -9.024 138 H LEU 22 HN LEU 22 56.491 4.779 -5.968 139 HA LEU 22 HA LEU 22 58.081 2.336 -5.285 140 1HB LEU 22 HB2 LEU 22 55.333 3.406 -4.659 141 2HB LEU 22 HB1 LEU 22 55.672 1.686 -4.473 142 HG LEU 22 HG LEU 22 56.021 3.115 -2.390 143 1HD1 LEU 22 HD1 LEU 22 58.594 2.099 -2.376 144 2HD1 LEU 22 HD1 LEU 22 57.787 1.113 -3.596 145 3HD1 LEU 22 HD1 LEU 22 57.138 1.196 -1.959 146 1HD2 LEU 22 HD2 LEU 22 57.902 4.558 -2.262 147 2HD2 LEU 22 HD2 LEU 22 57.145 4.961 -3.803 148 3HD2 LEU 22 HD2 LEU 22 58.581 3.938 -3.766 149 H THR 23 HN THR 23 58.479 1.687 -7.511 150 HA THR 23 HA THR 23 56.135 1.268 -9.278 151 HB THR 23 HB THR 23 59.059 0.657 -9.770 152 HG1 THR 23 HG1 THR 23 57.824 3.032 -9.347 153 1HG2 THR 23 HG21 THR 23 56.595 0.986 -11.429 154 2HG2 THR 23 HG22 THR 23 57.910 -0.177 -11.594 155 3HG2 THR 23 HG23 THR 23 58.140 1.493 -12.112 156 H ASN 24 HN ASN 24 55.330 -0.737 -9.820 157 HA ASN 24 HA ASN 24 54.779 -3.008 -9.359 158 1HB ASN 24 HB2 ASN 24 57.637 -2.790 -10.280 159 2HB ASN 24 HB1 ASN 24 56.949 -4.375 -9.929 160 1HD2 ASN 24 HD2 ASN 24 55.832 -1.386 -11.639 161 2HD2 ASN 24 HD2 ASN 24 55.198 -2.222 -12.974 162 H CYS 25 HN CYS 25 55.377 -1.625 -6.898 163 HA CYS 25 HA CYS 25 57.277 -3.251 -5.372 164 1HB CYS 25 HB2 CYS 25 56.088 -0.726 -5.194 165 2HB CYS 25 HB1 CYS 25 55.384 -1.625 -3.854 166 H TYR 26 HN TYR 26 55.667 -3.312 -2.975 167 HA TYR 26 HA TYR 26 53.228 -4.789 -3.212 168 1HB TYR 26 HB2 TYR 26 54.892 -6.352 -4.324 169 2HB TYR 26 HB1 TYR 26 55.746 -6.440 -2.789 170 HD1 TYR 26 HD1 TYR 26 52.659 -7.356 -4.589 171 HD2 TYR 26 HD2 TYR 26 54.810 -7.623 -0.880 172 HE1 TYR 26 HE1 TYR 26 51.115 -9.140 -3.821 173 HE2 TYR 26 HE2 TYR 26 53.266 -9.402 -0.112 174 HH TYR 26 HH TYR 26 50.657 -10.609 -2.218 175 H VAL 27 HN VAL 27 54.303 -2.729 -1.679 176 HA VAL 27 HA VAL 27 55.496 -3.270 0.789 177 HB VAL 27 HB VAL 27 53.238 -1.314 0.318 178 1HG1 VAL 27 HG11 VAL 27 53.904 -0.964 2.496 179 2HG1 VAL 27 HG12 VAL 27 55.107 0.036 1.681 180 3HG1 VAL 27 HG13 VAL 27 55.528 -1.592 2.212 181 1HG2 VAL 27 HG21 VAL 27 55.325 0.155 -0.389 182 2HG2 VAL 27 HG22 VAL 27 54.527 -0.878 -1.578 183 3HG2 VAL 27 HG23 VAL 27 56.024 -1.410 -0.806 184 H ASP 28 HN ASP 28 54.698 -3.728 2.864 185 HA ASP 28 HA ASP 28 51.870 -4.704 3.061 186 1HB ASP 28 HB2 ASP 28 54.331 -6.159 3.166 187 2HB ASP 28 HB1 ASP 28 53.632 -6.172 4.786 188 H LYS 29 HN LYS 29 54.673 -3.222 4.592 189 HA LYS 29 HA LYS 29 53.033 -1.777 6.508 190 1HB LYS 29 HB2 LYS 29 54.175 -4.391 7.155 191 2HB LYS 29 HB1 LYS 29 54.743 -3.138 8.256 192 1HG LYS 29 HG2 LYS 29 52.512 -2.526 8.869 193 2HG LYS 29 HG1 LYS 29 51.818 -3.491 7.568 194 1HD LYS 29 HD2 LYS 29 53.210 -4.485 10.064 195 2HD LYS 29 HD1 LYS 29 51.539 -4.766 9.578 196 1HE LYS 29 HE2 LYS 29 52.602 -5.874 7.452 197 2HE LYS 29 HE1 LYS 29 54.055 -5.990 8.463 198 1HZ LYS 29 HZ1 LYS 29 52.254 -6.761 10.216 199 2HZ LYS 29 HZ2 LYS 29 52.999 -7.862 9.159 200 3HZ LYS 29 HZ3 LYS 29 51.447 -7.266 8.811 201 H SER 30 HN SER 30 54.515 -0.385 4.944 202 HA SER 30 HA SER 30 57.036 0.213 6.435 203 1HB SER 30 HB2 SER 30 58.243 0.250 4.333 204 2HB SER 30 HB1 SER 30 57.411 -1.294 4.465 205 HG SER 30 HG SER 30 57.135 0.693 2.656 206 H GLU 31 HN GLU 31 57.972 2.310 5.724 207 HA GLU 31 HA GLU 31 55.873 4.271 4.849 208 1HB GLU 31 HB2 GLU 31 57.585 4.068 7.232 209 2HB GLU 31 HB1 GLU 31 57.728 5.630 6.424 210 1HG GLU 31 HG2 GLU 31 55.404 6.071 6.631 211 2HG GLU 31 HG1 GLU 31 55.043 4.391 7.031 212 H VAL 32 HN VAL 32 56.531 4.904 2.808 213 HA VAL 32 HA VAL 32 59.474 5.111 2.295 214 HB VAL 32 HB VAL 32 57.187 4.860 0.329 215 1HG1 VAL 32 HG11 VAL 32 59.023 5.410 -0.952 216 2HG1 VAL 32 HG12 VAL 32 59.284 3.670 -0.833 217 3HG1 VAL 32 HG13 VAL 32 60.169 4.768 0.227 218 1HG2 VAL 32 HG21 VAL 32 58.091 2.950 2.261 219 2HG2 VAL 32 HG22 VAL 32 58.657 2.417 0.677 220 3HG2 VAL 32 HG23 VAL 32 56.938 2.702 0.948 221 H TYR 33 HN TYR 33 60.278 6.989 1.244 222 HA TYR 33 HA TYR 33 58.356 9.283 1.036 223 1HB TYR 33 HB2 TYR 33 61.075 9.017 2.320 224 2HB TYR 33 HB1 TYR 33 60.439 10.595 1.859 225 HD1 TYR 33 HD1 TYR 33 59.918 7.643 4.031 226 HD2 TYR 33 HD2 TYR 33 58.581 11.600 3.027 227 HE1 TYR 33 HE1 TYR 33 58.543 7.701 6.094 228 HE2 TYR 33 HE2 TYR 33 57.205 11.657 5.090 229 HH TYR 33 HH TYR 33 57.202 10.545 7.326 230 H GLY 34 HN GLY 34 61.174 7.624 -0.276 231 1HA GLY 34 HA2 GLY 34 60.799 8.896 -2.857 232 2HA GLY 34 HA1 GLY 34 62.236 9.507 -2.036 233 H THR 35 HN THR 35 61.057 6.207 -1.692 234 HA THR 35 HA THR 35 63.668 5.161 -2.535 235 HB THR 35 HB THR 35 61.058 4.010 -1.542 236 HG1 THR 35 HG1 THR 35 63.308 4.907 -0.434 237 1HG2 THR 35 HG21 THR 35 63.296 2.654 -2.909 238 2HG2 THR 35 HG22 THR 35 61.623 2.135 -2.698 239 3HG2 THR 35 HG23 THR 35 62.788 1.917 -1.390 240 H THR 36 HN THR 36 64.047 3.919 -4.403 241 HA THR 36 HA THR 36 62.004 4.195 -6.559 242 HB THR 36 HB THR 36 64.885 3.298 -6.783 243 HG1 THR 36 HG1 THR 36 65.423 5.454 -6.968 244 1HG2 THR 36 HG21 THR 36 62.708 4.102 -8.601 245 2HG2 THR 36 HG22 THR 36 64.122 3.094 -8.913 246 3HG2 THR 36 HG23 THR 36 64.266 4.852 -8.949 247 H CYS 37 HN CYS 37 60.697 2.408 -5.749 248 HA CYS 37 HA CYS 37 61.772 -0.252 -5.352 249 1HB CYS 37 HB2 CYS 37 59.707 0.752 -4.344 250 2HB CYS 37 HB1 CYS 37 58.953 0.706 -5.934 251 H THR 38 HN THR 38 62.811 -1.071 -7.204 252 HA THR 38 HA THR 38 61.508 -0.872 -9.854 253 HB THR 38 HB THR 38 63.922 -0.573 -9.655 254 HG1 THR 38 HG1 THR 38 63.711 -1.557 -11.514 255 1HG2 THR 38 HG21 THR 38 63.748 -3.216 -8.214 256 2HG2 THR 38 HG22 THR 38 64.494 -1.713 -7.669 257 3HG2 THR 38 HG23 THR 38 65.259 -2.665 -8.939 258 H GLY 39 HN GLY 39 60.297 -2.491 -7.598 259 1HA GLY 39 HA2 GLY 39 58.853 -4.434 -8.187 260 2HA GLY 39 HA1 GLY 39 60.246 -5.123 -9.022 261 H SER 40 HN SER 40 59.485 -3.837 -5.777 262 HA SER 40 HA SER 40 60.691 -6.293 -4.578 263 1HB SER 40 HB2 SER 40 62.472 -4.716 -4.510 264 2HB SER 40 HB1 SER 40 61.385 -3.383 -4.131 265 HG SER 40 HG SER 40 62.633 -4.273 -2.332 266 H ARG 41 HN ARG 41 60.305 -5.858 -1.952 267 HA ARG 41 HA ARG 41 57.656 -4.613 -1.501 268 1HB ARG 41 HB2 ARG 41 56.554 -6.641 -0.978 269 2HB ARG 41 HB1 ARG 41 57.480 -7.028 -2.426 270 1HG ARG 41 HG2 ARG 41 59.346 -7.708 -0.685 271 2HG ARG 41 HG1 ARG 41 57.974 -7.855 0.413 272 1HD ARG 41 HD2 ARG 41 56.966 -9.560 -0.875 273 2HD ARG 41 HD1 ARG 41 57.928 -9.162 -2.314 274 HE ARG 41 HE ARG 41 59.674 -9.832 -0.131 275 1HH1 ARG 41 HH1 ARG 41 57.091 -11.667 -1.103 276 2HH1 ARG 41 HH1 ARG 41 58.014 -13.000 -1.712 277 1HH2 ARG 41 HH2 ARG 41 61.051 -11.343 -1.484 278 2HH2 ARG 41 HH2 ARG 41 60.258 -12.817 -1.927 279 H PHE 42 HN PHE 42 57.180 -4.372 0.764 280 HA PHE 42 HA PHE 42 59.527 -4.866 2.570 281 1HB PHE 42 HB2 PHE 42 57.434 -2.703 2.883 282 2HB PHE 42 HB1 PHE 42 59.047 -2.768 3.591 283 HD1 PHE 42 HD1 PHE 42 57.347 -0.874 1.430 284 HD2 PHE 42 HD2 PHE 42 60.789 -3.444 1.377 285 HE1 PHE 42 HE1 PHE 42 58.246 0.372 -0.513 286 HE2 PHE 42 HE2 PHE 42 61.687 -2.197 -0.570 287 HZ PHE 42 HZ PHE 42 60.413 -0.291 -1.514 288 H ASP 43 HN ASP 43 58.339 -4.406 4.985 289 HA ASP 43 HA ASP 43 55.719 -5.487 5.363 290 1HB ASP 43 HB2 ASP 43 57.369 -7.382 4.400 291 2HB ASP 43 HB1 ASP 43 57.738 -7.548 6.117 292 H GLY 44 HN GLY 44 56.625 -3.400 6.618 293 1HA GLY 44 HA2 GLY 44 56.431 -2.888 9.010 294 2HA GLY 44 HA1 GLY 44 57.321 -4.376 9.345 295 H VAL 45 HN VAL 45 57.893 -1.475 7.285 296 HA VAL 45 HA VAL 45 60.518 -1.172 8.684 297 HB VAL 45 HB VAL 45 61.729 -1.303 6.689 298 1HG1 VAL 45 HG11 VAL 45 60.844 -3.508 7.081 299 2HG1 VAL 45 HG12 VAL 45 60.787 -3.207 5.343 300 3HG1 VAL 45 HG13 VAL 45 59.317 -3.086 6.304 301 1HG2 VAL 45 HG21 VAL 45 59.828 -1.329 4.569 302 2HG2 VAL 45 HG22 VAL 45 61.069 -0.121 4.893 303 3HG2 VAL 45 HG23 VAL 45 59.462 0.062 5.581 304 H THR 46 HN THR 46 61.423 0.907 6.963 305 HA THR 46 HA THR 46 59.411 3.001 6.728 306 HB THR 46 HB THR 46 61.421 3.027 9.007 307 HG1 THR 46 HG1 THR 46 59.388 3.249 10.187 308 1HG2 THR 46 HG21 THR 46 61.216 5.262 9.079 309 2HG2 THR 46 HG22 THR 46 59.457 5.143 9.040 310 3HG2 THR 46 HG23 THR 46 60.370 5.185 7.533 311 H ILE 47 HN ILE 47 61.058 2.221 4.724 312 HA ILE 47 HA ILE 47 63.643 3.562 4.745 313 HB ILE 47 HB ILE 47 63.104 1.545 3.410 314 1HG1 ILE 47 HG12 ILE 47 63.692 3.944 1.648 315 2HG1 ILE 47 HG11 ILE 47 64.881 3.161 2.687 316 1HG2 ILE 47 HG21 ILE 47 60.782 2.012 2.863 317 2HG2 ILE 47 HG22 ILE 47 61.691 1.860 1.359 318 3HG2 ILE 47 HG23 ILE 47 61.246 3.455 1.962 319 1HD1 ILE 47 HD1 ILE 47 63.526 1.167 1.112 320 2HD1 ILE 47 HD1 ILE 47 65.243 1.569 1.141 321 3HD1 ILE 47 HD1 ILE 47 64.154 2.427 0.051 322 H THR 48 HN THR 48 64.180 5.352 3.214 323 HA THR 48 HA THR 48 61.844 7.147 2.663 324 HB THR 48 HB THR 48 63.398 8.999 3.452 325 HG1 THR 48 HG1 THR 48 65.336 8.483 4.048 326 1HG2 THR 48 HG21 THR 48 61.685 8.280 4.947 327 2HG2 THR 48 HG22 THR 48 63.173 8.335 5.894 328 3HG2 THR 48 HG23 THR 48 62.547 6.787 5.324 329 H THR 49 HN THR 49 64.219 9.074 1.868 330 HA THR 49 HA THR 49 64.116 8.575 -0.955 331 HB THR 49 HB THR 49 66.031 10.194 0.756 332 HG1 THR 49 HG1 THR 49 63.767 11.086 -0.670 333 1HG2 THR 49 HG21 THR 49 66.254 11.543 -1.361 334 2HG2 THR 49 HG22 THR 49 65.383 10.260 -2.201 335 3HG2 THR 49 HG23 THR 49 66.950 9.926 -1.460 336 H SER 50 HN SER 50 64.814 6.122 -0.421 337 HA SER 50 HA SER 50 67.788 5.992 -0.811 338 1HB SER 50 HB2 SER 50 67.445 5.172 1.356 339 2HB SER 50 HB1 SER 50 65.878 4.478 0.950 340 HG SER 50 HG SER 50 68.461 3.499 0.519 341 H THR 51 HN THR 51 68.468 4.653 -2.481 342 HA THR 51 HA THR 51 66.382 3.547 -4.271 343 HB THR 51 HB THR 51 69.252 3.183 -4.879 344 HG1 THR 51 HG1 THR 51 68.175 5.795 -4.682 345 1HG2 THR 51 HG21 THR 51 67.648 2.910 -6.632 346 2HG2 THR 51 HG22 THR 51 68.468 4.438 -6.950 347 3HG2 THR 51 HG23 THR 51 66.856 4.435 -6.235 348 H SER 52 HN SER 52 66.236 1.297 -4.757 349 HA SER 52 HA SER 52 68.098 -0.584 -3.416 350 1HB SER 52 HB2 SER 52 65.895 0.309 -2.083 351 2HB SER 52 HB1 SER 52 65.221 -1.092 -2.909 352 HG SER 52 HG SER 52 67.183 -2.196 -2.075 353 H THR 53 HN THR 53 68.392 -2.344 -4.758 354 HA THR 53 HA THR 53 66.350 -2.794 -6.913 355 HB THR 53 HB THR 53 69.054 -3.950 -7.177 356 HG1 THR 53 HG1 THR 53 68.658 -1.141 -7.124 357 1HG2 THR 53 HG21 THR 53 67.174 -2.282 -8.850 358 2HG2 THR 53 HG22 THR 53 67.664 -3.958 -9.100 359 3HG2 THR 53 HG23 THR 53 68.813 -2.651 -9.383 360 H GLY 54 HN GLY 54 65.081 -4.525 -6.313 361 1HA GLY 54 HA2 GLY 54 64.484 -6.634 -5.463 362 2HA GLY 54 HA1 GLY 54 66.041 -7.159 -6.111 363 H SER 55 HN SER 55 64.529 -5.664 -3.261 364 HA SER 55 HA SER 55 66.530 -7.057 -1.557 365 1HB SER 55 HB2 SER 55 66.834 -4.817 -0.356 366 2HB SER 55 HB1 SER 55 67.564 -4.937 -1.954 367 HG SER 55 HG SER 55 65.652 -3.932 -2.773 368 H ARG 56 HN ARG 56 65.542 -7.810 0.302 369 HA ARG 56 HA ARG 56 62.684 -7.182 0.718 370 1HB ARG 56 HB2 ARG 56 64.373 -9.405 0.986 371 2HB ARG 56 HB1 ARG 56 63.967 -8.950 2.641 372 1HG ARG 56 HG2 ARG 56 61.669 -9.249 2.302 373 2HG ARG 56 HG1 ARG 56 61.810 -9.092 0.551 374 1HD ARG 56 HD2 ARG 56 62.618 -11.282 0.286 375 2HD ARG 56 HD1 ARG 56 63.165 -11.384 1.972 376 HE ARG 56 HE ARG 56 60.511 -11.039 2.348 377 1HH1 ARG 56 HH1 ARG 56 62.482 -13.372 0.838 378 2HH1 ARG 56 HH1 ARG 56 61.178 -14.439 0.437 379 1HH2 ARG 56 HH2 ARG 56 58.709 -12.267 1.539 380 2HH2 ARG 56 HH2 ARG 56 59.043 -13.813 0.833 381 H ILE 57 HN ILE 57 62.365 -5.285 1.872 382 HA ILE 57 HA ILE 57 64.243 -4.492 4.012 383 HB ILE 57 HB ILE 57 61.639 -3.242 3.074 384 1HG1 ILE 57 HG12 ILE 57 63.008 -3.439 1.121 385 2HG1 ILE 57 HG11 ILE 57 63.237 -1.790 1.700 386 1HG2 ILE 57 HG21 ILE 57 62.825 -1.149 3.869 387 2HG2 ILE 57 HG22 ILE 57 64.055 -2.197 4.576 388 3HG2 ILE 57 HG23 ILE 57 62.390 -2.278 5.150 389 1HD1 ILE 57 HD1 ILE 57 65.130 -4.102 1.762 390 2HD1 ILE 57 HD1 ILE 57 65.213 -2.928 3.077 391 3HD1 ILE 57 HD1 ILE 57 65.446 -2.403 1.410 392 H SER 58 HN SER 58 61.654 -6.584 3.811 393 HA SER 58 HA SER 58 59.849 -6.150 5.853 394 1HB SER 58 HB2 SER 58 61.300 -8.488 4.729 395 2HB SER 58 HB1 SER 58 60.447 -8.761 6.244 396 HG SER 58 HG SER 58 59.396 -8.790 3.902 397 H GLY 59 HN GLY 59 59.829 -6.458 8.151 398 1HA GLY 59 HA2 GLY 59 61.773 -7.539 9.797 399 2HA GLY 59 HA1 GLY 59 62.361 -5.907 9.486 400 HA PRO 60 HA PRO 60 58.878 -6.049 12.723 401 1HB PRO 60 HB2 PRO 60 60.332 -6.334 15.027 402 2HB PRO 60 HB1 PRO 60 59.648 -7.712 14.140 403 1HG PRO 60 HG2 PRO 60 62.438 -6.679 14.172 404 2HG PRO 60 HG1 PRO 60 61.851 -8.349 14.111 405 1HD PRO 60 HD2 PRO 60 62.783 -6.982 11.932 406 2HD PRO 60 HD1 PRO 60 61.615 -8.318 11.838 407 H GLY 61 HN GLY 61 61.675 -4.421 11.888 408 1HA GLY 61 HA2 GLY 61 60.735 -1.864 12.729 409 2HA GLY 61 HA1 GLY 61 61.979 -2.412 13.857 410 H CYS 62 HN CYS 62 61.910 -3.226 10.425 411 HA CYS 62 HA CYS 62 64.652 -2.489 10.016 412 1HB CYS 62 HB2 CYS 62 62.842 -4.015 8.740 413 2HB CYS 62 HB1 CYS 62 62.703 -2.560 7.755 414 H LYS 63 HN LYS 63 65.525 -0.502 9.562 415 HA LYS 63 HA LYS 63 63.709 1.618 8.472 416 1HB LYS 63 HB2 LYS 63 63.942 1.870 10.910 417 2HB LYS 63 HB1 LYS 63 65.700 1.852 10.753 418 1HG LYS 63 HG2 LYS 63 65.389 3.832 9.129 419 2HG LYS 63 HG1 LYS 63 63.758 3.951 9.790 420 1HD LYS 63 HD2 LYS 63 64.497 4.652 11.855 421 2HD LYS 63 HD1 LYS 63 66.011 3.755 11.735 422 1HE LYS 63 HE2 LYS 63 65.557 6.036 9.836 423 2HE LYS 63 HE1 LYS 63 66.032 6.396 11.508 424 1HZ LYS 63 HZ1 LYS 63 67.528 5.056 9.411 425 2HZ LYS 63 HZ2 LYS 63 67.633 4.337 10.948 426 3HZ LYS 63 HZ3 LYS 63 68.088 5.959 10.732 427 H ILE 64 HN ILE 64 64.601 2.469 6.646 428 HA ILE 64 HA ILE 64 67.586 2.440 6.376 429 HB ILE 64 HB ILE 64 65.366 1.729 4.458 430 1HG1 ILE 64 HG12 ILE 64 67.849 0.158 4.560 431 2HG1 ILE 64 HG11 ILE 64 66.993 0.217 6.102 432 1HG2 ILE 64 HG21 ILE 64 67.324 1.532 2.781 433 2HG2 ILE 64 HG22 ILE 64 68.196 2.605 3.875 434 3HG2 ILE 64 HG23 ILE 64 66.702 3.149 3.112 435 1HD1 ILE 64 HD1 ILE 64 64.892 -0.406 4.877 436 2HD1 ILE 64 HD1 ILE 64 66.131 -1.661 4.848 437 3HD1 ILE 64 HD1 ILE 64 65.869 -0.644 3.430 438 H SER 65 HN SER 65 68.481 4.318 5.406 439 HA SER 65 HA SER 65 66.578 6.463 4.561 440 1HB SER 65 HB2 SER 65 67.510 8.011 6.109 441 2HB SER 65 HB1 SER 65 67.266 6.534 7.039 442 HG SER 65 HG SER 65 69.663 7.509 5.873 443 H THR 66 HN THR 66 67.280 7.312 2.661 444 HA THR 66 HA THR 66 68.706 7.612 0.786 445 HB THR 66 HB THR 66 70.500 8.559 3.036 446 HG1 THR 66 HG1 THR 66 68.563 10.104 1.703 447 1HG2 THR 66 HG21 THR 66 71.635 9.740 1.447 448 2HG2 THR 66 HG22 THR 66 70.180 10.050 0.499 449 3HG2 THR 66 HG23 THR 66 71.002 8.494 0.369 450 H CYS 67 HN CYS 67 69.095 5.320 0.333 451 HA CYS 67 HA CYS 67 71.949 4.606 0.678 452 1HB CYS 67 HB2 CYS 67 70.333 3.753 2.603 453 2HB CYS 67 HB1 CYS 67 69.895 2.540 1.407 454 H ILE 68 HN ILE 68 72.386 4.356 -1.511 455 HA ILE 68 HA ILE 68 70.417 3.300 -3.378 456 HB ILE 68 HB ILE 68 73.403 3.822 -3.500 457 1HG1 ILE 68 HG12 ILE 68 72.668 5.666 -5.000 458 2HG1 ILE 68 HG11 ILE 68 70.988 5.206 -4.719 459 1HG2 ILE 68 HG21 ILE 68 71.520 3.018 -5.737 460 2HG2 ILE 68 HG22 ILE 68 72.737 1.963 -5.019 461 3HG2 ILE 68 HG23 ILE 68 73.234 3.402 -5.911 462 1HD1 ILE 68 HD1 ILE 68 72.865 5.895 -2.452 463 2HD1 ILE 68 HD1 ILE 68 71.103 5.801 -2.417 464 3HD1 ILE 68 HD1 ILE 68 71.897 7.118 -3.276 465 H ILE 69 HN ILE 69 69.838 1.284 -2.374 466 HA ILE 69 HA ILE 69 71.929 -0.745 -1.971 467 HB ILE 69 HB ILE 69 68.919 -0.961 -1.705 468 1HG1 ILE 69 HG12 ILE 69 70.533 -0.422 0.719 469 2HG1 ILE 69 HG11 ILE 69 70.434 0.930 -0.403 470 1HG2 ILE 69 HG21 ILE 69 70.660 -2.959 -1.580 471 2HG2 ILE 69 HG22 ILE 69 69.322 -2.859 -0.438 472 3HG2 ILE 69 HG23 ILE 69 70.932 -2.324 0.043 473 1HD1 ILE 69 HD1 ILE 69 67.835 -0.029 -0.355 474 2HD1 ILE 69 HD1 ILE 69 68.430 1.369 0.540 475 3HD1 ILE 69 HD1 ILE 69 68.363 -0.211 1.318 476 H THR 70 HN THR 70 71.856 -2.828 -3.063 477 HA THR 70 HA THR 70 70.129 -3.118 -5.448 478 HB THR 70 HB THR 70 73.125 -2.677 -5.488 479 HG1 THR 70 HG1 THR 70 70.918 -1.448 -6.774 480 1HG2 THR 70 HG21 THR 70 72.498 -4.621 -6.908 481 2HG2 THR 70 HG22 THR 70 73.074 -3.250 -7.858 482 3HG2 THR 70 HG23 THR 70 71.348 -3.594 -7.764 483 H GLY 71 HN GLY 71 69.426 -5.175 -4.765 484 1HA GLY 71 HA2 GLY 71 69.701 -7.556 -4.867 485 2HA GLY 71 HA1 GLY 71 71.451 -7.325 -4.863 486 H GLY 72 HN GLY 72 69.445 -5.656 -2.559 487 1HA GLY 72 HA2 GLY 72 69.061 -6.103 -0.265 488 2HA GLY 72 HA1 GLY 72 69.868 -7.654 -0.457 489 H VAL 73 HN VAL 73 71.551 -5.004 -1.767 490 HA VAL 73 HA VAL 73 73.338 -4.870 0.652 491 HB VAL 73 HB VAL 73 75.201 -4.957 -0.881 492 1HG1 VAL 73 HG11 VAL 73 73.028 -6.907 -1.708 493 2HG1 VAL 73 HG12 VAL 73 74.240 -7.154 -0.451 494 3HG1 VAL 73 HG13 VAL 73 74.728 -7.077 -2.144 495 1HG2 VAL 73 HG21 VAL 73 74.448 -5.219 -3.421 496 2HG2 VAL 73 HG22 VAL 73 74.654 -3.622 -2.699 497 3HG2 VAL 73 HG23 VAL 73 73.039 -4.317 -2.850 498 HA PRO 74 HA PRO 74 72.597 -0.517 -0.017 499 1HB PRO 74 HB2 PRO 74 74.128 0.398 2.050 500 2HB PRO 74 HB1 PRO 74 72.524 -0.316 2.286 501 1HG PRO 74 HG2 PRO 74 75.197 -1.466 2.790 502 2HG PRO 74 HG1 PRO 74 73.657 -1.794 3.594 503 1HD PRO 74 HD2 PRO 74 74.895 -3.406 1.668 504 2HD PRO 74 HD1 PRO 74 73.211 -3.536 2.219 505 H ALA 75 HN ALA 75 73.783 1.206 -0.973 506 HA ALA 75 HA ALA 75 76.510 0.502 -1.920 507 1HB ALA 75 HB1 ALA 75 76.025 2.636 -3.299 508 2HB ALA 75 HB2 ALA 75 74.402 2.551 -2.618 509 3HB ALA 75 HB3 ALA 75 75.006 1.231 -3.618 510 HA PRO 76 HA PRO 76 78.412 3.205 0.984 511 1HB PRO 76 HB2 PRO 76 80.701 3.816 -0.386 512 2HB PRO 76 HB1 PRO 76 80.421 2.239 0.380 513 1HG PRO 76 HG2 PRO 76 80.169 3.023 -2.479 514 2HG PRO 76 HG1 PRO 76 80.778 1.521 -1.770 515 1HD PRO 76 HD2 PRO 76 78.283 1.778 -2.850 516 2HD PRO 76 HD1 PRO 76 78.687 0.615 -1.568 517 H SER 77 HN SER 77 77.535 5.226 1.270 518 HA SER 77 HA SER 77 78.019 7.270 -0.865 519 1HB SER 77 HB2 SER 77 75.643 6.127 -0.570 520 2HB SER 77 HB1 SER 77 75.507 7.259 0.774 521 HG SER 77 HG SER 77 76.200 7.939 -1.898 522 H ALA 78 HN ALA 78 78.531 6.394 2.313 523 HA ALA 78 HA ALA 78 79.384 7.627 4.144 524 1HB ALA 78 HB1 ALA 78 80.469 9.626 3.564 525 2HB ALA 78 HB2 ALA 78 79.223 10.072 2.398 526 3HB ALA 78 HB3 ALA 78 80.374 8.794 2.012 527 H ALA 79 HN ALA 79 76.369 7.882 2.922 528 HA ALA 79 HA ALA 79 75.500 9.770 5.081 529 1HB ALA 79 HB1 ALA 79 75.118 11.093 3.232 530 2HB ALA 79 HB2 ALA 79 73.624 10.156 3.185 531 3HB ALA 79 HB3 ALA 79 74.978 9.709 2.146 532 H CYS 80 HN CYS 80 74.767 6.949 3.064 533 HA CYS 80 HA CYS 80 72.167 6.337 4.006 534 1HB CYS 80 HB2 CYS 80 72.924 5.088 2.182 535 2HB CYS 80 HB1 CYS 80 74.515 4.836 2.882 536 H LYS 81 HN LYS 81 71.462 4.951 5.714 537 HA LYS 81 HA LYS 81 73.347 4.850 8.024 538 1HB LYS 81 HB2 LYS 81 71.529 5.475 9.243 539 2HB LYS 81 HB1 LYS 81 70.766 5.819 7.695 540 1HG LYS 81 HG2 LYS 81 70.639 3.124 9.080 541 2HG LYS 81 HG1 LYS 81 69.381 4.352 9.200 542 1HD LYS 81 HD2 LYS 81 68.519 3.718 7.232 543 2HD LYS 81 HD1 LYS 81 70.070 3.956 6.435 544 1HE LYS 81 HE2 LYS 81 70.546 1.603 7.756 545 2HE LYS 81 HE1 LYS 81 68.822 1.436 7.371 546 1HZ LYS 81 HZ1 LYS 81 69.709 2.516 5.121 547 2HZ LYS 81 HZ2 LYS 81 69.638 0.837 5.366 548 3HZ LYS 81 HZ3 LYS 81 71.106 1.667 5.576 549 H ILE 82 HN ILE 82 72.774 2.905 9.516 550 HA ILE 82 HA ILE 82 71.955 0.434 8.130 551 HB ILE 82 HB ILE 82 74.768 0.907 9.183 552 1HG1 ILE 82 HG12 ILE 82 74.384 1.889 6.939 553 2HG1 ILE 82 HG11 ILE 82 75.471 0.510 6.857 554 1HG2 ILE 82 HG21 ILE 82 74.534 -1.323 9.644 555 2HG2 ILE 82 HG22 ILE 82 74.890 -1.471 7.923 556 3HG2 ILE 82 HG23 ILE 82 73.221 -1.532 8.486 557 1HD1 ILE 82 HD1 ILE 82 72.500 0.202 6.410 558 2HD1 ILE 82 HD1 ILE 82 73.793 -0.909 5.965 559 3HD1 ILE 82 HD1 ILE 82 73.599 0.614 5.096 560 H SER 83 HN SER 83 70.944 1.910 10.414 561 HA SER 83 HA SER 83 71.850 0.974 12.934 562 1HB SER 83 HB2 SER 83 69.145 1.828 11.874 563 2HB SER 83 HB1 SER 83 69.472 1.580 13.586 564 HG SER 83 HG SER 83 70.107 3.665 11.979 565 H GLY 84 HN GLY 84 68.586 -0.016 12.536 566 1HA GLY 84 HA2 GLY 84 69.455 -2.876 12.621 567 2HA GLY 84 HA1 GLY 84 68.083 -2.251 13.536 568 H CYS 85 HN CYS 85 69.198 -3.150 10.319 569 HA CYS 85 HA CYS 85 66.354 -3.426 9.523 570 1HB CYS 85 HB2 CYS 85 67.620 -1.150 8.917 571 2HB CYS 85 HB1 CYS 85 68.239 -2.129 7.591 572 H THR 86 HN THR 86 67.199 -3.809 6.714 573 HA THR 86 HA THR 86 69.223 -5.729 6.317 574 HB THR 86 HB THR 86 68.325 -7.239 7.849 575 HG1 THR 86 HG1 THR 86 66.571 -8.057 5.875 576 1HG2 THR 86 HG21 THR 86 65.740 -5.911 7.155 577 2HG2 THR 86 HG22 THR 86 66.405 -6.314 8.738 578 3HG2 THR 86 HG23 THR 86 65.669 -7.571 7.745 579 H PHE 87 HN PHE 87 69.217 -6.347 4.130 580 HA PHE 87 HA PHE 87 66.800 -5.501 2.559 581 1HB PHE 87 HB2 PHE 87 69.635 -5.702 1.549 582 2HB PHE 87 HB1 PHE 87 68.301 -4.789 0.854 583 HD1 PHE 87 HD1 PHE 87 67.317 -3.732 3.637 584 HD2 PHE 87 HD2 PHE 87 71.140 -3.807 1.664 585 HE1 PHE 87 HE1 PHE 87 68.028 -1.746 4.950 586 HE2 PHE 87 HE2 PHE 87 71.842 -1.831 2.984 587 HZ PHE 87 HZ PHE 87 70.293 -0.796 4.616 588 H SER 88 HN SER 88 68.995 -8.107 3.279 589 HA SER 88 HA SER 88 69.184 -10.291 2.368 590 1HB SER 88 HB2 SER 88 66.355 -9.448 2.595 591 2HB SER 88 HB1 SER 88 66.627 -10.865 1.584 592 HG SER 88 HG SER 88 66.913 -10.527 4.306 593 H ALA 89 HN ALA 89 66.517 -9.608 0.211 594 HA ALA 89 HA ALA 89 67.552 -8.533 -2.097 595 1HB ALA 89 HB1 ALA 89 69.357 -9.837 -2.545 596 2HB ALA 89 HB2 ALA 89 68.188 -11.055 -3.061 597 3HB ALA 89 HB3 ALA 89 68.829 -11.090 -1.418 598 H ASN 90 HN ASN 90 65.018 -8.567 -1.502 599 HA ASN 90 HA ASN 90 63.481 -10.879 -2.267 600 1HB ASN 90 HB2 ASN 90 61.920 -9.567 -1.294 601 2HB ASN 90 HB1 ASN 90 63.093 -8.262 -1.201 602 1HD2 ASN 90 HD2 ASN 90 60.038 -8.686 -2.122 603 2HD2 ASN 90 HD2 ASN 90 59.946 -7.668 -3.477 Start of MODEL 3 1 1H ASP 1 HT1 ASP 1 46.630 5.434 -1.526 2 2H ASP 1 HT2 ASP 1 48.285 5.073 -1.636 3 3H ASP 1 HT3 ASP 1 47.575 6.158 -2.733 4 HA ASP 1 HA ASP 1 47.031 7.615 -0.751 5 1HB ASP 1 HB2 ASP 1 48.892 5.515 0.399 6 2HB ASP 1 HB1 ASP 1 48.526 7.037 1.213 7 H GLY 2 HN GLY 2 48.796 9.202 -0.046 8 1HA GLY 2 HA2 GLY 2 50.474 10.664 -0.833 9 2HA GLY 2 HA1 GLY 2 51.462 9.204 -0.776 10 H SER 3 HN SER 3 52.559 10.242 -2.667 11 HA SER 3 HA SER 3 51.161 9.484 -5.203 12 1HB SER 3 HB2 SER 3 52.417 12.084 -4.359 13 2HB SER 3 HB1 SER 3 52.403 11.641 -6.064 14 HG SER 3 HG SER 3 50.199 11.929 -4.300 15 H CYS 4 HN CYS 4 52.447 8.016 -6.237 16 HA CYS 4 HA CYS 4 55.293 8.494 -6.641 17 1HB CYS 4 HB2 CYS 4 55.855 6.279 -5.412 18 2HB CYS 4 HB1 CYS 4 55.533 7.700 -4.422 19 H THR 5 HN THR 5 54.655 5.149 -6.423 20 HA THR 5 HA THR 5 53.390 4.917 -9.060 21 HB THR 5 HB THR 5 56.181 3.838 -8.691 22 HG1 THR 5 HG1 THR 5 55.805 6.111 -10.209 23 1HG2 THR 5 HG21 THR 5 56.117 3.470 -11.001 24 2HG2 THR 5 HG22 THR 5 54.850 4.670 -11.253 25 3HG2 THR 5 HG23 THR 5 54.456 3.112 -10.522 26 H ASN 6 HN ASN 6 54.048 3.652 -5.973 27 HA ASN 6 HA ASN 6 54.135 0.864 -6.322 28 1HB ASN 6 HB2 ASN 6 53.293 0.788 -4.096 29 2HB ASN 6 HB1 ASN 6 54.101 2.350 -4.188 30 1HD2 ASN 6 HD2 ASN 6 50.831 0.910 -4.706 31 2HD2 ASN 6 HD2 ASN 6 49.983 2.270 -4.147 32 H THR 7 HN THR 7 51.667 3.181 -7.046 33 HA THR 7 HA THR 7 49.245 1.866 -7.103 34 HB THR 7 HB THR 7 50.749 3.688 -8.970 35 HG1 THR 7 HG1 THR 7 48.401 3.933 -7.391 36 1HG2 THR 7 HG21 THR 7 49.387 2.508 -10.545 37 2HG2 THR 7 HG22 THR 7 48.531 4.010 -10.195 38 3HG2 THR 7 HG23 THR 7 48.005 2.500 -9.450 39 H ASN 8 HN ASN 8 51.559 1.802 -9.835 40 HA ASN 8 HA ASN 8 50.388 -0.322 -11.285 41 1HB ASN 8 HB2 ASN 8 53.095 0.929 -10.996 42 2HB ASN 8 HB1 ASN 8 52.977 -0.574 -11.911 43 1HD2 ASN 8 HD2 ASN 8 53.205 0.286 -14.046 44 2HD2 ASN 8 HD2 ASN 8 52.107 1.391 -14.720 45 H SER 9 HN SER 9 52.464 -0.284 -8.446 46 HA SER 9 HA SER 9 52.911 -3.205 -8.519 47 1HB SER 9 HB2 SER 9 54.421 -2.735 -6.784 48 2HB SER 9 HB1 SER 9 54.441 -1.238 -7.707 49 HG SER 9 HG SER 9 54.155 -0.989 -5.396 50 H GLN 10 HN GLN 10 52.537 -2.646 -5.324 51 HA GLN 10 HA GLN 10 49.592 -3.221 -5.338 52 1HB GLN 10 HB2 GLN 10 51.578 -5.064 -4.962 53 2HB GLN 10 HB1 GLN 10 51.268 -4.557 -3.301 54 1HG GLN 10 HG2 GLN 10 48.852 -4.996 -3.629 55 2HG GLN 10 HG1 GLN 10 49.184 -5.544 -5.273 56 1HE2 GLN 10 HE21 GLN 10 51.269 -6.211 -2.450 57 2HE2 GLN 10 HE22 GLN 10 51.026 -7.891 -2.464 58 H LEU 11 HN LEU 11 52.072 -2.960 -2.766 59 HA LEU 11 HA LEU 11 52.122 -1.595 -0.836 60 1HB LEU 11 HB2 LEU 11 52.376 0.136 -2.557 61 2HB LEU 11 HB1 LEU 11 50.625 0.200 -2.775 62 HG LEU 11 HG LEU 11 50.522 0.726 -0.246 63 1HD1 LEU 11 HD1 LEU 11 52.912 0.086 0.159 64 2HD1 LEU 11 HD1 LEU 11 52.526 1.714 0.717 65 3HD1 LEU 11 HD1 LEU 11 53.407 1.485 -0.794 66 1HD2 LEU 11 HD2 LEU 11 50.553 3.030 -0.705 67 2HD2 LEU 11 HD2 LEU 11 50.304 2.329 -2.302 68 3HD2 LEU 11 HD2 LEU 11 51.908 2.885 -1.823 69 H SER 12 HN SER 12 50.855 -2.391 0.801 70 HA SER 12 HA SER 12 48.017 -2.856 0.593 71 1HB SER 12 HB2 SER 12 49.334 -4.147 2.107 72 2HB SER 12 HB1 SER 12 50.036 -2.707 2.839 73 HG SER 12 HG SER 12 48.064 -3.967 3.793 74 H ALA 13 HN ALA 13 46.351 -1.739 1.923 75 HA ALA 13 HA ALA 13 46.425 1.126 1.633 76 1HB ALA 13 HB1 ALA 13 44.548 -0.854 2.003 77 2HB ALA 13 HB2 ALA 13 44.208 0.875 2.100 78 3HB ALA 13 HB3 ALA 13 44.534 -0.042 3.570 79 H ASN 14 HN ASN 14 47.839 -0.908 3.945 80 HA ASN 14 HA ASN 14 47.652 1.083 6.150 81 1HB ASN 14 HB2 ASN 14 47.241 -1.227 6.719 82 2HB ASN 14 HB1 ASN 14 48.704 -1.749 5.883 83 1HD2 ASN 14 HD2 ASN 14 50.116 -2.424 7.515 84 2HD2 ASN 14 HD2 ASN 14 50.487 -1.521 8.904 85 H SER 15 HN SER 15 49.724 0.236 3.564 86 HA SER 15 HA SER 15 52.267 0.881 4.838 87 1HB SER 15 HB2 SER 15 52.013 -0.602 2.871 88 2HB SER 15 HB1 SER 15 51.393 0.751 1.930 89 HG SER 15 HG SER 15 53.890 0.865 3.249 90 H LYS 16 HN LYS 16 53.422 2.664 3.015 91 HA LYS 16 HA LYS 16 51.729 5.098 2.946 92 1HB LYS 16 HB2 LYS 16 53.831 4.464 4.914 93 2HB LYS 16 HB1 LYS 16 54.012 6.048 4.158 94 1HG LYS 16 HG2 LYS 16 51.351 6.082 4.652 95 2HG LYS 16 HG1 LYS 16 51.889 5.053 5.980 96 1HD LYS 16 HD2 LYS 16 52.191 7.107 6.979 97 2HD LYS 16 HD1 LYS 16 53.758 6.958 6.186 98 1HE LYS 16 HE2 LYS 16 53.327 8.778 4.914 99 2HE LYS 16 HE1 LYS 16 51.814 8.053 4.335 100 1HZ LYS 16 HZ1 LYS 16 50.994 8.601 6.709 101 2HZ LYS 16 HZ2 LYS 16 51.053 9.847 5.554 102 3HZ LYS 16 HZ3 LYS 16 52.275 9.713 6.728 103 H CYS 17 HN CYS 17 52.294 6.355 1.187 104 HA CYS 17 HA CYS 17 55.010 5.969 -0.017 105 1HB CYS 17 HB2 CYS 17 52.917 4.694 -1.013 106 2HB CYS 17 HB1 CYS 17 52.552 6.268 -1.718 107 H GLU 18 HN GLU 18 53.856 8.152 1.640 108 HA GLU 18 HA GLU 18 52.984 10.402 0.169 109 1HB GLU 18 HB2 GLU 18 53.659 9.756 2.763 110 2HB GLU 18 HB1 GLU 18 54.924 10.909 2.332 111 1HG GLU 18 HG2 GLU 18 52.159 11.639 1.526 112 2HG GLU 18 HG1 GLU 18 52.501 11.671 3.257 113 H LYS 19 HN LYS 19 54.023 11.606 -1.394 114 HA LYS 19 HA LYS 19 55.778 12.250 -2.869 115 1HB LYS 19 HB2 LYS 19 56.574 12.691 -0.019 116 2HB LYS 19 HB1 LYS 19 57.806 12.948 -1.253 117 1HG LYS 19 HG2 LYS 19 55.055 14.218 -1.312 118 2HG LYS 19 HG1 LYS 19 56.506 15.021 -0.713 119 1HD LYS 19 HD2 LYS 19 57.205 15.495 -2.800 120 2HD LYS 19 HD1 LYS 19 56.965 13.828 -3.324 121 1HE LYS 19 HE2 LYS 19 55.016 14.359 -4.357 122 2HE LYS 19 HE1 LYS 19 54.419 15.208 -2.916 123 1HZ LYS 19 HZ1 LYS 19 56.625 16.451 -4.363 124 2HZ LYS 19 HZ2 LYS 19 55.302 17.170 -3.576 125 3HZ LYS 19 HZ3 LYS 19 55.109 16.494 -5.124 126 H SER 20 HN SER 20 56.204 10.150 -3.863 127 HA SER 20 HA SER 20 58.861 9.071 -3.178 128 1HB SER 20 HB2 SER 20 56.294 7.867 -2.386 129 2HB SER 20 HB1 SER 20 57.380 6.750 -3.206 130 HG SER 20 HG SER 20 58.080 6.651 -1.173 131 H THR 21 HN THR 21 58.936 6.808 -4.617 132 HA THR 21 HA THR 21 57.595 7.132 -7.227 133 HB THR 21 HB THR 21 60.614 7.231 -7.017 134 HG1 THR 21 HG1 THR 21 59.692 9.555 -7.774 135 1HG2 THR 21 HG21 THR 21 60.012 8.419 -9.338 136 2HG2 THR 21 HG22 THR 21 58.575 7.407 -9.187 137 3HG2 THR 21 HG23 THR 21 60.176 6.668 -9.206 138 H LEU 22 HN LEU 22 56.943 4.962 -6.144 139 HA LEU 22 HA LEU 22 58.938 2.853 -5.996 140 1HB LEU 22 HB2 LEU 22 55.908 2.764 -6.115 141 2HB LEU 22 HB1 LEU 22 56.952 1.466 -5.552 142 HG LEU 22 HG LEU 22 56.221 4.036 -4.210 143 1HD1 LEU 22 HD1 LEU 22 57.011 1.791 -2.556 144 2HD1 LEU 22 HD1 LEU 22 55.852 1.281 -3.784 145 3HD1 LEU 22 HD1 LEU 22 55.442 2.589 -2.672 146 1HD2 LEU 22 HD2 LEU 22 58.239 3.828 -2.738 147 2HD2 LEU 22 HD2 LEU 22 58.645 4.278 -4.392 148 3HD2 LEU 22 HD2 LEU 22 58.885 2.619 -3.848 149 H THR 23 HN THR 23 56.323 1.495 -7.557 150 HA THR 23 HA THR 23 56.191 1.785 -10.212 151 HB THR 23 HB THR 23 58.998 1.010 -9.470 152 HG1 THR 23 HG1 THR 23 58.138 2.302 -11.805 153 1HG2 THR 23 HG21 THR 23 57.561 0.050 -11.960 154 2HG2 THR 23 HG22 THR 23 58.342 -0.949 -10.734 155 3HG2 THR 23 HG23 THR 23 59.316 0.079 -11.787 156 H ASN 24 HN ASN 24 57.884 -0.861 -8.485 157 HA ASN 24 HA ASN 24 55.525 -2.629 -9.036 158 1HB ASN 24 HB2 ASN 24 58.488 -3.041 -9.487 159 2HB ASN 24 HB1 ASN 24 57.381 -4.408 -9.358 160 1HD2 ASN 24 HD2 ASN 24 58.919 -2.939 -11.724 161 2HD2 ASN 24 HD2 ASN 24 57.722 -2.847 -12.924 162 H CYS 25 HN CYS 25 56.270 -1.174 -6.564 163 HA CYS 25 HA CYS 25 57.613 -2.914 -4.706 164 1HB CYS 25 HB2 CYS 25 56.763 -0.330 -4.734 165 2HB CYS 25 HB1 CYS 25 55.498 -1.051 -3.757 166 H TYR 26 HN TYR 26 55.825 -2.982 -2.566 167 HA TYR 26 HA TYR 26 53.344 -4.374 -3.245 168 1HB TYR 26 HB2 TYR 26 55.830 -5.796 -2.235 169 2HB TYR 26 HB1 TYR 26 54.216 -6.469 -2.014 170 HD1 TYR 26 HD1 TYR 26 52.721 -6.416 -4.258 171 HD2 TYR 26 HD2 TYR 26 57.014 -6.462 -4.118 172 HE1 TYR 26 HE1 TYR 26 52.787 -7.325 -6.566 173 HE2 TYR 26 HE2 TYR 26 57.080 -7.369 -6.426 174 HH TYR 26 HH TYR 26 54.937 -7.174 -8.541 175 H VAL 27 HN VAL 27 55.888 -4.139 -0.804 176 HA VAL 27 HA VAL 27 55.807 -3.612 1.491 177 HB VAL 27 HB VAL 27 53.774 -1.612 0.479 178 1HG1 VAL 27 HG11 VAL 27 54.180 -1.082 2.694 179 2HG1 VAL 27 HG12 VAL 27 55.500 -0.194 1.932 180 3HG1 VAL 27 HG13 VAL 27 55.804 -1.768 2.668 181 1HG2 VAL 27 HG21 VAL 27 56.026 -0.332 -0.075 182 2HG2 VAL 27 HG22 VAL 27 55.336 -1.447 -1.255 183 3HG2 VAL 27 HG23 VAL 27 56.674 -1.964 -0.227 184 H ASP 28 HN ASP 28 54.133 -2.928 3.281 185 HA ASP 28 HA ASP 28 51.425 -3.907 3.182 186 1HB ASP 28 HB2 ASP 28 53.394 -5.878 3.223 187 2HB ASP 28 HB1 ASP 28 52.927 -5.735 4.918 188 H LYS 29 HN LYS 29 54.330 -3.255 5.064 189 HA LYS 29 HA LYS 29 52.742 -1.699 7.032 190 1HB LYS 29 HB2 LYS 29 54.401 -4.179 7.542 191 2HB LYS 29 HB1 LYS 29 54.105 -3.006 8.825 192 1HG LYS 29 HG2 LYS 29 51.641 -3.252 8.395 193 2HG LYS 29 HG1 LYS 29 52.016 -4.541 7.250 194 1HD LYS 29 HD2 LYS 29 53.150 -4.687 10.023 195 2HD LYS 29 HD1 LYS 29 51.461 -5.128 9.762 196 1HE LYS 29 HE2 LYS 29 52.197 -6.720 7.968 197 2HE LYS 29 HE1 LYS 29 53.882 -6.356 8.396 198 1HZ LYS 29 HZ1 LYS 29 53.549 -7.115 10.586 199 2HZ LYS 29 HZ2 LYS 29 52.848 -8.303 9.594 200 3HZ LYS 29 HZ3 LYS 29 51.863 -7.180 10.404 201 H SER 30 HN SER 30 54.350 -0.472 5.202 202 HA SER 30 HA SER 30 56.829 0.163 6.765 203 1HB SER 30 HB2 SER 30 56.494 -0.361 3.804 204 2HB SER 30 HB1 SER 30 57.968 0.273 4.526 205 HG SER 30 HG SER 30 56.683 -2.178 5.186 206 H GLU 31 HN GLU 31 57.785 2.255 6.164 207 HA GLU 31 HA GLU 31 55.764 4.241 5.164 208 1HB GLU 31 HB2 GLU 31 56.980 3.974 7.679 209 2HB GLU 31 HB1 GLU 31 57.887 5.265 6.891 210 1HG GLU 31 HG2 GLU 31 55.692 6.353 6.308 211 2HG GLU 31 HG1 GLU 31 54.890 5.140 7.305 212 H VAL 32 HN VAL 32 56.504 4.663 3.080 213 HA VAL 32 HA VAL 32 59.457 4.949 2.682 214 HB VAL 32 HB VAL 32 57.223 4.519 0.680 215 1HG1 VAL 32 HG11 VAL 32 59.606 5.392 0.034 216 2HG1 VAL 32 HG12 VAL 32 58.899 4.064 -0.881 217 3HG1 VAL 32 HG13 VAL 32 60.108 3.733 0.359 218 1HG2 VAL 32 HG21 VAL 32 57.050 2.474 1.644 219 2HG2 VAL 32 HG22 VAL 32 58.514 2.709 2.599 220 3HG2 VAL 32 HG23 VAL 32 58.629 2.143 0.932 221 H TYR 33 HN TYR 33 60.173 6.685 1.219 222 HA TYR 33 HA TYR 33 58.298 8.890 0.630 223 1HB TYR 33 HB2 TYR 33 60.558 9.054 2.647 224 2HB TYR 33 HB1 TYR 33 59.707 10.461 2.012 225 HD1 TYR 33 HD1 TYR 33 57.220 10.676 2.384 226 HD2 TYR 33 HD2 TYR 33 59.603 7.695 4.353 227 HE1 TYR 33 HE1 TYR 33 55.420 10.345 4.058 228 HE2 TYR 33 HE2 TYR 33 57.804 7.363 6.028 229 HH TYR 33 HH TYR 33 55.898 8.305 6.886 230 H GLY 34 HN GLY 34 59.864 7.290 -1.133 231 1HA GLY 34 HA2 GLY 34 60.915 8.739 -3.056 232 2HA GLY 34 HA1 GLY 34 62.163 9.045 -1.850 233 H THR 35 HN THR 35 60.506 5.942 -2.207 234 HA THR 35 HA THR 35 63.139 4.669 -2.725 235 HB THR 35 HB THR 35 60.386 3.743 -1.894 236 HG1 THR 35 HG1 THR 35 61.875 4.643 -0.362 237 1HG2 THR 35 HG21 THR 35 62.768 2.114 -2.771 238 2HG2 THR 35 HG22 THR 35 61.095 1.977 -3.311 239 3HG2 THR 35 HG23 THR 35 61.543 1.461 -1.685 240 H THR 36 HN THR 36 63.547 3.480 -4.608 241 HA THR 36 HA THR 36 61.707 3.970 -6.891 242 HB THR 36 HB THR 36 64.540 2.921 -6.588 243 HG1 THR 36 HG1 THR 36 64.313 5.129 -6.267 244 1HG2 THR 36 HG21 THR 36 62.681 2.780 -8.839 245 2HG2 THR 36 HG22 THR 36 64.246 1.995 -8.626 246 3HG2 THR 36 HG23 THR 36 64.163 3.647 -9.241 247 H CYS 37 HN CYS 37 60.504 2.200 -5.196 248 HA CYS 37 HA CYS 37 61.116 -0.524 -5.249 249 1HB CYS 37 HB2 CYS 37 58.704 1.171 -5.017 250 2HB CYS 37 HB1 CYS 37 58.391 -0.504 -5.478 251 H THR 38 HN THR 38 62.080 -1.002 -7.346 252 HA THR 38 HA THR 38 60.170 -1.044 -9.647 253 HB THR 38 HB THR 38 62.311 0.101 -9.985 254 HG1 THR 38 HG1 THR 38 61.436 -1.292 -11.652 255 1HG2 THR 38 HG21 THR 38 64.006 -0.634 -8.679 256 2HG2 THR 38 HG22 THR 38 64.266 -1.845 -9.934 257 3HG2 THR 38 HG23 THR 38 63.295 -2.240 -8.516 258 H GLY 39 HN GLY 39 59.989 -2.961 -7.439 259 1HA GLY 39 HA2 GLY 39 59.256 -5.304 -8.148 260 2HA GLY 39 HA1 GLY 39 60.893 -5.470 -8.783 261 H SER 40 HN SER 40 59.712 -4.040 -5.729 262 HA SER 40 HA SER 40 61.165 -6.169 -4.213 263 1HB SER 40 HB2 SER 40 61.510 -3.473 -3.126 264 2HB SER 40 HB1 SER 40 62.723 -4.703 -3.457 265 HG SER 40 HG SER 40 62.665 -2.621 -4.746 266 H ARG 41 HN ARG 41 60.543 -6.030 -1.810 267 HA ARG 41 HA ARG 41 57.951 -4.635 -1.331 268 1HB ARG 41 HB2 ARG 41 56.893 -6.729 -0.686 269 2HB ARG 41 HB1 ARG 41 57.570 -6.922 -2.304 270 1HG ARG 41 HG2 ARG 41 59.565 -8.009 -1.354 271 2HG ARG 41 HG1 ARG 41 58.910 -7.805 0.271 272 1HD ARG 41 HD2 ARG 41 57.609 -9.650 0.053 273 2HD ARG 41 HD1 ARG 41 56.987 -9.095 -1.513 274 HE ARG 41 HE ARG 41 59.486 -9.824 -2.228 275 1HH1 ARG 41 HH1 ARG 41 56.744 -11.536 -1.855 276 2HH1 ARG 41 HH1 ARG 41 57.476 -13.055 -1.463 277 1HH2 ARG 41 HH2 ARG 41 60.637 -11.713 -0.990 278 2HH2 ARG 41 HH2 ARG 41 59.679 -13.154 -0.970 279 H PHE 42 HN PHE 42 57.492 -4.350 0.927 280 HA PHE 42 HA PHE 42 59.808 -4.937 2.746 281 1HB PHE 42 HB2 PHE 42 57.733 -2.753 3.040 282 2HB PHE 42 HB1 PHE 42 59.312 -2.856 3.817 283 HD1 PHE 42 HD1 PHE 42 57.824 -0.801 1.743 284 HD2 PHE 42 HD2 PHE 42 61.051 -3.629 1.549 285 HE1 PHE 42 HE1 PHE 42 58.830 0.477 -0.126 286 HE2 PHE 42 HE2 PHE 42 62.055 -2.349 -0.325 287 HZ PHE 42 HZ PHE 42 60.946 -0.298 -1.154 288 H ASP 43 HN ASP 43 58.630 -4.427 5.161 289 HA ASP 43 HA ASP 43 56.014 -5.545 5.551 290 1HB ASP 43 HB2 ASP 43 57.643 -7.440 4.662 291 2HB ASP 43 HB1 ASP 43 58.169 -7.476 6.345 292 H GLY 44 HN GLY 44 57.115 -3.339 6.686 293 1HA GLY 44 HA2 GLY 44 56.747 -2.774 9.086 294 2HA GLY 44 HA1 GLY 44 57.668 -4.222 9.485 295 H VAL 45 HN VAL 45 58.163 -1.314 7.423 296 HA VAL 45 HA VAL 45 60.778 -0.929 8.819 297 HB VAL 45 HB VAL 45 61.982 -0.948 6.797 298 1HG1 VAL 45 HG11 VAL 45 61.238 -3.210 7.304 299 2HG1 VAL 45 HG12 VAL 45 61.233 -2.980 5.555 300 3HG1 VAL 45 HG13 VAL 45 59.717 -2.933 6.454 301 1HG2 VAL 45 HG21 VAL 45 59.333 -0.669 5.345 302 2HG2 VAL 45 HG22 VAL 45 60.915 -0.774 4.575 303 3HG2 VAL 45 HG23 VAL 45 60.516 0.618 5.584 304 H THR 46 HN THR 46 61.714 1.256 7.503 305 HA THR 46 HA THR 46 59.516 3.240 7.246 306 HB THR 46 HB THR 46 61.798 3.472 9.234 307 HG1 THR 46 HG1 THR 46 60.151 3.130 10.769 308 1HG2 THR 46 HG21 THR 46 59.500 5.228 8.425 309 2HG2 THR 46 HG22 THR 46 61.184 5.663 8.716 310 3HG2 THR 46 HG23 THR 46 60.119 5.304 10.075 311 H ILE 47 HN ILE 47 61.108 2.401 5.149 312 HA ILE 47 HA ILE 47 63.566 3.868 4.814 313 HB ILE 47 HB ILE 47 62.867 1.829 3.573 314 1HG1 ILE 47 HG12 ILE 47 63.109 3.976 1.494 315 2HG1 ILE 47 HG11 ILE 47 64.420 3.774 2.655 316 1HG2 ILE 47 HG21 ILE 47 60.897 3.733 2.269 317 2HG2 ILE 47 HG22 ILE 47 60.484 2.380 3.323 318 3HG2 ILE 47 HG23 ILE 47 61.210 2.079 1.744 319 1HD1 ILE 47 HD1 ILE 47 64.923 1.617 1.917 320 2HD1 ILE 47 HD1 ILE 47 64.457 2.406 0.410 321 3HD1 ILE 47 HD1 ILE 47 63.310 1.364 1.251 322 H THR 48 HN THR 48 63.735 5.509 2.901 323 HA THR 48 HA THR 48 61.364 7.317 2.762 324 HB THR 48 HB THR 48 63.075 9.197 3.228 325 HG1 THR 48 HG1 THR 48 65.020 8.594 3.679 326 1HG2 THR 48 HG21 THR 48 61.598 8.930 4.978 327 2HG2 THR 48 HG22 THR 48 63.089 8.440 5.781 328 3HG2 THR 48 HG23 THR 48 61.973 7.218 5.174 329 H THR 49 HN THR 49 64.492 8.495 1.830 330 HA THR 49 HA THR 49 63.724 8.207 -1.046 331 HB THR 49 HB THR 49 65.546 10.052 0.525 332 HG1 THR 49 HG1 THR 49 63.334 10.577 -1.166 333 1HG2 THR 49 HG21 THR 49 65.603 11.136 -1.919 334 2HG2 THR 49 HG22 THR 49 65.428 9.447 -2.392 335 3HG2 THR 49 HG23 THR 49 66.799 9.947 -1.401 336 H SER 50 HN SER 50 64.575 5.835 -0.628 337 HA SER 50 HA SER 50 67.557 5.822 -0.984 338 1HB SER 50 HB2 SER 50 65.610 4.025 0.450 339 2HB SER 50 HB1 SER 50 67.196 3.427 -0.034 340 HG SER 50 HG SER 50 66.606 4.825 2.096 341 H THR 51 HN THR 51 68.399 4.477 -2.603 342 HA THR 51 HA THR 51 66.430 3.520 -4.635 343 HB THR 51 HB THR 51 69.267 3.336 -5.275 344 HG1 THR 51 HG1 THR 51 68.206 5.807 -4.377 345 1HG2 THR 51 HG21 THR 51 67.821 5.396 -6.673 346 2HG2 THR 51 HG22 THR 51 66.806 3.964 -6.509 347 3HG2 THR 51 HG23 THR 51 68.388 3.840 -7.277 348 H SER 52 HN SER 52 65.984 1.355 -4.597 349 HA SER 52 HA SER 52 68.152 -0.549 -3.814 350 1HB SER 52 HB2 SER 52 65.457 -1.240 -2.866 351 2HB SER 52 HB1 SER 52 66.987 -1.263 -1.996 352 HG SER 52 HG SER 52 66.686 0.771 -1.393 353 H THR 53 HN THR 53 68.186 -2.371 -5.117 354 HA THR 53 HA THR 53 65.853 -2.767 -6.970 355 HB THR 53 HB THR 53 68.738 -3.476 -7.531 356 HG1 THR 53 HG1 THR 53 68.821 -1.422 -8.580 357 1HG2 THR 53 HG21 THR 53 66.186 -3.427 -9.000 358 2HG2 THR 53 HG22 THR 53 67.652 -4.353 -9.319 359 3HG2 THR 53 HG23 THR 53 67.528 -2.681 -9.865 360 H GLY 54 HN GLY 54 64.929 -4.362 -5.510 361 1HA GLY 54 HA2 GLY 54 64.567 -6.687 -5.125 362 2HA GLY 54 HA1 GLY 54 66.170 -7.018 -5.788 363 H SER 55 HN SER 55 64.549 -5.628 -2.939 364 HA SER 55 HA SER 55 66.674 -6.800 -1.221 365 1HB SER 55 HB2 SER 55 66.611 -4.401 -0.111 366 2HB SER 55 HB1 SER 55 67.610 -4.691 -1.532 367 HG SER 55 HG SER 55 65.238 -3.262 -1.256 368 H ARG 56 HN ARG 56 65.630 -7.800 0.452 369 HA ARG 56 HA ARG 56 62.823 -7.089 1.055 370 1HB ARG 56 HB2 ARG 56 64.319 -9.420 0.944 371 2HB ARG 56 HB1 ARG 56 64.175 -9.131 2.677 372 1HG ARG 56 HG2 ARG 56 61.631 -8.584 1.552 373 2HG ARG 56 HG1 ARG 56 62.176 -10.110 0.856 374 1HD ARG 56 HD2 ARG 56 62.600 -9.754 3.791 375 2HD ARG 56 HD1 ARG 56 60.935 -10.028 3.238 376 HE ARG 56 HE ARG 56 63.181 -11.828 2.407 377 1HH1 ARG 56 HH1 ARG 56 60.438 -11.441 4.366 378 2HH1 ARG 56 HH1 ARG 56 59.763 -12.993 4.000 379 1HH2 ARG 56 HH2 ARG 56 62.128 -13.747 1.580 380 2HH2 ARG 56 HH2 ARG 56 60.716 -14.296 2.418 381 H ILE 57 HN ILE 57 62.958 -5.110 2.215 382 HA ILE 57 HA ILE 57 64.825 -4.833 4.473 383 HB ILE 57 HB ILE 57 62.532 -3.097 3.473 384 1HG1 ILE 57 HG12 ILE 57 65.171 -2.117 2.866 385 2HG1 ILE 57 HG11 ILE 57 65.008 -3.764 2.253 386 1HG2 ILE 57 HG21 ILE 57 64.910 -1.929 4.804 387 2HG2 ILE 57 HG22 ILE 57 63.842 -2.856 5.853 388 3HG2 ILE 57 HG23 ILE 57 63.211 -1.483 4.946 389 1HD1 ILE 57 HD1 ILE 57 62.821 -1.748 1.799 390 2HD1 ILE 57 HD1 ILE 57 63.187 -3.210 0.881 391 3HD1 ILE 57 HD1 ILE 57 64.228 -1.794 0.737 392 H SER 58 HN SER 58 62.390 -6.825 4.294 393 HA SER 58 HA SER 58 60.325 -6.295 6.050 394 1HB SER 58 HB2 SER 58 61.834 -8.572 5.081 395 2HB SER 58 HB1 SER 58 61.322 -8.845 6.743 396 HG SER 58 HG SER 58 59.433 -9.231 5.923 397 H GLY 59 HN GLY 59 60.076 -6.404 8.360 398 1HA GLY 59 HA2 GLY 59 61.886 -7.147 10.308 399 2HA GLY 59 HA1 GLY 59 62.414 -5.525 9.865 400 HA PRO 60 HA PRO 60 58.713 -5.449 12.798 401 1HB PRO 60 HB2 PRO 60 60.008 -5.075 15.177 402 2HB PRO 60 HB1 PRO 60 59.589 -6.682 14.553 403 1HG PRO 60 HG2 PRO 60 62.201 -5.269 14.538 404 2HG PRO 60 HG1 PRO 60 61.848 -6.990 14.753 405 1HD PRO 60 HD2 PRO 60 62.762 -5.870 12.414 406 2HD PRO 60 HD1 PRO 60 61.853 -7.395 12.509 407 H GLY 61 HN GLY 61 61.322 -3.639 11.773 408 1HA GLY 61 HA2 GLY 61 60.088 -1.134 11.861 409 2HA GLY 61 HA1 GLY 61 61.018 -1.245 13.357 410 H CYS 62 HN CYS 62 61.984 -2.753 10.306 411 HA CYS 62 HA CYS 62 64.664 -1.934 10.349 412 1HB CYS 62 HB2 CYS 62 63.139 -3.476 8.777 413 2HB CYS 62 HB1 CYS 62 63.194 -2.049 7.744 414 H LYS 63 HN LYS 63 65.553 0.105 10.253 415 HA LYS 63 HA LYS 63 63.887 2.308 9.112 416 1HB LYS 63 HB2 LYS 63 64.625 2.653 11.373 417 2HB LYS 63 HB1 LYS 63 66.272 2.161 10.975 418 1HG LYS 63 HG2 LYS 63 66.218 4.155 9.300 419 2HG LYS 63 HG1 LYS 63 64.843 4.715 10.253 420 1HD LYS 63 HD2 LYS 63 66.329 4.416 12.314 421 2HD LYS 63 HD1 LYS 63 67.677 4.237 11.190 422 1HE LYS 63 HE2 LYS 63 67.815 6.486 10.998 423 2HE LYS 63 HE1 LYS 63 66.138 6.543 10.417 424 1HZ LYS 63 HZ1 LYS 63 67.022 6.426 13.252 425 2HZ LYS 63 HZ2 LYS 63 65.404 6.337 12.740 426 3HZ LYS 63 HZ3 LYS 63 66.303 7.756 12.480 427 H ILE 64 HN ILE 64 64.457 3.151 7.148 428 HA ILE 64 HA ILE 64 67.280 2.797 6.208 429 HB ILE 64 HB ILE 64 64.725 2.406 4.614 430 1HG1 ILE 64 HG12 ILE 64 65.189 0.655 6.366 431 2HG1 ILE 64 HG11 ILE 64 65.214 0.035 4.715 432 1HG2 ILE 64 HG21 ILE 64 66.243 2.924 2.966 433 2HG2 ILE 64 HG22 ILE 64 66.661 1.223 3.168 434 3HG2 ILE 64 HG23 ILE 64 67.630 2.469 3.956 435 1HD1 ILE 64 HD1 ILE 64 67.148 -0.871 5.803 436 2HD1 ILE 64 HD1 ILE 64 67.587 0.699 6.472 437 3HD1 ILE 64 HD1 ILE 64 67.732 0.406 4.738 438 H SER 65 HN SER 65 68.094 4.602 5.127 439 HA SER 65 HA SER 65 66.245 6.756 4.276 440 1HB SER 65 HB2 SER 65 66.651 8.054 6.084 441 2HB SER 65 HB1 SER 65 67.438 6.665 6.824 442 HG SER 65 HG SER 65 68.806 8.514 6.693 443 H THR 66 HN THR 66 67.018 7.523 2.368 444 HA THR 66 HA THR 66 68.500 7.711 0.522 445 HB THR 66 HB THR 66 70.382 8.732 2.640 446 HG1 THR 66 HG1 THR 66 69.026 10.651 2.543 447 1HG2 THR 66 HG21 THR 66 69.859 10.548 0.523 448 2HG2 THR 66 HG22 THR 66 70.068 8.954 -0.205 449 3HG2 THR 66 HG23 THR 66 71.337 9.632 0.818 450 H CYS 67 HN CYS 67 68.712 5.230 0.613 451 HA CYS 67 HA CYS 67 71.593 4.503 1.058 452 1HB CYS 67 HB2 CYS 67 69.069 2.883 1.571 453 2HB CYS 67 HB1 CYS 67 70.714 2.279 1.763 454 H ILE 68 HN ILE 68 72.478 3.812 -0.896 455 HA ILE 68 HA ILE 68 70.623 3.167 -3.122 456 HB ILE 68 HB ILE 68 73.600 3.681 -2.896 457 1HG1 ILE 68 HG12 ILE 68 72.971 5.637 -4.337 458 2HG1 ILE 68 HG11 ILE 68 71.279 5.168 -4.170 459 1HG2 ILE 68 HG21 ILE 68 73.396 2.073 -4.650 460 2HG2 ILE 68 HG22 ILE 68 73.448 3.642 -5.456 461 3HG2 ILE 68 HG23 ILE 68 71.907 2.809 -5.245 462 1HD1 ILE 68 HD1 ILE 68 72.287 6.949 -2.526 463 2HD1 ILE 68 HD1 ILE 68 72.962 5.538 -1.711 464 3HD1 ILE 68 HD1 ILE 68 71.215 5.696 -1.899 465 H ILE 69 HN ILE 69 69.938 1.074 -2.397 466 HA ILE 69 HA ILE 69 72.010 -1.039 -2.118 467 HB ILE 69 HB ILE 69 68.989 -1.115 -1.838 468 1HG1 ILE 69 HG12 ILE 69 70.865 -1.068 0.496 469 2HG1 ILE 69 HG11 ILE 69 70.515 0.456 -0.319 470 1HG2 ILE 69 HG21 ILE 69 70.925 -2.938 -0.451 471 2HG2 ILE 69 HG22 ILE 69 70.507 -3.255 -2.135 472 3HG2 ILE 69 HG23 ILE 69 69.245 -3.231 -0.903 473 1HD1 ILE 69 HD1 ILE 69 68.401 0.530 0.491 474 2HD1 ILE 69 HD1 ILE 69 68.943 -0.692 1.640 475 3HD1 ILE 69 HD1 ILE 69 68.123 -1.179 0.157 476 H THR 70 HN THR 70 71.855 -2.984 -3.438 477 HA THR 70 HA THR 70 70.128 -2.888 -5.848 478 HB THR 70 HB THR 70 73.159 -2.791 -5.835 479 HG1 THR 70 HG1 THR 70 71.102 -1.099 -6.790 480 1HG2 THR 70 HG21 THR 70 73.197 -3.343 -8.089 481 2HG2 THR 70 HG22 THR 70 71.519 -2.862 -8.340 482 3HG2 THR 70 HG23 THR 70 71.889 -4.380 -7.520 483 H GLY 71 HN GLY 71 69.233 -4.894 -5.060 484 1HA GLY 71 HA2 GLY 71 69.221 -7.274 -5.386 485 2HA GLY 71 HA1 GLY 71 70.976 -7.225 -5.575 486 H GLY 72 HN GLY 72 69.293 -5.648 -2.934 487 1HA GLY 72 HA2 GLY 72 69.157 -6.251 -0.647 488 2HA GLY 72 HA1 GLY 72 69.821 -7.834 -1.060 489 H VAL 73 HN VAL 73 71.556 -5.169 -2.328 490 HA VAL 73 HA VAL 73 73.585 -5.420 -0.124 491 HB VAL 73 HB VAL 73 75.271 -5.300 -1.894 492 1HG1 VAL 73 HG11 VAL 73 73.504 -7.413 -1.477 493 2HG1 VAL 73 HG12 VAL 73 75.049 -7.508 -2.322 494 3HG1 VAL 73 HG13 VAL 73 73.561 -7.252 -3.233 495 1HG2 VAL 73 HG21 VAL 73 72.877 -4.524 -3.480 496 2HG2 VAL 73 HG22 VAL 73 74.064 -5.535 -4.304 497 3HG2 VAL 73 HG23 VAL 73 74.548 -3.979 -3.628 498 HA PRO 74 HA PRO 74 72.840 -0.997 -0.102 499 1HB PRO 74 HB2 PRO 74 74.417 -0.473 2.073 500 2HB PRO 74 HB1 PRO 74 72.773 -1.123 2.208 501 1HG PRO 74 HG2 PRO 74 75.386 -2.524 2.429 502 2HG PRO 74 HG1 PRO 74 73.877 -2.795 3.314 503 1HD PRO 74 HD2 PRO 74 74.740 -4.362 1.235 504 2HD PRO 74 HD1 PRO 74 73.038 -4.184 1.712 505 H ALA 75 HN ALA 75 74.080 0.758 -0.869 506 HA ALA 75 HA ALA 75 76.756 0.087 -1.949 507 1HB ALA 75 HB1 ALA 75 76.352 2.451 -2.942 508 2HB ALA 75 HB2 ALA 75 74.736 2.315 -2.252 509 3HB ALA 75 HB3 ALA 75 75.275 1.159 -3.470 510 HA PRO 76 HA PRO 76 78.975 2.367 1.087 511 1HB PRO 76 HB2 PRO 76 80.837 3.729 -0.392 512 2HB PRO 76 HB1 PRO 76 80.915 1.973 -0.124 513 1HG PRO 76 HG2 PRO 76 79.947 3.485 -2.499 514 2HG PRO 76 HG1 PRO 76 80.890 1.989 -2.424 515 1HD PRO 76 HD2 PRO 76 78.215 2.049 -2.928 516 2HD PRO 76 HD1 PRO 76 79.030 0.677 -2.144 517 H SER 77 HN SER 77 76.608 3.632 0.723 518 HA SER 77 HA SER 77 76.966 6.398 -0.197 519 1HB SER 77 HB2 SER 77 74.885 4.550 0.125 520 2HB SER 77 HB1 SER 77 74.563 5.790 1.334 521 HG SER 77 HG SER 77 74.993 7.301 -0.482 522 H ALA 78 HN ALA 78 77.666 8.024 1.109 523 HA ALA 78 HA ALA 78 78.145 7.576 3.961 524 1HB ALA 78 HB1 ALA 78 78.361 10.319 3.035 525 2HB ALA 78 HB2 ALA 78 79.088 9.216 1.868 526 3HB ALA 78 HB3 ALA 78 79.643 9.218 3.540 527 H ALA 79 HN ALA 79 75.474 8.565 2.117 528 HA ALA 79 HA ALA 79 74.354 10.324 4.236 529 1HB ALA 79 HB1 ALA 79 72.494 10.100 2.224 530 2HB ALA 79 HB2 ALA 79 73.999 9.805 1.354 531 3HB ALA 79 HB3 ALA 79 73.783 11.303 2.258 532 H CYS 80 HN CYS 80 74.281 7.030 3.267 533 HA CYS 80 HA CYS 80 71.549 6.444 4.117 534 1HB CYS 80 HB2 CYS 80 72.695 5.115 2.433 535 2HB CYS 80 HB1 CYS 80 74.010 4.763 3.545 536 H LYS 81 HN LYS 81 71.224 4.818 6.008 537 HA LYS 81 HA LYS 81 72.791 5.827 8.319 538 1HB LYS 81 HB2 LYS 81 70.815 5.646 9.446 539 2HB LYS 81 HB1 LYS 81 70.124 5.586 7.831 540 1HG LYS 81 HG2 LYS 81 70.986 3.043 9.217 541 2HG LYS 81 HG1 LYS 81 69.422 3.767 9.554 542 1HD LYS 81 HD2 LYS 81 68.574 3.250 7.499 543 2HD LYS 81 HD1 LYS 81 70.114 3.505 6.683 544 1HE LYS 81 HE2 LYS 81 69.450 1.099 6.643 545 2HE LYS 81 HE1 LYS 81 70.942 1.334 7.573 546 1HZ LYS 81 HZ1 LYS 81 69.804 0.276 9.182 547 2HZ LYS 81 HZ2 LYS 81 68.289 0.616 8.494 548 3HZ LYS 81 HZ3 LYS 81 69.075 1.784 9.439 549 H ILE 82 HN ILE 82 72.049 2.789 6.648 550 HA ILE 82 HA ILE 82 72.777 0.567 7.136 551 HB ILE 82 HB ILE 82 75.293 2.161 7.700 552 1HG1 ILE 82 HG12 ILE 82 74.096 2.966 5.662 553 2HG1 ILE 82 HG11 ILE 82 75.640 2.202 5.284 554 1HG2 ILE 82 HG21 ILE 82 76.189 0.116 6.334 555 2HG2 ILE 82 HG22 ILE 82 74.668 -0.641 6.807 556 3HG2 ILE 82 HG23 ILE 82 75.805 -0.096 8.041 557 1HD1 ILE 82 HD1 ILE 82 73.589 1.518 3.864 558 2HD1 ILE 82 HD1 ILE 82 73.078 0.614 5.289 559 3HD1 ILE 82 HD1 ILE 82 74.609 0.227 4.501 560 H SER 83 HN SER 83 71.412 1.204 9.378 561 HA SER 83 HA SER 83 73.316 0.739 11.648 562 1HB SER 83 HB2 SER 83 70.736 2.223 11.291 563 2HB SER 83 HB1 SER 83 71.130 1.590 12.887 564 HG SER 83 HG SER 83 71.951 3.703 12.571 565 H GLY 84 HN GLY 84 69.927 0.289 12.178 566 1HA GLY 84 HA2 GLY 84 70.412 -2.632 12.478 567 2HA GLY 84 HA1 GLY 84 69.118 -1.727 13.267 568 H CYS 85 HN CYS 85 70.134 -3.214 10.245 569 HA CYS 85 HA CYS 85 67.344 -3.574 9.460 570 1HB CYS 85 HB2 CYS 85 68.839 -1.231 8.691 571 2HB CYS 85 HB1 CYS 85 68.443 -2.175 7.256 572 H THR 86 HN THR 86 67.507 -4.203 6.883 573 HA THR 86 HA THR 86 69.887 -5.521 5.962 574 HB THR 86 HB THR 86 69.523 -6.992 7.852 575 HG1 THR 86 HG1 THR 86 69.878 -8.594 6.572 576 1HG2 THR 86 HG21 THR 86 67.434 -7.967 8.409 577 2HG2 THR 86 HG22 THR 86 66.735 -7.554 6.843 578 3HG2 THR 86 HG23 THR 86 67.053 -6.287 8.028 579 H PHE 87 HN PHE 87 69.450 -6.683 3.944 580 HA PHE 87 HA PHE 87 66.755 -6.010 2.807 581 1HB PHE 87 HB2 PHE 87 69.313 -6.496 1.271 582 2HB PHE 87 HB1 PHE 87 67.875 -5.627 0.741 583 HD1 PHE 87 HD1 PHE 87 70.813 -4.641 0.772 584 HD2 PHE 87 HD2 PHE 87 67.542 -4.152 3.512 585 HE1 PHE 87 HE1 PHE 87 71.808 -2.534 1.580 586 HE2 PHE 87 HE2 PHE 87 68.552 -2.033 4.335 587 HZ PHE 87 HZ PHE 87 70.685 -1.227 3.363 588 H SER 88 HN SER 88 69.435 -8.361 2.378 589 HA SER 88 HA SER 88 69.351 -10.697 2.002 590 1HB SER 88 HB2 SER 88 66.443 -10.794 2.572 591 2HB SER 88 HB1 SER 88 67.753 -11.739 3.272 592 HG SER 88 HG SER 88 68.281 -9.982 4.560 593 H ALA 89 HN ALA 89 68.055 -8.444 0.102 594 HA ALA 89 HA ALA 89 67.015 -8.434 -2.028 595 1HB ALA 89 HB1 ALA 89 67.746 -10.969 -2.965 596 2HB ALA 89 HB2 ALA 89 68.963 -10.583 -1.748 597 3HB ALA 89 HB3 ALA 89 68.698 -9.491 -3.110 598 H ASN 90 HN ASN 90 64.780 -8.531 -1.490 599 HA ASN 90 HA ASN 90 63.374 -10.820 -0.572 600 1HB ASN 90 HB2 ASN 90 61.463 -9.493 -1.026 601 2HB ASN 90 HB1 ASN 90 62.739 -8.307 -0.775 602 1HD2 ASN 90 HD2 ASN 90 63.644 -7.244 -2.702 603 2HD2 ASN 90 HD2 ASN 90 62.786 -7.225 -4.165 Start of MODEL 4 1 1H ASP 1 HT1 ASP 1 48.252 4.050 3.050 2 2H ASP 1 HT2 ASP 1 49.439 5.011 2.307 3 3H ASP 1 HT3 ASP 1 48.128 4.422 1.400 4 HA ASP 1 HA ASP 1 47.453 6.053 3.726 5 1HB ASP 1 HB2 ASP 1 49.366 7.258 2.928 6 2HB ASP 1 HB1 ASP 1 48.912 6.996 1.245 7 H GLY 2 HN GLY 2 47.271 6.131 0.142 8 1HA GLY 2 HA2 GLY 2 44.292 6.033 0.426 9 2HA GLY 2 HA1 GLY 2 45.094 7.040 -0.781 10 H SER 3 HN SER 3 46.339 5.904 -2.477 11 HA SER 3 HA SER 3 45.964 3.013 -2.805 12 1HB SER 3 HB2 SER 3 44.612 3.477 -4.958 13 2HB SER 3 HB1 SER 3 43.765 3.676 -3.426 14 HG SER 3 HG SER 3 43.408 5.475 -4.727 15 H CYS 4 HN CYS 4 48.313 4.541 -2.770 16 HA CYS 4 HA CYS 4 49.314 5.599 -5.161 17 1HB CYS 4 HB2 CYS 4 50.247 4.824 -2.656 18 2HB CYS 4 HB1 CYS 4 51.187 3.832 -3.771 19 H THR 5 HN THR 5 49.437 2.162 -4.137 20 HA THR 5 HA THR 5 49.406 0.203 -5.465 21 HB THR 5 HB THR 5 49.227 2.024 -7.873 22 HG1 THR 5 HG1 THR 5 47.215 1.296 -6.017 23 1HG2 THR 5 HG21 THR 5 47.828 0.145 -8.717 24 2HG2 THR 5 HG22 THR 5 48.143 -0.728 -7.218 25 3HG2 THR 5 HG23 THR 5 49.472 -0.363 -8.321 26 H ASN 6 HN ASN 6 51.692 2.614 -5.434 27 HA ASN 6 HA ASN 6 53.936 2.735 -6.214 28 1HB ASN 6 HB2 ASN 6 54.168 0.964 -4.625 29 2HB ASN 6 HB1 ASN 6 53.263 -0.159 -5.634 30 1HD2 ASN 6 HD2 ASN 6 56.398 1.388 -5.176 31 2HD2 ASN 6 HD2 ASN 6 57.253 0.388 -6.247 32 H THR 7 HN THR 7 51.791 2.595 -8.253 33 HA THR 7 HA THR 7 51.714 2.443 -10.621 34 HB THR 7 HB THR 7 54.448 1.219 -10.647 35 HG1 THR 7 HG1 THR 7 53.751 3.699 -9.546 36 1HG2 THR 7 HG21 THR 7 52.747 2.523 -12.466 37 2HG2 THR 7 HG22 THR 7 54.426 2.058 -12.735 38 3HG2 THR 7 HG23 THR 7 54.044 3.671 -12.134 39 H ASN 8 HN ASN 8 50.235 0.620 -9.720 40 HA ASN 8 HA ASN 8 49.398 -1.562 -10.094 41 1HB ASN 8 HB2 ASN 8 51.429 -1.045 -12.093 42 2HB ASN 8 HB1 ASN 8 51.467 -2.738 -11.610 43 1HD2 ASN 8 HD2 ASN 8 49.962 -0.639 -13.750 44 2HD2 ASN 8 HD2 ASN 8 48.548 -1.530 -14.044 45 H SER 9 HN SER 9 49.740 -2.189 -7.876 46 HA SER 9 HA SER 9 51.748 -4.275 -7.482 47 1HB SER 9 HB2 SER 9 53.216 -3.098 -6.089 48 2HB SER 9 HB1 SER 9 52.794 -1.862 -7.268 49 HG SER 9 HG SER 9 52.537 -1.638 -4.735 50 H GLN 10 HN GLN 10 51.700 -3.488 -4.501 51 HA GLN 10 HA GLN 10 48.874 -4.331 -3.936 52 1HB GLN 10 HB2 GLN 10 51.456 -5.556 -3.383 53 2HB GLN 10 HB1 GLN 10 50.549 -5.285 -1.895 54 1HG GLN 10 HG2 GLN 10 49.602 -7.292 -2.465 55 2HG GLN 10 HG1 GLN 10 48.566 -6.254 -3.446 56 1HE2 GLN 10 HE21 GLN 10 50.894 -8.806 -3.577 57 2HE2 GLN 10 HE22 GLN 10 51.068 -8.857 -5.265 58 H LEU 11 HN LEU 11 51.811 -2.833 -2.536 59 HA LEU 11 HA LEU 11 52.004 -1.301 -0.729 60 1HB LEU 11 HB2 LEU 11 51.178 -0.088 -2.822 61 2HB LEU 11 HB1 LEU 11 49.563 -0.161 -2.118 62 HG LEU 11 HG LEU 11 50.214 1.172 -0.245 63 1HD1 LEU 11 HD1 LEU 11 52.303 0.393 0.447 64 2HD1 LEU 11 HD1 LEU 11 52.720 1.966 -0.236 65 3HD1 LEU 11 HD1 LEU 11 52.989 0.497 -1.174 66 1HD2 LEU 11 HD2 LEU 11 51.103 2.092 -2.945 67 2HD2 LEU 11 HD2 LEU 11 51.545 3.092 -1.560 68 3HD2 LEU 11 HD2 LEU 11 49.847 2.748 -1.894 69 H SER 12 HN SER 12 51.305 -2.839 0.951 70 HA SER 12 HA SER 12 48.742 -3.538 1.744 71 1HB SER 12 HB2 SER 12 49.720 -3.646 4.013 72 2HB SER 12 HB1 SER 12 50.855 -4.240 2.805 73 HG SER 12 HG SER 12 50.792 -1.699 4.067 74 H ALA 13 HN ALA 13 47.378 -2.591 3.519 75 HA ALA 13 HA ALA 13 46.757 0.194 2.971 76 1HB ALA 13 HB1 ALA 13 44.804 -0.696 3.676 77 2HB ALA 13 HB2 ALA 13 45.458 -0.716 5.315 78 3HB ALA 13 HB3 ALA 13 45.638 -2.130 4.276 79 H ASN 14 HN ASN 14 48.922 -1.375 5.133 80 HA ASN 14 HA ASN 14 48.876 0.842 7.105 81 1HB ASN 14 HB2 ASN 14 49.009 -1.586 7.731 82 2HB ASN 14 HB1 ASN 14 50.580 -1.663 6.933 83 1HD2 ASN 14 HD2 ASN 14 52.250 -0.007 7.786 84 2HD2 ASN 14 HD2 ASN 14 52.217 0.344 9.447 85 H SER 15 HN SER 15 50.410 0.157 4.163 86 HA SER 15 HA SER 15 53.062 1.191 4.756 87 1HB SER 15 HB2 SER 15 52.872 -0.227 2.883 88 2HB SER 15 HB1 SER 15 51.411 0.569 2.312 89 HG SER 15 HG SER 15 52.609 2.262 1.603 90 H LYS 16 HN LYS 16 53.689 3.174 3.128 91 HA LYS 16 HA LYS 16 51.621 5.318 3.354 92 1HB LYS 16 HB2 LYS 16 53.138 5.225 5.372 93 2HB LYS 16 HB1 LYS 16 54.495 5.558 4.294 94 1HG LYS 16 HG2 LYS 16 52.644 7.502 3.596 95 2HG LYS 16 HG1 LYS 16 52.469 7.388 5.347 96 1HD LYS 16 HD2 LYS 16 54.225 8.891 5.233 97 2HD LYS 16 HD1 LYS 16 55.130 7.377 5.258 98 1HE LYS 16 HE2 LYS 16 56.054 8.613 3.432 99 2HE LYS 16 HE1 LYS 16 54.948 7.453 2.669 100 1HZ LYS 16 HZ1 LYS 16 54.349 9.528 1.785 101 2HZ LYS 16 HZ2 LYS 16 54.460 10.308 3.291 102 3HZ LYS 16 HZ3 LYS 16 53.188 9.224 2.984 103 H CYS 17 HN CYS 17 51.593 6.543 1.499 104 HA CYS 17 HA CYS 17 54.070 6.666 -0.172 105 1HB CYS 17 HB2 CYS 17 52.399 4.857 -0.850 106 2HB CYS 17 HB1 CYS 17 51.283 6.162 -1.245 107 H GLU 18 HN GLU 18 54.026 8.501 -1.693 108 HA GLU 18 HA GLU 18 51.911 10.476 -1.648 109 1HB GLU 18 HB2 GLU 18 52.742 10.710 0.649 110 2HB GLU 18 HB1 GLU 18 54.389 10.921 0.053 111 1HG GLU 18 HG2 GLU 18 53.660 12.957 -1.174 112 2HG GLU 18 HG1 GLU 18 52.041 12.761 -0.500 113 H LYS 19 HN LYS 19 55.312 11.400 -1.475 114 HA LYS 19 HA LYS 19 55.243 11.914 -4.431 115 1HB LYS 19 HB2 LYS 19 56.136 13.408 -2.029 116 2HB LYS 19 HB1 LYS 19 57.197 13.530 -3.433 117 1HG LYS 19 HG2 LYS 19 54.702 13.824 -4.565 118 2HG LYS 19 HG1 LYS 19 54.510 14.648 -3.017 119 1HD LYS 19 HD2 LYS 19 55.897 16.343 -3.612 120 2HD LYS 19 HD1 LYS 19 57.050 15.247 -4.377 121 1HE LYS 19 HE2 LYS 19 56.123 16.605 -6.146 122 2HE LYS 19 HE1 LYS 19 55.342 15.017 -6.285 123 1HZ LYS 19 HZ1 LYS 19 53.714 16.069 -4.557 124 2HZ LYS 19 HZ2 LYS 19 53.513 16.371 -6.217 125 3HZ LYS 19 HZ3 LYS 19 54.257 17.530 -5.222 126 H SER 20 HN SER 20 56.013 9.521 -4.432 127 HA SER 20 HA SER 20 58.975 9.400 -3.957 128 1HB SER 20 HB2 SER 20 57.719 6.829 -4.254 129 2HB SER 20 HB1 SER 20 58.529 7.491 -2.838 130 HG SER 20 HG SER 20 55.971 7.031 -3.142 131 H THR 21 HN THR 21 59.493 7.103 -5.409 132 HA THR 21 HA THR 21 58.433 7.463 -8.159 133 HB THR 21 HB THR 21 60.301 9.054 -7.971 134 HG1 THR 21 HG1 THR 21 61.489 6.888 -9.265 135 1HG2 THR 21 HG21 THR 21 61.663 8.395 -6.227 136 2HG2 THR 21 HG22 THR 21 62.615 7.800 -7.587 137 3HG2 THR 21 HG23 THR 21 61.591 6.692 -6.676 138 H LEU 22 HN LEU 22 57.780 5.315 -6.798 139 HA LEU 22 HA LEU 22 59.839 3.236 -6.827 140 1HB LEU 22 HB2 LEU 22 56.866 2.918 -6.421 141 2HB LEU 22 HB1 LEU 22 58.168 1.943 -5.745 142 HG LEU 22 HG LEU 22 57.511 4.817 -5.039 143 1HD1 LEU 22 HD1 LEU 22 56.055 3.072 -4.036 144 2HD1 LEU 22 HD1 LEU 22 57.060 3.861 -2.820 145 3HD1 LEU 22 HD1 LEU 22 57.487 2.256 -3.412 146 1HD2 LEU 22 HD2 LEU 22 59.468 4.935 -3.797 147 2HD2 LEU 22 HD2 LEU 22 60.027 3.943 -5.140 148 3HD2 LEU 22 HD2 LEU 22 59.579 3.186 -3.614 149 H THR 23 HN THR 23 58.675 1.010 -7.664 150 HA THR 23 HA THR 23 57.335 1.240 -10.251 151 HB THR 23 HB THR 23 60.306 0.824 -9.944 152 HG1 THR 23 HG1 THR 23 59.921 2.029 -12.089 153 1HG2 THR 23 HG21 THR 23 59.881 -1.134 -11.147 154 2HG2 THR 23 HG22 THR 23 60.124 0.044 -12.437 155 3HG2 THR 23 HG23 THR 23 58.490 -0.438 -11.980 156 H ASN 24 HN ASN 24 55.898 -0.372 -9.568 157 HA ASN 24 HA ASN 24 55.142 -2.555 -9.071 158 1HB ASN 24 HB2 ASN 24 57.814 -2.854 -10.396 159 2HB ASN 24 HB1 ASN 24 57.106 -4.284 -9.646 160 1HD2 ASN 24 HD2 ASN 24 54.994 -1.778 -10.946 161 2HD2 ASN 24 HD2 ASN 24 54.455 -2.670 -12.286 162 H CYS 25 HN CYS 25 54.902 -3.102 -6.923 163 HA CYS 25 HA CYS 25 57.116 -4.152 -5.361 164 1HB CYS 25 HB2 CYS 25 56.868 -1.373 -5.513 165 2HB CYS 25 HB1 CYS 25 56.149 -1.775 -3.959 166 H TYR 26 HN TYR 26 55.955 -3.326 -2.812 167 HA TYR 26 HA TYR 26 53.142 -4.214 -2.830 168 1HB TYR 26 HB2 TYR 26 54.383 -6.315 -3.012 169 2HB TYR 26 HB1 TYR 26 55.434 -5.842 -1.677 170 HD1 TYR 26 HD1 TYR 26 52.297 -7.366 -2.611 171 HD2 TYR 26 HD2 TYR 26 54.399 -5.471 0.621 172 HE1 TYR 26 HE1 TYR 26 50.686 -8.335 -0.995 173 HE2 TYR 26 HE2 TYR 26 52.788 -6.442 2.238 174 HH TYR 26 HH TYR 26 51.216 -8.195 2.435 175 H VAL 27 HN VAL 27 56.070 -3.591 -0.953 176 HA VAL 27 HA VAL 27 56.362 -2.637 1.198 177 HB VAL 27 HB VAL 27 54.229 -0.807 0.084 178 1HG1 VAL 27 HG11 VAL 27 56.310 -0.686 2.172 179 2HG1 VAL 27 HG12 VAL 27 54.840 0.271 1.986 180 3HG1 VAL 27 HG13 VAL 27 56.293 0.704 1.084 181 1HG2 VAL 27 HG21 VAL 27 56.256 0.293 -1.059 182 2HG2 VAL 27 HG22 VAL 27 55.671 -1.208 -1.783 183 3HG2 VAL 27 HG23 VAL 27 57.109 -1.222 -0.759 184 H ASP 28 HN ASP 28 55.511 -3.974 2.820 185 HA ASP 28 HA ASP 28 52.599 -3.972 3.355 186 1HB ASP 28 HB2 ASP 28 54.408 -5.909 3.502 187 2HB ASP 28 HB1 ASP 28 54.698 -5.224 5.100 188 H LYS 29 HN LYS 29 53.736 -4.254 6.345 189 HA LYS 29 HA LYS 29 52.994 -1.631 7.229 190 1HB LYS 29 HB2 LYS 29 54.229 -4.111 8.304 191 2HB LYS 29 HB1 LYS 29 54.558 -2.643 9.224 192 1HG LYS 29 HG2 LYS 29 52.370 -2.378 9.853 193 2HG LYS 29 HG1 LYS 29 51.748 -3.051 8.346 194 1HD LYS 29 HD2 LYS 29 51.891 -5.235 9.098 195 2HD LYS 29 HD1 LYS 29 53.223 -4.878 10.199 196 1HE LYS 29 HE2 LYS 29 51.449 -5.129 11.711 197 2HE LYS 29 HE1 LYS 29 51.375 -3.381 11.406 198 1HZ LYS 29 HZ1 LYS 29 49.914 -5.412 9.806 199 2HZ LYS 29 HZ2 LYS 29 49.767 -3.723 9.694 200 3HZ LYS 29 HZ3 LYS 29 49.215 -4.537 11.079 201 H SER 30 HN SER 30 54.344 -0.292 5.704 202 HA SER 30 HA SER 30 57.035 0.204 6.875 203 1HB SER 30 HB2 SER 30 56.372 -0.679 4.073 204 2HB SER 30 HB1 SER 30 57.855 0.208 4.418 205 HG SER 30 HG SER 30 57.052 -2.356 5.199 206 H GLU 31 HN GLU 31 57.936 2.260 6.198 207 HA GLU 31 HA GLU 31 55.885 4.196 5.166 208 1HB GLU 31 HB2 GLU 31 57.657 4.112 7.514 209 2HB GLU 31 HB1 GLU 31 57.767 5.628 6.617 210 1HG GLU 31 HG2 GLU 31 55.498 6.129 6.932 211 2HG GLU 31 HG1 GLU 31 55.075 4.450 7.269 212 H VAL 32 HN VAL 32 56.488 4.786 3.116 213 HA VAL 32 HA VAL 32 59.420 4.966 2.511 214 HB VAL 32 HB VAL 32 57.045 4.429 0.701 215 1HG1 VAL 32 HG11 VAL 32 59.762 5.129 0.185 216 2HG1 VAL 32 HG12 VAL 32 58.515 4.681 -0.979 217 3HG1 VAL 32 HG13 VAL 32 59.544 3.438 -0.262 218 1HG2 VAL 32 HG21 VAL 32 57.674 2.705 2.557 219 2HG2 VAL 32 HG22 VAL 32 59.115 2.416 1.582 220 3HG2 VAL 32 HG23 VAL 32 57.516 2.123 0.899 221 H TYR 33 HN TYR 33 60.082 6.726 1.079 222 HA TYR 33 HA TYR 33 58.103 8.962 0.833 223 1HB TYR 33 HB2 TYR 33 60.849 8.881 2.069 224 2HB TYR 33 HB1 TYR 33 60.188 10.395 1.457 225 HD1 TYR 33 HD1 TYR 33 58.555 11.607 2.679 226 HD2 TYR 33 HD2 TYR 33 59.512 7.571 3.804 227 HE1 TYR 33 HE1 TYR 33 57.204 11.860 4.743 228 HE2 TYR 33 HE2 TYR 33 58.160 7.826 5.867 229 HH TYR 33 HH TYR 33 56.013 9.533 6.459 230 H GLY 34 HN GLY 34 61.586 8.615 0.033 231 1HA GLY 34 HA2 GLY 34 60.858 9.211 -2.814 232 2HA GLY 34 HA1 GLY 34 62.328 9.821 -2.051 233 H THR 35 HN THR 35 60.931 6.569 -1.837 234 HA THR 35 HA THR 35 63.541 5.372 -2.509 235 HB THR 35 HB THR 35 60.846 4.540 -1.480 236 HG1 THR 35 HG1 THR 35 63.516 4.273 -0.584 237 1HG2 THR 35 HG21 THR 35 61.312 2.752 -2.993 238 2HG2 THR 35 HG22 THR 35 61.735 2.183 -1.380 239 3HG2 THR 35 HG23 THR 35 63.002 2.688 -2.496 240 H THR 36 HN THR 36 63.426 3.402 -4.104 241 HA THR 36 HA THR 36 61.883 4.248 -6.529 242 HB THR 36 HB THR 36 64.354 2.507 -6.383 243 HG1 THR 36 HG1 THR 36 64.354 5.278 -6.884 244 1HG2 THR 36 HG21 THR 36 62.918 4.077 -8.518 245 2HG2 THR 36 HG22 THR 36 63.400 2.381 -8.536 246 3HG2 THR 36 HG23 THR 36 64.619 3.645 -8.697 247 H CYS 37 HN CYS 37 62.184 1.766 -4.193 248 HA CYS 37 HA CYS 37 61.464 -0.512 -4.147 249 1HB CYS 37 HB2 CYS 37 59.475 1.444 -4.505 250 2HB CYS 37 HB1 CYS 37 59.018 0.126 -5.581 251 H THR 38 HN THR 38 63.216 -0.739 -6.073 252 HA THR 38 HA THR 38 62.270 -1.113 -8.757 253 HB THR 38 HB THR 38 64.608 -2.346 -7.263 254 HG1 THR 38 HG1 THR 38 64.768 -0.124 -8.951 255 1HG2 THR 38 HG21 THR 38 64.334 -3.501 -9.332 256 2HG2 THR 38 HG22 THR 38 65.606 -2.310 -9.606 257 3HG2 THR 38 HG23 THR 38 63.971 -2.007 -10.196 258 H GLY 39 HN GLY 39 60.240 -2.357 -8.215 259 1HA GLY 39 HA2 GLY 39 59.026 -4.361 -8.067 260 2HA GLY 39 HA1 GLY 39 60.403 -5.071 -8.905 261 H SER 40 HN SER 40 60.502 -3.588 -5.695 262 HA SER 40 HA SER 40 61.362 -6.237 -4.583 263 1HB SER 40 HB2 SER 40 62.519 -4.858 -2.927 264 2HB SER 40 HB1 SER 40 62.913 -4.269 -4.538 265 HG SER 40 HG SER 40 61.488 -3.083 -2.501 266 H ARG 41 HN ARG 41 60.902 -4.821 -1.871 267 HA ARG 41 HA ARG 41 58.133 -4.275 -1.509 268 1HB ARG 41 HB2 ARG 41 57.625 -6.449 -2.287 269 2HB ARG 41 HB1 ARG 41 59.013 -7.162 -1.465 270 1HG ARG 41 HG2 ARG 41 57.984 -6.948 0.675 271 2HG ARG 41 HG1 ARG 41 56.738 -5.869 0.049 272 1HD ARG 41 HD2 ARG 41 55.597 -7.623 -1.050 273 2HD ARG 41 HD1 ARG 41 57.009 -8.696 -0.986 274 HE ARG 41 HE ARG 41 55.263 -8.012 1.322 275 1HH1 ARG 41 HH1 ARG 41 56.142 -10.762 0.074 276 2HH1 ARG 41 HH1 ARG 41 57.148 -11.346 1.358 277 1HH2 ARG 41 HH2 ARG 41 57.353 -8.277 2.954 278 2HH2 ARG 41 HH2 ARG 41 57.831 -9.941 2.988 279 H PHE 42 HN PHE 42 57.593 -4.077 0.755 280 HA PHE 42 HA PHE 42 59.944 -4.343 2.604 281 1HB PHE 42 HB2 PHE 42 57.663 -2.340 2.653 282 2HB PHE 42 HB1 PHE 42 59.100 -2.316 3.673 283 HD1 PHE 42 HD1 PHE 42 58.060 -0.150 1.669 284 HD2 PHE 42 HD2 PHE 42 61.001 -3.268 1.396 285 HE1 PHE 42 HE1 PHE 42 59.273 1.147 -0.060 286 HE2 PHE 42 HE2 PHE 42 62.215 -1.972 -0.335 287 HZ PHE 42 HZ PHE 42 61.352 0.235 -1.059 288 H ASP 43 HN ASP 43 59.186 -4.523 4.953 289 HA ASP 43 HA ASP 43 56.477 -5.572 5.393 290 1HB ASP 43 HB2 ASP 43 58.309 -7.316 4.414 291 2HB ASP 43 HB1 ASP 43 58.624 -7.483 6.141 292 H GLY 44 HN GLY 44 56.886 -3.554 6.787 293 1HA GLY 44 HA2 GLY 44 56.813 -3.082 9.156 294 2HA GLY 44 HA1 GLY 44 57.858 -4.475 9.431 295 H VAL 45 HN VAL 45 58.204 -1.621 7.262 296 HA VAL 45 HA VAL 45 60.768 -1.048 8.717 297 HB VAL 45 HB VAL 45 61.937 -0.984 6.684 298 1HG1 VAL 45 HG11 VAL 45 61.264 -3.005 5.403 299 2HG1 VAL 45 HG12 VAL 45 59.727 -3.019 6.269 300 3HG1 VAL 45 HG13 VAL 45 61.233 -3.288 7.145 301 1HG2 VAL 45 HG21 VAL 45 59.291 -0.202 5.596 302 2HG2 VAL 45 HG22 VAL 45 60.312 -1.143 4.509 303 3HG2 VAL 45 HG23 VAL 45 60.899 0.382 5.171 304 H THR 46 HN THR 46 61.553 1.151 7.278 305 HA THR 46 HA THR 46 59.369 3.100 7.020 306 HB THR 46 HB THR 46 61.376 3.136 9.300 307 HG1 THR 46 HG1 THR 46 59.078 3.522 10.258 308 1HG2 THR 46 HG21 THR 46 59.716 5.286 8.052 309 2HG2 THR 46 HG22 THR 46 61.311 5.389 8.798 310 3HG2 THR 46 HG23 THR 46 59.872 5.275 9.810 311 H ILE 47 HN ILE 47 60.963 2.461 4.995 312 HA ILE 47 HA ILE 47 63.523 3.807 4.900 313 HB ILE 47 HB ILE 47 62.872 1.860 3.532 314 1HG1 ILE 47 HG12 ILE 47 63.193 4.181 1.631 315 2HG1 ILE 47 HG11 ILE 47 64.501 3.711 2.716 316 1HG2 ILE 47 HG21 ILE 47 61.227 3.407 1.653 317 2HG2 ILE 47 HG22 ILE 47 60.480 3.207 3.239 318 3HG2 ILE 47 HG23 ILE 47 60.965 1.789 2.307 319 1HD1 ILE 47 HD1 ILE 47 65.081 2.143 1.205 320 2HD1 ILE 47 HD1 ILE 47 63.627 2.445 0.256 321 3HD1 ILE 47 HD1 ILE 47 63.582 1.303 1.600 322 H THR 48 HN THR 48 63.860 5.514 3.086 323 HA THR 48 HA THR 48 61.577 7.442 2.977 324 HB THR 48 HB THR 48 63.644 9.113 3.331 325 HG1 THR 48 HG1 THR 48 64.809 7.830 5.128 326 1HG2 THR 48 HG21 THR 48 61.692 7.821 5.066 327 2HG2 THR 48 HG22 THR 48 62.209 9.508 5.023 328 3HG2 THR 48 HG23 THR 48 63.132 8.325 5.952 329 H THR 49 HN THR 49 64.843 8.218 1.993 330 HA THR 49 HA THR 49 63.952 8.080 -0.861 331 HB THR 49 HB THR 49 65.842 9.864 0.683 332 HG1 THR 49 HG1 THR 49 64.219 11.165 0.526 333 1HG2 THR 49 HG21 THR 49 67.100 9.678 -1.243 334 2HG2 THR 49 HG22 THR 49 65.971 10.937 -1.751 335 3HG2 THR 49 HG23 THR 49 65.705 9.262 -2.239 336 H SER 50 HN SER 50 64.721 5.671 -0.361 337 HA SER 50 HA SER 50 67.687 5.472 -0.721 338 1HB SER 50 HB2 SER 50 67.129 4.182 1.123 339 2HB SER 50 HB1 SER 50 65.514 3.837 0.513 340 HG SER 50 HG SER 50 67.990 2.686 -0.216 341 H THR 51 HN THR 51 68.508 4.378 -2.515 342 HA THR 51 HA THR 51 66.618 3.922 -4.755 343 HB THR 51 HB THR 51 69.590 3.517 -4.836 344 HG1 THR 51 HG1 THR 51 68.538 6.082 -5.133 345 1HG2 THR 51 HG21 THR 51 68.726 3.226 -6.959 346 2HG2 THR 51 HG22 THR 51 69.013 4.967 -6.987 347 3HG2 THR 51 HG23 THR 51 67.392 4.345 -6.681 348 H SER 52 HN SER 52 67.049 2.020 -2.328 349 HA SER 52 HA SER 52 68.348 -0.343 -2.773 350 1HB SER 52 HB2 SER 52 66.281 0.534 -1.209 351 2HB SER 52 HB1 SER 52 65.472 -0.681 -2.192 352 HG SER 52 HG SER 52 67.776 -0.981 -0.564 353 H THR 53 HN THR 53 68.459 -1.813 -4.431 354 HA THR 53 HA THR 53 66.269 -1.747 -6.483 355 HB THR 53 HB THR 53 69.104 -2.786 -6.743 356 HG1 THR 53 HG1 THR 53 68.490 -0.368 -7.877 357 1HG2 THR 53 HG21 THR 53 67.058 -3.255 -8.385 358 2HG2 THR 53 HG22 THR 53 68.679 -2.944 -9.006 359 3HG2 THR 53 HG23 THR 53 67.481 -1.649 -8.978 360 H GLY 54 HN GLY 54 64.865 -3.375 -5.748 361 1HA GLY 54 HA2 GLY 54 64.127 -5.560 -5.336 362 2HA GLY 54 HA1 GLY 54 65.577 -6.102 -6.183 363 H SER 55 HN SER 55 64.431 -4.951 -3.017 364 HA SER 55 HA SER 55 66.351 -6.811 -1.718 365 1HB SER 55 HB2 SER 55 66.918 -4.761 -0.201 366 2HB SER 55 HB1 SER 55 67.676 -4.866 -1.788 367 HG SER 55 HG SER 55 66.187 -3.414 -2.572 368 H ARG 56 HN ARG 56 65.155 -7.907 -0.207 369 HA ARG 56 HA ARG 56 62.516 -7.035 0.615 370 1HB ARG 56 HB2 ARG 56 63.827 -9.393 0.446 371 2HB ARG 56 HB1 ARG 56 64.040 -9.069 2.166 372 1HG ARG 56 HG2 ARG 56 61.831 -9.362 2.629 373 2HG ARG 56 HG1 ARG 56 61.313 -8.579 1.137 374 1HD ARG 56 HD2 ARG 56 60.697 -10.811 0.734 375 2HD ARG 56 HD1 ARG 56 62.319 -10.767 0.013 376 HE ARG 56 HE ARG 56 62.834 -11.362 2.652 377 1HH1 ARG 56 HH2 ARG 56 59.942 -12.511 2.265 378 2HH1 ARG 56 HH2 ARG 56 60.328 -14.178 1.997 379 1HH2 ARG 56 HH1 ARG 56 63.696 -13.576 1.425 380 2HH2 ARG 56 HH1 ARG 56 62.455 -14.781 1.518 381 H ILE 57 HN ILE 57 62.497 -5.151 1.852 382 HA ILE 57 HA ILE 57 64.504 -4.707 3.952 383 HB ILE 57 HB ILE 57 61.960 -3.169 3.361 384 1HG1 ILE 57 HG12 ILE 57 63.232 -3.552 1.259 385 2HG1 ILE 57 HG11 ILE 57 63.293 -1.861 1.752 386 1HG2 ILE 57 HG21 ILE 57 63.516 -1.273 4.082 387 2HG2 ILE 57 HG22 ILE 57 64.640 -2.528 4.610 388 3HG2 ILE 57 HG23 ILE 57 63.043 -2.402 5.353 389 1HD1 ILE 57 HD1 ILE 57 65.535 -2.407 1.192 390 2HD1 ILE 57 HD1 ILE 57 65.448 -3.959 2.024 391 3HD1 ILE 57 HD1 ILE 57 65.484 -2.462 2.953 392 H SER 58 HN SER 58 62.125 -6.848 3.873 393 HA SER 58 HA SER 58 60.245 -6.529 5.867 394 1HB SER 58 HB2 SER 58 61.920 -8.714 4.804 395 2HB SER 58 HB1 SER 58 61.249 -9.034 6.401 396 HG SER 58 HG SER 58 59.623 -9.620 5.138 397 H GLY 59 HN GLY 59 60.234 -6.665 8.186 398 1HA GLY 59 HA2 GLY 59 62.170 -7.439 9.959 399 2HA GLY 59 HA1 GLY 59 62.743 -5.846 9.465 400 HA PRO 60 HA PRO 60 59.256 -5.591 12.659 401 1HB PRO 60 HB2 PRO 60 60.684 -5.543 14.991 402 2HB PRO 60 HB1 PRO 60 60.051 -7.043 14.282 403 1HG PRO 60 HG2 PRO 60 62.810 -5.951 14.247 404 2HG PRO 60 HG1 PRO 60 62.259 -7.630 14.336 405 1HD PRO 60 HD2 PRO 60 63.210 -6.412 12.055 406 2HD PRO 60 HD1 PRO 60 62.158 -7.844 12.074 407 H GLY 61 HN GLY 61 60.355 -3.612 11.090 408 1HA GLY 61 HA2 GLY 61 60.023 -1.186 11.675 409 2HA GLY 61 HA1 GLY 61 61.077 -1.480 13.060 410 H CYS 62 HN CYS 62 61.899 -3.129 10.156 411 HA CYS 62 HA CYS 62 64.524 -2.355 9.890 412 1HB CYS 62 HB2 CYS 62 62.811 -3.843 8.466 413 2HB CYS 62 HB1 CYS 62 62.855 -2.433 7.410 414 H LYS 63 HN LYS 63 65.539 -0.410 9.587 415 HA LYS 63 HA LYS 63 63.916 1.894 8.575 416 1HB LYS 63 HB2 LYS 63 66.560 1.914 10.050 417 2HB LYS 63 HB1 LYS 63 65.407 3.237 9.890 418 1HG LYS 63 HG2 LYS 63 64.872 2.487 12.011 419 2HG LYS 63 HG1 LYS 63 63.767 1.502 11.050 420 1HD LYS 63 HD2 LYS 63 64.807 -0.401 11.670 421 2HD LYS 63 HD1 LYS 63 66.389 0.259 11.252 422 1HE LYS 63 HE2 LYS 63 66.864 0.676 13.431 423 2HE LYS 63 HE1 LYS 63 65.311 1.505 13.666 424 1HZ LYS 63 HZ1 LYS 63 65.227 -1.384 13.275 425 2HZ LYS 63 HZ2 LYS 63 64.269 -0.396 14.272 426 3HZ LYS 63 HZ3 LYS 63 65.833 -0.844 14.764 427 H ILE 64 HN ILE 64 64.678 3.093 6.823 428 HA ILE 64 HA ILE 64 67.337 2.419 5.658 429 HB ILE 64 HB ILE 64 64.686 2.406 4.170 430 1HG1 ILE 64 HG12 ILE 64 65.232 0.399 5.683 431 2HG1 ILE 64 HG11 ILE 64 64.925 0.035 3.987 432 1HG2 ILE 64 HG21 ILE 64 66.274 3.155 2.616 433 2HG2 ILE 64 HG22 ILE 64 66.315 1.407 2.379 434 3HG2 ILE 64 HG23 ILE 64 67.568 2.198 3.334 435 1HD1 ILE 64 HD1 ILE 64 66.982 -0.841 3.758 436 2HD1 ILE 64 HD1 ILE 64 67.239 -0.604 5.486 437 3HD1 ILE 64 HD1 ILE 64 67.717 0.651 4.343 438 H SER 65 HN SER 65 68.340 4.368 5.227 439 HA SER 65 HA SER 65 66.605 6.696 4.491 440 1HB SER 65 HB2 SER 65 67.344 7.851 6.300 441 2HB SER 65 HB1 SER 65 67.818 6.276 6.928 442 HG SER 65 HG SER 65 69.353 8.350 6.103 443 H THR 66 HN THR 66 67.250 7.459 2.554 444 HA THR 66 HA THR 66 68.604 7.695 0.619 445 HB THR 66 HB THR 66 70.515 8.675 2.746 446 HG1 THR 66 HG1 THR 66 69.149 10.219 3.155 447 1HG2 THR 66 HG21 THR 66 71.543 9.784 1.052 448 2HG2 THR 66 HG22 THR 66 70.010 10.211 0.286 449 3HG2 THR 66 HG23 THR 66 70.724 8.620 0.007 450 H CYS 67 HN CYS 67 68.778 5.051 1.182 451 HA CYS 67 HA CYS 67 71.720 4.475 1.043 452 1HB CYS 67 HB2 CYS 67 70.214 3.625 3.017 453 2HB CYS 67 HB1 CYS 67 69.621 2.461 1.839 454 H ILE 68 HN ILE 68 72.163 4.199 -1.102 455 HA ILE 68 HA ILE 68 70.365 3.573 -3.164 456 HB ILE 68 HB ILE 68 73.321 3.148 -2.724 457 1HG1 ILE 68 HG12 ILE 68 73.275 4.867 -4.667 458 2HG1 ILE 68 HG11 ILE 68 71.562 5.043 -4.284 459 1HG2 ILE 68 HG21 ILE 68 71.659 1.853 -4.717 460 2HG2 ILE 68 HG22 ILE 68 73.388 1.669 -4.426 461 3HG2 ILE 68 HG23 ILE 68 72.805 2.953 -5.485 462 1HD1 ILE 68 HD1 ILE 68 72.016 5.832 -2.095 463 2HD1 ILE 68 HD1 ILE 68 73.188 6.665 -3.116 464 3HD1 ILE 68 HD1 ILE 68 73.688 5.274 -2.152 465 H ILE 69 HN ILE 69 72.711 1.223 -1.829 466 HA ILE 69 HA ILE 69 72.541 -1.112 -1.558 467 HB ILE 69 HB ILE 69 69.569 -0.598 -1.391 468 1HG1 ILE 69 HG12 ILE 69 71.659 -0.031 0.741 469 2HG1 ILE 69 HG11 ILE 69 70.719 1.184 -0.123 470 1HG2 ILE 69 HG21 ILE 69 69.647 -2.379 0.260 471 2HG2 ILE 69 HG22 ILE 69 71.409 -2.413 0.191 472 3HG2 ILE 69 HG23 ILE 69 70.462 -2.928 -1.204 473 1HD1 ILE 69 HD1 ILE 69 69.877 0.411 2.214 474 2HD1 ILE 69 HD1 ILE 69 69.339 -1.039 1.366 475 3HD1 ILE 69 HD1 ILE 69 68.704 0.539 0.904 476 H THR 70 HN THR 70 71.828 -3.076 -2.756 477 HA THR 70 HA THR 70 70.051 -2.832 -5.053 478 HB THR 70 HB THR 70 73.055 -2.687 -5.350 479 HG1 THR 70 HG1 THR 70 72.540 -0.887 -6.522 480 1HG2 THR 70 HG21 THR 70 72.271 -2.841 -7.902 481 2HG2 THR 70 HG22 THR 70 71.016 -3.852 -7.187 482 3HG2 THR 70 HG23 THR 70 72.714 -4.278 -6.979 483 H GLY 71 HN GLY 71 69.135 -4.856 -4.699 484 1HA GLY 71 HA2 GLY 71 69.083 -7.210 -5.052 485 2HA GLY 71 HA1 GLY 71 70.840 -7.198 -5.194 486 H GLY 72 HN GLY 72 69.237 -5.679 -2.481 487 1HA GLY 72 HA2 GLY 72 68.956 -6.468 -0.261 488 2HA GLY 72 HA1 GLY 72 69.625 -8.023 -0.751 489 H VAL 73 HN VAL 73 71.519 -5.439 -1.834 490 HA VAL 73 HA VAL 73 73.418 -5.797 0.472 491 HB VAL 73 HB VAL 73 75.171 -5.623 -1.215 492 1HG1 VAL 73 HG11 VAL 73 74.897 -7.761 -1.929 493 2HG1 VAL 73 HG12 VAL 73 73.391 -7.378 -2.763 494 3HG1 VAL 73 HG13 VAL 73 73.379 -7.717 -1.032 495 1HG2 VAL 73 HG21 VAL 73 72.876 -4.600 -2.795 496 2HG2 VAL 73 HG22 VAL 73 74.031 -5.597 -3.682 497 3HG2 VAL 73 HG23 VAL 73 74.578 -4.138 -2.856 498 HA PRO 74 HA PRO 74 72.991 -1.380 0.756 499 1HB PRO 74 HB2 PRO 74 74.931 -0.965 2.633 500 2HB PRO 74 HB1 PRO 74 73.338 -1.636 3.023 501 1HG PRO 74 HG2 PRO 74 75.950 -3.007 2.738 502 2HG PRO 74 HG1 PRO 74 74.595 -3.370 3.816 503 1HD PRO 74 HD2 PRO 74 75.186 -4.739 1.485 504 2HD PRO 74 HD1 PRO 74 73.604 -4.731 2.293 505 H ALA 75 HN ALA 75 73.979 0.303 -0.347 506 HA ALA 75 HA ALA 75 76.698 -0.213 -1.490 507 1HB ALA 75 HB1 ALA 75 74.853 1.937 -2.455 508 2HB ALA 75 HB2 ALA 75 74.395 0.263 -2.766 509 3HB ALA 75 HB3 ALA 75 75.925 0.886 -3.381 510 HA PRO 76 HA PRO 76 78.342 3.180 0.767 511 1HB PRO 76 HB2 PRO 76 80.116 4.234 -1.035 512 2HB PRO 76 HB1 PRO 76 80.396 2.699 -0.187 513 1HG PRO 76 HG2 PRO 76 79.440 3.180 -2.964 514 2HG PRO 76 HG1 PRO 76 80.533 1.933 -2.345 515 1HD PRO 76 HD2 PRO 76 77.903 1.483 -2.933 516 2HD PRO 76 HD1 PRO 76 78.817 0.553 -1.724 517 H SER 77 HN SER 77 77.244 5.071 1.174 518 HA SER 77 HA SER 77 76.638 6.877 -1.136 519 1HB SER 77 HB2 SER 77 74.779 5.267 -0.116 520 2HB SER 77 HB1 SER 77 74.683 6.532 1.105 521 HG SER 77 HG SER 77 73.607 7.649 -0.296 522 H ALA 78 HN ALA 78 78.227 6.578 1.730 523 HA ALA 78 HA ALA 78 79.002 8.131 3.341 524 1HB ALA 78 HB1 ALA 78 79.686 9.047 1.063 525 2HB ALA 78 HB2 ALA 78 79.571 10.251 2.347 526 3HB ALA 78 HB3 ALA 78 78.278 10.103 1.157 527 H ALA 79 HN ALA 79 75.992 7.571 3.068 528 HA ALA 79 HA ALA 79 75.118 9.626 4.983 529 1HB ALA 79 HB1 ALA 79 74.305 9.514 2.099 530 2HB ALA 79 HB2 ALA 79 74.596 10.921 3.121 531 3HB ALA 79 HB3 ALA 79 73.100 10.003 3.290 532 H CYS 80 HN CYS 80 74.276 6.896 2.888 533 HA CYS 80 HA CYS 80 71.857 5.986 3.772 534 1HB CYS 80 HB2 CYS 80 73.007 4.702 2.190 535 2HB CYS 80 HB1 CYS 80 74.474 4.650 3.141 536 H LYS 81 HN LYS 81 71.184 4.511 5.467 537 HA LYS 81 HA LYS 81 72.592 4.980 8.056 538 1HB LYS 81 HB2 LYS 81 70.411 4.387 8.998 539 2HB LYS 81 HB1 LYS 81 70.171 5.564 7.706 540 1HG LYS 81 HG2 LYS 81 68.605 4.023 7.033 541 2HG LYS 81 HG1 LYS 81 70.011 3.311 6.243 542 1HD LYS 81 HD2 LYS 81 69.952 2.386 8.949 543 2HD LYS 81 HD1 LYS 81 68.349 2.154 8.253 544 1HE LYS 81 HE2 LYS 81 70.862 1.305 6.782 545 2HE LYS 81 HE1 LYS 81 69.989 0.219 7.879 546 1HZ LYS 81 HZ1 LYS 81 67.933 0.918 6.608 547 2HZ LYS 81 HZ2 LYS 81 69.010 -0.111 5.792 548 3HZ LYS 81 HZ3 LYS 81 68.982 1.550 5.435 549 H ILE 82 HN ILE 82 71.750 2.804 9.508 550 HA ILE 82 HA ILE 82 71.868 0.257 8.262 551 HB ILE 82 HB ILE 82 74.247 1.645 7.996 552 1HG1 ILE 82 HG12 ILE 82 75.180 -0.643 7.429 553 2HG1 ILE 82 HG11 ILE 82 73.666 -1.324 8.025 554 1HG2 ILE 82 HG21 ILE 82 74.459 1.110 10.580 555 2HG2 ILE 82 HG22 ILE 82 75.855 0.942 9.513 556 3HG2 ILE 82 HG23 ILE 82 74.931 -0.484 9.989 557 1HD1 ILE 82 HD1 ILE 82 74.006 0.625 5.725 558 2HD1 ILE 82 HD1 ILE 82 72.441 0.171 6.400 559 3HD1 ILE 82 HD1 ILE 82 73.456 -1.048 5.629 560 H SER 83 HN SER 83 70.709 1.700 10.584 561 HA SER 83 HA SER 83 71.855 0.676 13.032 562 1HB SER 83 HB2 SER 83 70.484 2.618 13.101 563 2HB SER 83 HB1 SER 83 69.202 1.840 12.177 564 HG SER 83 HG SER 83 69.283 2.012 14.720 565 H GLY 84 HN GLY 84 68.492 -0.060 12.730 566 1HA GLY 84 HA2 GLY 84 69.165 -2.965 12.861 567 2HA GLY 84 HA1 GLY 84 67.735 -2.240 13.596 568 H CYS 85 HN CYS 85 69.044 -3.623 10.729 569 HA CYS 85 HA CYS 85 66.382 -3.690 9.504 570 1HB CYS 85 HB2 CYS 85 67.956 -1.485 9.055 571 2HB CYS 85 HB1 CYS 85 68.419 -2.519 7.708 572 H THR 86 HN THR 86 67.271 -4.287 6.879 573 HA THR 86 HA THR 86 69.448 -6.027 6.552 574 HB THR 86 HB THR 86 68.625 -7.398 8.334 575 HG1 THR 86 HG1 THR 86 67.696 -8.458 5.879 576 1HG2 THR 86 HG21 THR 86 66.455 -7.365 8.934 577 2HG2 THR 86 HG22 THR 86 66.003 -8.113 7.401 578 3HG2 THR 86 HG23 THR 86 66.112 -6.358 7.528 579 H PHE 87 HN PHE 87 69.371 -7.043 4.481 580 HA PHE 87 HA PHE 87 66.869 -6.489 2.913 581 1HB PHE 87 HB2 PHE 87 69.541 -6.623 1.573 582 2HB PHE 87 HB1 PHE 87 68.148 -5.620 1.187 583 HD1 PHE 87 HD1 PHE 87 71.309 -5.087 1.759 584 HD2 PHE 87 HD2 PHE 87 67.618 -4.346 3.841 585 HE1 PHE 87 HE1 PHE 87 72.359 -3.193 2.960 586 HE2 PHE 87 HE2 PHE 87 68.676 -2.448 5.039 587 HZ PHE 87 HZ PHE 87 71.047 -1.871 4.599 588 H SER 88 HN SER 88 66.193 -8.188 1.548 589 HA SER 88 HA SER 88 67.819 -10.709 1.685 590 1HB SER 88 HB2 SER 88 65.476 -10.311 2.902 591 2HB SER 88 HB1 SER 88 64.852 -10.705 1.304 592 HG SER 88 HG SER 88 66.577 -12.507 1.601 593 H ALA 89 HN ALA 89 67.135 -8.317 -0.374 594 HA ALA 89 HA ALA 89 67.158 -8.198 -2.736 595 1HB ALA 89 HB1 ALA 89 67.460 -11.181 -2.823 596 2HB ALA 89 HB2 ALA 89 68.747 -10.226 -2.088 597 3HB ALA 89 HB3 ALA 89 68.295 -9.949 -3.770 598 H ASN 90 HN ASN 90 64.696 -7.904 -2.048 599 HA ASN 90 HA ASN 90 63.009 -10.138 -3.074 600 1HB ASN 90 HB2 ASN 90 62.529 -9.150 -0.866 601 2HB ASN 90 HB1 ASN 90 62.355 -7.559 -1.595 602 1HD2 ASN 90 HD2 ASN 90 60.638 -7.568 -3.506 603 2HD2 ASN 90 HD2 ASN 90 59.219 -8.450 -3.212 Start of MODEL 5 1 1H ASP 1 HT1 ASP 1 47.911 2.741 3.730 2 2H ASP 1 HT2 ASP 1 48.942 3.410 2.557 3 3H ASP 1 HT3 ASP 1 47.499 2.645 2.088 4 HA ASP 1 HA ASP 1 47.066 4.796 3.957 5 1HB ASP 1 HB2 ASP 1 48.612 5.119 1.394 6 2HB ASP 1 HB1 ASP 1 47.561 6.420 1.953 7 H GLY 2 HN GLY 2 46.783 4.498 0.409 8 1HA GLY 2 HA2 GLY 2 43.976 3.688 0.590 9 2HA GLY 2 HA1 GLY 2 44.205 5.350 0.046 10 H SER 3 HN SER 3 45.518 5.678 -1.916 11 HA SER 3 HA SER 3 45.164 3.403 -3.809 12 1HB SER 3 HB2 SER 3 45.481 6.399 -4.064 13 2HB SER 3 HB1 SER 3 45.539 5.332 -5.465 14 HG SER 3 HG SER 3 43.412 6.286 -4.254 15 H CYS 4 HN CYS 4 47.401 5.880 -4.695 16 HA CYS 4 HA CYS 4 49.724 5.803 -5.098 17 1HB CYS 4 HB2 CYS 4 49.182 4.496 -2.504 18 2HB CYS 4 HB1 CYS 4 50.731 4.067 -3.228 19 H THR 5 HN THR 5 49.439 2.487 -3.845 20 HA THR 5 HA THR 5 49.867 0.423 -4.893 21 HB THR 5 HB THR 5 48.085 2.011 -6.469 22 HG1 THR 5 HG1 THR 5 47.070 0.172 -6.393 23 1HG2 THR 5 HG21 THR 5 49.839 0.198 -8.149 24 2HG2 THR 5 HG22 THR 5 49.909 1.959 -8.187 25 3HG2 THR 5 HG23 THR 5 48.444 1.123 -8.706 26 H ASN 6 HN ASN 6 51.790 2.909 -5.076 27 HA ASN 6 HA ASN 6 53.895 3.343 -6.060 28 1HB ASN 6 HB2 ASN 6 55.001 1.522 -5.281 29 2HB ASN 6 HB1 ASN 6 53.495 0.614 -5.281 30 1HD2 ASN 6 HD2 ASN 6 52.898 -0.250 -7.624 31 2HD2 ASN 6 HD2 ASN 6 54.189 -0.879 -8.525 32 H THR 7 HN THR 7 51.437 3.267 -7.741 33 HA THR 7 HA THR 7 51.023 3.745 -10.024 34 HB THR 7 HB THR 7 53.789 2.736 -10.667 35 HG1 THR 7 HG1 THR 7 54.562 4.145 -9.341 36 1HG2 THR 7 HG21 THR 7 51.853 4.763 -11.755 37 2HG2 THR 7 HG22 THR 7 52.681 3.456 -12.599 38 3HG2 THR 7 HG23 THR 7 53.575 4.897 -12.115 39 H ASN 8 HN ASN 8 51.762 0.819 -8.612 40 HA ASN 8 HA ASN 8 50.056 -0.818 -10.064 41 1HB ASN 8 HB2 ASN 8 52.524 -0.155 -11.496 42 2HB ASN 8 HB1 ASN 8 52.269 -1.895 -11.356 43 1HD2 ASN 8 HD2 ASN 8 49.670 -2.384 -11.693 44 2HD2 ASN 8 HD2 ASN 8 49.037 -1.679 -13.102 45 H SER 9 HN SER 9 50.047 -1.600 -7.817 46 HA SER 9 HA SER 9 51.628 -3.965 -7.398 47 1HB SER 9 HB2 SER 9 53.015 -3.047 -5.522 48 2HB SER 9 HB1 SER 9 53.407 -2.333 -7.078 49 HG SER 9 HG SER 9 51.795 -1.256 -5.005 50 H GLN 10 HN GLN 10 51.668 -3.652 -4.448 51 HA GLN 10 HA GLN 10 48.717 -3.853 -3.971 52 1HB GLN 10 HB2 GLN 10 50.712 -5.690 -3.650 53 2HB GLN 10 HB1 GLN 10 50.666 -4.973 -2.041 54 1HG GLN 10 HG2 GLN 10 48.252 -5.414 -1.892 55 2HG GLN 10 HG1 GLN 10 48.268 -6.098 -3.518 56 1HE2 GLN 10 HE21 GLN 10 50.662 -6.556 -0.869 57 2HE2 GLN 10 HE22 GLN 10 50.478 -8.241 -0.794 58 H LEU 11 HN LEU 11 51.779 -2.751 -2.479 59 HA LEU 11 HA LEU 11 52.137 -1.221 -0.704 60 1HB LEU 11 HB2 LEU 11 51.403 0.201 -2.604 61 2HB LEU 11 HB1 LEU 11 49.728 0.007 -2.082 62 HG LEU 11 HG LEU 11 50.224 1.078 0.053 63 1HD1 LEU 11 HD1 LEU 11 53.051 1.031 -1.016 64 2HD1 LEU 11 HD1 LEU 11 52.451 0.378 0.509 65 3HD1 LEU 11 HD1 LEU 11 52.561 2.123 0.278 66 1HD2 LEU 11 HD2 LEU 11 50.725 2.372 -2.537 67 2HD2 LEU 11 HD2 LEU 11 51.413 3.247 -1.169 68 3HD2 LEU 11 HD2 LEU 11 49.685 2.889 -1.210 69 H SER 12 HN SER 12 51.470 -2.718 0.997 70 HA SER 12 HA SER 12 48.957 -3.383 1.931 71 1HB SER 12 HB2 SER 12 50.409 -4.205 3.455 72 2HB SER 12 HB1 SER 12 51.639 -3.052 2.953 73 HG SER 12 HG SER 12 50.811 -2.937 5.205 74 H ALA 13 HN ALA 13 47.365 -2.371 3.254 75 HA ALA 13 HA ALA 13 46.874 0.415 2.866 76 1HB ALA 13 HB1 ALA 13 44.934 -0.069 4.044 77 2HB ALA 13 HB2 ALA 13 45.784 -1.059 5.231 78 3HB ALA 13 HB3 ALA 13 45.435 -1.708 3.628 79 H ASN 14 HN ASN 14 48.813 -1.286 5.208 80 HA ASN 14 HA ASN 14 48.870 0.959 7.121 81 1HB ASN 14 HB2 ASN 14 48.918 -1.263 8.012 82 2HB ASN 14 HB1 ASN 14 50.186 -1.757 6.890 83 1HD2 ASN 14 HD2 ASN 14 52.384 -0.834 7.257 84 2HD2 ASN 14 HD2 ASN 14 52.820 -0.280 8.799 85 H SER 15 HN SER 15 50.365 0.284 4.192 86 HA SER 15 HA SER 15 53.061 1.231 4.821 87 1HB SER 15 HB2 SER 15 52.615 -0.359 3.019 88 2HB SER 15 HB1 SER 15 51.515 0.781 2.247 89 HG SER 15 HG SER 15 54.285 1.204 2.738 90 H LYS 16 HN LYS 16 53.554 3.030 2.740 91 HA LYS 16 HA LYS 16 51.613 5.252 2.921 92 1HB LYS 16 HB2 LYS 16 53.400 4.997 4.932 93 2HB LYS 16 HB1 LYS 16 54.385 5.913 3.792 94 1HG LYS 16 HG2 LYS 16 52.885 7.736 3.775 95 2HG LYS 16 HG1 LYS 16 51.568 6.771 4.444 96 1HD LYS 16 HD2 LYS 16 52.738 6.600 6.585 97 2HD LYS 16 HD1 LYS 16 54.111 7.494 5.929 98 1HE LYS 16 HE2 LYS 16 52.992 9.272 6.895 99 2HE LYS 16 HE1 LYS 16 52.115 9.242 5.352 100 1HZ LYS 16 HZ1 LYS 16 51.338 7.976 7.915 101 2HZ LYS 16 HZ2 LYS 16 50.645 7.515 6.434 102 3HZ LYS 16 HZ3 LYS 16 50.463 9.105 7.003 103 H CYS 17 HN CYS 17 52.765 7.271 1.793 104 HA CYS 17 HA CYS 17 54.909 6.930 -0.040 105 1HB CYS 17 HB2 CYS 17 53.410 6.598 -2.114 106 2HB CYS 17 HB1 CYS 17 53.663 5.189 -1.085 107 H GLU 18 HN GLU 18 54.003 9.058 1.521 108 HA GLU 18 HA GLU 18 52.291 10.992 0.577 109 1HB GLU 18 HB2 GLU 18 53.974 10.986 2.519 110 2HB GLU 18 HB1 GLU 18 55.151 11.591 1.353 111 1HG GLU 18 HG2 GLU 18 53.116 13.281 0.831 112 2HG GLU 18 HG1 GLU 18 52.783 12.950 2.531 113 H LYS 19 HN LYS 19 55.652 10.553 -0.618 114 HA LYS 19 HA LYS 19 54.837 11.402 -3.311 115 1HB LYS 19 HB2 LYS 19 55.941 13.217 -1.293 116 2HB LYS 19 HB1 LYS 19 56.883 13.209 -2.785 117 1HG LYS 19 HG2 LYS 19 53.892 13.659 -2.571 118 2HG LYS 19 HG1 LYS 19 55.104 14.890 -2.930 119 1HD LYS 19 HD2 LYS 19 55.357 12.588 -4.699 120 2HD LYS 19 HD1 LYS 19 53.753 13.317 -4.802 121 1HE LYS 19 HE2 LYS 19 55.876 15.335 -4.713 122 2HE LYS 19 HE1 LYS 19 56.016 14.256 -6.114 123 1HZ LYS 19 HZ1 LYS 19 53.625 14.579 -6.510 124 2HZ LYS 19 HZ2 LYS 19 54.492 16.035 -6.629 125 3HZ LYS 19 HZ3 LYS 19 53.571 15.704 -5.240 126 H SER 20 HN SER 20 55.808 9.133 -3.468 127 HA SER 20 HA SER 20 58.806 9.247 -3.524 128 1HB SER 20 HB2 SER 20 57.332 6.663 -3.576 129 2HB SER 20 HB1 SER 20 58.800 7.095 -2.705 130 HG SER 20 HG SER 20 56.836 6.798 -1.411 131 H THR 21 HN THR 21 58.940 6.777 -5.065 132 HA THR 21 HA THR 21 57.558 7.339 -7.617 133 HB THR 21 HB THR 21 60.102 7.262 -8.546 134 HG1 THR 21 HG1 THR 21 60.866 7.194 -6.352 135 1HG2 THR 21 HG21 THR 21 58.355 8.990 -8.984 136 2HG2 THR 21 HG22 THR 21 59.958 9.686 -8.755 137 3HG2 THR 21 HG23 THR 21 58.772 9.757 -7.452 138 H LEU 22 HN LEU 22 56.809 5.125 -6.844 139 HA LEU 22 HA LEU 22 58.836 2.965 -7.105 140 1HB LEU 22 HB2 LEU 22 55.899 2.628 -6.526 141 2HB LEU 22 HB1 LEU 22 57.249 1.650 -5.960 142 HG LEU 22 HG LEU 22 56.481 4.435 -5.050 143 1HD1 LEU 22 HD1 LEU 22 56.635 1.709 -3.754 144 2HD1 LEU 22 HD1 LEU 22 55.232 2.769 -3.892 145 3HD1 LEU 22 HD1 LEU 22 56.557 3.196 -2.809 146 1HD2 LEU 22 HD2 LEU 22 58.800 2.972 -3.860 147 2HD2 LEU 22 HD2 LEU 22 58.524 4.708 -4.003 148 3HD2 LEU 22 HD2 LEU 22 59.059 3.784 -5.404 149 H THR 23 HN THR 23 57.329 0.900 -8.112 150 HA THR 23 HA THR 23 56.051 1.752 -10.640 151 HB THR 23 HB THR 23 58.664 0.218 -10.472 152 HG1 THR 23 HG1 THR 23 59.530 2.036 -11.083 153 1HG2 THR 23 HG21 THR 23 56.904 -0.541 -12.210 154 2HG2 THR 23 HG22 THR 23 58.526 -0.168 -12.795 155 3HG2 THR 23 HG23 THR 23 57.224 1.004 -12.999 156 H ASN 24 HN ASN 24 57.440 -1.047 -8.878 157 HA ASN 24 HA ASN 24 54.872 -2.506 -9.313 158 1HB ASN 24 HB2 ASN 24 57.574 -3.075 -10.407 159 2HB ASN 24 HB1 ASN 24 56.708 -4.464 -9.753 160 1HD2 ASN 24 HD2 ASN 24 57.273 -3.932 -12.615 161 2HD2 ASN 24 HD2 ASN 24 55.762 -3.834 -13.383 162 H CYS 25 HN CYS 25 56.510 -1.298 -6.962 163 HA CYS 25 HA CYS 25 57.636 -3.365 -5.374 164 1HB CYS 25 HB2 CYS 25 57.101 -0.645 -5.155 165 2HB CYS 25 HB1 CYS 25 56.095 -1.347 -3.895 166 H TYR 26 HN TYR 26 56.022 -3.088 -2.998 167 HA TYR 26 HA TYR 26 53.362 -4.197 -3.526 168 1HB TYR 26 HB2 TYR 26 55.736 -5.843 -3.215 169 2HB TYR 26 HB1 TYR 26 54.601 -6.152 -1.900 170 HD1 TYR 26 HD1 TYR 26 55.074 -6.205 -5.562 171 HD2 TYR 26 HD2 TYR 26 52.421 -7.120 -2.313 172 HE1 TYR 26 HE1 TYR 26 53.645 -7.523 -7.103 173 HE2 TYR 26 HE2 TYR 26 50.992 -8.439 -3.850 174 HH TYR 26 HH TYR 26 50.547 -8.428 -6.411 175 H VAL 27 HN VAL 27 55.981 -4.063 -1.140 176 HA VAL 27 HA VAL 27 56.015 -3.365 1.107 177 HB VAL 27 HB VAL 27 53.909 -1.447 0.095 178 1HG1 VAL 27 HG11 VAL 27 55.992 -1.505 2.243 179 2HG1 VAL 27 HG12 VAL 27 54.340 -0.889 2.306 180 3HG1 VAL 27 HG13 VAL 27 55.600 0.045 1.498 181 1HG2 VAL 27 HG21 VAL 27 55.430 -1.280 -1.662 182 2HG2 VAL 27 HG22 VAL 27 56.790 -1.800 -0.668 183 3HG2 VAL 27 HG23 VAL 27 56.163 -0.160 -0.513 184 H ASP 28 HN ASP 28 55.156 -4.555 2.725 185 HA ASP 28 HA ASP 28 52.186 -4.925 2.847 186 1HB ASP 28 HB2 ASP 28 54.371 -6.691 2.963 187 2HB ASP 28 HB1 ASP 28 53.814 -6.557 4.632 188 H LYS 29 HN LYS 29 54.969 -3.559 4.388 189 HA LYS 29 HA LYS 29 53.357 -2.128 6.350 190 1HB LYS 29 HB2 LYS 29 54.719 -4.676 6.996 191 2HB LYS 29 HB1 LYS 29 55.068 -3.360 8.114 192 1HG LYS 29 HG2 LYS 29 52.950 -3.307 8.934 193 2HG LYS 29 HG1 LYS 29 52.224 -3.611 7.357 194 1HD LYS 29 HD2 LYS 29 51.766 -5.557 8.659 195 2HD LYS 29 HD1 LYS 29 53.085 -6.009 7.577 196 1HE LYS 29 HE2 LYS 29 54.271 -4.871 9.911 197 2HE LYS 29 HE1 LYS 29 53.068 -6.060 10.446 198 1HZ LYS 29 HZ1 LYS 29 53.992 -7.705 9.053 199 2HZ LYS 29 HZ2 LYS 29 55.312 -6.995 9.854 200 3HZ LYS 29 HZ3 LYS 29 54.976 -6.588 8.240 201 H SER 30 HN SER 30 54.580 -0.402 5.149 202 HA SER 30 HA SER 30 57.156 0.151 6.469 203 1HB SER 30 HB2 SER 30 56.855 -0.569 3.559 204 2HB SER 30 HB1 SER 30 58.226 0.368 4.137 205 HG SER 30 HG SER 30 57.575 -2.298 4.521 206 H GLU 31 HN GLU 31 58.014 2.277 5.845 207 HA GLU 31 HA GLU 31 55.876 4.140 4.856 208 1HB GLU 31 HB2 GLU 31 57.173 3.951 7.341 209 2HB GLU 31 HB1 GLU 31 57.968 5.299 6.528 210 1HG GLU 31 HG2 GLU 31 55.760 6.321 6.075 211 2HG GLU 31 HG1 GLU 31 54.976 4.980 6.911 212 H VAL 32 HN VAL 32 56.642 4.235 2.687 213 HA VAL 32 HA VAL 32 59.519 4.792 2.221 214 HB VAL 32 HB VAL 32 57.253 4.477 0.236 215 1HG1 VAL 32 HG11 VAL 32 59.041 5.001 -1.089 216 2HG1 VAL 32 HG12 VAL 32 59.464 3.309 -0.831 217 3HG1 VAL 32 HG13 VAL 32 60.216 4.565 0.153 218 1HG2 VAL 32 HG21 VAL 32 58.091 2.583 2.169 219 2HG2 VAL 32 HG22 VAL 32 58.839 2.088 0.651 220 3HG2 VAL 32 HG23 VAL 32 57.089 2.283 0.748 221 H TYR 33 HN TYR 33 60.001 6.576 0.551 222 HA TYR 33 HA TYR 33 58.055 8.825 0.591 223 1HB TYR 33 HB2 TYR 33 60.668 8.630 2.037 224 2HB TYR 33 HB1 TYR 33 60.199 10.195 1.371 225 HD1 TYR 33 HD1 TYR 33 58.384 11.464 2.302 226 HD2 TYR 33 HD2 TYR 33 59.214 7.490 3.705 227 HE1 TYR 33 HE1 TYR 33 56.846 11.819 4.214 228 HE2 TYR 33 HE2 TYR 33 57.678 7.842 5.621 229 HH TYR 33 HH TYR 33 56.347 9.277 6.669 230 H GLY 34 HN GLY 34 61.330 7.753 -0.400 231 1HA GLY 34 HA2 GLY 34 60.834 8.982 -3.061 232 2HA GLY 34 HA1 GLY 34 62.275 9.492 -2.179 233 H THR 35 HN THR 35 61.096 6.197 -1.938 234 HA THR 35 HA THR 35 63.665 5.204 -2.952 235 HB THR 35 HB THR 35 61.158 4.067 -1.738 236 HG1 THR 35 HG1 THR 35 63.815 3.539 -1.014 237 1HG2 THR 35 HG21 THR 35 63.174 2.636 -3.405 238 2HG2 THR 35 HG22 THR 35 61.464 2.282 -3.161 239 3HG2 THR 35 HG23 THR 35 62.642 1.844 -1.922 240 H THR 36 HN THR 36 63.923 3.903 -4.819 241 HA THR 36 HA THR 36 61.900 4.359 -6.950 242 HB THR 36 HB THR 36 64.373 4.878 -7.162 243 HG1 THR 36 HG1 THR 36 64.088 2.971 -9.070 244 1HG2 THR 36 HG21 THR 36 64.743 2.487 -5.943 245 2HG2 THR 36 HG22 THR 36 65.971 3.262 -6.943 246 3HG2 THR 36 HG23 THR 36 64.941 2.006 -7.629 247 H CYS 37 HN CYS 37 60.861 2.590 -5.183 248 HA CYS 37 HA CYS 37 61.391 -0.085 -5.062 249 1HB CYS 37 HB2 CYS 37 59.005 1.611 -5.237 250 2HB CYS 37 HB1 CYS 37 58.710 -0.046 -5.744 251 H THR 38 HN THR 38 62.497 -1.005 -6.850 252 HA THR 38 HA THR 38 61.085 -0.978 -9.484 253 HB THR 38 HB THR 38 63.881 -1.912 -8.779 254 HG1 THR 38 HG1 THR 38 63.298 0.571 -9.935 255 1HG2 THR 38 HG21 THR 38 63.994 -2.440 -10.958 256 2HG2 THR 38 HG22 THR 38 63.590 -0.778 -11.387 257 3HG2 THR 38 HG23 THR 38 62.306 -1.966 -11.156 258 H GLY 39 HN GLY 39 59.561 -2.588 -8.247 259 1HA GLY 39 HA2 GLY 39 58.761 -4.805 -8.308 260 2HA GLY 39 HA1 GLY 39 60.250 -5.273 -9.128 261 H SER 40 HN SER 40 59.374 -3.981 -5.900 262 HA SER 40 HA SER 40 60.936 -6.231 -4.691 263 1HB SER 40 HB2 SER 40 61.079 -3.271 -4.028 264 2HB SER 40 HB1 SER 40 61.911 -4.543 -3.136 265 HG SER 40 HG SER 40 62.651 -5.054 -5.478 266 H ARG 41 HN ARG 41 60.548 -5.664 -2.040 267 HA ARG 41 HA ARG 41 57.776 -4.856 -1.514 268 1HB ARG 41 HB2 ARG 41 57.530 -7.112 -2.486 269 2HB ARG 41 HB1 ARG 41 58.659 -7.751 -1.291 270 1HG ARG 41 HG2 ARG 41 57.166 -7.339 0.509 271 2HG ARG 41 HG1 ARG 41 56.150 -6.283 -0.472 272 1HD ARG 41 HD2 ARG 41 54.854 -8.172 -0.677 273 2HD ARG 41 HD1 ARG 41 56.040 -8.610 -1.923 274 HE ARG 41 HE ARG 41 57.308 -9.813 -0.119 275 1HH1 ARG 41 HH1 ARG 41 55.997 -8.798 2.309 276 2HH1 ARG 41 HH1 ARG 41 54.842 -10.034 2.682 277 1HH2 ARG 41 HH2 ARG 41 54.974 -11.481 -0.465 278 2HH2 ARG 41 HH2 ARG 41 54.273 -11.560 1.116 279 H PHE 42 HN PHE 42 57.483 -4.416 0.673 280 HA PHE 42 HA PHE 42 59.817 -4.973 2.469 281 1HB PHE 42 HB2 PHE 42 57.723 -2.791 2.694 282 2HB PHE 42 HB1 PHE 42 59.259 -2.889 3.556 283 HD1 PHE 42 HD1 PHE 42 57.909 -0.834 1.399 284 HD2 PHE 42 HD2 PHE 42 61.095 -3.714 1.373 285 HE1 PHE 42 HE1 PHE 42 59.020 0.414 -0.430 286 HE2 PHE 42 HE2 PHE 42 62.207 -2.466 -0.459 287 HZ PHE 42 HZ PHE 42 61.167 -0.400 -1.360 288 H ASP 43 HN ASP 43 59.009 -5.000 4.866 289 HA ASP 43 HA ASP 43 56.251 -5.981 5.227 290 1HB ASP 43 HB2 ASP 43 58.323 -7.742 4.580 291 2HB ASP 43 HB1 ASP 43 58.171 -7.884 6.331 292 H GLY 44 HN GLY 44 57.584 -3.711 6.238 293 1HA GLY 44 HA2 GLY 44 57.037 -3.052 8.624 294 2HA GLY 44 HA1 GLY 44 57.981 -4.464 9.096 295 H VAL 45 HN VAL 45 58.294 -1.414 7.245 296 HA VAL 45 HA VAL 45 60.981 -1.043 8.463 297 HB VAL 45 HB VAL 45 62.133 -1.090 6.429 298 1HG1 VAL 45 HG11 VAL 45 61.415 -3.061 5.172 299 2HG1 VAL 45 HG12 VAL 45 59.816 -2.967 5.908 300 3HG1 VAL 45 HG13 VAL 45 61.226 -3.338 6.904 301 1HG2 VAL 45 HG21 VAL 45 60.457 -1.130 4.261 302 2HG2 VAL 45 HG22 VAL 45 61.233 0.323 4.893 303 3HG2 VAL 45 HG23 VAL 45 59.580 -0.066 5.362 304 H THR 46 HN THR 46 61.832 1.122 7.091 305 HA THR 46 HA THR 46 59.658 3.085 6.750 306 HB THR 46 HB THR 46 61.781 3.368 8.901 307 HG1 THR 46 HG1 THR 46 60.428 2.276 10.055 308 1HG2 THR 46 HG21 THR 46 60.597 5.374 7.574 309 2HG2 THR 46 HG22 THR 46 60.939 5.476 9.301 310 3HG2 THR 46 HG23 THR 46 59.320 5.051 8.748 311 H ILE 47 HN ILE 47 61.207 2.377 4.712 312 HA ILE 47 HA ILE 47 63.734 3.845 4.624 313 HB ILE 47 HB ILE 47 63.363 1.708 3.444 314 1HG1 ILE 47 HG12 ILE 47 63.566 3.782 1.278 315 2HG1 ILE 47 HG11 ILE 47 64.802 3.720 2.535 316 1HG2 ILE 47 HG21 ILE 47 61.529 1.322 2.181 317 2HG2 ILE 47 HG22 ILE 47 61.740 2.828 1.290 318 3HG2 ILE 47 HG23 ILE 47 60.886 2.828 2.832 319 1HD1 ILE 47 HD1 ILE 47 63.998 1.192 1.128 320 2HD1 ILE 47 HD1 ILE 47 65.527 1.593 1.909 321 3HD1 ILE 47 HD1 ILE 47 65.122 2.305 0.347 322 H THR 48 HN THR 48 64.092 5.414 2.793 323 HA THR 48 HA THR 48 61.686 7.036 2.110 324 HB THR 48 HB THR 48 62.948 9.042 2.917 325 HG1 THR 48 HG1 THR 48 65.029 8.454 2.834 326 1HG2 THR 48 HG21 THR 48 62.781 6.900 5.050 327 2HG2 THR 48 HG22 THR 48 61.371 7.735 4.398 328 3HG2 THR 48 HG23 THR 48 62.608 8.641 5.270 329 H THR 49 HN THR 49 63.845 9.111 1.287 330 HA THR 49 HA THR 49 64.042 8.451 -1.467 331 HB THR 49 HB THR 49 65.764 10.179 0.336 332 HG1 THR 49 HG1 THR 49 64.250 11.629 0.053 333 1HG2 THR 49 HG21 THR 49 66.698 9.464 -1.959 334 2HG2 THR 49 HG22 THR 49 66.652 11.191 -1.598 335 3HG2 THR 49 HG23 THR 49 65.422 10.474 -2.642 336 H SER 50 HN SER 50 64.801 6.148 -1.400 337 HA SER 50 HA SER 50 67.782 6.035 -1.229 338 1HB SER 50 HB2 SER 50 65.765 4.197 0.092 339 2HB SER 50 HB1 SER 50 67.485 3.837 -0.024 340 HG SER 50 HG SER 50 66.166 5.488 1.673 341 H THR 51 HN THR 51 68.680 4.767 -2.850 342 HA THR 51 HA THR 51 66.831 3.692 -4.891 343 HB THR 51 HB THR 51 69.631 3.230 -5.368 344 HG1 THR 51 HG1 THR 51 68.998 5.911 -4.751 345 1HG2 THR 51 HG21 THR 51 68.345 3.573 -7.266 346 2HG2 THR 51 HG22 THR 51 69.050 5.176 -7.063 347 3HG2 THR 51 HG23 THR 51 67.403 4.862 -6.516 348 H SER 52 HN SER 52 66.162 1.605 -4.671 349 HA SER 52 HA SER 52 68.120 -0.407 -3.630 350 1HB SER 52 HB2 SER 52 66.193 -1.395 -2.388 351 2HB SER 52 HB1 SER 52 66.550 0.248 -1.868 352 HG SER 52 HG SER 52 64.261 -0.607 -2.632 353 H THR 53 HN THR 53 68.473 -1.755 -5.342 354 HA THR 53 HA THR 53 66.262 -2.316 -7.262 355 HB THR 53 HB THR 53 68.997 -3.444 -7.582 356 HG1 THR 53 HG1 THR 53 69.902 -1.607 -7.177 357 1HG2 THR 53 HG21 THR 53 68.466 -2.102 -9.841 358 2HG2 THR 53 HG22 THR 53 66.818 -2.261 -9.234 359 3HG2 THR 53 HG23 THR 53 67.793 -3.701 -9.525 360 H GLY 54 HN GLY 54 65.031 -3.818 -5.938 361 1HA GLY 54 HA2 GLY 54 64.490 -6.025 -5.292 362 2HA GLY 54 HA1 GLY 54 66.016 -6.550 -6.012 363 H SER 55 HN SER 55 64.415 -5.884 -3.077 364 HA SER 55 HA SER 55 66.642 -6.816 -1.484 365 1HB SER 55 HB2 SER 55 67.162 -4.644 -0.428 366 2HB SER 55 HB1 SER 55 67.445 -4.573 -2.164 367 HG SER 55 HG SER 55 65.040 -3.876 -2.061 368 H ARG 56 HN ARG 56 65.151 -8.056 -0.278 369 HA ARG 56 HA ARG 56 62.588 -7.131 0.614 370 1HB ARG 56 HB2 ARG 56 63.051 -9.472 0.589 371 2HB ARG 56 HB1 ARG 56 64.539 -9.262 1.514 372 1HG ARG 56 HG2 ARG 56 63.262 -8.598 3.485 373 2HG ARG 56 HG1 ARG 56 61.755 -8.692 2.572 374 1HD ARG 56 HD2 ARG 56 63.423 -11.144 2.483 375 2HD ARG 56 HD1 ARG 56 62.710 -10.761 4.063 376 HE ARG 56 HE ARG 56 60.929 -10.593 1.695 377 1HH1 ARG 56 HH2 ARG 56 62.161 -13.207 3.221 378 2HH1 ARG 56 HH2 ARG 56 60.688 -13.752 3.952 379 1HH2 ARG 56 HH1 ARG 56 58.933 -10.858 3.194 380 2HH2 ARG 56 HH1 ARG 56 58.858 -12.425 3.930 381 H ILE 57 HN ILE 57 62.526 -5.221 1.801 382 HA ILE 57 HA ILE 57 64.629 -4.583 3.745 383 HB ILE 57 HB ILE 57 61.987 -3.173 3.306 384 1HG1 ILE 57 HG12 ILE 57 63.035 -3.634 1.097 385 2HG1 ILE 57 HG11 ILE 57 63.092 -1.917 1.491 386 1HG2 ILE 57 HG21 ILE 57 64.605 -1.801 3.693 387 2HG2 ILE 57 HG22 ILE 57 63.930 -2.645 5.086 388 3HG2 ILE 57 HG23 ILE 57 63.008 -1.363 4.300 389 1HD1 ILE 57 HD1 ILE 57 65.336 -3.935 1.666 390 2HD1 ILE 57 HD1 ILE 57 65.419 -2.358 2.452 391 3HD1 ILE 57 HD1 ILE 57 65.274 -2.463 0.698 392 H SER 58 HN SER 58 62.346 -6.827 3.970 393 HA SER 58 HA SER 58 60.572 -6.525 6.031 394 1HB SER 58 HB2 SER 58 62.457 -8.631 5.156 395 2HB SER 58 HB1 SER 58 61.825 -8.840 6.785 396 HG SER 58 HG SER 58 60.159 -9.620 5.760 397 H GLY 59 HN GLY 59 60.670 -6.503 8.373 398 1HA GLY 59 HA2 GLY 59 62.902 -6.816 10.000 399 2HA GLY 59 HA1 GLY 59 63.000 -5.144 9.455 400 HA PRO 60 HA PRO 60 59.750 -5.734 12.842 401 1HB PRO 60 HB2 PRO 60 61.229 -5.907 15.137 402 2HB PRO 60 HB1 PRO 60 60.706 -7.332 14.220 403 1HG PRO 60 HG2 PRO 60 63.370 -6.072 14.381 404 2HG PRO 60 HG1 PRO 60 62.931 -7.760 14.098 405 1HD PRO 60 HD2 PRO 60 63.746 -5.920 12.156 406 2HD PRO 60 HD1 PRO 60 62.972 -7.490 11.854 407 H GLY 61 HN GLY 61 60.270 -3.457 11.658 408 1HA GLY 61 HA2 GLY 61 59.899 -1.176 12.501 409 2HA GLY 61 HA1 GLY 61 60.978 -1.553 13.846 410 H CYS 62 HN CYS 62 61.819 -2.641 10.654 411 HA CYS 62 HA CYS 62 64.411 -1.733 10.522 412 1HB CYS 62 HB2 CYS 62 62.389 -2.675 8.757 413 2HB CYS 62 HB1 CYS 62 63.158 -1.303 7.964 414 H LYS 63 HN LYS 63 65.393 0.152 9.415 415 HA LYS 63 HA LYS 63 63.706 2.578 9.136 416 1HB LYS 63 HB2 LYS 63 64.262 2.468 11.521 417 2HB LYS 63 HB1 LYS 63 65.970 2.236 11.134 418 1HG LYS 63 HG2 LYS 63 66.008 4.445 10.024 419 2HG LYS 63 HG1 LYS 63 64.314 4.684 10.453 420 1HD LYS 63 HD2 LYS 63 64.793 4.798 12.766 421 2HD LYS 63 HD1 LYS 63 66.391 4.080 12.559 422 1HE LYS 63 HE2 LYS 63 66.110 6.511 10.969 423 2HE LYS 63 HE1 LYS 63 65.844 6.816 12.697 424 1HZ LYS 63 HZ1 LYS 63 67.850 5.300 13.032 425 2HZ LYS 63 HZ2 LYS 63 68.150 6.876 12.473 426 3HZ LYS 63 HZ3 LYS 63 68.184 5.567 11.389 427 H ILE 64 HN ILE 64 64.410 3.169 7.069 428 HA ILE 64 HA ILE 64 67.379 3.250 6.636 429 HB ILE 64 HB ILE 64 65.217 2.740 4.580 430 1HG1 ILE 64 HG12 ILE 64 66.589 0.371 4.927 431 2HG1 ILE 64 HG11 ILE 64 66.444 0.967 6.580 432 1HG2 ILE 64 HG21 ILE 64 68.227 2.368 4.581 433 2HG2 ILE 64 HG22 ILE 64 67.321 3.571 3.662 434 3HG2 ILE 64 HG23 ILE 64 67.151 1.858 3.279 435 1HD1 ILE 64 HD1 ILE 64 63.937 1.474 5.667 436 2HD1 ILE 64 HD1 ILE 64 64.389 -0.029 6.471 437 3HD1 ILE 64 HD1 ILE 64 64.336 0.047 4.709 438 H SER 65 HN SER 65 68.156 5.007 5.342 439 HA SER 65 HA SER 65 66.272 7.060 4.384 440 1HB SER 65 HB2 SER 65 68.345 8.035 6.295 441 2HB SER 65 HB1 SER 65 66.723 8.652 5.991 442 HG SER 65 HG SER 65 66.186 7.566 7.700 443 H THR 66 HN THR 66 67.157 7.203 2.354 444 HA THR 66 HA THR 66 68.719 7.733 0.673 445 HB THR 66 HB THR 66 70.732 8.633 2.650 446 HG1 THR 66 HG1 THR 66 68.095 9.651 2.494 447 1HG2 THR 66 HG21 THR 66 69.704 10.662 0.934 448 2HG2 THR 66 HG22 THR 66 69.859 9.182 -0.017 449 3HG2 THR 66 HG23 THR 66 71.261 9.837 0.831 450 H CYS 67 HN CYS 67 68.891 5.254 0.643 451 HA CYS 67 HA CYS 67 71.745 4.470 1.193 452 1HB CYS 67 HB2 CYS 67 69.789 3.603 2.748 453 2HB CYS 67 HB1 CYS 67 69.467 2.518 1.404 454 H ILE 68 HN ILE 68 72.657 3.955 -0.780 455 HA ILE 68 HA ILE 68 70.945 3.296 -3.082 456 HB ILE 68 HB ILE 68 73.938 3.558 -2.646 457 1HG1 ILE 68 HG12 ILE 68 73.589 5.581 -4.101 458 2HG1 ILE 68 HG11 ILE 68 71.852 5.285 -4.021 459 1HG2 ILE 68 HG21 ILE 68 73.901 2.115 -4.463 460 2HG2 ILE 68 HG22 ILE 68 73.738 3.661 -5.295 461 3HG2 ILE 68 HG23 ILE 68 72.311 2.665 -4.995 462 1HD1 ILE 68 HD1 ILE 68 72.881 6.957 -2.321 463 2HD1 ILE 68 HD1 ILE 68 73.494 5.518 -1.505 464 3HD1 ILE 68 HD1 ILE 68 71.756 5.741 -1.711 465 H ILE 69 HN ILE 69 70.067 1.305 -2.256 466 HA ILE 69 HA ILE 69 71.929 -0.963 -1.798 467 HB ILE 69 HB ILE 69 68.901 -0.866 -1.679 468 1HG1 ILE 69 HG12 ILE 69 70.670 -0.390 0.722 469 2HG1 ILE 69 HG11 ILE 69 70.225 0.959 -0.315 470 1HG2 ILE 69 HG21 ILE 69 70.313 -3.047 -1.544 471 2HG2 ILE 69 HG22 ILE 69 69.080 -2.773 -0.314 472 3HG2 ILE 69 HG23 ILE 69 70.777 -2.465 0.056 473 1HD1 ILE 69 HD1 ILE 69 68.333 -0.902 1.137 474 2HD1 ILE 69 HD1 ILE 69 67.819 0.305 -0.042 475 3HD1 ILE 69 HD1 ILE 69 68.594 0.812 1.460 476 H THR 70 HN THR 70 71.510 -3.012 -3.000 477 HA THR 70 HA THR 70 69.876 -2.926 -5.441 478 HB THR 70 HB THR 70 72.893 -2.706 -5.440 479 HG1 THR 70 HG1 THR 70 72.261 -1.045 -6.996 480 1HG2 THR 70 HG21 THR 70 71.823 -4.534 -7.009 481 2HG2 THR 70 HG22 THR 70 73.023 -3.419 -7.655 482 3HG2 THR 70 HG23 THR 70 71.308 -3.137 -7.952 483 H GLY 71 HN GLY 71 68.975 -4.926 -4.870 484 1HA GLY 71 HA2 GLY 71 68.991 -7.300 -5.149 485 2HA GLY 71 HA1 GLY 71 70.753 -7.256 -5.189 486 H GLY 72 HN GLY 72 68.779 -5.729 -2.702 487 1HA GLY 72 HA2 GLY 72 68.499 -6.286 -0.426 488 2HA GLY 72 HA1 GLY 72 69.136 -7.892 -0.788 489 H VAL 73 HN VAL 73 71.051 -5.252 -1.875 490 HA VAL 73 HA VAL 73 72.909 -5.655 0.453 491 HB VAL 73 HB VAL 73 74.710 -5.531 -1.165 492 1HG1 VAL 73 HG11 VAL 73 73.446 -7.700 -0.920 493 2HG1 VAL 73 HG12 VAL 73 74.255 -7.514 -2.474 494 3HG1 VAL 73 HG13 VAL 73 72.515 -7.255 -2.349 495 1HG2 VAL 73 HG21 VAL 73 72.472 -4.595 -2.933 496 2HG2 VAL 73 HG22 VAL 73 73.864 -5.398 -3.666 497 3HG2 VAL 73 HG23 VAL 73 74.089 -3.920 -2.732 498 HA PRO 74 HA PRO 74 72.535 -1.208 0.583 499 1HB PRO 74 HB2 PRO 74 73.940 -0.867 2.893 500 2HB PRO 74 HB1 PRO 74 72.268 -1.455 2.865 501 1HG PRO 74 HG2 PRO 74 74.775 -2.934 3.347 502 2HG PRO 74 HG1 PRO 74 73.139 -3.263 3.927 503 1HD PRO 74 HD2 PRO 74 74.456 -4.556 1.806 504 2HD PRO 74 HD1 PRO 74 72.733 -4.677 2.216 505 H ALA 75 HN ALA 75 73.946 0.441 -0.123 506 HA ALA 75 HA ALA 75 76.678 -0.402 -0.904 507 1HB ALA 75 HB1 ALA 75 76.493 1.988 -1.955 508 2HB ALA 75 HB2 ALA 75 74.791 1.866 -1.508 509 3HB ALA 75 HB3 ALA 75 75.498 0.694 -2.620 510 HA PRO 76 HA PRO 76 78.636 1.841 2.333 511 1HB PRO 76 HB2 PRO 76 80.984 2.543 1.121 512 2HB PRO 76 HB1 PRO 76 80.618 0.880 1.621 513 1HG PRO 76 HG2 PRO 76 80.535 2.104 -1.079 514 2HG PRO 76 HG1 PRO 76 80.976 0.461 -0.595 515 1HD PRO 76 HD2 PRO 76 78.547 1.182 -1.694 516 2HD PRO 76 HD1 PRO 76 78.830 -0.280 -0.726 517 H SER 77 HN SER 77 76.735 3.494 1.438 518 HA SER 77 HA SER 77 77.998 5.981 0.398 519 1HB SER 77 HB2 SER 77 75.577 4.623 -0.001 520 2HB SER 77 HB1 SER 77 75.141 6.048 0.938 521 HG SER 77 HG SER 77 75.687 7.290 -0.691 522 H ALA 78 HN ALA 78 78.319 7.741 1.721 523 HA ALA 78 HA ALA 78 78.064 7.534 4.579 524 1HB ALA 78 HB1 ALA 78 79.250 9.502 4.499 525 2HB ALA 78 HB2 ALA 78 78.198 10.198 3.267 526 3HB ALA 78 HB3 ALA 78 79.454 9.050 2.806 527 H ALA 79 HN ALA 79 75.740 8.141 2.188 528 HA ALA 79 HA ALA 79 74.068 9.934 3.844 529 1HB ALA 79 HB1 ALA 79 73.363 10.528 1.784 530 2HB ALA 79 HB2 ALA 79 72.816 8.882 1.469 531 3HB ALA 79 HB3 ALA 79 74.477 9.343 1.101 532 H CYS 80 HN CYS 80 74.433 6.531 3.260 533 HA CYS 80 HA CYS 80 71.663 5.824 3.881 534 1HB CYS 80 HB2 CYS 80 73.079 4.464 2.428 535 2HB CYS 80 HB1 CYS 80 74.238 4.244 3.718 536 H LYS 81 HN LYS 81 71.162 4.415 5.822 537 HA LYS 81 HA LYS 81 72.454 5.615 8.223 538 1HB LYS 81 HB2 LYS 81 70.364 5.384 9.205 539 2HB LYS 81 HB1 LYS 81 69.903 5.524 7.512 540 1HG LYS 81 HG2 LYS 81 70.310 2.895 8.968 541 2HG LYS 81 HG1 LYS 81 68.742 3.643 8.679 542 1HD LYS 81 HD2 LYS 81 69.144 3.547 6.243 543 2HD LYS 81 HD1 LYS 81 70.701 2.792 6.533 544 1HE LYS 81 HE2 LYS 81 68.624 1.362 7.963 545 2HE LYS 81 HE1 LYS 81 68.261 1.449 6.228 546 1HZ LYS 81 HZ1 LYS 81 70.291 0.520 5.664 547 2HZ LYS 81 HZ2 LYS 81 69.851 -0.382 7.036 548 3HZ LYS 81 HZ3 LYS 81 70.996 0.867 7.168 549 H ILE 82 HN ILE 82 72.442 2.646 6.518 550 HA ILE 82 HA ILE 82 72.858 0.385 7.245 551 HB ILE 82 HB ILE 82 75.183 2.089 8.195 552 1HG1 ILE 82 HG12 ILE 82 74.594 2.691 5.917 553 2HG1 ILE 82 HG11 ILE 82 76.030 1.666 5.857 554 1HG2 ILE 82 HG21 ILE 82 76.404 -0.046 7.315 555 2HG2 ILE 82 HG22 ILE 82 74.838 -0.825 7.532 556 3HG2 ILE 82 HG23 ILE 82 75.657 -0.092 8.911 557 1HD1 ILE 82 HD1 ILE 82 74.423 -0.304 5.528 558 2HD1 ILE 82 HD1 ILE 82 74.578 0.812 4.172 559 3HD1 ILE 82 HD1 ILE 82 73.171 0.903 5.232 560 H SER 83 HN SER 83 71.072 1.247 9.170 561 HA SER 83 HA SER 83 72.433 0.619 11.766 562 1HB SER 83 HB2 SER 83 71.157 2.878 11.062 563 2HB SER 83 HB1 SER 83 69.771 1.950 11.625 564 HG SER 83 HG SER 83 72.075 2.780 13.015 565 H GLY 84 HN GLY 84 69.626 0.498 12.900 566 1HA GLY 84 HA2 GLY 84 69.299 -2.312 12.939 567 2HA GLY 84 HA1 GLY 84 68.069 -1.155 13.443 568 H CYS 85 HN CYS 85 69.345 -2.924 10.666 569 HA CYS 85 HA CYS 85 66.753 -3.427 9.592 570 1HB CYS 85 HB2 CYS 85 67.172 -0.878 9.255 571 2HB CYS 85 HB1 CYS 85 68.292 -1.380 7.991 572 H THR 86 HN THR 86 67.078 -4.141 7.110 573 HA THR 86 HA THR 86 69.705 -4.942 6.251 574 HB THR 86 HB THR 86 69.755 -6.349 8.164 575 HG1 THR 86 HG1 THR 86 70.220 -7.482 6.251 576 1HG2 THR 86 HG21 THR 86 66.844 -6.817 7.522 577 2HG2 THR 86 HG22 THR 86 67.562 -6.239 9.026 578 3HG2 THR 86 HG23 THR 86 67.735 -7.929 8.560 579 H PHE 87 HN PHE 87 69.593 -6.272 4.300 580 HA PHE 87 HA PHE 87 66.816 -6.511 3.190 581 1HB PHE 87 HB2 PHE 87 69.303 -6.033 1.556 582 2HB PHE 87 HB1 PHE 87 67.631 -5.690 1.128 583 HD1 PHE 87 HD1 PHE 87 70.297 -3.895 1.310 584 HD2 PHE 87 HD2 PHE 87 66.757 -4.359 3.702 585 HE1 PHE 87 HE1 PHE 87 70.562 -1.580 2.162 586 HE2 PHE 87 HE2 PHE 87 67.029 -2.043 4.557 587 HZ PHE 87 HZ PHE 87 68.931 -0.657 3.783 588 H SER 88 HN SER 88 66.665 -8.205 1.458 589 HA SER 88 HA SER 88 68.743 -10.339 1.621 590 1HB SER 88 HB2 SER 88 66.141 -10.307 2.866 591 2HB SER 88 HB1 SER 88 66.184 -11.573 1.641 592 HG SER 88 HG SER 88 67.564 -11.325 4.024 593 H ALA 89 HN ALA 89 67.252 -8.295 -0.325 594 HA ALA 89 HA ALA 89 66.982 -8.288 -2.682 595 1HB ALA 89 HB1 ALA 89 68.815 -10.126 -2.316 596 2HB ALA 89 HB2 ALA 89 67.971 -10.060 -3.862 597 3HB ALA 89 HB3 ALA 89 67.497 -11.250 -2.649 598 H ASN 90 HN ASN 90 65.137 -9.916 -0.456 599 HA ASN 90 HA ASN 90 63.038 -10.994 -0.532 600 1HB ASN 90 HB2 ASN 90 61.483 -9.462 -1.374 601 2HB ASN 90 HB1 ASN 90 62.915 -8.446 -1.218 602 1HD2 ASN 90 HD2 ASN 90 63.958 -7.722 -3.189 603 2HD2 ASN 90 HD2 ASN 90 63.271 -7.973 -4.721 Start of MODEL 6 1 1H ASP 1 HT1 ASP 1 44.764 6.476 -0.550 2 2H ASP 1 HT2 ASP 1 45.775 5.254 0.058 3 3H ASP 1 HT3 ASP 1 46.201 6.086 -1.360 4 HA ASP 1 HA ASP 1 45.794 7.746 1.000 5 1HB ASP 1 HB2 ASP 1 47.956 7.047 1.942 6 2HB ASP 1 HB1 ASP 1 46.859 5.668 1.859 7 H GLY 2 HN GLY 2 47.956 6.639 -1.640 8 1HA GLY 2 HA2 GLY 2 48.415 9.512 -2.300 9 2HA GLY 2 HA1 GLY 2 49.796 8.422 -2.161 10 H SER 3 HN SER 3 46.861 7.093 -3.410 11 HA SER 3 HA SER 3 46.395 6.179 -5.543 12 1HB SER 3 HB2 SER 3 47.582 8.911 -6.028 13 2HB SER 3 HB1 SER 3 46.998 7.925 -7.365 14 HG SER 3 HG SER 3 45.052 7.738 -5.836 15 H CYS 4 HN CYS 4 49.087 5.588 -4.296 16 HA CYS 4 HA CYS 4 51.023 5.544 -6.485 17 1HB CYS 4 HB2 CYS 4 50.933 4.064 -3.834 18 2HB CYS 4 HB1 CYS 4 52.366 4.335 -4.825 19 H THR 5 HN THR 5 51.250 3.924 -8.004 20 HA THR 5 HA THR 5 49.669 1.408 -7.580 21 HB THR 5 HB THR 5 50.512 2.697 -10.191 22 HG1 THR 5 HG1 THR 5 48.803 3.909 -10.054 23 1HG2 THR 5 HG21 THR 5 49.754 0.163 -9.826 24 2HG2 THR 5 HG22 THR 5 49.234 1.084 -11.236 25 3HG2 THR 5 HG23 THR 5 48.151 0.897 -9.857 26 H ASN 6 HN ASN 6 52.810 2.748 -8.100 27 HA ASN 6 HA ASN 6 54.872 1.725 -8.731 28 1HB ASN 6 HB2 ASN 6 55.240 -0.223 -7.155 29 2HB ASN 6 HB1 ASN 6 54.623 1.234 -6.381 30 1HD2 ASN 6 HD2 ASN 6 52.802 0.946 -5.099 31 2HD2 ASN 6 HD2 ASN 6 51.741 -0.374 -5.198 32 H THR 7 HN THR 7 53.169 1.180 -10.835 33 HA THR 7 HA THR 7 53.120 -0.276 -12.700 34 HB THR 7 HB THR 7 54.695 -2.217 -11.008 35 HG1 THR 7 HG1 THR 7 56.522 -1.023 -11.859 36 1HG2 THR 7 HG21 THR 7 54.373 -3.248 -13.036 37 2HG2 THR 7 HG22 THR 7 55.795 -2.287 -13.444 38 3HG2 THR 7 HG23 THR 7 54.188 -1.722 -13.902 39 H ASN 8 HN ASN 8 51.585 -0.808 -9.820 40 HA ASN 8 HA ASN 8 49.689 -2.665 -11.002 41 1HB ASN 8 HB2 ASN 8 51.480 -4.242 -10.564 42 2HB ASN 8 HB1 ASN 8 51.643 -3.653 -8.907 43 1HD2 ASN 8 HD2 ASN 8 48.382 -3.792 -10.098 44 2HD2 ASN 8 HD2 ASN 8 47.923 -5.196 -9.272 45 H SER 9 HN SER 9 51.025 -1.644 -7.864 46 HA SER 9 HA SER 9 49.946 -0.280 -6.225 47 1HB SER 9 HB2 SER 9 47.774 0.452 -6.555 48 2HB SER 9 HB1 SER 9 48.213 0.018 -8.203 49 HG SER 9 HG SER 9 46.808 -1.578 -6.317 50 H GLN 10 HN GLN 10 50.794 -1.927 -4.803 51 HA GLN 10 HA GLN 10 48.630 -3.686 -3.713 52 1HB GLN 10 HB2 GLN 10 50.835 -5.137 -3.135 53 2HB GLN 10 HB1 GLN 10 49.925 -5.360 -4.625 54 1HG GLN 10 HG2 GLN 10 52.039 -3.265 -4.664 55 2HG GLN 10 HG1 GLN 10 52.580 -4.940 -4.593 56 1HE2 GLN 10 HE21 GLN 10 52.628 -6.060 -6.550 57 2HE2 GLN 10 HE22 GLN 10 51.840 -5.562 -7.968 58 H LEU 11 HN LEU 11 50.146 -1.003 -3.153 59 HA LEU 11 HA LEU 11 51.707 -0.924 -0.896 60 1HB LEU 11 HB2 LEU 11 50.540 0.909 -2.298 61 2HB LEU 11 HB1 LEU 11 49.179 0.712 -1.199 62 HG LEU 11 HG LEU 11 50.458 1.414 0.679 63 1HD1 LEU 11 HD1 LEU 11 52.990 2.013 0.114 64 2HD1 LEU 11 HD1 LEU 11 52.768 0.757 -1.104 65 3HD1 LEU 11 HD1 LEU 11 52.525 0.384 0.604 66 1HD2 LEU 11 HD2 LEU 11 51.013 3.637 0.087 67 2HD2 LEU 11 HD2 LEU 11 49.838 3.156 -1.136 68 3HD2 LEU 11 HD2 LEU 11 51.558 3.163 -1.522 69 H SER 12 HN SER 12 51.535 -2.074 0.971 70 HA SER 12 HA SER 12 49.533 -3.637 1.979 71 1HB SER 12 HB2 SER 12 50.960 -3.671 3.739 72 2HB SER 12 HB1 SER 12 51.885 -2.436 2.895 73 HG SER 12 HG SER 12 50.322 -2.247 5.116 74 H ALA 13 HN ALA 13 47.791 -3.288 3.563 75 HA ALA 13 HA ALA 13 46.053 -1.100 2.911 76 1HB ALA 13 HB1 ALA 13 46.053 -3.538 4.389 77 2HB ALA 13 HB2 ALA 13 44.661 -2.571 3.905 78 3HB ALA 13 HB3 ALA 13 45.443 -2.276 5.458 79 H ASN 14 HN ASN 14 48.817 -1.144 4.882 80 HA ASN 14 HA ASN 14 47.923 1.385 6.207 81 1HB ASN 14 HB2 ASN 14 48.884 0.563 8.305 82 2HB ASN 14 HB1 ASN 14 47.687 -0.589 7.713 83 1HD2 ASN 14 HD2 ASN 14 48.446 -2.686 7.997 84 2HD2 ASN 14 HD2 ASN 14 50.051 -3.185 7.763 85 H SER 15 HN SER 15 49.852 0.585 3.909 86 HA SER 15 HA SER 15 52.493 1.279 5.001 87 1HB SER 15 HB2 SER 15 51.628 -0.232 2.935 88 2HB SER 15 HB1 SER 15 51.901 1.286 2.087 89 HG SER 15 HG SER 15 53.836 0.387 3.893 90 H LYS 16 HN LYS 16 53.421 2.909 2.868 91 HA LYS 16 HA LYS 16 51.702 5.310 2.756 92 1HB LYS 16 HB2 LYS 16 53.122 5.067 4.975 93 2HB LYS 16 HB1 LYS 16 54.444 5.614 3.943 94 1HG LYS 16 HG2 LYS 16 52.480 7.382 3.249 95 2HG LYS 16 HG1 LYS 16 52.100 7.105 4.950 96 1HD LYS 16 HD2 LYS 16 54.358 7.706 5.611 97 2HD LYS 16 HD1 LYS 16 54.857 7.830 3.924 98 1HE LYS 16 HE2 LYS 16 54.429 10.083 4.494 99 2HE LYS 16 HE1 LYS 16 52.892 9.583 3.762 100 1HZ LYS 16 HZ1 LYS 16 52.295 10.494 5.822 101 2HZ LYS 16 HZ2 LYS 16 53.585 9.746 6.636 102 3HZ LYS 16 HZ3 LYS 16 52.273 8.819 6.086 103 H CYS 17 HN CYS 17 52.474 6.829 1.165 104 HA CYS 17 HA CYS 17 55.020 6.405 -0.215 105 1HB CYS 17 HB2 CYS 17 54.014 5.649 -2.311 106 2HB CYS 17 HB1 CYS 17 53.531 4.554 -1.017 107 H GLU 18 HN GLU 18 54.285 8.732 0.923 108 HA GLU 18 HA GLU 18 52.812 10.431 -0.992 109 1HB GLU 18 HB2 GLU 18 52.440 10.723 1.381 110 2HB GLU 18 HB1 GLU 18 54.171 10.872 1.682 111 1HG GLU 18 HG2 GLU 18 53.179 13.094 1.687 112 2HG GLU 18 HG1 GLU 18 54.194 12.927 0.254 113 H LYS 19 HN LYS 19 53.973 11.078 -2.772 114 HA LYS 19 HA LYS 19 55.671 12.178 -3.999 115 1HB LYS 19 HB2 LYS 19 55.604 13.303 -1.480 116 2HB LYS 19 HB1 LYS 19 57.291 12.805 -1.620 117 1HG LYS 19 HG2 LYS 19 57.534 14.030 -3.707 118 2HG LYS 19 HG1 LYS 19 55.816 14.429 -3.711 119 1HD LYS 19 HD2 LYS 19 56.028 15.972 -1.987 120 2HD LYS 19 HD1 LYS 19 57.467 15.194 -1.329 121 1HE LYS 19 HE2 LYS 19 58.503 16.989 -2.354 122 2HE LYS 19 HE1 LYS 19 58.417 15.918 -3.767 123 1HZ LYS 19 HZ1 LYS 19 57.412 17.978 -4.373 124 2HZ LYS 19 HZ2 LYS 19 56.454 17.998 -2.970 125 3HZ LYS 19 HZ3 LYS 19 56.163 16.845 -4.185 126 H SER 20 HN SER 20 55.949 9.499 -4.015 127 HA SER 20 HA SER 20 58.892 9.103 -3.637 128 1HB SER 20 HB2 SER 20 57.310 6.699 -3.190 129 2HB SER 20 HB1 SER 20 58.522 7.438 -2.151 130 HG SER 20 HG SER 20 56.790 7.825 -0.984 131 H THR 21 HN THR 21 59.662 7.189 -4.970 132 HA THR 21 HA THR 21 58.060 6.988 -7.498 133 HB THR 21 HB THR 21 61.006 7.046 -6.838 134 HG1 THR 21 HG1 THR 21 60.042 9.008 -7.271 135 1HG2 THR 21 HG21 THR 21 59.696 6.110 -9.402 136 2HG2 THR 21 HG22 THR 21 60.772 5.179 -8.360 137 3HG2 THR 21 HG23 THR 21 61.397 6.555 -9.269 138 H LEU 22 HN LEU 22 56.922 5.052 -7.176 139 HA LEU 22 HA LEU 22 58.492 2.678 -6.265 140 1HB LEU 22 HB2 LEU 22 55.504 3.166 -6.468 141 2HB LEU 22 HB1 LEU 22 56.273 1.757 -5.739 142 HG LEU 22 HG LEU 22 55.776 3.157 -3.900 143 1HD1 LEU 22 HD1 LEU 22 58.561 4.126 -4.482 144 2HD1 LEU 22 HD1 LEU 22 58.264 2.403 -4.252 145 3HD1 LEU 22 HD1 LEU 22 57.881 3.543 -2.964 146 1HD2 LEU 22 HD2 LEU 22 55.517 5.164 -5.649 147 2HD2 LEU 22 HD2 LEU 22 57.122 5.568 -5.042 148 3HD2 LEU 22 HD2 LEU 22 55.758 5.466 -3.929 149 H THR 23 HN THR 23 58.478 0.778 -7.516 150 HA THR 23 HA THR 23 57.049 0.774 -10.124 151 HB THR 23 HB THR 23 60.049 0.688 -9.692 152 HG1 THR 23 HG1 THR 23 60.013 2.490 -10.900 153 1HG2 THR 23 HG21 THR 23 59.815 0.453 -12.355 154 2HG2 THR 23 HG22 THR 23 58.356 -0.416 -11.877 155 3HG2 THR 23 HG23 THR 23 59.933 -0.952 -11.296 156 H ASN 24 HN ASN 24 55.959 -1.160 -9.856 157 HA ASN 24 HA ASN 24 55.632 -3.481 -9.532 158 1HB ASN 24 HB2 ASN 24 58.425 -3.048 -10.394 159 2HB ASN 24 HB1 ASN 24 58.163 -4.570 -9.543 160 1HD2 ASN 24 HD2 ASN 24 56.007 -5.739 -10.355 161 2HD2 ASN 24 HD2 ASN 24 55.795 -5.764 -12.039 162 H CYS 25 HN CYS 25 55.420 -2.136 -7.209 163 HA CYS 25 HA CYS 25 57.293 -3.442 -5.280 164 1HB CYS 25 HB2 CYS 25 56.198 -0.812 -5.600 165 2HB CYS 25 HB1 CYS 25 55.637 -1.463 -4.068 166 H TYR 26 HN TYR 26 55.933 -3.309 -3.017 167 HA TYR 26 HA TYR 26 53.200 -4.223 -3.022 168 1HB TYR 26 HB2 TYR 26 54.479 -6.155 -4.072 169 2HB TYR 26 HB1 TYR 26 55.370 -6.302 -2.555 170 HD1 TYR 26 HD1 TYR 26 54.278 -7.098 -0.518 171 HD2 TYR 26 HD2 TYR 26 52.099 -6.710 -4.200 172 HE1 TYR 26 HE1 TYR 26 52.424 -8.439 0.438 173 HE2 TYR 26 HE2 TYR 26 50.245 -8.050 -3.243 174 HH TYR 26 HH TYR 26 49.420 -8.498 -0.709 175 H VAL 27 HN VAL 27 54.993 -2.374 -1.776 176 HA VAL 27 HA VAL 27 56.195 -2.717 0.600 177 HB VAL 27 HB VAL 27 53.901 -0.778 0.239 178 1HG1 VAL 27 HG11 VAL 27 56.600 -0.369 1.543 179 2HG1 VAL 27 HG12 VAL 27 55.179 -0.909 2.439 180 3HG1 VAL 27 HG13 VAL 27 55.177 0.668 1.652 181 1HG2 VAL 27 HG21 VAL 27 55.858 0.656 -0.758 182 2HG2 VAL 27 HG22 VAL 27 55.060 -0.525 -1.803 183 3HG2 VAL 27 HG23 VAL 27 56.621 -0.904 -1.066 184 H ASP 28 HN ASP 28 55.730 -3.287 2.701 185 HA ASP 28 HA ASP 28 52.909 -3.900 3.449 186 1HB ASP 28 HB2 ASP 28 55.181 -5.745 2.990 187 2HB ASP 28 HB1 ASP 28 54.277 -6.032 4.477 188 H LYS 29 HN LYS 29 52.587 -2.877 5.395 189 HA LYS 29 HA LYS 29 53.052 -1.937 7.516 190 1HB LYS 29 HB2 LYS 29 54.852 -4.358 7.306 191 2HB LYS 29 HB1 LYS 29 54.750 -3.405 8.786 192 1HG LYS 29 HG2 LYS 29 52.086 -3.821 8.018 193 2HG LYS 29 HG1 LYS 29 52.884 -5.371 7.746 194 1HD LYS 29 HD2 LYS 29 52.515 -5.675 9.975 195 2HD LYS 29 HD1 LYS 29 53.952 -4.668 10.153 196 1HE LYS 29 HE2 LYS 29 51.326 -3.269 9.832 197 2HE LYS 29 HE1 LYS 29 51.681 -4.023 11.399 198 1HZ LYS 29 HZ1 LYS 29 53.185 -1.928 9.970 199 2HZ LYS 29 HZ2 LYS 29 53.991 -2.955 11.056 200 3HZ LYS 29 HZ3 LYS 29 52.711 -1.976 11.597 201 H SER 30 HN SER 30 54.458 -0.748 5.253 202 HA SER 30 HA SER 30 56.941 0.160 6.668 203 1HB SER 30 HB2 SER 30 56.479 -0.690 3.808 204 2HB SER 30 HB1 SER 30 57.851 0.319 4.256 205 HG SER 30 HG SER 30 57.188 -2.272 5.199 206 H GLU 31 HN GLU 31 57.753 2.253 5.392 207 HA GLU 31 HA GLU 31 55.353 4.008 4.962 208 1HB GLU 31 HB2 GLU 31 57.388 4.071 6.897 209 2HB GLU 31 HB1 GLU 31 57.801 5.358 5.762 210 1HG GLU 31 HG2 GLU 31 55.578 6.332 5.992 211 2HG GLU 31 HG1 GLU 31 55.071 4.999 7.030 212 H VAL 32 HN VAL 32 58.885 4.173 4.344 213 HA VAL 32 HA VAL 32 60.060 4.758 2.377 214 HB VAL 32 HB VAL 32 57.439 4.069 1.017 215 1HG1 VAL 32 HG11 VAL 32 59.192 5.027 -0.420 216 2HG1 VAL 32 HG12 VAL 32 58.958 3.318 -0.790 217 3HG1 VAL 32 HG13 VAL 32 60.343 3.831 0.173 218 1HG2 VAL 32 HG21 VAL 32 57.679 1.894 1.598 219 2HG2 VAL 32 HG22 VAL 32 58.859 2.429 2.794 220 3HG2 VAL 32 HG23 VAL 32 59.396 1.914 1.197 221 H TYR 33 HN TYR 33 60.295 6.631 1.018 222 HA TYR 33 HA TYR 33 58.008 8.551 0.974 223 1HB TYR 33 HB2 TYR 33 60.687 8.809 2.287 224 2HB TYR 33 HB1 TYR 33 59.964 10.251 1.583 225 HD1 TYR 33 HD1 TYR 33 57.877 11.176 2.451 226 HD2 TYR 33 HD2 TYR 33 59.646 7.668 4.193 227 HE1 TYR 33 HE1 TYR 33 56.395 11.407 4.425 228 HE2 TYR 33 HE2 TYR 33 58.163 7.901 6.165 229 HH TYR 33 HH TYR 33 55.938 10.660 6.477 230 H GLY 34 HN GLY 34 61.401 8.014 -0.086 231 1HA GLY 34 HA2 GLY 34 60.583 9.079 -2.757 232 2HA GLY 34 HA1 GLY 34 62.084 9.617 -2.006 233 H THR 35 HN THR 35 61.165 6.327 -1.484 234 HA THR 35 HA THR 35 63.582 5.291 -2.653 235 HB THR 35 HB THR 35 60.956 4.124 -1.701 236 HG1 THR 35 HG1 THR 35 62.076 4.646 0.025 237 1HG2 THR 35 HG21 THR 35 63.404 2.709 -2.774 238 2HG2 THR 35 HG22 THR 35 61.736 2.546 -3.323 239 3HG2 THR 35 HG23 THR 35 62.210 1.918 -1.745 240 H THR 36 HN THR 36 63.770 3.944 -4.569 241 HA THR 36 HA THR 36 61.907 4.750 -6.742 242 HB THR 36 HB THR 36 64.463 3.142 -6.926 243 HG1 THR 36 HG1 THR 36 65.403 5.280 -7.250 244 1HG2 THR 36 HG21 THR 36 64.408 3.643 -9.160 245 2HG2 THR 36 HG22 THR 36 63.662 5.218 -8.895 246 3HG2 THR 36 HG23 THR 36 62.676 3.758 -8.847 247 H CYS 37 HN CYS 37 62.754 2.012 -4.783 248 HA CYS 37 HA CYS 37 62.022 -0.239 -4.806 249 1HB CYS 37 HB2 CYS 37 59.939 0.849 -4.315 250 2HB CYS 37 HB1 CYS 37 59.738 1.354 -5.991 251 H THR 38 HN THR 38 63.738 -0.669 -6.548 252 HA THR 38 HA THR 38 62.811 -0.840 -9.329 253 HB THR 38 HB THR 38 65.256 -2.047 -7.993 254 HG1 THR 38 HG1 THR 38 64.705 0.565 -8.917 255 1HG2 THR 38 HG21 THR 38 66.223 -2.018 -10.170 256 2HG2 THR 38 HG22 THR 38 64.935 -0.996 -10.806 257 3HG2 THR 38 HG23 THR 38 64.602 -2.676 -10.385 258 H GLY 39 HN GLY 39 60.877 -2.225 -8.581 259 1HA GLY 39 HA2 GLY 39 59.834 -4.328 -8.620 260 2HA GLY 39 HA1 GLY 39 61.351 -4.985 -9.236 261 H SER 40 HN SER 40 60.516 -3.376 -6.155 262 HA SER 40 HA SER 40 61.382 -5.855 -4.712 263 1HB SER 40 HB2 SER 40 62.376 -3.945 -3.116 264 2HB SER 40 HB1 SER 40 63.299 -4.580 -4.475 265 HG SER 40 HG SER 40 62.831 -2.808 -5.635 266 H ARG 41 HN ARG 41 60.875 -5.324 -2.185 267 HA ARG 41 HA ARG 41 58.387 -3.744 -1.877 268 1HB ARG 41 HB2 ARG 41 57.174 -5.764 -1.068 269 2HB ARG 41 HB1 ARG 41 57.671 -5.927 -2.754 270 1HG ARG 41 HG2 ARG 41 59.581 -7.279 -2.123 271 2HG ARG 41 HG1 ARG 41 59.268 -6.995 -0.411 272 1HD ARG 41 HD2 ARG 41 58.164 -9.009 -0.568 273 2HD ARG 41 HD1 ARG 41 56.851 -8.001 -1.208 274 HE ARG 41 HE ARG 41 58.889 -8.960 -3.138 275 1HH1 ARG 41 HH1 ARG 41 56.355 -10.415 -1.577 276 2HH1 ARG 41 HH1 ARG 41 55.393 -10.707 -2.987 277 1HH2 ARG 41 HH2 ARG 41 57.383 -8.772 -5.069 278 2HH2 ARG 41 HH2 ARG 41 55.977 -9.777 -4.965 279 H PHE 42 HN PHE 42 57.598 -4.086 0.523 280 HA PHE 42 HA PHE 42 60.007 -4.285 2.304 281 1HB PHE 42 HB2 PHE 42 57.572 -2.491 2.574 282 2HB PHE 42 HB1 PHE 42 59.016 -2.457 3.583 283 HD1 PHE 42 HD1 PHE 42 61.038 -1.386 2.852 284 HD2 PHE 42 HD2 PHE 42 57.701 -1.792 0.183 285 HE1 PHE 42 HE1 PHE 42 62.112 0.187 1.265 286 HE2 PHE 42 HE2 PHE 42 58.772 -0.226 -1.403 287 HZ PHE 42 HZ PHE 42 60.974 0.762 -0.860 288 H ASP 43 HN ASP 43 58.831 -4.229 4.734 289 HA ASP 43 HA ASP 43 56.425 -5.755 5.069 290 1HB ASP 43 HB2 ASP 43 58.099 -7.363 3.925 291 2HB ASP 43 HB1 ASP 43 58.954 -7.364 5.468 292 H GLY 44 HN GLY 44 56.954 -3.631 6.456 293 1HA GLY 44 HA2 GLY 44 56.779 -3.213 8.836 294 2HA GLY 44 HA1 GLY 44 57.787 -4.634 9.128 295 H VAL 45 HN VAL 45 58.096 -1.569 7.255 296 HA VAL 45 HA VAL 45 60.742 -1.198 8.605 297 HB VAL 45 HB VAL 45 61.841 -0.959 6.536 298 1HG1 VAL 45 HG11 VAL 45 61.225 -2.917 5.205 299 2HG1 VAL 45 HG12 VAL 45 59.638 -2.965 5.973 300 3HG1 VAL 45 HG13 VAL 45 61.088 -3.298 6.922 301 1HG2 VAL 45 HG21 VAL 45 60.009 -1.035 4.461 302 2HG2 VAL 45 HG22 VAL 45 60.797 0.421 5.068 303 3HG2 VAL 45 HG23 VAL 45 59.197 -0.028 5.659 304 H THR 46 HN THR 46 61.472 1.065 7.135 305 HA THR 46 HA THR 46 59.377 3.088 7.103 306 HB THR 46 HB THR 46 61.453 3.084 9.324 307 HG1 THR 46 HG1 THR 46 60.007 2.046 10.405 308 1HG2 THR 46 HG21 THR 46 60.416 5.101 10.089 309 2HG2 THR 46 HG22 THR 46 59.082 4.924 8.946 310 3HG2 THR 46 HG23 THR 46 60.700 5.319 8.361 311 H ILE 47 HN ILE 47 60.971 2.511 5.053 312 HA ILE 47 HA ILE 47 63.523 3.948 5.119 313 HB ILE 47 HB ILE 47 63.209 1.878 3.853 314 1HG1 ILE 47 HG12 ILE 47 63.422 4.224 1.938 315 2HG1 ILE 47 HG11 ILE 47 64.743 3.664 2.963 316 1HG2 ILE 47 HG21 ILE 47 60.722 3.106 3.199 317 2HG2 ILE 47 HG22 ILE 47 61.274 1.486 2.773 318 3HG2 ILE 47 HG23 ILE 47 61.590 2.839 1.687 319 1HD1 ILE 47 HD1 ILE 47 63.379 1.601 1.310 320 2HD1 ILE 47 HD1 ILE 47 65.086 1.766 1.721 321 3HD1 ILE 47 HD1 ILE 47 64.384 2.765 0.448 322 H THR 48 HN THR 48 63.944 5.538 3.268 323 HA THR 48 HA THR 48 61.577 7.268 2.702 324 HB THR 48 HB THR 48 63.172 9.199 3.232 325 HG1 THR 48 HG1 THR 48 64.790 8.155 4.857 326 1HG2 THR 48 HG21 THR 48 63.135 8.104 5.826 327 2HG2 THR 48 HG22 THR 48 61.739 7.422 4.991 328 3HG2 THR 48 HG23 THR 48 61.934 9.172 5.099 329 H THR 49 HN THR 49 63.923 9.113 1.619 330 HA THR 49 HA THR 49 63.726 8.293 -1.127 331 HB THR 49 HB THR 49 65.576 10.142 0.406 332 HG1 THR 49 HG1 THR 49 63.546 10.843 -1.410 333 1HG2 THR 49 HG21 THR 49 66.346 11.018 -1.679 334 2HG2 THR 49 HG22 THR 49 65.167 10.071 -2.587 335 3HG2 THR 49 HG23 THR 49 66.517 9.265 -1.787 336 H SER 50 HN SER 50 64.464 6.042 -1.167 337 HA SER 50 HA SER 50 67.445 5.796 -0.921 338 1HB SER 50 HB2 SER 50 65.261 4.419 0.448 339 2HB SER 50 HB1 SER 50 66.356 3.294 -0.348 340 HG SER 50 HG SER 50 67.549 3.646 1.352 341 H THR 51 HN THR 51 68.418 4.716 -2.635 342 HA THR 51 HA THR 51 66.730 4.089 -4.971 343 HB THR 51 HB THR 51 69.679 3.587 -4.757 344 HG1 THR 51 HG1 THR 51 68.547 6.151 -5.123 345 1HG2 THR 51 HG21 THR 51 69.310 3.359 -6.963 346 2HG2 THR 51 HG22 THR 51 69.038 5.101 -7.011 347 3HG2 THR 51 HG23 THR 51 67.673 4.000 -6.819 348 H SER 52 HN SER 52 66.867 2.327 -2.411 349 HA SER 52 HA SER 52 68.113 -0.092 -2.575 350 1HB SER 52 HB2 SER 52 66.050 -1.030 -1.600 351 2HB SER 52 HB1 SER 52 66.370 0.575 -0.950 352 HG SER 52 HG SER 52 64.173 0.220 -1.661 353 H THR 53 HN THR 53 68.457 -1.524 -4.236 354 HA THR 53 HA THR 53 66.397 -1.656 -6.418 355 HB THR 53 HB THR 53 69.253 -2.617 -6.585 356 HG1 THR 53 HG1 THR 53 68.423 0.006 -7.212 357 1HG2 THR 53 HG21 THR 53 67.223 -2.802 -8.343 358 2HG2 THR 53 HG22 THR 53 68.901 -2.609 -8.847 359 3HG2 THR 53 HG23 THR 53 67.833 -1.207 -8.781 360 H GLY 54 HN GLY 54 65.101 -3.429 -6.038 361 1HA GLY 54 HA2 GLY 54 64.480 -5.625 -5.474 362 2HA GLY 54 HA1 GLY 54 66.015 -6.077 -6.218 363 H SER 55 HN SER 55 64.568 -5.001 -3.155 364 HA SER 55 HA SER 55 66.488 -6.702 -1.685 365 1HB SER 55 HB2 SER 55 67.056 -4.623 -0.269 366 2HB SER 55 HB1 SER 55 67.782 -4.720 -1.870 367 HG SER 55 HG SER 55 66.900 -2.760 -1.907 368 H ARG 56 HN ARG 56 65.252 -7.718 -0.164 369 HA ARG 56 HA ARG 56 62.599 -6.754 0.567 370 1HB ARG 56 HB2 ARG 56 63.121 -9.126 0.368 371 2HB ARG 56 HB1 ARG 56 64.408 -8.978 1.565 372 1HG ARG 56 HG2 ARG 56 62.888 -8.643 3.336 373 2HG ARG 56 HG1 ARG 56 61.570 -8.223 2.243 374 1HD ARG 56 HD2 ARG 56 61.668 -10.601 1.355 375 2HD ARG 56 HD1 ARG 56 62.784 -10.970 2.686 376 HE ARG 56 HE ARG 56 60.999 -10.614 4.244 377 1HH1 ARG 56 HH2 ARG 56 59.806 -8.190 2.910 378 2HH1 ARG 56 HH2 ARG 56 58.271 -8.793 2.386 379 1HH2 ARG 56 HH1 ARG 56 59.163 -12.126 2.740 380 2HH2 ARG 56 HH1 ARG 56 57.906 -11.023 2.290 381 H ILE 57 HN ILE 57 62.650 -4.858 1.797 382 HA ILE 57 HA ILE 57 64.666 -4.459 3.895 383 HB ILE 57 HB ILE 57 62.169 -2.838 3.321 384 1HG1 ILE 57 HG12 ILE 57 63.280 -3.238 1.176 385 2HG1 ILE 57 HG11 ILE 57 63.575 -1.578 1.689 386 1HG2 ILE 57 HG21 ILE 57 63.284 -2.004 5.233 387 2HG2 ILE 57 HG22 ILE 57 63.890 -0.998 3.918 388 3HG2 ILE 57 HG23 ILE 57 64.878 -2.316 4.545 389 1HD1 ILE 57 HD1 ILE 57 65.529 -3.737 2.434 390 2HD1 ILE 57 HD1 ILE 57 65.804 -2.005 2.250 391 3HD1 ILE 57 HD1 ILE 57 65.584 -3.020 0.825 392 H SER 58 HN SER 58 62.236 -6.533 3.892 393 HA SER 58 HA SER 58 60.380 -6.100 5.885 394 1HB SER 58 HB2 SER 58 60.399 -8.474 6.135 395 2HB SER 58 HB1 SER 58 60.957 -8.179 4.492 396 HG SER 58 HG SER 58 63.105 -8.336 5.315 397 H GLY 59 HN GLY 59 60.406 -6.688 8.229 398 1HA GLY 59 HA2 GLY 59 62.378 -7.311 9.953 399 2HA GLY 59 HA1 GLY 59 62.855 -5.666 9.529 400 HA PRO 60 HA PRO 60 59.447 -5.734 12.793 401 1HB PRO 60 HB2 PRO 60 60.953 -5.435 15.055 402 2HB PRO 60 HB1 PRO 60 60.488 -7.023 14.412 403 1HG PRO 60 HG2 PRO 60 63.081 -5.592 14.228 404 2HG PRO 60 HG1 PRO 60 62.752 -7.323 14.380 405 1HD PRO 60 HD2 PRO 60 63.446 -6.062 12.029 406 2HD PRO 60 HD1 PRO 60 62.584 -7.612 12.128 407 H GLY 61 HN GLY 61 60.042 -3.677 11.168 408 1HA GLY 61 HA2 GLY 61 59.541 -1.300 11.562 409 2HA GLY 61 HA1 GLY 61 60.510 -1.394 13.036 410 H CYS 62 HN CYS 62 61.672 -3.039 10.241 411 HA CYS 62 HA CYS 62 64.235 -2.100 10.105 412 1HB CYS 62 HB2 CYS 62 62.708 -3.681 8.603 413 2HB CYS 62 HB1 CYS 62 62.677 -2.266 7.554 414 H LYS 63 HN LYS 63 65.156 -0.090 9.873 415 HA LYS 63 HA LYS 63 63.484 2.072 8.630 416 1HB LYS 63 HB2 LYS 63 63.969 2.351 11.019 417 2HB LYS 63 HB1 LYS 63 65.695 2.157 10.708 418 1HG LYS 63 HG2 LYS 63 65.785 4.191 9.444 419 2HG LYS 63 HG1 LYS 63 64.027 4.321 9.405 420 1HD LYS 63 HD2 LYS 63 65.113 5.836 11.093 421 2HD LYS 63 HD1 LYS 63 63.945 4.716 11.794 422 1HE LYS 63 HE2 LYS 63 65.751 3.213 12.499 423 2HE LYS 63 HE1 LYS 63 66.952 4.272 11.733 424 1HZ LYS 63 HZ1 LYS 63 65.390 4.693 14.158 425 2HZ LYS 63 HZ2 LYS 63 65.604 6.049 13.155 426 3HZ LYS 63 HZ3 LYS 63 66.955 5.224 13.772 427 H ILE 64 HN ILE 64 64.401 3.264 6.956 428 HA ILE 64 HA ILE 64 67.286 2.860 6.314 429 HB ILE 64 HB ILE 64 64.933 2.427 4.440 430 1HG1 ILE 64 HG12 ILE 64 65.471 0.593 6.122 431 2HG1 ILE 64 HG11 ILE 64 65.579 0.109 4.432 432 1HG2 ILE 64 HG21 ILE 64 67.011 1.537 3.035 433 2HG2 ILE 64 HG22 ILE 64 67.885 2.705 4.027 434 3HG2 ILE 64 HG23 ILE 64 66.557 3.241 2.999 435 1HD1 ILE 64 HD1 ILE 64 67.593 -0.150 6.359 436 2HD1 ILE 64 HD1 ILE 64 68.098 1.217 5.366 437 3HD1 ILE 64 HD1 ILE 64 67.778 -0.345 4.616 438 H SER 65 HN SER 65 68.191 4.680 5.245 439 HA SER 65 HA SER 65 66.362 6.855 4.373 440 1HB SER 65 HB2 SER 65 68.616 7.495 6.254 441 2HB SER 65 HB1 SER 65 67.132 8.396 5.951 442 HG SER 65 HG SER 65 66.010 6.962 7.160 443 H THR 66 HN THR 66 67.142 7.633 2.478 444 HA THR 66 HA THR 66 68.625 7.858 0.645 445 HB THR 66 HB THR 66 70.624 8.698 2.720 446 HG1 THR 66 HG1 THR 66 68.601 9.398 3.481 447 1HG2 THR 66 HG21 THR 66 70.661 8.884 0.061 448 2HG2 THR 66 HG22 THR 66 71.310 10.176 1.077 449 3HG2 THR 66 HG23 THR 66 69.691 10.320 0.390 450 H CYS 67 HN CYS 67 68.625 5.256 1.037 451 HA CYS 67 HA CYS 67 71.516 4.454 1.214 452 1HB CYS 67 HB2 CYS 67 69.760 3.754 3.027 453 2HB CYS 67 HB1 CYS 67 69.176 2.642 1.791 454 H ILE 68 HN ILE 68 72.105 4.133 -0.932 455 HA ILE 68 HA ILE 68 70.369 3.567 -3.085 456 HB ILE 68 HB ILE 68 73.291 3.090 -2.512 457 1HG1 ILE 68 HG12 ILE 68 73.366 4.772 -4.485 458 2HG1 ILE 68 HG11 ILE 68 71.641 4.988 -4.183 459 1HG2 ILE 68 HG21 ILE 68 73.524 2.537 -4.958 460 2HG2 ILE 68 HG22 ILE 68 71.768 2.392 -5.040 461 3HG2 ILE 68 HG23 ILE 68 72.698 1.288 -4.024 462 1HD1 ILE 68 HD1 ILE 68 72.012 5.809 -1.992 463 2HD1 ILE 68 HD1 ILE 68 73.250 6.596 -2.972 464 3HD1 ILE 68 HD1 ILE 68 73.672 5.213 -1.962 465 H ILE 69 HN ILE 69 72.563 1.192 -1.558 466 HA ILE 69 HA ILE 69 72.333 -1.142 -1.273 467 HB ILE 69 HB ILE 69 69.368 -0.567 -1.274 468 1HG1 ILE 69 HG12 ILE 69 71.348 0.057 0.944 469 2HG1 ILE 69 HG11 ILE 69 70.488 1.250 -0.028 470 1HG2 ILE 69 HG21 ILE 69 71.014 -2.283 0.595 471 2HG2 ILE 69 HG22 ILE 69 70.352 -2.901 -0.918 472 3HG2 ILE 69 HG23 ILE 69 69.268 -2.317 0.344 473 1HD1 ILE 69 HD1 ILE 69 68.726 -0.770 1.175 474 2HD1 ILE 69 HD1 ILE 69 68.563 0.986 1.142 475 3HD1 ILE 69 HD1 ILE 69 69.581 0.217 2.360 476 H THR 70 HN THR 70 71.485 -3.125 -2.349 477 HA THR 70 HA THR 70 70.155 -2.693 -4.970 478 HB THR 70 HB THR 70 72.758 -4.213 -4.685 479 HG1 THR 70 HG1 THR 70 72.253 -1.513 -5.347 480 1HG2 THR 70 HG21 THR 70 71.195 -4.671 -6.625 481 2HG2 THR 70 HG22 THR 70 72.804 -4.113 -7.087 482 3HG2 THR 70 HG23 THR 70 71.439 -2.996 -7.120 483 H GLY 71 HN GLY 71 71.596 -5.650 -5.126 484 1HA GLY 71 HA2 GLY 71 69.188 -7.102 -4.609 485 2HA GLY 71 HA1 GLY 71 70.781 -7.811 -4.856 486 H GLY 72 HN GLY 72 68.777 -6.220 -2.388 487 1HA GLY 72 HA2 GLY 72 68.750 -6.501 -0.062 488 2HA GLY 72 HA1 GLY 72 69.378 -8.123 -0.366 489 H VAL 73 HN VAL 73 71.257 -5.577 -1.666 490 HA VAL 73 HA VAL 73 73.213 -5.837 0.607 491 HB VAL 73 HB VAL 73 74.915 -5.627 -1.193 492 1HG1 VAL 73 HG11 VAL 73 73.966 -7.775 -2.514 493 2HG1 VAL 73 HG12 VAL 73 72.858 -7.780 -1.142 494 3HG1 VAL 73 HG13 VAL 73 74.598 -7.882 -0.871 495 1HG2 VAL 73 HG21 VAL 73 74.283 -4.714 -3.153 496 2HG2 VAL 73 HG22 VAL 73 72.599 -4.718 -2.622 497 3HG2 VAL 73 HG23 VAL 73 73.263 -6.121 -3.462 498 HA PRO 74 HA PRO 74 72.950 -1.397 0.571 499 1HB PRO 74 HB2 PRO 74 74.827 -0.938 2.500 500 2HB PRO 74 HB1 PRO 74 73.201 -1.540 2.868 501 1HG PRO 74 HG2 PRO 74 75.775 -2.960 2.887 502 2HG PRO 74 HG1 PRO 74 74.281 -3.315 3.762 503 1HD PRO 74 HD2 PRO 74 75.247 -4.597 1.426 504 2HD PRO 74 HD1 PRO 74 73.671 -4.833 2.209 505 H ALA 75 HN ALA 75 73.969 -0.021 -0.865 506 HA ALA 75 HA ALA 75 76.605 -0.733 -1.959 507 1HB ALA 75 HB1 ALA 75 75.310 1.850 -2.620 508 2HB ALA 75 HB2 ALA 75 74.326 0.419 -2.924 509 3HB ALA 75 HB3 ALA 75 75.903 0.584 -3.696 510 HA PRO 76 HA PRO 76 79.071 2.123 0.280 511 1HB PRO 76 HB2 PRO 76 80.438 3.515 -1.646 512 2HB PRO 76 HB1 PRO 76 80.783 1.820 -1.246 513 1HG PRO 76 HG2 PRO 76 79.210 2.948 -3.509 514 2HG PRO 76 HG1 PRO 76 80.329 1.577 -3.486 515 1HD PRO 76 HD2 PRO 76 77.624 1.290 -3.459 516 2HD PRO 76 HD1 PRO 76 78.737 0.117 -2.718 517 H SER 77 HN SER 77 76.599 3.116 0.402 518 HA SER 77 HA SER 77 76.436 5.817 -0.774 519 1HB SER 77 HB2 SER 77 74.517 4.213 -0.569 520 2HB SER 77 HB1 SER 77 74.643 4.343 1.183 521 HG SER 77 HG SER 77 74.559 6.769 0.515 522 H ALA 78 HN ALA 78 77.612 7.398 0.253 523 HA ALA 78 HA ALA 78 78.497 7.243 2.995 524 1HB ALA 78 HB1 ALA 78 79.713 8.485 1.307 525 2HB ALA 78 HB2 ALA 78 79.130 9.643 2.503 526 3HB ALA 78 HB3 ALA 78 78.299 9.479 0.957 527 H ALA 79 HN ALA 79 75.443 7.883 1.726 528 HA ALA 79 HA ALA 79 74.706 9.729 3.961 529 1HB ALA 79 HB1 ALA 79 72.541 9.671 2.388 530 2HB ALA 79 HB2 ALA 79 73.726 9.116 1.206 531 3HB ALA 79 HB3 ALA 79 73.934 10.678 1.997 532 H CYS 80 HN CYS 80 74.003 6.557 2.546 533 HA CYS 80 HA CYS 80 71.645 5.797 3.809 534 1HB CYS 80 HB2 CYS 80 72.926 4.401 2.267 535 2HB CYS 80 HB1 CYS 80 74.229 4.257 3.428 536 H LYS 81 HN LYS 81 71.398 4.426 5.852 537 HA LYS 81 HA LYS 81 73.091 5.605 8.013 538 1HB LYS 81 HB2 LYS 81 71.156 5.838 9.196 539 2HB LYS 81 HB1 LYS 81 70.402 5.688 7.616 540 1HG LYS 81 HG2 LYS 81 70.955 3.215 9.256 541 2HG LYS 81 HG1 LYS 81 69.539 4.202 9.585 542 1HD LYS 81 HD2 LYS 81 68.518 3.666 7.605 543 2HD LYS 81 HD1 LYS 81 70.044 3.499 6.738 544 1HE LYS 81 HE2 LYS 81 68.908 1.297 7.050 545 2HE LYS 81 HE1 LYS 81 70.468 1.348 7.893 546 1HZ LYS 81 HZ1 LYS 81 67.786 1.851 9.072 547 2HZ LYS 81 HZ2 LYS 81 69.249 2.119 9.892 548 3HZ LYS 81 HZ3 LYS 81 68.816 0.548 9.415 549 H ILE 82 HN ILE 82 71.667 2.490 6.955 550 HA ILE 82 HA ILE 82 72.228 0.278 7.623 551 HB ILE 82 HB ILE 82 74.853 1.790 7.832 552 1HG1 ILE 82 HG12 ILE 82 73.956 1.829 5.594 553 2HG1 ILE 82 HG11 ILE 82 75.246 0.628 5.622 554 1HG2 ILE 82 HG21 ILE 82 75.285 -0.943 7.239 555 2HG2 ILE 82 HG22 ILE 82 74.192 -0.902 8.623 556 3HG2 ILE 82 HG23 ILE 82 75.749 -0.077 8.703 557 1HD1 ILE 82 HD1 ILE 82 73.050 -0.868 6.350 558 2HD1 ILE 82 HD1 ILE 82 73.708 -0.772 4.716 559 3HD1 ILE 82 HD1 ILE 82 72.359 0.263 5.184 560 H SER 83 HN SER 83 70.891 1.238 9.692 561 HA SER 83 HA SER 83 72.665 1.100 12.098 562 1HB SER 83 HB2 SER 83 71.258 3.131 11.664 563 2HB SER 83 HB1 SER 83 69.823 2.117 11.779 564 HG SER 83 HG SER 83 70.773 3.296 13.745 565 H GLY 84 HN GLY 84 69.194 0.373 11.624 566 1HA GLY 84 HA2 GLY 84 69.719 -2.387 12.632 567 2HA GLY 84 HA1 GLY 84 68.475 -1.395 13.392 568 H CYS 85 HN CYS 85 69.424 -2.515 10.123 569 HA CYS 85 HA CYS 85 66.520 -3.030 9.609 570 1HB CYS 85 HB2 CYS 85 68.018 -0.941 8.571 571 2HB CYS 85 HB1 CYS 85 68.098 -2.154 7.294 572 H THR 86 HN THR 86 67.116 -3.889 6.869 573 HA THR 86 HA THR 86 69.176 -5.859 6.738 574 HB THR 86 HB THR 86 68.113 -6.949 8.562 575 HG1 THR 86 HG1 THR 86 67.845 -8.825 7.624 576 1HG2 THR 86 HG21 THR 86 65.448 -7.400 7.603 577 2HG2 THR 86 HG22 THR 86 65.785 -5.670 7.526 578 3HG2 THR 86 HG23 THR 86 65.954 -6.534 9.054 579 H PHE 87 HN PHE 87 69.195 -6.803 4.716 580 HA PHE 87 HA PHE 87 66.759 -6.438 3.003 581 1HB PHE 87 HB2 PHE 87 69.401 -6.368 1.680 582 2HB PHE 87 HB1 PHE 87 67.985 -5.375 1.382 583 HD1 PHE 87 HD1 PHE 87 67.483 -4.083 3.953 584 HD2 PHE 87 HD2 PHE 87 71.216 -4.957 2.003 585 HE1 PHE 87 HE1 PHE 87 68.560 -2.220 5.183 586 HE2 PHE 87 HE2 PHE 87 72.290 -3.098 3.244 587 HZ PHE 87 HZ PHE 87 70.964 -1.727 4.829 588 H SER 88 HN SER 88 66.510 -8.102 1.376 589 HA SER 88 HA SER 88 68.366 -10.434 1.579 590 1HB SER 88 HB2 SER 88 65.375 -10.786 1.579 591 2HB SER 88 HB1 SER 88 66.616 -11.891 2.166 592 HG SER 88 HG SER 88 65.260 -10.393 3.662 593 H ALA 89 HN ALA 89 67.200 -8.202 -0.389 594 HA ALA 89 HA ALA 89 67.076 -8.107 -2.755 595 1HB ALA 89 HB1 ALA 89 68.522 -10.392 -2.137 596 2HB ALA 89 HB2 ALA 89 68.301 -9.731 -3.758 597 3HB ALA 89 HB3 ALA 89 67.229 -11.005 -3.168 598 H ASN 90 HN ASN 90 64.972 -9.620 -0.689 599 HA ASN 90 HA ASN 90 62.827 -10.610 -0.929 600 1HB ASN 90 HB2 ASN 90 61.400 -8.868 -1.609 601 2HB ASN 90 HB1 ASN 90 62.891 -8.012 -1.221 602 1HD2 ASN 90 HD2 ASN 90 64.310 -7.400 -3.088 603 2HD2 ASN 90 HD2 ASN 90 63.624 -7.197 -4.628 Start of MODEL 7 1 1H ASP 1 HT1 ASP 1 45.658 3.795 1.588 2 2H ASP 1 HT2 ASP 1 47.005 3.900 2.617 3 3H ASP 1 HT3 ASP 1 46.801 5.027 1.363 4 HA ASP 1 HA ASP 1 44.964 4.740 3.689 5 1HB ASP 1 HB2 ASP 1 47.569 5.719 3.562 6 2HB ASP 1 HB1 ASP 1 46.576 7.168 3.389 7 H GLY 2 HN GLY 2 46.074 6.735 0.933 8 1HA GLY 2 HA2 GLY 2 43.264 7.730 0.682 9 2HA GLY 2 HA1 GLY 2 44.650 8.794 0.436 10 H SER 3 HN SER 3 43.394 5.663 -0.755 11 HA SER 3 HA SER 3 43.506 4.720 -2.918 12 1HB SER 3 HB2 SER 3 42.115 6.983 -2.958 13 2HB SER 3 HB1 SER 3 43.455 7.531 -3.962 14 HG SER 3 HG SER 3 41.506 6.367 -4.928 15 H CYS 4 HN CYS 4 45.669 3.944 -2.998 16 HA CYS 4 HA CYS 4 47.445 5.418 -4.813 17 1HB CYS 4 HB2 CYS 4 49.311 5.162 -2.971 18 2HB CYS 4 HB1 CYS 4 48.208 6.532 -2.902 19 H THR 5 HN THR 5 49.309 4.055 -5.459 20 HA THR 5 HA THR 5 49.283 1.224 -4.596 21 HB THR 5 HB THR 5 48.556 2.220 -7.373 22 HG1 THR 5 HG1 THR 5 46.671 1.963 -6.506 23 1HG2 THR 5 HG21 THR 5 48.313 -0.561 -7.326 24 2HG2 THR 5 HG22 THR 5 49.851 -0.254 -6.527 25 3HG2 THR 5 HG23 THR 5 49.570 0.355 -8.160 26 H ASN 6 HN ASN 6 51.133 3.655 -4.746 27 HA ASN 6 HA ASN 6 53.442 3.979 -5.139 28 1HB ASN 6 HB2 ASN 6 54.187 1.933 -4.433 29 2HB ASN 6 HB1 ASN 6 52.921 1.073 -5.294 30 1HD2 ASN 6 HD2 ASN 6 53.590 -0.066 -7.141 31 2HD2 ASN 6 HD2 ASN 6 55.067 0.181 -7.942 32 H THR 7 HN THR 7 52.278 1.773 -7.683 33 HA THR 7 HA THR 7 52.402 3.841 -9.757 34 HB THR 7 HB THR 7 54.315 1.481 -9.833 35 HG1 THR 7 HG1 THR 7 55.070 4.165 -9.489 36 1HG2 THR 7 HG21 THR 7 54.640 2.084 -11.973 37 2HG2 THR 7 HG22 THR 7 55.037 3.726 -11.467 38 3HG2 THR 7 HG23 THR 7 53.363 3.289 -11.808 39 H ASN 8 HN ASN 8 52.233 0.413 -8.898 40 HA ASN 8 HA ASN 8 49.715 -0.067 -10.141 41 1HB ASN 8 HB2 ASN 8 51.969 0.136 -11.891 42 2HB ASN 8 HB1 ASN 8 51.455 -1.550 -11.856 43 1HD2 ASN 8 HD2 ASN 8 48.615 -0.970 -11.339 44 2HD2 ASN 8 HD2 ASN 8 47.984 -0.303 -12.766 45 H SER 9 HN SER 9 51.373 -0.786 -7.769 46 HA SER 9 HA SER 9 51.533 -3.755 -8.119 47 1HB SER 9 HB2 SER 9 52.951 -1.731 -6.397 48 2HB SER 9 HB1 SER 9 52.967 -3.442 -5.975 49 HG SER 9 HG SER 9 53.558 -3.583 -8.393 50 H GLN 10 HN GLN 10 51.609 -2.669 -4.871 51 HA GLN 10 HA GLN 10 48.678 -3.140 -4.544 52 1HB GLN 10 HB2 GLN 10 49.028 -5.022 -3.240 53 2HB GLN 10 HB1 GLN 10 50.425 -5.144 -4.304 54 1HG GLN 10 HG2 GLN 10 51.835 -4.050 -2.623 55 2HG GLN 10 HG1 GLN 10 50.441 -3.846 -1.564 56 1HE2 GLN 10 HE21 GLN 10 51.430 -5.223 0.095 57 2HE2 GLN 10 HE22 GLN 10 51.523 -6.905 -0.107 58 H LEU 11 HN LEU 11 51.721 -2.208 -2.883 59 HA LEU 11 HA LEU 11 52.036 -0.749 -1.032 60 1HB LEU 11 HB2 LEU 11 51.262 0.710 -2.959 61 2HB LEU 11 HB1 LEU 11 49.628 0.592 -2.302 62 HG LEU 11 HG LEU 11 50.284 1.658 -0.250 63 1HD1 LEU 11 HD1 LEU 11 52.404 0.724 0.239 64 2HD1 LEU 11 HD1 LEU 11 52.754 2.424 -0.076 65 3HD1 LEU 11 HD1 LEU 11 53.073 1.213 -1.318 66 1HD2 LEU 11 HD2 LEU 11 51.562 3.745 -1.298 67 2HD2 LEU 11 HD2 LEU 11 49.883 3.405 -1.720 68 3HD2 LEU 11 HD2 LEU 11 51.183 2.923 -2.812 69 H SER 12 HN SER 12 51.259 -2.477 0.445 70 HA SER 12 HA SER 12 48.677 -3.100 1.219 71 1HB SER 12 HB2 SER 12 51.148 -3.643 2.101 72 2HB SER 12 HB1 SER 12 50.666 -2.520 3.370 73 HG SER 12 HG SER 12 49.209 -3.915 4.053 74 H ALA 13 HN ALA 13 47.149 -2.197 2.691 75 HA ALA 13 HA ALA 13 46.854 0.645 2.668 76 1HB ALA 13 HB1 ALA 13 44.847 -0.423 2.992 77 2HB ALA 13 HB2 ALA 13 45.249 -0.186 4.692 78 3HB ALA 13 HB3 ALA 13 45.581 -1.735 3.915 79 H ASN 14 HN ASN 14 48.885 -1.328 4.560 80 HA ASN 14 HA ASN 14 48.878 0.450 6.921 81 1HB ASN 14 HB2 ASN 14 49.073 -2.092 6.910 82 2HB ASN 14 HB1 ASN 14 50.689 -1.880 6.237 83 1HD2 ASN 14 HD2 ASN 14 50.189 -3.048 8.848 84 2HD2 ASN 14 HD2 ASN 14 50.877 -2.016 10.006 85 H SER 15 HN SER 15 50.378 0.397 3.868 86 HA SER 15 HA SER 15 52.982 1.450 4.699 87 1HB SER 15 HB2 SER 15 52.581 0.085 2.655 88 2HB SER 15 HB1 SER 15 51.583 1.381 2.001 89 HG SER 15 HG SER 15 54.197 1.904 2.902 90 H LYS 16 HN LYS 16 53.207 3.555 2.752 91 HA LYS 16 HA LYS 16 51.234 5.586 3.734 92 1HB LYS 16 HB2 LYS 16 53.519 5.454 4.950 93 2HB LYS 16 HB1 LYS 16 54.198 6.110 3.461 94 1HG LYS 16 HG2 LYS 16 52.702 8.054 3.611 95 2HG LYS 16 HG1 LYS 16 51.972 7.393 5.074 96 1HD LYS 16 HD2 LYS 16 54.180 7.481 6.200 97 2HD LYS 16 HD1 LYS 16 54.883 8.187 4.745 98 1HE LYS 16 HE2 LYS 16 54.199 10.244 5.393 99 2HE LYS 16 HE1 LYS 16 52.520 9.677 5.479 100 1HZ LYS 16 HZ1 LYS 16 54.381 8.820 7.571 101 2HZ LYS 16 HZ2 LYS 16 52.711 9.113 7.666 102 3HZ LYS 16 HZ3 LYS 16 53.805 10.414 7.636 103 H CYS 17 HN CYS 17 50.626 7.060 2.151 104 HA CYS 17 HA CYS 17 51.896 6.734 -0.546 105 1HB CYS 17 HB2 CYS 17 49.119 7.721 0.180 106 2HB CYS 17 HB1 CYS 17 49.687 7.218 -1.413 107 H GLU 18 HN GLU 18 52.696 8.576 -1.542 108 HA GLU 18 HA GLU 18 51.848 11.266 -0.819 109 1HB GLU 18 HB2 GLU 18 54.062 11.862 0.213 110 2HB GLU 18 HB1 GLU 18 53.146 10.689 1.159 111 1HG GLU 18 HG2 GLU 18 54.719 9.268 -0.770 112 2HG GLU 18 HG1 GLU 18 55.769 10.395 0.089 113 H LYS 19 HN LYS 19 54.955 11.862 -1.403 114 HA LYS 19 HA LYS 19 54.545 11.929 -4.350 115 1HB LYS 19 HB2 LYS 19 56.436 13.587 -4.183 116 2HB LYS 19 HB1 LYS 19 55.024 14.031 -3.225 117 1HG LYS 19 HG2 LYS 19 56.094 13.676 -1.228 118 2HG LYS 19 HG1 LYS 19 57.072 12.354 -1.867 119 1HD LYS 19 HD2 LYS 19 58.795 13.755 -2.229 120 2HD LYS 19 HD1 LYS 19 57.773 14.787 -3.230 121 1HE LYS 19 HE2 LYS 19 57.830 14.902 -0.193 122 2HE LYS 19 HE1 LYS 19 58.721 16.010 -1.254 123 1HZ LYS 19 HZ1 LYS 19 56.131 16.320 -0.488 124 2HZ LYS 19 HZ2 LYS 19 55.982 15.642 -2.038 125 3HZ LYS 19 HZ3 LYS 19 56.861 17.079 -1.818 126 H SER 20 HN SER 20 55.585 9.562 -2.578 127 HA SER 20 HA SER 20 58.339 9.096 -3.126 128 1HB SER 20 HB2 SER 20 56.362 7.846 -1.779 129 2HB SER 20 HB1 SER 20 56.392 6.838 -3.223 130 HG SER 20 HG SER 20 58.754 6.796 -2.844 131 H THR 21 HN THR 21 59.145 7.413 -4.761 132 HA THR 21 HA THR 21 57.523 7.379 -7.271 133 HB THR 21 HB THR 21 58.971 9.275 -7.517 134 HG1 THR 21 HG1 THR 21 60.107 8.633 -9.260 135 1HG2 THR 21 HG21 THR 21 61.263 9.324 -6.895 136 2HG2 THR 21 HG22 THR 21 61.344 7.568 -6.765 137 3HG2 THR 21 HG23 THR 21 60.452 8.499 -5.563 138 H LEU 22 HN LEU 22 57.209 5.125 -7.107 139 HA LEU 22 HA LEU 22 59.691 3.466 -7.364 140 1HB LEU 22 HB2 LEU 22 57.823 1.823 -6.144 141 2HB LEU 22 HB1 LEU 22 59.123 2.665 -5.307 142 HG LEU 22 HG LEU 22 56.449 3.982 -5.812 143 1HD1 LEU 22 HD1 LEU 22 55.627 3.173 -3.733 144 2HD1 LEU 22 HD1 LEU 22 57.211 2.557 -3.258 145 3HD1 LEU 22 HD1 LEU 22 56.296 1.752 -4.533 146 1HD2 LEU 22 HD2 LEU 22 57.319 5.678 -4.587 147 2HD2 LEU 22 HD2 LEU 22 58.884 4.900 -4.827 148 3HD2 LEU 22 HD2 LEU 22 57.950 4.571 -3.367 149 H THR 23 HN THR 23 58.468 1.017 -7.812 150 HA THR 23 HA THR 23 56.339 1.215 -9.811 151 HB THR 23 HB THR 23 59.215 0.704 -10.646 152 HG1 THR 23 HG1 THR 23 57.464 2.868 -10.798 153 1HG2 THR 23 HG21 THR 23 56.782 0.892 -12.429 154 2HG2 THR 23 HG22 THR 23 57.378 -0.647 -11.806 155 3HG2 THR 23 HG23 THR 23 58.401 0.336 -12.853 156 H ASN 24 HN ASN 24 55.455 -0.828 -10.180 157 HA ASN 24 HA ASN 24 55.022 -3.104 -9.683 158 1HB ASN 24 HB2 ASN 24 57.944 -2.952 -10.462 159 2HB ASN 24 HB1 ASN 24 57.101 -4.487 -10.253 160 1HD2 ASN 24 HD2 ASN 24 56.503 -5.271 -12.277 161 2HD2 ASN 24 HD2 ASN 24 55.871 -4.328 -13.539 162 H CYS 25 HN CYS 25 55.678 -1.475 -7.323 163 HA CYS 25 HA CYS 25 57.546 -3.000 -5.675 164 1HB CYS 25 HB2 CYS 25 56.603 -0.467 -5.653 165 2HB CYS 25 HB1 CYS 25 55.505 -1.186 -4.481 166 H TYR 26 HN TYR 26 55.987 -2.942 -3.286 167 HA TYR 26 HA TYR 26 53.523 -4.355 -3.340 168 1HB TYR 26 HB2 TYR 26 55.733 -5.863 -4.243 169 2HB TYR 26 HB1 TYR 26 55.467 -6.399 -2.585 170 HD1 TYR 26 HD1 TYR 26 54.532 -8.564 -2.986 171 HD2 TYR 26 HD2 TYR 26 52.868 -5.106 -4.914 172 HE1 TYR 26 HE1 TYR 26 52.595 -9.914 -3.729 173 HE2 TYR 26 HE2 TYR 26 50.927 -6.459 -5.659 174 HH TYR 26 HH TYR 26 50.750 -9.377 -6.026 175 H VAL 27 HN VAL 27 54.841 -2.314 -1.951 176 HA VAL 27 HA VAL 27 56.146 -2.836 0.455 177 HB VAL 27 HB VAL 27 54.012 -0.766 -0.145 178 1HG1 VAL 27 HG11 VAL 27 55.799 0.549 1.336 179 2HG1 VAL 27 HG12 VAL 27 56.119 -1.071 1.962 180 3HG1 VAL 27 HG13 VAL 27 54.500 -0.380 2.084 181 1HG2 VAL 27 HG21 VAL 27 56.916 -1.029 -0.921 182 2HG2 VAL 27 HG22 VAL 27 56.169 0.561 -0.767 183 3HG2 VAL 27 HG23 VAL 27 55.540 -0.598 -1.939 184 H ASP 28 HN ASP 28 55.416 -3.037 2.638 185 HA ASP 28 HA ASP 28 52.573 -3.516 3.216 186 1HB ASP 28 HB2 ASP 28 54.132 -5.600 2.269 187 2HB ASP 28 HB1 ASP 28 54.223 -5.812 4.018 188 H LYS 29 HN LYS 29 52.222 -2.787 5.277 189 HA LYS 29 HA LYS 29 52.706 -1.976 7.449 190 1HB LYS 29 HB2 LYS 29 54.429 -4.440 7.113 191 2HB LYS 29 HB1 LYS 29 54.283 -3.601 8.656 192 1HG LYS 29 HG2 LYS 29 51.811 -3.873 8.527 193 2HG LYS 29 HG1 LYS 29 52.015 -4.805 7.045 194 1HD LYS 29 HD2 LYS 29 53.494 -5.582 9.550 195 2HD LYS 29 HD1 LYS 29 51.822 -6.089 9.308 196 1HE LYS 29 HE2 LYS 29 52.625 -7.813 8.073 197 2HE LYS 29 HE1 LYS 29 53.135 -6.620 6.861 198 1HZ LYS 29 HZ1 LYS 29 55.142 -6.234 8.236 199 2HZ LYS 29 HZ2 LYS 29 55.065 -7.806 7.597 200 3HZ LYS 29 HZ3 LYS 29 54.684 -7.529 9.229 201 H SER 30 HN SER 30 54.264 -0.805 5.215 202 HA SER 30 HA SER 30 56.763 -0.101 6.723 203 1HB SER 30 HB2 SER 30 56.282 -0.296 3.735 204 2HB SER 30 HB1 SER 30 57.808 0.137 4.499 205 HG SER 30 HG SER 30 56.413 -2.274 5.026 206 H GLU 31 HN GLU 31 57.550 1.973 5.019 207 HA GLU 31 HA GLU 31 55.269 3.912 5.077 208 1HB GLU 31 HB2 GLU 31 57.114 3.753 7.060 209 2HB GLU 31 HB1 GLU 31 57.947 4.853 5.959 210 1HG GLU 31 HG2 GLU 31 56.335 6.504 6.168 211 2HG GLU 31 HG1 GLU 31 55.052 5.353 6.535 212 H VAL 32 HN VAL 32 58.782 3.910 4.363 213 HA VAL 32 HA VAL 32 59.944 4.576 2.421 214 HB VAL 32 HB VAL 32 57.252 4.094 1.109 215 1HG1 VAL 32 HG11 VAL 32 60.014 3.549 0.026 216 2HG1 VAL 32 HG12 VAL 32 59.245 5.126 -0.165 217 3HG1 VAL 32 HG13 VAL 32 58.499 3.688 -0.866 218 1HG2 VAL 32 HG21 VAL 32 58.424 2.273 2.729 219 2HG2 VAL 32 HG22 VAL 32 59.323 1.956 1.247 220 3HG2 VAL 32 HG23 VAL 32 57.566 1.817 1.259 221 H TYR 33 HN TYR 33 60.155 6.455 0.992 222 HA TYR 33 HA TYR 33 58.037 8.524 1.110 223 1HB TYR 33 HB2 TYR 33 60.597 8.496 2.645 224 2HB TYR 33 HB1 TYR 33 60.095 10.038 1.961 225 HD1 TYR 33 HD1 TYR 33 59.474 7.542 4.524 226 HD2 TYR 33 HD2 TYR 33 57.830 10.972 2.528 227 HE1 TYR 33 HE1 TYR 33 57.839 7.832 6.369 228 HE2 TYR 33 HE2 TYR 33 56.197 11.262 4.373 229 HH TYR 33 HH TYR 33 56.478 9.647 7.346 230 H GLY 34 HN GLY 34 61.348 7.657 0.111 231 1HA GLY 34 HA2 GLY 34 60.837 8.953 -2.514 232 2HA GLY 34 HA1 GLY 34 62.271 9.458 -1.614 233 H THR 35 HN THR 35 60.986 6.179 -1.629 234 HA THR 35 HA THR 35 63.587 5.096 -2.399 235 HB THR 35 HB THR 35 60.900 4.151 -1.503 236 HG1 THR 35 HG1 THR 35 62.762 4.587 -0.153 237 1HG2 THR 35 HG21 THR 35 61.956 1.749 -1.862 238 2HG2 THR 35 HG22 THR 35 62.779 2.551 -3.200 239 3HG2 THR 35 HG23 THR 35 61.016 2.517 -3.142 240 H THR 36 HN THR 36 63.899 3.680 -4.264 241 HA THR 36 HA THR 36 62.203 4.454 -6.611 242 HB THR 36 HB THR 36 64.895 3.229 -6.931 243 HG1 THR 36 HG1 THR 36 65.934 5.080 -6.278 244 1HG2 THR 36 HG21 THR 36 63.135 4.534 -8.565 245 2HG2 THR 36 HG22 THR 36 64.863 4.391 -8.883 246 3HG2 THR 36 HG23 THR 36 64.224 5.846 -8.117 247 H CYS 37 HN CYS 37 61.166 2.397 -5.067 248 HA CYS 37 HA CYS 37 61.898 -0.235 -5.306 249 1HB CYS 37 HB2 CYS 37 59.710 1.002 -4.504 250 2HB CYS 37 HB1 CYS 37 59.122 0.564 -6.105 251 H THR 38 HN THR 38 62.583 -1.439 -7.007 252 HA THR 38 HA THR 38 61.533 -0.794 -9.742 253 HB THR 38 HB THR 38 64.078 -2.239 -8.939 254 HG1 THR 38 HG1 THR 38 64.829 -0.348 -8.504 255 1HG2 THR 38 HG21 THR 38 64.723 -1.529 -11.284 256 2HG2 THR 38 HG22 THR 38 63.041 -1.049 -11.518 257 3HG2 THR 38 HG23 THR 38 63.440 -2.736 -11.197 258 H GLY 39 HN GLY 39 60.491 -2.629 -7.502 259 1HA GLY 39 HA2 GLY 39 59.048 -4.545 -8.313 260 2HA GLY 39 HA1 GLY 39 60.516 -5.179 -9.059 261 H SER 40 HN SER 40 60.157 -3.675 -5.851 262 HA SER 40 HA SER 40 61.168 -6.237 -4.661 263 1HB SER 40 HB2 SER 40 62.211 -3.656 -4.664 264 2HB SER 40 HB1 SER 40 61.446 -3.789 -3.082 265 HG SER 40 HG SER 40 62.636 -5.694 -2.747 266 H ARG 41 HN ARG 41 60.672 -5.475 -1.964 267 HA ARG 41 HA ARG 41 57.864 -4.727 -1.638 268 1HB ARG 41 HB2 ARG 41 57.440 -6.894 -2.496 269 2HB ARG 41 HB1 ARG 41 58.815 -7.591 -1.638 270 1HG ARG 41 HG2 ARG 41 57.702 -7.386 0.483 271 2HG ARG 41 HG1 ARG 41 56.405 -6.423 -0.224 272 1HD ARG 41 HD2 ARG 41 55.650 -8.330 -1.548 273 2HD ARG 41 HD1 ARG 41 57.008 -9.309 -0.961 274 HE ARG 41 HE ARG 41 55.937 -8.593 1.392 275 1HH1 ARG 41 HH2 ARG 41 53.804 -8.323 -1.135 276 2HH1 ARG 41 HH2 ARG 41 52.671 -9.504 -0.564 277 1HH2 ARG 41 HH1 ARG 41 54.741 -10.655 1.969 278 2HH2 ARG 41 HH1 ARG 41 53.200 -10.822 1.194 279 H PHE 42 HN PHE 42 57.406 -4.296 0.551 280 HA PHE 42 HA PHE 42 59.641 -4.809 2.486 281 1HB PHE 42 HB2 PHE 42 57.529 -2.627 2.526 282 2HB PHE 42 HB1 PHE 42 58.981 -2.714 3.527 283 HD1 PHE 42 HD1 PHE 42 58.031 -0.514 1.461 284 HD2 PHE 42 HD2 PHE 42 60.821 -3.775 1.286 285 HE1 PHE 42 HE1 PHE 42 59.310 0.674 -0.300 286 HE2 PHE 42 HE2 PHE 42 62.102 -2.586 -0.474 287 HZ PHE 42 HZ PHE 42 61.345 -0.361 -1.267 288 H ASP 43 HN ASP 43 58.702 -4.867 4.848 289 HA ASP 43 HA ASP 43 55.931 -5.832 5.079 290 1HB ASP 43 HB2 ASP 43 58.033 -7.599 4.414 291 2HB ASP 43 HB1 ASP 43 57.686 -7.890 6.117 292 H GLY 44 HN GLY 44 57.304 -3.678 6.314 293 1HA GLY 44 HA2 GLY 44 56.667 -3.240 8.750 294 2HA GLY 44 HA1 GLY 44 57.633 -4.672 9.114 295 H VAL 45 HN VAL 45 58.099 -1.720 7.110 296 HA VAL 45 HA VAL 45 60.683 -1.310 8.570 297 HB VAL 45 HB VAL 45 61.880 -1.256 6.555 298 1HG1 VAL 45 HG11 VAL 45 60.937 -3.526 6.976 299 2HG1 VAL 45 HG12 VAL 45 61.241 -3.211 5.265 300 3HG1 VAL 45 HG13 VAL 45 59.598 -3.128 5.898 301 1HG2 VAL 45 HG21 VAL 45 60.892 -0.868 4.359 302 2HG2 VAL 45 HG22 VAL 45 60.375 0.408 5.462 303 3HG2 VAL 45 HG23 VAL 45 59.270 -0.906 5.053 304 H THR 46 HN THR 46 61.600 0.907 7.405 305 HA THR 46 HA THR 46 59.455 2.915 7.080 306 HB THR 46 HB THR 46 61.512 2.994 9.321 307 HG1 THR 46 HG1 THR 46 60.036 2.042 10.438 308 1HG2 THR 46 HG21 THR 46 61.065 5.235 8.616 309 2HG2 THR 46 HG22 THR 46 60.058 4.965 10.039 310 3HG2 THR 46 HG23 THR 46 59.343 4.903 8.428 311 H ILE 47 HN ILE 47 61.055 2.270 5.041 312 HA ILE 47 HA ILE 47 63.606 3.709 5.071 313 HB ILE 47 HB ILE 47 63.318 1.646 3.804 314 1HG1 ILE 47 HG12 ILE 47 63.410 3.992 1.876 315 2HG1 ILE 47 HG11 ILE 47 64.781 3.451 2.844 316 1HG2 ILE 47 HG21 ILE 47 60.780 2.795 3.209 317 2HG2 ILE 47 HG22 ILE 47 61.365 1.186 2.790 318 3HG2 ILE 47 HG23 ILE 47 61.613 2.532 1.678 319 1HD1 ILE 47 HD1 ILE 47 63.445 2.095 0.525 320 2HD1 ILE 47 HD1 ILE 47 64.221 1.104 1.762 321 3HD1 ILE 47 HD1 ILE 47 65.165 2.292 0.862 322 H THR 48 HN THR 48 64.009 5.342 3.278 323 HA THR 48 HA THR 48 61.629 6.976 2.558 324 HB THR 48 HB THR 48 62.684 8.965 3.537 325 HG1 THR 48 HG1 THR 48 64.608 8.373 4.915 326 1HG2 THR 48 HG21 THR 48 62.316 8.473 5.809 327 2HG2 THR 48 HG22 THR 48 62.908 6.820 5.635 328 3HG2 THR 48 HG23 THR 48 61.342 7.273 4.957 329 H THR 49 HN THR 49 63.743 9.133 1.950 330 HA THR 49 HA THR 49 64.157 8.634 -0.791 331 HB THR 49 HB THR 49 65.942 10.147 1.145 332 HG1 THR 49 HG1 THR 49 64.018 11.477 -0.307 333 1HG2 THR 49 HG21 THR 49 66.340 11.576 -0.867 334 2HG2 THR 49 HG22 THR 49 65.416 10.415 -1.824 335 3HG2 THR 49 HG23 THR 49 66.930 9.923 -1.057 336 H SER 50 HN SER 50 64.895 6.413 -1.044 337 HA SER 50 HA SER 50 67.813 6.097 -0.627 338 1HB SER 50 HB2 SER 50 65.630 4.647 0.816 339 2HB SER 50 HB1 SER 50 67.067 3.733 0.369 340 HG SER 50 HG SER 50 66.725 5.554 2.329 341 H THR 51 HN THR 51 68.714 4.687 -2.148 342 HA THR 51 HA THR 51 66.849 3.710 -4.262 343 HB THR 51 HB THR 51 69.836 3.601 -4.424 344 HG1 THR 51 HG1 THR 51 69.681 5.612 -3.657 345 1HG2 THR 51 HG21 THR 51 67.940 4.708 -6.467 346 2HG2 THR 51 HG22 THR 51 68.042 2.963 -6.227 347 3HG2 THR 51 HG23 THR 51 69.473 3.874 -6.709 348 H SER 52 HN SER 52 66.554 1.536 -4.597 349 HA SER 52 HA SER 52 68.485 -0.435 -3.535 350 1HB SER 52 HB2 SER 52 66.885 -1.435 -2.028 351 2HB SER 52 HB1 SER 52 66.901 0.294 -1.685 352 HG SER 52 HG SER 52 64.788 -0.896 -2.036 353 H THR 53 HN THR 53 68.544 -2.156 -4.962 354 HA THR 53 HA THR 53 66.224 -2.451 -6.846 355 HB THR 53 HB THR 53 69.075 -3.415 -7.181 356 HG1 THR 53 HG1 THR 53 69.591 -1.433 -7.541 357 1HG2 THR 53 HG21 THR 53 67.838 -4.476 -8.822 358 2HG2 THR 53 HG22 THR 53 68.213 -2.968 -9.652 359 3HG2 THR 53 HG23 THR 53 66.637 -3.188 -8.896 360 H GLY 54 HN GLY 54 64.954 -4.142 -6.169 361 1HA GLY 54 HA2 GLY 54 64.355 -6.252 -5.323 362 2HA GLY 54 HA1 GLY 54 65.839 -6.821 -6.092 363 H SER 55 HN SER 55 64.482 -5.533 -3.098 364 HA SER 55 HA SER 55 66.618 -6.900 -1.574 365 1HB SER 55 HB2 SER 55 67.221 -4.782 -0.430 366 2HB SER 55 HB1 SER 55 67.545 -4.700 -2.157 367 HG SER 55 HG SER 55 66.163 -3.008 -0.833 368 H ARG 56 HN ARG 56 65.334 -8.050 -0.174 369 HA ARG 56 HA ARG 56 62.700 -7.256 0.679 370 1HB ARG 56 HB2 ARG 56 63.675 -9.575 0.558 371 2HB ARG 56 HB1 ARG 56 64.674 -9.178 1.956 372 1HG ARG 56 HG2 ARG 56 62.912 -9.269 3.414 373 2HG ARG 56 HG1 ARG 56 61.767 -8.632 2.232 374 1HD ARG 56 HD2 ARG 56 61.292 -10.725 1.364 375 2HD ARG 56 HD1 ARG 56 62.912 -11.354 1.725 376 HE ARG 56 HE ARG 56 61.240 -10.659 4.061 377 1HH1 ARG 56 HH2 ARG 56 63.641 -12.683 3.305 378 2HH1 ARG 56 HH2 ARG 56 62.859 -14.161 3.755 379 1HH2 ARG 56 HH1 ARG 56 59.721 -12.722 4.057 380 2HH2 ARG 56 HH1 ARG 56 60.641 -14.184 4.182 381 H ILE 57 HN ILE 57 62.297 -5.588 2.091 382 HA ILE 57 HA ILE 57 64.435 -4.745 3.974 383 HB ILE 57 HB ILE 57 61.761 -3.466 3.348 384 1HG1 ILE 57 HG12 ILE 57 63.020 -3.858 1.256 385 2HG1 ILE 57 HG11 ILE 57 62.988 -2.140 1.657 386 1HG2 ILE 57 HG21 ILE 57 64.376 -2.201 4.178 387 2HG2 ILE 57 HG22 ILE 57 63.170 -2.730 5.351 388 3HG2 ILE 57 HG23 ILE 57 62.773 -1.468 4.185 389 1HD1 ILE 57 HD1 ILE 57 65.246 -2.388 1.217 390 2HD1 ILE 57 HD1 ILE 57 65.273 -4.066 1.758 391 3HD1 ILE 57 HD1 ILE 57 65.237 -2.760 2.940 392 H SER 58 HN SER 58 62.186 -7.047 4.162 393 HA SER 58 HA SER 58 60.373 -6.681 6.199 394 1HB SER 58 HB2 SER 58 62.165 -8.849 5.290 395 2HB SER 58 HB1 SER 58 61.525 -9.060 6.916 396 HG SER 58 HG SER 58 59.499 -8.249 5.522 397 H GLY 59 HN GLY 59 60.439 -6.501 8.477 398 1HA GLY 59 HA2 GLY 59 62.673 -6.963 10.137 399 2HA GLY 59 HA1 GLY 59 62.753 -5.272 9.644 400 HA PRO 60 HA PRO 60 59.432 -6.013 12.940 401 1HB PRO 60 HB2 PRO 60 60.844 -6.296 15.267 402 2HB PRO 60 HB1 PRO 60 60.347 -7.677 14.269 403 1HG PRO 60 HG2 PRO 60 63.004 -6.427 14.568 404 2HG PRO 60 HG1 PRO 60 62.577 -8.100 14.193 405 1HD PRO 60 HD2 PRO 60 63.447 -6.168 12.367 406 2HD PRO 60 HD1 PRO 60 62.692 -7.725 11.966 407 H GLY 61 HN GLY 61 61.977 -4.033 12.217 408 1HA GLY 61 HA2 GLY 61 60.792 -1.655 13.251 409 2HA GLY 61 HA1 GLY 61 62.125 -2.134 14.309 410 H CYS 62 HN CYS 62 62.034 -2.775 10.855 411 HA CYS 62 HA CYS 62 64.660 -1.812 10.359 412 1HB CYS 62 HB2 CYS 62 62.554 -3.101 9.008 413 2HB CYS 62 HB1 CYS 62 62.890 -1.651 8.064 414 H LYS 63 HN LYS 63 65.363 0.097 9.302 415 HA LYS 63 HA LYS 63 63.488 2.311 8.797 416 1HB LYS 63 HB2 LYS 63 63.815 2.532 11.188 417 2HB LYS 63 HB1 LYS 63 65.558 2.305 11.018 418 1HG LYS 63 HG2 LYS 63 65.740 4.393 9.758 419 2HG LYS 63 HG1 LYS 63 63.991 4.610 9.821 420 1HD LYS 63 HD2 LYS 63 64.898 4.184 12.490 421 2HD LYS 63 HD1 LYS 63 65.944 5.403 11.757 422 1HE LYS 63 HE2 LYS 63 64.092 6.632 12.654 423 2HE LYS 63 HE1 LYS 63 63.750 6.504 10.915 424 1HZ LYS 63 HZ1 LYS 63 62.849 4.474 12.878 425 2HZ LYS 63 HZ2 LYS 63 62.342 4.668 11.268 426 3HZ LYS 63 HZ3 LYS 63 61.889 5.804 12.446 427 H ILE 64 HN ILE 64 64.278 2.925 6.802 428 HA ILE 64 HA ILE 64 67.256 3.032 6.481 429 HB ILE 64 HB ILE 64 64.993 2.356 4.597 430 1HG1 ILE 64 HG12 ILE 64 67.279 0.597 4.620 431 2HG1 ILE 64 HG11 ILE 64 66.715 0.858 6.270 432 1HG2 ILE 64 HG21 ILE 64 66.406 2.492 2.752 433 2HG2 ILE 64 HG22 ILE 64 67.866 2.357 3.732 434 3HG2 ILE 64 HG23 ILE 64 66.970 3.874 3.689 435 1HD1 ILE 64 HD1 ILE 64 64.560 0.040 5.795 436 2HD1 ILE 64 HD1 ILE 64 65.623 -1.055 4.910 437 3HD1 ILE 64 HD1 ILE 64 64.775 0.234 4.055 438 H SER 65 HN SER 65 68.123 4.830 5.423 439 HA SER 65 HA SER 65 66.346 7.002 4.485 440 1HB SER 65 HB2 SER 65 68.359 8.045 6.309 441 2HB SER 65 HB1 SER 65 66.617 8.299 6.322 442 HG SER 65 HG SER 65 67.703 7.104 8.151 443 H THR 66 HN THR 66 67.276 7.500 2.537 444 HA THR 66 HA THR 66 68.963 7.826 0.892 445 HB THR 66 HB THR 66 70.793 8.601 3.136 446 HG1 THR 66 HG1 THR 66 68.244 9.601 2.615 447 1HG2 THR 66 HG21 THR 66 70.853 8.916 0.424 448 2HG2 THR 66 HG22 THR 66 71.688 9.979 1.561 449 3HG2 THR 66 HG23 THR 66 70.106 10.434 0.926 450 H CYS 67 HN CYS 67 68.947 5.325 0.932 451 HA CYS 67 HA CYS 67 71.731 4.355 1.545 452 1HB CYS 67 HB2 CYS 67 69.035 3.188 2.287 453 2HB CYS 67 HB1 CYS 67 70.503 2.215 2.272 454 H ILE 68 HN ILE 68 72.457 3.869 -0.550 455 HA ILE 68 HA ILE 68 70.637 2.956 -2.645 456 HB ILE 68 HB ILE 68 73.652 3.115 -2.410 457 1HG1 ILE 68 HG12 ILE 68 71.664 5.112 -2.590 458 2HG1 ILE 68 HG11 ILE 68 73.399 5.324 -2.793 459 1HG2 ILE 68 HG21 ILE 68 71.926 2.752 -4.877 460 2HG2 ILE 68 HG22 ILE 68 72.859 1.469 -4.107 461 3HG2 ILE 68 HG23 ILE 68 73.688 2.845 -4.836 462 1HD1 ILE 68 HD1 ILE 68 73.176 4.819 -5.198 463 2HD1 ILE 68 HD1 ILE 68 72.178 6.201 -4.739 464 3HD1 ILE 68 HD1 ILE 68 71.436 4.620 -4.991 465 H ILE 69 HN ILE 69 70.269 0.815 -3.230 466 HA ILE 69 HA ILE 69 72.025 -1.285 -2.077 467 HB ILE 69 HB ILE 69 69.016 -1.392 -1.793 468 1HG1 ILE 69 HG12 ILE 69 71.014 -0.309 0.236 469 2HG1 ILE 69 HG11 ILE 69 69.864 0.671 -0.678 470 1HG2 ILE 69 HG21 ILE 69 70.694 -3.395 -1.514 471 2HG2 ILE 69 HG22 ILE 69 69.421 -3.159 -0.316 472 3HG2 ILE 69 HG23 ILE 69 71.066 -2.625 0.028 473 1HD1 ILE 69 HD1 ILE 69 68.276 -1.331 0.409 474 2HD1 ILE 69 HD1 ILE 69 68.416 0.321 1.009 475 3HD1 ILE 69 HD1 ILE 69 69.417 -0.957 1.701 476 H THR 70 HN THR 70 71.705 -3.383 -3.149 477 HA THR 70 HA THR 70 69.968 -3.483 -5.537 478 HB THR 70 HB THR 70 72.987 -3.294 -5.573 479 HG1 THR 70 HG1 THR 70 72.465 -1.732 -7.166 480 1HG2 THR 70 HG21 THR 70 73.127 -4.653 -7.357 481 2HG2 THR 70 HG22 THR 70 71.860 -3.748 -8.184 482 3HG2 THR 70 HG23 THR 70 71.434 -5.087 -7.123 483 H GLY 71 HN GLY 71 69.049 -5.412 -4.727 484 1HA GLY 71 HA2 GLY 71 69.042 -7.810 -4.836 485 2HA GLY 71 HA1 GLY 71 70.807 -7.783 -4.871 486 H GLY 72 HN GLY 72 69.259 -5.786 -2.526 487 1HA GLY 72 HA2 GLY 72 68.827 -6.193 -0.209 488 2HA GLY 72 HA1 GLY 72 69.428 -7.837 -0.410 489 H VAL 73 HN VAL 73 71.385 -5.444 -1.837 490 HA VAL 73 HA VAL 73 73.295 -5.522 0.487 491 HB VAL 73 HB VAL 73 75.037 -5.786 -1.171 492 1HG1 VAL 73 HG11 VAL 73 74.499 -7.914 -2.027 493 2HG1 VAL 73 HG12 VAL 73 72.813 -7.477 -2.308 494 3HG1 VAL 73 HG13 VAL 73 73.391 -7.757 -0.665 495 1HG2 VAL 73 HG21 VAL 73 74.056 -5.919 -3.660 496 2HG2 VAL 73 HG22 VAL 73 74.554 -4.384 -2.948 497 3HG2 VAL 73 HG23 VAL 73 72.848 -4.833 -2.969 498 HA PRO 74 HA PRO 74 72.882 -1.109 -0.047 499 1HB PRO 74 HB2 PRO 74 74.692 -0.344 1.837 500 2HB PRO 74 HB1 PRO 74 73.077 -0.942 2.245 501 1HG PRO 74 HG2 PRO 74 75.695 -2.332 2.384 502 2HG PRO 74 HG1 PRO 74 74.276 -2.489 3.427 503 1HD PRO 74 HD2 PRO 74 74.989 -4.272 1.436 504 2HD PRO 74 HD1 PRO 74 73.360 -4.115 2.129 505 H ALA 75 HN ALA 75 74.035 0.478 -1.203 506 HA ALA 75 HA ALA 75 76.648 -0.378 -2.352 507 1HB ALA 75 HB1 ALA 75 75.184 2.057 -3.251 508 2HB ALA 75 HB2 ALA 75 74.366 0.512 -3.488 509 3HB ALA 75 HB3 ALA 75 75.949 0.793 -4.213 510 HA PRO 76 HA PRO 76 78.944 2.805 -0.373 511 1HB PRO 76 HB2 PRO 76 80.323 4.037 -2.392 512 2HB PRO 76 HB1 PRO 76 80.698 2.396 -1.828 513 1HG PRO 76 HG2 PRO 76 79.172 3.270 -4.226 514 2HG PRO 76 HG1 PRO 76 80.306 1.923 -4.038 515 1HD PRO 76 HD2 PRO 76 77.588 1.635 -4.053 516 2HD PRO 76 HD1 PRO 76 78.694 0.516 -3.226 517 H SER 77 HN SER 77 77.476 4.341 0.449 518 HA SER 77 HA SER 77 76.729 6.591 -1.392 519 1HB SER 77 HB2 SER 77 75.039 4.877 -0.254 520 2HB SER 77 HB1 SER 77 75.251 5.942 1.134 521 HG SER 77 HG SER 77 73.582 6.361 -0.695 522 H ALA 78 HN ALA 78 78.171 5.667 1.659 523 HA ALA 78 HA ALA 78 79.339 6.955 3.262 524 1HB ALA 78 HB1 ALA 78 80.244 7.798 1.013 525 2HB ALA 78 HB2 ALA 78 80.418 8.902 2.377 526 3HB ALA 78 HB3 ALA 78 79.136 9.157 1.194 527 H ALA 79 HN ALA 79 76.234 7.289 2.574 528 HA ALA 79 HA ALA 79 75.814 9.449 4.597 529 1HB ALA 79 HB1 ALA 79 74.776 9.201 1.786 530 2HB ALA 79 HB2 ALA 79 75.459 10.612 2.593 531 3HB ALA 79 HB3 ALA 79 73.829 10.069 2.995 532 H CYS 80 HN CYS 80 74.918 6.366 3.297 533 HA CYS 80 HA CYS 80 72.239 6.119 4.243 534 1HB CYS 80 HB2 CYS 80 73.236 4.609 2.635 535 2HB CYS 80 HB1 CYS 80 74.494 4.153 3.770 536 H LYS 81 HN LYS 81 71.627 4.622 6.134 537 HA LYS 81 HA LYS 81 73.229 5.407 8.514 538 1HB LYS 81 HB2 LYS 81 71.198 5.573 9.583 539 2HB LYS 81 HB1 LYS 81 70.627 5.759 7.931 540 1HG LYS 81 HG2 LYS 81 70.795 2.990 9.115 541 2HG LYS 81 HG1 LYS 81 69.454 4.038 9.544 542 1HD LYS 81 HD2 LYS 81 68.502 3.884 7.496 543 2HD LYS 81 HD1 LYS 81 70.044 3.958 6.658 544 1HE LYS 81 HE2 LYS 81 70.374 1.523 7.642 545 2HE LYS 81 HE1 LYS 81 68.603 1.552 7.740 546 1HZ LYS 81 HZ1 LYS 81 68.864 2.603 5.375 547 2HZ LYS 81 HZ2 LYS 81 68.863 0.917 5.581 548 3HZ LYS 81 HZ3 LYS 81 70.330 1.750 5.383 549 H ILE 82 HN ILE 82 71.867 2.517 6.935 550 HA ILE 82 HA ILE 82 72.134 0.220 7.496 551 HB ILE 82 HB ILE 82 74.863 1.315 8.255 552 1HG1 ILE 82 HG12 ILE 82 74.046 2.115 6.020 553 2HG1 ILE 82 HG11 ILE 82 75.459 1.066 5.907 554 1HG2 ILE 82 HG21 ILE 82 73.725 -1.378 7.724 555 2HG2 ILE 82 HG22 ILE 82 75.067 -0.911 8.767 556 3HG2 ILE 82 HG23 ILE 82 75.309 -1.049 7.025 557 1HD1 ILE 82 HD1 ILE 82 74.037 0.178 4.265 558 2HD1 ILE 82 HD1 ILE 82 72.591 0.443 5.238 559 3HD1 ILE 82 HD1 ILE 82 73.708 -0.856 5.653 560 H SER 83 HN SER 83 70.694 1.173 9.492 561 HA SER 83 HA SER 83 72.169 0.564 12.027 562 1HB SER 83 HB2 SER 83 69.682 2.212 11.481 563 2HB SER 83 HB1 SER 83 70.465 2.031 13.049 564 HG SER 83 HG SER 83 71.518 3.738 12.371 565 H GLY 84 HN GLY 84 69.144 0.666 13.022 566 1HA GLY 84 HA2 GLY 84 68.843 -2.160 13.318 567 2HA GLY 84 HA1 GLY 84 67.603 -0.958 13.675 568 H CYS 85 HN CYS 85 69.162 -2.426 10.785 569 HA CYS 85 HA CYS 85 66.527 -3.133 9.730 570 1HB CYS 85 HB2 CYS 85 67.078 -0.608 9.314 571 2HB CYS 85 HB1 CYS 85 68.200 -1.214 8.105 572 H THR 86 HN THR 86 67.026 -3.820 7.201 573 HA THR 86 HA THR 86 69.662 -4.791 6.594 574 HB THR 86 HB THR 86 69.345 -6.191 8.523 575 HG1 THR 86 HG1 THR 86 69.862 -7.951 7.500 576 1HG2 THR 86 HG21 THR 86 66.748 -7.198 7.351 577 2HG2 THR 86 HG22 THR 86 66.800 -5.838 8.474 578 3HG2 THR 86 HG23 THR 86 67.369 -7.427 8.986 579 H PHE 87 HN PHE 87 69.644 -6.207 4.665 580 HA PHE 87 HA PHE 87 67.005 -6.242 3.238 581 1HB PHE 87 HB2 PHE 87 69.421 -6.019 1.565 582 2HB PHE 87 HB1 PHE 87 67.910 -5.134 1.452 583 HD1 PHE 87 HD1 PHE 87 67.677 -3.708 3.978 584 HD2 PHE 87 HD2 PHE 87 71.192 -4.527 1.628 585 HE1 PHE 87 HE1 PHE 87 68.810 -1.732 4.985 586 HE2 PHE 87 HE2 PHE 87 72.311 -2.565 2.641 587 HZ PHE 87 HZ PHE 87 71.127 -1.169 4.311 588 H SER 88 HN SER 88 66.792 -8.037 1.702 589 HA SER 88 HA SER 88 68.900 -10.143 1.837 590 1HB SER 88 HB2 SER 88 66.558 -10.090 3.405 591 2HB SER 88 HB1 SER 88 66.240 -11.261 2.129 592 HG SER 88 HG SER 88 67.746 -12.528 2.916 593 H ALA 89 HN ALA 89 67.624 -8.280 -0.247 594 HA ALA 89 HA ALA 89 66.914 -8.440 -2.496 595 1HB ALA 89 HB1 ALA 89 68.852 -10.407 -1.870 596 2HB ALA 89 HB2 ALA 89 68.468 -9.764 -3.466 597 3HB ALA 89 HB3 ALA 89 67.648 -11.210 -2.877 598 H ASN 90 HN ASN 90 64.598 -8.409 -1.866 599 HA ASN 90 HA ASN 90 63.121 -10.775 -1.196 600 1HB ASN 90 HB2 ASN 90 61.276 -9.326 -1.333 601 2HB ASN 90 HB1 ASN 90 62.604 -8.205 -1.045 602 1HD2 ASN 90 HD2 ASN 90 63.777 -7.969 -3.560 603 2HD2 ASN 90 HD2 ASN 90 62.658 -7.349 -4.674 Start of MODEL 8 1 1H ASP 1 HT1 ASP 1 44.912 5.329 3.877 2 2H ASP 1 HT2 ASP 1 44.960 6.731 4.835 3 3H ASP 1 HT3 ASP 1 45.534 5.255 5.454 4 HA ASP 1 HA ASP 1 47.293 6.898 4.694 5 1HB ASP 1 HB2 ASP 1 46.888 4.010 4.049 6 2HB ASP 1 HB1 ASP 1 48.319 4.794 3.378 7 H GLY 2 HN GLY 2 46.220 4.825 1.991 8 1HA GLY 2 HA2 GLY 2 45.374 6.689 0.134 9 2HA GLY 2 HA1 GLY 2 47.135 6.775 0.031 10 H SER 3 HN SER 3 44.581 5.362 -1.424 11 HA SER 3 HA SER 3 45.164 2.608 -1.663 12 1HB SER 3 HB2 SER 3 43.402 2.816 -3.070 13 2HB SER 3 HB1 SER 3 43.477 4.554 -2.794 14 HG SER 3 HG SER 3 43.637 3.950 -5.026 15 H CYS 4 HN CYS 4 46.130 5.156 -3.989 16 HA CYS 4 HA CYS 4 48.002 5.279 -5.421 17 1HB CYS 4 HB2 CYS 4 49.252 3.471 -3.335 18 2HB CYS 4 HB1 CYS 4 50.061 4.673 -4.341 19 H THR 5 HN THR 5 50.011 3.086 -5.576 20 HA THR 5 HA THR 5 48.847 0.580 -6.273 21 HB THR 5 HB THR 5 48.916 2.767 -8.348 22 HG1 THR 5 HG1 THR 5 47.158 0.698 -7.570 23 1HG2 THR 5 HG21 THR 5 49.816 0.005 -8.719 24 2HG2 THR 5 HG22 THR 5 49.982 1.393 -9.794 25 3HG2 THR 5 HG23 THR 5 48.493 0.446 -9.796 26 H ASN 6 HN ASN 6 51.352 3.019 -6.803 27 HA ASN 6 HA ASN 6 53.688 2.796 -7.006 28 1HB ASN 6 HB2 ASN 6 53.952 1.496 -5.120 29 2HB ASN 6 HB1 ASN 6 52.644 0.411 -5.572 30 1HD2 ASN 6 HD2 ASN 6 55.782 1.229 -7.154 31 2HD2 ASN 6 HD2 ASN 6 56.292 -0.383 -7.292 32 H THR 7 HN THR 7 52.430 2.769 -9.372 33 HA THR 7 HA THR 7 52.697 2.077 -11.623 34 HB THR 7 HB THR 7 54.816 0.177 -10.647 35 HG1 THR 7 HG1 THR 7 54.725 2.953 -10.410 36 1HG2 THR 7 HG21 THR 7 54.035 1.442 -13.130 37 2HG2 THR 7 HG22 THR 7 55.200 0.144 -12.863 38 3HG2 THR 7 HG23 THR 7 55.711 1.828 -12.736 39 H ASN 8 HN ASN 8 53.425 -0.831 -9.644 40 HA ASN 8 HA ASN 8 51.742 -2.553 -11.279 41 1HB ASN 8 HB2 ASN 8 53.572 -3.594 -10.204 42 2HB ASN 8 HB1 ASN 8 53.283 -2.739 -8.690 43 1HD2 ASN 8 HD2 ASN 8 50.569 -4.181 -10.402 44 2HD2 ASN 8 HD2 ASN 8 50.316 -5.451 -9.308 45 H SER 9 HN SER 9 51.408 -2.496 -7.767 46 HA SER 9 HA SER 9 49.243 -1.003 -7.130 47 1HB SER 9 HB2 SER 9 47.307 -2.703 -7.676 48 2HB SER 9 HB1 SER 9 47.883 -1.615 -8.936 49 HG SER 9 HG SER 9 48.579 -4.332 -8.496 50 H GLN 10 HN GLN 10 51.029 -2.155 -5.418 51 HA GLN 10 HA GLN 10 49.261 -4.001 -3.883 52 1HB GLN 10 HB2 GLN 10 51.973 -4.519 -5.008 53 2HB GLN 10 HB1 GLN 10 51.611 -5.177 -3.409 54 1HG GLN 10 HG2 GLN 10 49.481 -6.112 -4.371 55 2HG GLN 10 HG1 GLN 10 50.077 -5.654 -5.966 56 1HE2 GLN 10 HE21 GLN 10 51.779 -6.930 -6.904 57 2HE2 GLN 10 HE22 GLN 10 52.367 -8.347 -6.177 58 H LEU 11 HN LEU 11 50.488 -1.115 -3.787 59 HA LEU 11 HA LEU 11 52.173 -0.969 -1.461 60 1HB LEU 11 HB2 LEU 11 51.678 0.791 -3.237 61 2HB LEU 11 HB1 LEU 11 50.115 1.030 -2.459 62 HG LEU 11 HG LEU 11 51.099 1.861 -0.475 63 1HD1 LEU 11 HD1 LEU 11 53.554 0.463 -1.502 64 2HD1 LEU 11 HD1 LEU 11 52.809 0.385 0.093 65 3HD1 LEU 11 HD1 LEU 11 53.733 1.811 -0.375 66 1HD2 LEU 11 HD2 LEU 11 51.256 3.395 -2.447 67 2HD2 LEU 11 HD2 LEU 11 52.901 2.818 -2.719 68 3HD2 LEU 11 HD2 LEU 11 52.506 3.697 -1.241 69 H SER 12 HN SER 12 51.095 -2.591 -0.111 70 HA SER 12 HA SER 12 48.621 -2.966 0.849 71 1HB SER 12 HB2 SER 12 49.646 -3.399 3.039 72 2HB SER 12 HB1 SER 12 50.722 -3.919 1.745 73 HG SER 12 HG SER 12 50.940 -1.800 3.537 74 H ALA 13 HN ALA 13 46.980 -1.849 1.820 75 HA ALA 13 HA ALA 13 46.792 0.937 1.974 76 1HB ALA 13 HB1 ALA 13 44.760 -0.094 2.273 77 2HB ALA 13 HB2 ALA 13 45.153 0.100 3.982 78 3HB ALA 13 HB3 ALA 13 45.467 -1.436 3.174 79 H ASN 14 HN ASN 14 48.418 -1.262 4.127 80 HA ASN 14 HA ASN 14 48.557 0.583 6.393 81 1HB ASN 14 HB2 ASN 14 48.527 -1.924 6.496 82 2HB ASN 14 HB1 ASN 14 50.115 -1.938 5.730 83 1HD2 ASN 14 HD2 ASN 14 49.742 -3.024 8.344 84 2HD2 ASN 14 HD2 ASN 14 50.561 -2.041 9.459 85 H SER 15 HN SER 15 50.206 0.304 3.408 86 HA SER 15 HA SER 15 52.825 1.209 4.336 87 1HB SER 15 HB2 SER 15 52.513 -0.171 2.329 88 2HB SER 15 HB1 SER 15 51.500 1.073 1.607 89 HG SER 15 HG SER 15 54.153 1.547 2.474 90 H LYS 16 HN LYS 16 53.527 3.298 2.759 91 HA LYS 16 HA LYS 16 51.545 5.452 3.433 92 1HB LYS 16 HB2 LYS 16 53.847 5.167 4.666 93 2HB LYS 16 HB1 LYS 16 54.518 5.864 3.191 94 1HG LYS 16 HG2 LYS 16 53.744 7.933 3.689 95 2HG LYS 16 HG1 LYS 16 52.165 7.311 4.169 96 1HD LYS 16 HD2 LYS 16 53.777 6.387 6.197 97 2HD LYS 16 HD1 LYS 16 54.508 7.950 5.829 98 1HE LYS 16 HE2 LYS 16 51.990 8.786 5.838 99 2HE LYS 16 HE1 LYS 16 51.752 7.350 6.855 100 1HZ LYS 16 HZ1 LYS 16 52.640 9.666 7.815 101 2HZ LYS 16 HZ2 LYS 16 54.122 8.942 7.409 102 3HZ LYS 16 HZ3 LYS 16 53.061 8.165 8.485 103 H CYS 17 HN CYS 17 51.714 7.370 1.924 104 HA CYS 17 HA CYS 17 52.754 6.600 -0.779 105 1HB CYS 17 HB2 CYS 17 50.020 7.397 0.150 106 2HB CYS 17 HB1 CYS 17 50.526 7.851 -1.477 107 H GLU 18 HN GLU 18 51.931 9.169 1.506 108 HA GLU 18 HA GLU 18 52.213 11.504 0.061 109 1HB GLU 18 HB2 GLU 18 51.873 11.237 2.526 110 2HB GLU 18 HB1 GLU 18 53.587 10.844 2.685 111 1HG GLU 18 HG2 GLU 18 53.620 13.133 3.110 112 2HG GLU 18 HG1 GLU 18 53.915 13.109 1.371 113 H LYS 19 HN LYS 19 53.724 12.059 -1.458 114 HA LYS 19 HA LYS 19 55.797 12.229 -2.579 115 1HB LYS 19 HB2 LYS 19 56.008 12.975 0.116 116 2HB LYS 19 HB1 LYS 19 57.417 11.954 -0.175 117 1HG LYS 19 HG2 LYS 19 57.106 13.641 -2.449 118 2HG LYS 19 HG1 LYS 19 56.988 14.663 -1.017 119 1HD LYS 19 HD2 LYS 19 59.215 14.543 -0.754 120 2HD LYS 19 HD1 LYS 19 59.095 12.792 -0.573 121 1HE LYS 19 HE2 LYS 19 58.844 12.977 -3.269 122 2HE LYS 19 HE1 LYS 19 59.872 14.390 -2.958 123 1HZ LYS 19 HZ1 LYS 19 60.813 11.892 -3.115 124 2HZ LYS 19 HZ2 LYS 19 60.532 12.005 -1.443 125 3HZ LYS 19 HZ3 LYS 19 61.556 13.121 -2.213 126 H SER 20 HN SER 20 56.271 10.384 -3.766 127 HA SER 20 HA SER 20 58.179 8.472 -2.816 128 1HB SER 20 HB2 SER 20 56.452 6.544 -2.739 129 2HB SER 20 HB1 SER 20 56.502 7.646 -1.366 130 HG SER 20 HG SER 20 54.372 7.178 -2.338 131 H THR 21 HN THR 21 58.870 7.123 -4.504 132 HA THR 21 HA THR 21 57.283 7.109 -7.037 133 HB THR 21 HB THR 21 59.907 7.377 -7.860 134 HG1 THR 21 HG1 THR 21 60.974 8.467 -6.426 135 1HG2 THR 21 HG21 THR 21 59.246 9.770 -8.303 136 2HG2 THR 21 HG22 THR 21 57.787 9.481 -7.356 137 3HG2 THR 21 HG23 THR 21 58.064 8.582 -8.849 138 H LEU 22 HN LEU 22 56.869 4.851 -6.365 139 HA LEU 22 HA LEU 22 59.243 3.045 -6.352 140 1HB LEU 22 HB2 LEU 22 56.316 2.503 -5.781 141 2HB LEU 22 HB1 LEU 22 57.675 1.476 -5.349 142 HG LEU 22 HG LEU 22 57.093 4.242 -4.260 143 1HD1 LEU 22 HD1 LEU 22 56.774 3.032 -2.147 144 2HD1 LEU 22 HD1 LEU 22 57.157 1.507 -2.952 145 3HD1 LEU 22 HD1 LEU 22 55.691 2.389 -3.383 146 1HD2 LEU 22 HD2 LEU 22 59.586 3.451 -4.621 147 2HD2 LEU 22 HD2 LEU 22 59.251 2.413 -3.237 148 3HD2 LEU 22 HD2 LEU 22 59.113 4.163 -3.080 149 H THR 23 HN THR 23 58.399 0.749 -7.286 150 HA THR 23 HA THR 23 56.804 0.912 -9.735 151 HB THR 23 HB THR 23 59.816 0.537 -9.895 152 HG1 THR 23 HG1 THR 23 59.594 2.533 -11.114 153 1HG2 THR 23 HG21 THR 23 59.053 0.919 -12.426 154 2HG2 THR 23 HG22 THR 23 57.552 0.221 -11.814 155 3HG2 THR 23 HG23 THR 23 59.059 -0.688 -11.698 156 H ASN 24 HN ASN 24 55.858 -1.089 -9.849 157 HA ASN 24 HA ASN 24 55.478 -3.383 -9.427 158 1HB ASN 24 HB2 ASN 24 58.425 -3.172 -10.100 159 2HB ASN 24 HB1 ASN 24 57.658 -4.730 -9.796 160 1HD2 ASN 24 HD2 ASN 24 58.105 -2.254 -12.176 161 2HD2 ASN 24 HD2 ASN 24 57.057 -2.898 -13.346 162 H CYS 25 HN CYS 25 55.204 -2.347 -7.110 163 HA CYS 25 HA CYS 25 57.175 -3.674 -5.274 164 1HB CYS 25 HB2 CYS 25 56.650 -0.983 -5.597 165 2HB CYS 25 HB1 CYS 25 55.613 -1.389 -4.240 166 H TYR 26 HN TYR 26 56.157 -4.081 -3.089 167 HA TYR 26 HA TYR 26 53.238 -4.551 -3.099 168 1HB TYR 26 HB2 TYR 26 54.262 -6.575 -4.071 169 2HB TYR 26 HB1 TYR 26 55.379 -6.679 -2.715 170 HD1 TYR 26 HD1 TYR 26 52.181 -5.486 -1.658 171 HD2 TYR 26 HD2 TYR 26 54.324 -9.074 -2.657 172 HE1 TYR 26 HE1 TYR 26 50.514 -6.835 -0.408 173 HE2 TYR 26 HE2 TYR 26 52.661 -10.417 -1.405 174 HH TYR 26 HH TYR 26 50.042 -8.871 0.421 175 H VAL 27 HN VAL 27 55.061 -2.766 -1.871 176 HA VAL 27 HA VAL 27 56.191 -3.001 0.536 177 HB VAL 27 HB VAL 27 53.884 -1.095 0.112 178 1HG1 VAL 27 HG11 VAL 27 56.047 -1.330 2.016 179 2HG1 VAL 27 HG12 VAL 27 54.718 -0.169 1.986 180 3HG1 VAL 27 HG13 VAL 27 56.207 0.173 1.104 181 1HG2 VAL 27 HG21 VAL 27 56.533 -1.313 -1.280 182 2HG2 VAL 27 HG22 VAL 27 55.886 0.292 -0.941 183 3HG2 VAL 27 HG23 VAL 27 54.963 -0.840 -1.938 184 H ASP 28 HN ASP 28 55.640 -3.317 2.692 185 HA ASP 28 HA ASP 28 52.834 -3.903 3.437 186 1HB ASP 28 HB2 ASP 28 54.656 -5.891 2.632 187 2HB ASP 28 HB1 ASP 28 54.633 -5.983 4.390 188 H LYS 29 HN LYS 29 52.562 -2.848 5.373 189 HA LYS 29 HA LYS 29 53.141 -1.725 7.376 190 1HB LYS 29 HB2 LYS 29 54.716 -4.306 7.365 191 2HB LYS 29 HB1 LYS 29 54.750 -3.217 8.752 192 1HG LYS 29 HG2 LYS 29 52.059 -3.830 7.675 193 2HG LYS 29 HG1 LYS 29 52.897 -5.180 8.439 194 1HD LYS 29 HD2 LYS 29 52.615 -2.460 9.740 195 2HD LYS 29 HD1 LYS 29 51.475 -3.778 10.007 196 1HE LYS 29 HE2 LYS 29 53.572 -5.192 10.623 197 2HE LYS 29 HE1 LYS 29 54.383 -3.623 10.803 198 1HZ LYS 29 HZ1 LYS 29 52.890 -4.743 12.722 199 2HZ LYS 29 HZ2 LYS 29 51.722 -3.788 11.940 200 3HZ LYS 29 HZ3 LYS 29 53.128 -3.071 12.568 201 H SER 30 HN SER 30 54.350 -0.425 5.358 202 HA SER 30 HA SER 30 57.069 0.171 6.435 203 1HB SER 30 HB2 SER 30 56.411 -0.225 3.504 204 2HB SER 30 HB1 SER 30 58.000 0.044 4.195 205 HG SER 30 HG SER 30 56.308 -2.208 4.417 206 H GLU 31 HN GLU 31 57.886 2.269 5.346 207 HA GLU 31 HA GLU 31 55.547 4.116 4.976 208 1HB GLU 31 HB2 GLU 31 57.638 4.080 6.834 209 2HB GLU 31 HB1 GLU 31 58.088 5.345 5.690 210 1HG GLU 31 HG2 GLU 31 56.155 6.598 6.112 211 2HG GLU 31 HG1 GLU 31 55.275 5.206 6.744 212 H VAL 32 HN VAL 32 59.046 4.294 4.254 213 HA VAL 32 HA VAL 32 60.157 4.774 2.220 214 HB VAL 32 HB VAL 32 57.491 4.284 0.889 215 1HG1 VAL 32 HG11 VAL 32 59.450 5.001 -0.476 216 2HG1 VAL 32 HG12 VAL 32 58.910 3.372 -0.884 217 3HG1 VAL 32 HG13 VAL 32 60.344 3.602 0.117 218 1HG2 VAL 32 HG21 VAL 32 58.311 1.835 0.881 219 2HG2 VAL 32 HG22 VAL 32 57.630 2.439 2.390 220 3HG2 VAL 32 HG23 VAL 32 59.379 2.315 2.200 221 H TYR 33 HN TYR 33 60.534 6.694 1.076 222 HA TYR 33 HA TYR 33 58.333 8.725 1.018 223 1HB TYR 33 HB2 TYR 33 61.113 8.882 2.186 224 2HB TYR 33 HB1 TYR 33 60.237 10.339 1.719 225 HD1 TYR 33 HD1 TYR 33 59.995 7.263 3.818 226 HD2 TYR 33 HD2 TYR 33 58.551 11.245 3.102 227 HE1 TYR 33 HE1 TYR 33 58.704 7.176 5.935 228 HE2 TYR 33 HE2 TYR 33 57.262 11.158 5.218 229 HH TYR 33 HH TYR 33 56.867 9.998 7.083 230 H GLY 34 HN GLY 34 61.737 8.166 0.001 231 1HA GLY 34 HA2 GLY 34 60.962 9.209 -2.693 232 2HA GLY 34 HA1 GLY 34 62.469 9.709 -1.924 233 H THR 35 HN THR 35 61.483 6.456 -1.361 234 HA THR 35 HA THR 35 63.877 5.392 -2.575 235 HB THR 35 HB THR 35 61.387 4.371 -1.251 236 HG1 THR 35 HG1 THR 35 63.343 5.033 -0.155 237 1HG2 THR 35 HG21 THR 35 63.333 2.688 -2.847 238 2HG2 THR 35 HG22 THR 35 61.578 2.753 -3.014 239 3HG2 THR 35 HG23 THR 35 62.302 2.022 -1.581 240 H THR 36 HN THR 36 63.998 4.002 -4.431 241 HA THR 36 HA THR 36 61.833 4.476 -6.446 242 HB THR 36 HB THR 36 64.645 3.623 -7.080 243 HG1 THR 36 HG1 THR 36 65.425 5.402 -6.321 244 1HG2 THR 36 HG21 THR 36 63.960 5.600 -8.809 245 2HG2 THR 36 HG22 THR 36 62.364 4.962 -8.414 246 3HG2 THR 36 HG23 THR 36 63.597 3.898 -9.088 247 H CYS 37 HN CYS 37 61.131 2.452 -4.855 248 HA CYS 37 HA CYS 37 62.057 -0.106 -4.881 249 1HB CYS 37 HB2 CYS 37 59.869 0.628 -3.991 250 2HB CYS 37 HB1 CYS 37 59.251 0.767 -5.627 251 H THR 38 HN THR 38 62.444 -1.731 -6.355 252 HA THR 38 HA THR 38 61.462 -1.380 -9.154 253 HB THR 38 HB THR 38 64.295 -2.019 -8.261 254 HG1 THR 38 HG1 THR 38 63.043 0.250 -9.384 255 1HG2 THR 38 HG21 THR 38 64.190 -3.145 -10.265 256 2HG2 THR 38 HG22 THR 38 64.519 -1.525 -10.881 257 3HG2 THR 38 HG23 THR 38 62.868 -2.147 -10.875 258 H GLY 39 HN GLY 39 59.961 -3.071 -8.151 259 1HA GLY 39 HA2 GLY 39 59.283 -5.324 -8.288 260 2HA GLY 39 HA1 GLY 39 60.884 -5.726 -8.904 261 H SER 40 HN SER 40 59.592 -4.404 -5.824 262 HA SER 40 HA SER 40 60.867 -6.666 -4.367 263 1HB SER 40 HB2 SER 40 61.344 -3.853 -3.430 264 2HB SER 40 HB1 SER 40 62.320 -5.294 -3.160 265 HG SER 40 HG SER 40 62.844 -3.516 -4.883 266 H ARG 41 HN ARG 41 60.333 -6.259 -1.866 267 HA ARG 41 HA ARG 41 57.723 -4.894 -1.486 268 1HB ARG 41 HB2 ARG 41 57.184 -7.126 -2.343 269 2HB ARG 41 HB1 ARG 41 58.228 -7.866 -1.129 270 1HG ARG 41 HG2 ARG 41 56.537 -6.244 0.368 271 2HG ARG 41 HG1 ARG 41 55.479 -6.912 -0.875 272 1HD ARG 41 HD2 ARG 41 56.378 -9.203 -0.320 273 2HD ARG 41 HD1 ARG 41 57.230 -8.468 1.053 274 HE ARG 41 HE ARG 41 54.546 -7.576 1.165 275 1HH1 ARG 41 HH2 ARG 41 56.482 -9.484 2.913 276 2HH1 ARG 41 HH2 ARG 41 55.320 -10.707 3.303 277 1HH2 ARG 41 HH1 ARG 41 52.977 -9.597 1.002 278 2HH2 ARG 41 HH1 ARG 41 53.340 -10.775 2.220 279 H PHE 42 HN PHE 42 57.259 -4.543 0.789 280 HA PHE 42 HA PHE 42 59.607 -5.050 2.593 281 1HB PHE 42 HB2 PHE 42 57.498 -2.884 2.793 282 2HB PHE 42 HB1 PHE 42 59.037 -2.958 3.652 283 HD1 PHE 42 HD1 PHE 42 57.852 -0.772 1.699 284 HD2 PHE 42 HD2 PHE 42 60.682 -3.972 1.252 285 HE1 PHE 42 HE1 PHE 42 58.958 0.462 -0.144 286 HE2 PHE 42 HE2 PHE 42 61.788 -2.732 -0.591 287 HZ PHE 42 HZ PHE 42 60.925 -0.512 -1.280 288 H ASP 43 HN ASP 43 58.666 -4.713 5.020 289 HA ASP 43 HA ASP 43 56.011 -5.751 5.534 290 1HB ASP 43 HB2 ASP 43 57.750 -7.636 4.651 291 2HB ASP 43 HB1 ASP 43 58.084 -7.702 6.383 292 H GLY 44 HN GLY 44 57.225 -3.521 6.548 293 1HA GLY 44 HA2 GLY 44 56.907 -2.913 8.965 294 2HA GLY 44 HA1 GLY 44 57.880 -4.330 9.351 295 H VAL 45 HN VAL 45 58.209 -1.429 7.222 296 HA VAL 45 HA VAL 45 60.883 -0.997 8.497 297 HB VAL 45 HB VAL 45 62.015 -1.119 6.453 298 1HG1 VAL 45 HG11 VAL 45 61.127 -3.330 7.022 299 2HG1 VAL 45 HG12 VAL 45 61.229 -3.125 5.273 300 3HG1 VAL 45 HG13 VAL 45 59.670 -2.990 6.089 301 1HG2 VAL 45 HG21 VAL 45 60.606 -1.130 4.254 302 2HG2 VAL 45 HG22 VAL 45 60.910 0.405 5.069 303 3HG2 VAL 45 HG23 VAL 45 59.358 -0.405 5.264 304 H THR 46 HN THR 46 61.756 1.129 7.063 305 HA THR 46 HA THR 46 59.632 3.116 6.658 306 HB THR 46 HB THR 46 61.560 3.240 9.000 307 HG1 THR 46 HG1 THR 46 59.209 3.498 9.894 308 1HG2 THR 46 HG21 THR 46 59.789 5.268 9.373 309 2HG2 THR 46 HG22 THR 46 59.915 5.269 7.613 310 3HG2 THR 46 HG23 THR 46 61.362 5.475 8.600 311 H ILE 47 HN ILE 47 61.455 2.321 4.785 312 HA ILE 47 HA ILE 47 63.929 3.844 4.839 313 HB ILE 47 HB ILE 47 63.479 1.713 3.585 314 1HG1 ILE 47 HG12 ILE 47 64.231 4.022 1.765 315 2HG1 ILE 47 HG11 ILE 47 65.321 3.315 2.958 316 1HG2 ILE 47 HG21 ILE 47 61.525 1.648 2.447 317 2HG2 ILE 47 HG22 ILE 47 62.337 2.619 1.217 318 3HG2 ILE 47 HG23 ILE 47 61.375 3.405 2.467 319 1HD1 ILE 47 HD1 ILE 47 65.628 1.396 1.744 320 2HD1 ILE 47 HD1 ILE 47 65.206 2.456 0.400 321 3HD1 ILE 47 HD1 ILE 47 63.981 1.409 1.115 322 H THR 48 HN THR 48 64.351 5.511 3.033 323 HA THR 48 HA THR 48 61.923 7.156 2.426 324 HB THR 48 HB THR 48 63.208 9.149 3.174 325 HG1 THR 48 HG1 THR 48 65.240 8.972 3.689 326 1HG2 THR 48 HG21 THR 48 63.371 8.452 5.648 327 2HG2 THR 48 HG22 THR 48 62.817 6.869 5.104 328 3HG2 THR 48 HG23 THR 48 61.802 8.290 4.860 329 H THR 49 HN THR 49 64.011 9.243 1.521 330 HA THR 49 HA THR 49 64.101 8.622 -1.247 331 HB THR 49 HB THR 49 65.810 10.387 0.533 332 HG1 THR 49 HG1 THR 49 63.710 11.044 -1.247 333 1HG2 THR 49 HG21 THR 49 67.109 10.138 -1.416 334 2HG2 THR 49 HG22 THR 49 66.177 11.604 -1.719 335 3HG2 THR 49 HG23 THR 49 65.689 10.081 -2.462 336 H SER 50 HN SER 50 64.885 6.303 -1.128 337 HA SER 50 HA SER 50 67.872 6.241 -1.162 338 1HB SER 50 HB2 SER 50 67.203 5.513 1.042 339 2HB SER 50 HB1 SER 50 65.954 4.467 0.375 340 HG SER 50 HG SER 50 67.415 2.996 0.035 341 H THR 51 HN THR 51 68.689 4.899 -2.779 342 HA THR 51 HA THR 51 66.780 3.838 -4.735 343 HB THR 51 HB THR 51 69.529 3.154 -5.219 344 HG1 THR 51 HG1 THR 51 69.601 5.839 -5.025 345 1HG2 THR 51 HG21 THR 51 68.448 3.668 -7.161 346 2HG2 THR 51 HG22 THR 51 69.024 5.297 -6.809 347 3HG2 THR 51 HG23 THR 51 67.380 4.831 -6.374 348 H SER 52 HN SER 52 66.173 1.701 -4.856 349 HA SER 52 HA SER 52 67.896 -0.408 -3.677 350 1HB SER 52 HB2 SER 52 66.649 0.097 -1.752 351 2HB SER 52 HB1 SER 52 65.216 0.528 -2.678 352 HG SER 52 HG SER 52 66.315 -2.080 -2.393 353 H THR 53 HN THR 53 67.821 -2.161 -5.058 354 HA THR 53 HA THR 53 65.349 -2.480 -6.737 355 HB THR 53 HB THR 53 66.967 -3.218 -8.532 356 HG1 THR 53 HG1 THR 53 68.772 -3.711 -7.425 357 1HG2 THR 53 HG21 THR 53 66.438 -1.089 -9.092 358 2HG2 THR 53 HG22 THR 53 68.033 -0.680 -8.459 359 3HG2 THR 53 HG23 THR 53 66.608 -0.519 -7.433 360 H GLY 54 HN GLY 54 64.411 -4.327 -5.945 361 1HA GLY 54 HA2 GLY 54 64.178 -6.613 -5.445 362 2HA GLY 54 HA1 GLY 54 65.773 -6.861 -6.161 363 H SER 55 HN SER 55 64.100 -5.928 -3.186 364 HA SER 55 HA SER 55 66.275 -7.103 -1.589 365 1HB SER 55 HB2 SER 55 66.687 -4.917 -0.427 366 2HB SER 55 HB1 SER 55 67.155 -4.892 -2.125 367 HG SER 55 HG SER 55 64.528 -4.197 -1.493 368 H ARG 56 HN ARG 56 65.295 -8.039 0.154 369 HA ARG 56 HA ARG 56 62.498 -7.379 0.822 370 1HB ARG 56 HB2 ARG 56 64.113 -9.631 0.815 371 2HB ARG 56 HB1 ARG 56 64.014 -9.235 2.530 372 1HG ARG 56 HG2 ARG 56 61.786 -9.722 2.651 373 2HG ARG 56 HG1 ARG 56 61.457 -9.086 1.038 374 1HD ARG 56 HD2 ARG 56 61.266 -11.291 0.445 375 2HD ARG 56 HD1 ARG 56 63.041 -11.288 0.485 376 HE ARG 56 HE ARG 56 62.014 -11.633 3.145 377 1HH1 ARG 56 HH2 ARG 56 63.831 -13.156 0.875 378 2HH1 ARG 56 HH2 ARG 56 63.307 -14.769 1.232 379 1HH2 ARG 56 HH1 ARG 56 60.713 -13.757 3.298 380 2HH2 ARG 56 HH1 ARG 56 61.543 -15.109 2.600 381 H ILE 57 HN ILE 57 62.417 -5.413 1.972 382 HA ILE 57 HA ILE 57 64.441 -4.796 4.015 383 HB ILE 57 HB ILE 57 61.853 -3.329 3.483 384 1HG1 ILE 57 HG12 ILE 57 62.752 -3.715 1.279 385 2HG1 ILE 57 HG11 ILE 57 63.185 -2.066 1.730 386 1HG2 ILE 57 HG21 ILE 57 62.836 -1.665 4.661 387 2HG2 ILE 57 HG22 ILE 57 64.361 -1.848 3.792 388 3HG2 ILE 57 HG23 ILE 57 64.006 -2.879 5.178 389 1HD1 ILE 57 HD1 ILE 57 65.143 -3.141 0.780 390 2HD1 ILE 57 HD1 ILE 57 64.969 -4.512 1.876 391 3HD1 ILE 57 HD1 ILE 57 65.407 -2.926 2.511 392 H SER 58 HN SER 58 62.075 -6.980 4.117 393 HA SER 58 HA SER 58 60.205 -6.628 6.071 394 1HB SER 58 HB2 SER 58 62.012 -8.766 5.214 395 2HB SER 58 HB1 SER 58 61.474 -8.967 6.879 396 HG SER 58 HG SER 58 59.629 -8.258 4.884 397 H GLY 59 HN GLY 59 60.136 -6.311 8.335 398 1HA GLY 59 HA2 GLY 59 62.276 -6.741 10.144 399 2HA GLY 59 HA1 GLY 59 62.375 -5.067 9.608 400 HA PRO 60 HA PRO 60 58.893 -5.785 12.785 401 1HB PRO 60 HB2 PRO 60 60.227 -5.819 15.173 402 2HB PRO 60 HB1 PRO 60 59.844 -7.295 14.266 403 1HG PRO 60 HG2 PRO 60 62.412 -5.829 14.498 404 2HG PRO 60 HG1 PRO 60 62.109 -7.566 14.355 405 1HD PRO 60 HD2 PRO 60 62.945 -5.940 12.291 406 2HD PRO 60 HD1 PRO 60 62.126 -7.503 12.084 407 H GLY 61 HN GLY 61 61.576 -3.773 12.270 408 1HA GLY 61 HA2 GLY 61 60.161 -1.363 12.927 409 2HA GLY 61 HA1 GLY 61 61.337 -1.727 14.193 410 H CYS 62 HN CYS 62 61.642 -2.426 10.740 411 HA CYS 62 HA CYS 62 64.328 -1.615 10.497 412 1HB CYS 62 HB2 CYS 62 62.123 -2.473 8.866 413 2HB CYS 62 HB1 CYS 62 62.985 -1.181 8.032 414 H LYS 63 HN LYS 63 65.237 0.256 9.395 415 HA LYS 63 HA LYS 63 63.624 2.684 9.028 416 1HB LYS 63 HB2 LYS 63 63.873 2.710 11.435 417 2HB LYS 63 HB1 LYS 63 65.586 2.310 11.314 418 1HG LYS 63 HG2 LYS 63 65.735 4.520 9.909 419 2HG LYS 63 HG1 LYS 63 64.209 4.913 10.701 420 1HD LYS 63 HD2 LYS 63 65.255 4.563 12.908 421 2HD LYS 63 HD1 LYS 63 66.784 4.168 12.121 422 1HE LYS 63 HE2 LYS 63 67.210 6.365 11.538 423 2HE LYS 63 HE1 LYS 63 65.487 6.768 11.396 424 1HZ LYS 63 HZ1 LYS 63 66.646 7.648 13.442 425 2HZ LYS 63 HZ2 LYS 63 66.752 6.038 13.978 426 3HZ LYS 63 HZ3 LYS 63 65.232 6.755 13.725 427 H ILE 64 HN ILE 64 64.548 2.837 6.938 428 HA ILE 64 HA ILE 64 67.540 3.091 6.819 429 HB ILE 64 HB ILE 64 65.538 2.320 4.673 430 1HG1 ILE 64 HG12 ILE 64 67.487 0.383 5.850 431 2HG1 ILE 64 HG11 ILE 64 66.049 0.774 6.796 432 1HG2 ILE 64 HG21 ILE 64 67.562 3.264 3.729 433 2HG2 ILE 64 HG22 ILE 64 67.609 1.515 3.508 434 3HG2 ILE 64 HG23 ILE 64 68.567 2.270 4.781 435 1HD1 ILE 64 HD1 ILE 64 66.248 -1.001 4.580 436 2HD1 ILE 64 HD1 ILE 64 65.269 0.373 4.067 437 3HD1 ILE 64 HD1 ILE 64 64.802 -0.561 5.488 438 H SER 65 HN SER 65 68.315 4.644 5.145 439 HA SER 65 HA SER 65 66.351 6.729 4.339 440 1HB SER 65 HB2 SER 65 67.224 8.326 5.714 441 2HB SER 65 HB1 SER 65 67.828 6.956 6.641 442 HG SER 65 HG SER 65 69.629 8.067 6.220 443 H THR 66 HN THR 66 68.192 8.574 3.393 444 HA THR 66 HA THR 66 68.774 8.038 0.822 445 HB THR 66 HB THR 66 70.876 9.264 2.594 446 HG1 THR 66 HG1 THR 66 69.558 10.917 2.969 447 1HG2 THR 66 HG21 THR 66 70.449 10.960 0.529 448 2HG2 THR 66 HG22 THR 66 70.000 9.437 -0.238 449 3HG2 THR 66 HG23 THR 66 71.609 9.635 0.456 450 H CYS 67 HN CYS 67 69.204 5.714 0.594 451 HA CYS 67 HA CYS 67 72.125 5.104 0.818 452 1HB CYS 67 HB2 CYS 67 70.973 4.034 2.720 453 2HB CYS 67 HB1 CYS 67 69.794 3.325 1.623 454 H ILE 68 HN ILE 68 72.879 4.031 -1.040 455 HA ILE 68 HA ILE 68 70.869 3.596 -3.196 456 HB ILE 68 HB ILE 68 73.886 3.864 -3.081 457 1HG1 ILE 68 HG12 ILE 68 73.439 5.837 -4.492 458 2HG1 ILE 68 HG11 ILE 68 71.717 5.460 -4.491 459 1HG2 ILE 68 HG21 ILE 68 73.965 2.568 -4.934 460 2HG2 ILE 68 HG22 ILE 68 73.099 3.864 -5.761 461 3HG2 ILE 68 HG23 ILE 68 72.205 2.518 -5.050 462 1HD1 ILE 68 HD1 ILE 68 71.429 6.118 -2.294 463 2HD1 ILE 68 HD1 ILE 68 72.737 7.206 -2.762 464 3HD1 ILE 68 HD1 ILE 68 73.093 5.738 -1.852 465 H ILE 69 HN ILE 69 70.064 1.629 -2.174 466 HA ILE 69 HA ILE 69 71.912 -0.649 -1.908 467 HB ILE 69 HB ILE 69 68.905 -0.512 -1.543 468 1HG1 ILE 69 HG12 ILE 69 70.930 -0.020 0.654 469 2HG1 ILE 69 HG11 ILE 69 70.307 1.313 -0.315 470 1HG2 ILE 69 HG21 ILE 69 70.303 -2.716 -1.504 471 2HG2 ILE 69 HG22 ILE 69 69.158 -2.417 -0.196 472 3HG2 ILE 69 HG23 ILE 69 70.880 -2.129 0.056 473 1HD1 ILE 69 HD1 ILE 69 68.468 1.367 0.965 474 2HD1 ILE 69 HD1 ILE 69 69.052 -0.016 1.892 475 3HD1 ILE 69 HD1 ILE 69 68.076 -0.273 0.446 476 H THR 70 HN THR 70 71.591 -2.640 -3.117 477 HA THR 70 HA THR 70 69.700 -2.699 -5.370 478 HB THR 70 HB THR 70 72.695 -2.394 -5.731 479 HG1 THR 70 HG1 THR 70 71.237 -0.741 -7.193 480 1HG2 THR 70 HG21 THR 70 71.150 -4.017 -7.241 481 2HG2 THR 70 HG22 THR 70 72.506 -3.095 -7.897 482 3HG2 THR 70 HG23 THR 70 70.860 -2.481 -8.062 483 H GLY 71 HN GLY 71 69.041 -4.777 -4.638 484 1HA GLY 71 HA2 GLY 71 69.274 -7.156 -5.000 485 2HA GLY 71 HA1 GLY 71 71.023 -6.930 -5.119 486 H GLY 72 HN GLY 72 68.869 -5.675 -2.622 487 1HA GLY 72 HA2 GLY 72 68.825 -6.051 -0.309 488 2HA GLY 72 HA1 GLY 72 69.488 -7.654 -0.631 489 H VAL 73 HN VAL 73 71.158 -4.868 -1.848 490 HA VAL 73 HA VAL 73 73.231 -5.169 0.311 491 HB VAL 73 HB VAL 73 74.886 -5.077 -1.458 492 1HG1 VAL 73 HG11 VAL 73 73.074 -6.855 -2.913 493 2HG1 VAL 73 HG12 VAL 73 73.028 -7.131 -1.172 494 3HG1 VAL 73 HG13 VAL 73 74.559 -7.240 -2.042 495 1HG2 VAL 73 HG21 VAL 73 73.868 -5.024 -3.881 496 2HG2 VAL 73 HG22 VAL 73 74.076 -3.509 -3.002 497 3HG2 VAL 73 HG23 VAL 73 72.484 -4.268 -3.087 498 HA PRO 74 HA PRO 74 72.701 -0.729 0.293 499 1HB PRO 74 HB2 PRO 74 74.278 -0.246 2.473 500 2HB PRO 74 HB1 PRO 74 72.624 -0.864 2.606 501 1HG PRO 74 HG2 PRO 74 75.188 -2.256 2.975 502 2HG PRO 74 HG1 PRO 74 73.598 -2.617 3.656 503 1HD PRO 74 HD2 PRO 74 74.852 -3.932 1.496 504 2HD PRO 74 HD1 PRO 74 73.171 -4.130 2.034 505 H ALA 75 HN ALA 75 73.913 0.750 -0.882 506 HA ALA 75 HA ALA 75 76.629 0.058 -1.726 507 1HB ALA 75 HB1 ALA 75 75.090 1.097 -3.277 508 2HB ALA 75 HB2 ALA 75 76.359 2.272 -2.933 509 3HB ALA 75 HB3 ALA 75 74.782 2.425 -2.158 510 HA PRO 76 HA PRO 76 78.803 2.247 1.406 511 1HB PRO 76 HB2 PRO 76 81.061 2.925 0.013 512 2HB PRO 76 HB1 PRO 76 80.726 1.271 0.566 513 1HG PRO 76 HG2 PRO 76 80.341 2.476 -2.135 514 2HG PRO 76 HG1 PRO 76 80.956 0.875 -1.692 515 1HD PRO 76 HD2 PRO 76 78.422 1.286 -2.559 516 2HD PRO 76 HD1 PRO 76 78.852 -0.003 -1.413 517 H SER 77 HN SER 77 76.848 3.913 0.605 518 HA SER 77 HA SER 77 77.980 6.355 -0.621 519 1HB SER 77 HB2 SER 77 75.815 6.101 -1.347 520 2HB SER 77 HB1 SER 77 75.333 5.211 0.095 521 HG SER 77 HG SER 77 74.448 7.380 -0.112 522 H ALA 78 HN ALA 78 78.121 8.363 0.511 523 HA ALA 78 HA ALA 78 78.896 8.224 3.281 524 1HB ALA 78 HB1 ALA 78 79.424 10.477 2.942 525 2HB ALA 78 HB2 ALA 78 78.023 10.749 1.906 526 3HB ALA 78 HB3 ALA 78 79.425 9.879 1.284 527 H ALA 79 HN ALA 79 75.822 8.340 1.791 528 HA ALA 79 HA ALA 79 74.574 9.488 4.261 529 1HB ALA 79 HB1 ALA 79 74.287 9.981 1.482 530 2HB ALA 79 HB2 ALA 79 73.349 10.686 2.797 531 3HB ALA 79 HB3 ALA 79 72.792 9.208 2.013 532 H CYS 80 HN CYS 80 74.548 6.713 2.042 533 HA CYS 80 HA CYS 80 72.245 5.336 2.734 534 1HB CYS 80 HB2 CYS 80 73.823 4.464 1.144 535 2HB CYS 80 HB1 CYS 80 75.094 4.391 2.362 536 H LYS 81 HN LYS 81 71.460 4.308 4.583 537 HA LYS 81 HA LYS 81 73.207 4.461 7.010 538 1HB LYS 81 HB2 LYS 81 71.224 4.854 8.222 539 2HB LYS 81 HB1 LYS 81 70.958 5.720 6.710 540 1HG LYS 81 HG2 LYS 81 68.962 4.547 6.888 541 2HG LYS 81 HG1 LYS 81 69.921 3.413 5.936 542 1HD LYS 81 HD2 LYS 81 70.592 2.773 8.555 543 2HD LYS 81 HD1 LYS 81 68.871 3.135 8.653 544 1HE LYS 81 HE2 LYS 81 68.698 1.627 6.504 545 2HE LYS 81 HE1 LYS 81 70.253 0.991 7.058 546 1HZ LYS 81 HZ1 LYS 81 67.680 0.512 8.123 547 2HZ LYS 81 HZ2 LYS 81 68.647 1.252 9.307 548 3HZ LYS 81 HZ3 LYS 81 69.157 -0.189 8.566 549 H ILE 82 HN ILE 82 72.842 2.743 8.633 550 HA ILE 82 HA ILE 82 71.679 0.183 7.809 551 HB ILE 82 HB ILE 82 74.624 0.790 7.728 552 1HG1 ILE 82 HG12 ILE 82 73.960 -1.235 5.942 553 2HG1 ILE 82 HG11 ILE 82 72.519 -0.219 5.964 554 1HG2 ILE 82 HG21 ILE 82 74.761 -1.867 7.687 555 2HG2 ILE 82 HG22 ILE 82 73.335 -1.729 8.715 556 3HG2 ILE 82 HG23 ILE 82 74.854 -0.982 9.210 557 1HD1 ILE 82 HD1 ILE 82 74.196 1.762 5.729 558 2HD1 ILE 82 HD1 ILE 82 73.840 0.787 4.305 559 3HD1 ILE 82 HD1 ILE 82 75.336 0.524 5.201 560 H SER 83 HN SER 83 70.604 1.011 9.872 561 HA SER 83 HA SER 83 72.282 0.451 12.285 562 1HB SER 83 HB2 SER 83 70.065 2.320 11.593 563 2HB SER 83 HB1 SER 83 70.117 1.721 13.249 564 HG SER 83 HG SER 83 72.401 2.754 11.938 565 H GLY 84 HN GLY 84 68.764 0.545 12.173 566 1HA GLY 84 HA2 GLY 84 68.752 -2.280 13.124 567 2HA GLY 84 HA1 GLY 84 67.482 -1.103 13.456 568 H CYS 85 HN CYS 85 69.067 -2.626 10.620 569 HA CYS 85 HA CYS 85 66.462 -3.461 9.592 570 1HB CYS 85 HB2 CYS 85 66.908 -0.915 9.131 571 2HB CYS 85 HB1 CYS 85 68.014 -1.511 7.899 572 H THR 86 HN THR 86 66.959 -4.148 7.072 573 HA THR 86 HA THR 86 69.602 -5.042 6.402 574 HB THR 86 HB THR 86 69.353 -6.414 8.392 575 HG1 THR 86 HG1 THR 86 68.919 -7.815 5.975 576 1HG2 THR 86 HG21 THR 86 66.849 -6.265 8.447 577 2HG2 THR 86 HG22 THR 86 67.461 -7.894 8.731 578 3HG2 THR 86 HG23 THR 86 66.794 -7.466 7.156 579 H PHE 87 HN PHE 87 69.558 -6.432 4.471 580 HA PHE 87 HA PHE 87 66.859 -6.515 3.151 581 1HB PHE 87 HB2 PHE 87 69.391 -6.318 1.567 582 2HB PHE 87 HB1 PHE 87 67.798 -5.663 1.206 583 HD1 PHE 87 HD1 PHE 87 70.791 -4.446 1.388 584 HD2 PHE 87 HD2 PHE 87 67.229 -4.211 3.776 585 HE1 PHE 87 HE1 PHE 87 71.516 -2.247 2.253 586 HE2 PHE 87 HE2 PHE 87 67.960 -2.007 4.648 587 HZ PHE 87 HZ PHE 87 70.106 -1.022 3.885 588 H SER 88 HN SER 88 66.526 -8.310 1.703 589 HA SER 88 HA SER 88 68.529 -10.527 1.898 590 1HB SER 88 HB2 SER 88 65.540 -10.914 2.097 591 2HB SER 88 HB1 SER 88 66.816 -12.035 2.562 592 HG SER 88 HG SER 88 65.880 -10.946 4.359 593 H ALA 89 HN ALA 89 67.883 -8.594 -0.251 594 HA ALA 89 HA ALA 89 67.193 -8.540 -2.526 595 1HB ALA 89 HB1 ALA 89 68.173 -10.720 -3.606 596 2HB ALA 89 HB2 ALA 89 68.727 -11.072 -1.969 597 3HB ALA 89 HB3 ALA 89 69.269 -9.607 -2.788 598 H ASN 90 HN ASN 90 64.835 -8.777 -1.690 599 HA ASN 90 HA ASN 90 63.526 -11.335 -1.757 600 1HB ASN 90 HB2 ASN 90 61.747 -10.056 -1.092 601 2HB ASN 90 HB1 ASN 90 62.953 -8.792 -0.933 602 1HD2 ASN 90 HD2 ASN 90 59.960 -9.280 -2.155 603 2HD2 ASN 90 HD2 ASN 90 59.970 -8.180 -3.449 Start of MODEL 9 1 1H ASP 1 HT1 ASP 1 45.098 6.762 6.200 2 2H ASP 1 HT2 ASP 1 46.712 6.353 6.529 3 3H ASP 1 HT3 ASP 1 45.790 5.395 5.474 4 HA ASP 1 HA ASP 1 46.350 8.250 4.897 5 1HB ASP 1 HB2 ASP 1 48.333 6.551 5.363 6 2HB ASP 1 HB1 ASP 1 47.927 5.968 3.748 7 H GLY 2 HN GLY 2 46.521 8.266 2.336 8 1HA GLY 2 HA2 GLY 2 43.995 7.598 1.257 9 2HA GLY 2 HA1 GLY 2 45.421 7.967 0.289 10 H SER 3 HN SER 3 44.545 6.295 -1.195 11 HA SER 3 HA SER 3 45.239 3.516 -0.283 12 1HB SER 3 HB2 SER 3 42.818 3.921 -0.557 13 2HB SER 3 HB1 SER 3 43.094 4.490 -2.201 14 HG SER 3 HG SER 3 43.429 2.487 -2.846 15 H CYS 4 HN CYS 4 47.243 5.097 -1.448 16 HA CYS 4 HA CYS 4 47.514 5.153 -4.246 17 1HB CYS 4 HB2 CYS 4 49.148 5.294 -1.859 18 2HB CYS 4 HB1 CYS 4 50.014 4.433 -3.133 19 H THR 5 HN THR 5 49.132 3.676 -5.475 20 HA THR 5 HA THR 5 48.796 0.795 -4.739 21 HB THR 5 HB THR 5 47.949 2.306 -7.196 22 HG1 THR 5 HG1 THR 5 46.370 1.655 -5.792 23 1HG2 THR 5 HG21 THR 5 48.900 -0.575 -7.167 24 2HG2 THR 5 HG22 THR 5 49.497 0.733 -8.185 25 3HG2 THR 5 HG23 THR 5 47.874 0.095 -8.434 26 H ASN 6 HN ASN 6 50.924 3.225 -5.278 27 HA ASN 6 HA ASN 6 53.171 3.308 -6.006 28 1HB ASN 6 HB2 ASN 6 53.671 1.793 -4.304 29 2HB ASN 6 HB1 ASN 6 52.575 0.571 -4.943 30 1HD2 ASN 6 HD2 ASN 6 55.370 2.312 -6.425 31 2HD2 ASN 6 HD2 ASN 6 56.193 0.900 -6.882 32 H THR 7 HN THR 7 51.995 3.655 -8.220 33 HA THR 7 HA THR 7 52.062 3.311 -10.550 34 HB THR 7 HB THR 7 54.024 2.316 -11.337 35 HG1 THR 7 HG1 THR 7 54.127 0.281 -10.897 36 1HG2 THR 7 HG21 THR 7 54.305 3.921 -9.252 37 2HG2 THR 7 HG22 THR 7 55.702 3.100 -9.945 38 3HG2 THR 7 HG23 THR 7 54.937 2.461 -8.491 39 H ASN 8 HN ASN 8 52.344 0.088 -8.968 40 HA ASN 8 HA ASN 8 49.714 -0.778 -9.653 41 1HB ASN 8 HB2 ASN 8 51.556 -0.581 -11.816 42 2HB ASN 8 HB1 ASN 8 51.299 -2.296 -11.503 43 1HD2 ASN 8 HD2 ASN 8 50.276 -0.561 -13.764 44 2HD2 ASN 8 HD2 ASN 8 48.591 -0.772 -13.748 45 H SER 9 HN SER 9 50.799 -1.297 -7.348 46 HA SER 9 HA SER 9 51.770 -4.130 -7.498 47 1HB SER 9 HB2 SER 9 52.672 -1.945 -5.594 48 2HB SER 9 HB1 SER 9 53.317 -3.582 -5.681 49 HG SER 9 HG SER 9 53.987 -3.109 -7.816 50 H GLN 10 HN GLN 10 51.773 -3.266 -4.331 51 HA GLN 10 HA GLN 10 48.861 -3.850 -3.956 52 1HB GLN 10 HB2 GLN 10 49.430 -5.547 -2.386 53 2HB GLN 10 HB1 GLN 10 50.571 -5.787 -3.711 54 1HG GLN 10 HG2 GLN 10 52.263 -4.467 -2.486 55 2HG GLN 10 HG1 GLN 10 51.127 -4.240 -1.160 56 1HE2 GLN 10 HE21 GLN 10 50.257 -7.232 -1.974 57 2HE2 GLN 10 HE22 GLN 10 51.385 -8.158 -1.108 58 H LEU 11 HN LEU 11 51.868 -2.618 -2.491 59 HA LEU 11 HA LEU 11 52.189 -1.107 -0.688 60 1HB LEU 11 HB2 LEU 11 51.408 0.241 -2.664 61 2HB LEU 11 HB1 LEU 11 49.765 0.127 -2.033 62 HG LEU 11 HG LEU 11 50.364 1.308 -0.024 63 1HD1 LEU 11 HD1 LEU 11 52.487 0.466 0.559 64 2HD1 LEU 11 HD1 LEU 11 52.823 2.143 0.127 65 3HD1 LEU 11 HD1 LEU 11 53.171 0.849 -1.022 66 1HD2 LEU 11 HD2 LEU 11 51.531 3.399 -1.090 67 2HD2 LEU 11 HD2 LEU 11 49.938 2.920 -1.675 68 3HD2 LEU 11 HD2 LEU 11 51.380 2.495 -2.597 69 H SER 12 HN SER 12 51.641 -2.303 1.163 70 HA SER 12 HA SER 12 49.284 -3.272 2.149 71 1HB SER 12 HB2 SER 12 50.611 -3.449 3.970 72 2HB SER 12 HB1 SER 12 51.794 -2.449 3.134 73 HG SER 12 HG SER 12 50.919 -1.719 5.272 74 H ALA 13 HN ALA 13 47.467 -2.439 3.292 75 HA ALA 13 HA ALA 13 46.399 0.054 2.407 76 1HB ALA 13 HB1 ALA 13 45.761 -1.730 4.780 77 2HB ALA 13 HB2 ALA 13 45.056 -1.841 3.168 78 3HB ALA 13 HB3 ALA 13 44.705 -0.447 4.189 79 H ASN 14 HN ASN 14 48.459 -0.762 5.123 80 HA ASN 14 HA ASN 14 48.045 1.948 6.305 81 1HB ASN 14 HB2 ASN 14 48.936 0.960 8.303 82 2HB ASN 14 HB1 ASN 14 47.841 -0.235 7.608 83 1HD2 ASN 14 HD2 ASN 14 51.333 0.667 7.573 84 2HD2 ASN 14 HD2 ASN 14 51.890 -0.928 7.410 85 H SER 15 HN SER 15 50.004 0.695 3.987 86 HA SER 15 HA SER 15 52.644 1.468 4.886 87 1HB SER 15 HB2 SER 15 52.277 -0.083 3.038 88 2HB SER 15 HB1 SER 15 51.368 1.135 2.150 89 HG SER 15 HG SER 15 54.111 1.228 2.887 90 H LYS 16 HN LYS 16 53.370 3.159 2.622 91 HA LYS 16 HA LYS 16 51.775 5.637 3.118 92 1HB LYS 16 HB2 LYS 16 54.248 4.973 4.292 93 2HB LYS 16 HB1 LYS 16 54.629 6.148 3.032 94 1HG LYS 16 HG2 LYS 16 53.995 7.726 4.525 95 2HG LYS 16 HG1 LYS 16 52.342 7.202 4.198 96 1HD LYS 16 HD2 LYS 16 53.696 5.442 6.099 97 2HD LYS 16 HD1 LYS 16 53.626 7.110 6.669 98 1HE LYS 16 HE2 LYS 16 51.098 6.907 5.788 99 2HE LYS 16 HE1 LYS 16 51.393 5.196 6.162 100 1HZ LYS 16 HZ1 LYS 16 50.668 6.286 8.152 101 2HZ LYS 16 HZ2 LYS 16 51.827 7.515 7.969 102 3HZ LYS 16 HZ3 LYS 16 52.316 5.926 8.319 103 H CYS 17 HN CYS 17 51.915 7.163 1.383 104 HA CYS 17 HA CYS 17 53.458 6.299 -1.034 105 1HB CYS 17 HB2 CYS 17 51.230 5.499 -1.383 106 2HB CYS 17 HB1 CYS 17 50.521 6.977 -0.731 107 H GLU 18 HN GLU 18 51.086 8.875 -1.037 108 HA GLU 18 HA GLU 18 51.419 11.158 -1.613 109 1HB GLU 18 HB2 GLU 18 53.082 10.641 0.874 110 2HB GLU 18 HB1 GLU 18 52.604 12.250 0.326 111 1HG GLU 18 HG2 GLU 18 50.191 11.106 0.264 112 2HG GLU 18 HG1 GLU 18 50.927 10.063 1.482 113 H LYS 19 HN LYS 19 54.302 12.104 -0.440 114 HA LYS 19 HA LYS 19 55.529 12.420 -3.018 115 1HB LYS 19 HB2 LYS 19 55.864 13.930 -1.107 116 2HB LYS 19 HB1 LYS 19 56.620 12.624 -0.193 117 1HG LYS 19 HG2 LYS 19 58.589 13.297 -1.063 118 2HG LYS 19 HG1 LYS 19 58.021 12.670 -2.610 119 1HD LYS 19 HD2 LYS 19 57.127 14.821 -3.238 120 2HD LYS 19 HD1 LYS 19 57.416 15.471 -1.624 121 1HE LYS 19 HE2 LYS 19 59.765 15.514 -1.930 122 2HE LYS 19 HE1 LYS 19 59.689 14.394 -3.305 123 1HZ LYS 19 HZ1 LYS 19 59.924 16.792 -3.927 124 2HZ LYS 19 HZ2 LYS 19 58.370 17.052 -3.290 125 3HZ LYS 19 HZ3 LYS 19 58.587 16.011 -4.616 126 H SER 20 HN SER 20 56.647 10.895 -4.154 127 HA SER 20 HA SER 20 58.688 9.224 -3.076 128 1HB SER 20 HB2 SER 20 57.313 7.054 -3.235 129 2HB SER 20 HB1 SER 20 56.983 8.089 -1.851 130 HG SER 20 HG SER 20 55.528 7.902 -4.284 131 H THR 21 HN THR 21 59.205 7.378 -4.702 132 HA THR 21 HA THR 21 58.073 7.764 -7.409 133 HB THR 21 HB THR 21 59.727 9.516 -7.345 134 HG1 THR 21 HG1 THR 21 61.379 8.549 -8.748 135 1HG2 THR 21 HG21 THR 21 61.932 9.259 -6.477 136 2HG2 THR 21 HG22 THR 21 61.776 7.503 -6.411 137 3HG2 THR 21 HG23 THR 21 60.866 8.512 -5.286 138 H LEU 22 HN LEU 22 57.533 5.467 -6.693 139 HA LEU 22 HA LEU 22 59.890 3.647 -7.023 140 1HB LEU 22 HB2 LEU 22 58.056 2.049 -5.913 141 2HB LEU 22 HB1 LEU 22 59.055 3.114 -4.933 142 HG LEU 22 HG LEU 22 56.400 4.054 -6.015 143 1HD1 LEU 22 HD1 LEU 22 56.470 3.094 -3.222 144 2HD1 LEU 22 HD1 LEU 22 56.583 1.815 -4.432 145 3HD1 LEU 22 HD1 LEU 22 55.205 2.918 -4.440 146 1HD2 LEU 22 HD2 LEU 22 58.482 5.233 -4.553 147 2HD2 LEU 22 HD2 LEU 22 57.237 4.884 -3.352 148 3HD2 LEU 22 HD2 LEU 22 56.852 5.876 -4.758 149 H THR 23 HN THR 23 58.698 1.306 -7.646 150 HA THR 23 HA THR 23 56.677 1.567 -9.740 151 HB THR 23 HB THR 23 59.627 1.271 -10.324 152 HG1 THR 23 HG1 THR 23 57.739 2.759 -11.770 153 1HG2 THR 23 HG21 THR 23 58.968 0.674 -12.650 154 2HG2 THR 23 HG22 THR 23 57.293 0.532 -12.113 155 3HG2 THR 23 HG23 THR 23 58.520 -0.569 -11.483 156 H ASN 24 HN ASN 24 55.587 -0.348 -9.633 157 HA ASN 24 HA ASN 24 55.145 -2.639 -9.265 158 1HB ASN 24 HB2 ASN 24 58.032 -2.590 -10.175 159 2HB ASN 24 HB1 ASN 24 57.163 -4.095 -9.893 160 1HD2 ASN 24 HD2 ASN 24 56.555 -4.894 -11.904 161 2HD2 ASN 24 HD2 ASN 24 55.865 -3.973 -13.150 162 H CYS 25 HN CYS 25 56.058 -0.976 -6.943 163 HA CYS 25 HA CYS 25 57.949 -2.444 -5.364 164 1HB CYS 25 HB2 CYS 25 56.724 -0.051 -5.143 165 2HB CYS 25 HB1 CYS 25 55.704 -0.971 -4.045 166 H TYR 26 HN TYR 26 56.011 -2.565 -3.020 167 HA TYR 26 HA TYR 26 53.923 -4.409 -3.315 168 1HB TYR 26 HB2 TYR 26 56.613 -5.484 -3.808 169 2HB TYR 26 HB1 TYR 26 55.765 -6.363 -2.539 170 HD1 TYR 26 HD1 TYR 26 52.959 -6.188 -3.387 171 HD2 TYR 26 HD2 TYR 26 56.498 -6.836 -5.729 172 HE1 TYR 26 HE1 TYR 26 51.609 -7.384 -5.087 173 HE2 TYR 26 HE2 TYR 26 55.149 -8.030 -7.433 174 HH TYR 26 HH TYR 26 52.837 -8.169 -8.185 175 H VAL 27 HN VAL 27 54.641 -2.322 -1.639 176 HA VAL 27 HA VAL 27 55.869 -3.069 0.828 177 HB VAL 27 HB VAL 27 53.776 -0.939 0.344 178 1HG1 VAL 27 HG11 VAL 27 54.320 -0.702 2.560 179 2HG1 VAL 27 HG12 VAL 27 55.705 0.159 1.889 180 3HG1 VAL 27 HG13 VAL 27 55.865 -1.529 2.371 181 1HG2 VAL 27 HG21 VAL 27 56.657 -1.153 -0.539 182 2HG2 VAL 27 HG22 VAL 27 55.944 0.422 -0.202 183 3HG2 VAL 27 HG23 VAL 27 55.266 -0.598 -1.472 184 H ASP 28 HN ASP 28 55.031 -3.881 2.705 185 HA ASP 28 HA ASP 28 52.114 -4.603 2.766 186 1HB ASP 28 HB2 ASP 28 54.150 -6.330 2.503 187 2HB ASP 28 HB1 ASP 28 54.199 -6.148 4.257 188 H LYS 29 HN LYS 29 54.729 -3.000 4.278 189 HA LYS 29 HA LYS 29 53.156 -1.834 6.366 190 1HB LYS 29 HB2 LYS 29 54.453 -4.452 6.843 191 2HB LYS 29 HB1 LYS 29 54.807 -3.232 8.064 192 1HG LYS 29 HG2 LYS 29 52.703 -3.265 8.885 193 2HG LYS 29 HG1 LYS 29 51.978 -3.306 7.279 194 1HD LYS 29 HD2 LYS 29 51.450 -5.454 7.782 195 2HD LYS 29 HD1 LYS 29 53.146 -5.791 7.440 196 1HE LYS 29 HE2 LYS 29 52.604 -4.786 10.177 197 2HE LYS 29 HE1 LYS 29 51.973 -6.404 9.818 198 1HZ LYS 29 HZ1 LYS 29 54.230 -6.651 10.497 199 2HZ LYS 29 HZ2 LYS 29 54.755 -5.442 9.431 200 3HZ LYS 29 HZ3 LYS 29 54.176 -6.919 8.824 201 H SER 30 HN SER 30 54.646 -0.353 4.871 202 HA SER 30 HA SER 30 57.107 0.211 6.452 203 1HB SER 30 HB2 SER 30 56.876 -0.524 3.543 204 2HB SER 30 HB1 SER 30 58.239 0.424 4.128 205 HG SER 30 HG SER 30 57.445 -2.196 4.814 206 H GLU 31 HN GLU 31 57.824 2.361 6.267 207 HA GLU 31 HA GLU 31 55.848 4.258 5.048 208 1HB GLU 31 HB2 GLU 31 56.497 4.136 7.575 209 2HB GLU 31 HB1 GLU 31 58.004 4.897 7.066 210 1HG GLU 31 HG2 GLU 31 56.335 6.547 5.809 211 2HG GLU 31 HG1 GLU 31 55.230 6.007 7.074 212 H VAL 32 HN VAL 32 56.677 4.539 2.943 213 HA VAL 32 HA VAL 32 59.595 5.038 2.625 214 HB VAL 32 HB VAL 32 57.397 4.733 0.557 215 1HG1 VAL 32 HG11 VAL 32 59.562 3.798 -0.653 216 2HG1 VAL 32 HG12 VAL 32 60.391 4.824 0.519 217 3HG1 VAL 32 HG13 VAL 32 59.235 5.532 -0.612 218 1HG2 VAL 32 HG21 VAL 32 57.452 2.756 2.019 219 2HG2 VAL 32 HG22 VAL 32 59.200 2.636 1.815 220 3HG2 VAL 32 HG23 VAL 32 58.132 2.356 0.440 221 H TYR 33 HN TYR 33 60.055 6.819 0.868 222 HA TYR 33 HA TYR 33 58.150 9.096 1.039 223 1HB TYR 33 HB2 TYR 33 60.903 8.908 2.243 224 2HB TYR 33 HB1 TYR 33 60.241 10.473 1.772 225 HD1 TYR 33 HD1 TYR 33 59.891 7.604 4.076 226 HD2 TYR 33 HD2 TYR 33 58.297 11.417 2.890 227 HE1 TYR 33 HE1 TYR 33 58.543 7.688 6.149 228 HE2 TYR 33 HE2 TYR 33 56.951 11.498 4.972 229 HH TYR 33 HH TYR 33 57.455 10.007 7.550 230 H GLY 34 HN GLY 34 61.133 7.722 -0.343 231 1HA GLY 34 HA2 GLY 34 60.538 8.949 -2.921 232 2HA GLY 34 HA1 GLY 34 61.941 9.674 -2.132 233 H THR 35 HN THR 35 61.186 6.301 -1.642 234 HA THR 35 HA THR 35 63.807 5.521 -2.636 235 HB THR 35 HB THR 35 61.494 4.394 -1.184 236 HG1 THR 35 HG1 THR 35 63.604 3.253 -0.390 237 1HG2 THR 35 HG21 THR 35 62.007 2.068 -1.599 238 2HG2 THR 35 HG22 THR 35 63.345 2.505 -2.662 239 3HG2 THR 35 HG23 THR 35 61.685 2.836 -3.154 240 H THR 36 HN THR 36 64.267 4.349 -4.527 241 HA THR 36 HA THR 36 62.264 4.543 -6.700 242 HB THR 36 HB THR 36 64.847 3.315 -7.301 243 HG1 THR 36 HG1 THR 36 65.862 5.474 -6.812 244 1HG2 THR 36 HG21 THR 36 63.656 5.989 -8.082 245 2HG2 THR 36 HG22 THR 36 63.321 4.465 -8.909 246 3HG2 THR 36 HG23 THR 36 64.955 5.131 -8.914 247 H CYS 37 HN CYS 37 61.187 2.685 -5.123 248 HA CYS 37 HA CYS 37 62.046 0.040 -5.036 249 1HB CYS 37 HB2 CYS 37 59.825 1.339 -4.360 250 2HB CYS 37 HB1 CYS 37 59.237 0.654 -5.872 251 H THR 38 HN THR 38 63.210 -0.676 -6.892 252 HA THR 38 HA THR 38 61.995 -0.439 -9.568 253 HB THR 38 HB THR 38 64.496 -0.303 -8.799 254 HG1 THR 38 HG1 THR 38 64.615 -0.314 -10.876 255 1HG2 THR 38 HG21 THR 38 65.661 -2.259 -8.431 256 2HG2 THR 38 HG22 THR 38 64.571 -3.217 -9.433 257 3HG2 THR 38 HG23 THR 38 64.090 -2.756 -7.802 258 H GLY 39 HN GLY 39 60.581 -2.068 -7.501 259 1HA GLY 39 HA2 GLY 39 59.176 -3.980 -8.213 260 2HA GLY 39 HA1 GLY 39 60.614 -4.673 -8.963 261 H SER 40 HN SER 40 60.781 -3.107 -5.848 262 HA SER 40 HA SER 40 61.633 -5.675 -4.629 263 1HB SER 40 HB2 SER 40 63.074 -3.784 -4.293 264 2HB SER 40 HB1 SER 40 61.719 -2.751 -3.840 265 HG SER 40 HG SER 40 63.192 -3.940 -2.177 266 H ARG 41 HN ARG 41 60.951 -5.163 -1.979 267 HA ARG 41 HA ARG 41 58.112 -4.544 -1.694 268 1HB ARG 41 HB2 ARG 41 57.656 -6.631 -2.622 269 2HB ARG 41 HB1 ARG 41 59.173 -7.326 -2.051 270 1HG ARG 41 HG2 ARG 41 58.334 -7.729 0.093 271 2HG ARG 41 HG1 ARG 41 57.078 -6.500 -0.061 272 1HD ARG 41 HD2 ARG 41 55.778 -8.401 -0.383 273 2HD ARG 41 HD1 ARG 41 56.295 -8.130 -2.058 274 HE ARG 41 HE ARG 41 58.369 -9.615 -1.065 275 1HH1 ARG 41 HH1 ARG 41 56.124 -10.494 0.904 276 2HH1 ARG 41 HH1 ARG 41 55.630 -11.976 0.156 277 1HH2 ARG 41 HH2 ARG 41 57.220 -11.302 -2.851 278 2HH2 ARG 41 HH2 ARG 41 56.243 -12.430 -1.971 279 H PHE 42 HN PHE 42 57.612 -4.272 0.530 280 HA PHE 42 HA PHE 42 59.862 -4.854 2.432 281 1HB PHE 42 HB2 PHE 42 57.783 -2.687 2.724 282 2HB PHE 42 HB1 PHE 42 59.365 -2.788 3.495 283 HD1 PHE 42 HD1 PHE 42 57.991 -0.594 1.611 284 HD2 PHE 42 HD2 PHE 42 60.965 -3.643 1.052 285 HE1 PHE 42 HE1 PHE 42 58.976 0.712 -0.251 286 HE2 PHE 42 HE2 PHE 42 61.952 -2.337 -0.813 287 HZ PHE 42 HZ PHE 42 60.956 -0.157 -1.456 288 H ASP 43 HN ASP 43 58.689 -4.517 4.815 289 HA ASP 43 HA ASP 43 56.020 -5.591 5.083 290 1HB ASP 43 HB2 ASP 43 57.951 -7.420 4.310 291 2HB ASP 43 HB1 ASP 43 57.892 -7.634 6.058 292 H GLY 44 HN GLY 44 57.032 -3.436 6.358 293 1HA GLY 44 HA2 GLY 44 56.599 -3.017 8.780 294 2HA GLY 44 HA1 GLY 44 57.560 -4.459 9.112 295 H VAL 45 HN VAL 45 58.109 -1.512 7.101 296 HA VAL 45 HA VAL 45 60.642 -1.131 8.660 297 HB VAL 45 HB VAL 45 61.908 -1.038 6.694 298 1HG1 VAL 45 HG11 VAL 45 61.116 -3.319 6.951 299 2HG1 VAL 45 HG12 VAL 45 61.173 -2.925 5.234 300 3HG1 VAL 45 HG13 VAL 45 59.630 -2.932 6.085 301 1HG2 VAL 45 HG21 VAL 45 61.111 0.409 5.155 302 2HG2 VAL 45 HG22 VAL 45 59.435 0.055 5.562 303 3HG2 VAL 45 HG23 VAL 45 60.311 -0.999 4.450 304 H THR 46 HN THR 46 61.616 1.090 7.514 305 HA THR 46 HA THR 46 59.502 3.148 7.258 306 HB THR 46 HB THR 46 61.655 3.217 9.393 307 HG1 THR 46 HG1 THR 46 60.307 1.967 10.403 308 1HG2 THR 46 HG21 THR 46 60.603 5.358 8.304 309 2HG2 THR 46 HG22 THR 46 60.729 5.261 10.063 310 3HG2 THR 46 HG23 THR 46 59.188 4.932 9.270 311 H ILE 47 HN ILE 47 61.009 2.553 5.160 312 HA ILE 47 HA ILE 47 63.610 3.889 5.164 313 HB ILE 47 HB ILE 47 62.907 1.824 3.867 314 1HG1 ILE 47 HG12 ILE 47 63.778 3.990 1.965 315 2HG1 ILE 47 HG11 ILE 47 64.831 3.487 3.288 316 1HG2 ILE 47 HG21 ILE 47 61.718 2.356 1.683 317 2HG2 ILE 47 HG22 ILE 47 61.325 3.930 2.375 318 3HG2 ILE 47 HG23 ILE 47 60.715 2.457 3.130 319 1HD1 ILE 47 HD1 ILE 47 63.827 1.854 0.965 320 2HD1 ILE 47 HD1 ILE 47 64.378 1.074 2.446 321 3HD1 ILE 47 HD1 ILE 47 65.488 2.081 1.515 322 H THR 48 HN THR 48 63.857 5.472 3.089 323 HA THR 48 HA THR 48 61.522 7.328 3.011 324 HB THR 48 HB THR 48 63.619 9.055 3.205 325 HG1 THR 48 HG1 THR 48 65.274 8.052 3.955 326 1HG2 THR 48 HG21 THR 48 62.232 9.649 4.877 327 2HG2 THR 48 HG22 THR 48 62.959 8.389 5.873 328 3HG2 THR 48 HG23 THR 48 61.528 8.031 4.906 329 H THR 49 HN THR 49 64.746 8.106 1.852 330 HA THR 49 HA THR 49 63.710 7.857 -0.952 331 HB THR 49 HB THR 49 65.605 9.756 0.440 332 HG1 THR 49 HG1 THR 49 63.200 9.975 0.246 333 1HG2 THR 49 HG21 THR 49 65.365 9.045 -2.450 334 2HG2 THR 49 HG22 THR 49 66.795 9.505 -1.523 335 3HG2 THR 49 HG23 THR 49 65.631 10.736 -2.023 336 H SER 50 HN SER 50 64.536 5.514 -0.687 337 HA SER 50 HA SER 50 67.513 5.384 -1.041 338 1HB SER 50 HB2 SER 50 66.014 2.920 -0.467 339 2HB SER 50 HB1 SER 50 67.441 3.572 0.328 340 HG SER 50 HG SER 50 66.163 4.852 1.567 341 H THR 51 HN THR 51 68.337 4.026 -2.689 342 HA THR 51 HA THR 51 66.493 3.612 -4.997 343 HB THR 51 HB THR 51 69.467 3.254 -4.982 344 HG1 THR 51 HG1 THR 51 69.681 5.487 -5.151 345 1HG2 THR 51 HG21 THR 51 67.804 4.720 -7.009 346 2HG2 THR 51 HG22 THR 51 67.817 2.956 -6.989 347 3HG2 THR 51 HG23 THR 51 69.319 3.845 -7.239 348 H SER 52 HN SER 52 66.712 1.730 -2.621 349 HA SER 52 HA SER 52 68.131 -0.602 -2.929 350 1HB SER 52 HB2 SER 52 65.774 -1.644 -2.264 351 2HB SER 52 HB1 SER 52 66.643 -0.588 -1.155 352 HG SER 52 HG SER 52 64.880 0.479 -3.073 353 H THR 53 HN THR 53 68.251 -2.278 -4.383 354 HA THR 53 HA THR 53 66.244 -2.314 -6.620 355 HB THR 53 HB THR 53 69.233 -2.851 -6.689 356 HG1 THR 53 HG1 THR 53 69.353 -0.790 -6.963 357 1HG2 THR 53 HG21 THR 53 68.177 -2.368 -9.258 358 2HG2 THR 53 HG22 THR 53 67.071 -3.505 -8.489 359 3HG2 THR 53 HG23 THR 53 68.785 -3.899 -8.628 360 H GLY 54 HN GLY 54 65.094 -4.015 -5.446 361 1HA GLY 54 HA2 GLY 54 64.598 -6.311 -5.226 362 2HA GLY 54 HA1 GLY 54 66.149 -6.676 -5.985 363 H SER 55 HN SER 55 64.913 -5.263 -2.940 364 HA SER 55 HA SER 55 66.749 -7.041 -1.426 365 1HB SER 55 HB2 SER 55 67.250 -4.810 -0.095 366 2HB SER 55 HB1 SER 55 68.148 -5.198 -1.560 367 HG SER 55 HG SER 55 67.080 -3.680 -2.628 368 H ARG 56 HN ARG 56 65.542 -7.957 0.145 369 HA ARG 56 HA ARG 56 62.881 -6.997 0.822 370 1HB ARG 56 HB2 ARG 56 64.273 -9.369 0.813 371 2HB ARG 56 HB1 ARG 56 64.211 -8.995 2.536 372 1HG ARG 56 HG2 ARG 56 61.668 -8.447 1.949 373 2HG ARG 56 HG1 ARG 56 61.982 -9.593 0.643 374 1HD ARG 56 HD2 ARG 56 63.045 -11.052 2.577 375 2HD ARG 56 HD1 ARG 56 61.995 -10.062 3.611 376 HE ARG 56 HE ARG 56 60.990 -11.660 1.283 377 1HH1 ARG 56 HH2 ARG 56 59.755 -9.257 3.064 378 2HH1 ARG 56 HH2 ARG 56 58.534 -10.174 3.883 379 1HH2 ARG 56 HH1 ARG 56 59.807 -13.246 2.900 380 2HH2 ARG 56 HH1 ARG 56 58.570 -12.432 3.796 381 H ILE 57 HN ILE 57 62.930 -5.023 1.981 382 HA ILE 57 HA ILE 57 64.849 -4.634 4.175 383 HB ILE 57 HB ILE 57 62.497 -2.990 3.173 384 1HG1 ILE 57 HG12 ILE 57 64.919 -1.768 2.489 385 2HG1 ILE 57 HG11 ILE 57 65.188 -3.477 2.150 386 1HG2 ILE 57 HG21 ILE 57 64.715 -2.506 5.155 387 2HG2 ILE 57 HG22 ILE 57 62.992 -2.180 5.332 388 3HG2 ILE 57 HG23 ILE 57 63.981 -1.159 4.289 389 1HD1 ILE 57 HD1 ILE 57 64.251 -2.589 0.150 390 2HD1 ILE 57 HD1 ILE 57 63.027 -1.682 1.038 391 3HD1 ILE 57 HD1 ILE 57 62.925 -3.440 0.944 392 H SER 58 HN SER 58 62.407 -6.650 4.096 393 HA SER 58 HA SER 58 60.416 -6.035 5.936 394 1HB SER 58 HB2 SER 58 60.428 -8.469 6.384 395 2HB SER 58 HB1 SER 58 60.667 -8.136 4.672 396 HG SER 58 HG SER 58 62.841 -8.418 6.451 397 H GLY 59 HN GLY 59 60.230 -6.567 8.273 398 1HA GLY 59 HA2 GLY 59 62.093 -7.304 10.116 399 2HA GLY 59 HA1 GLY 59 62.602 -5.654 9.751 400 HA PRO 60 HA PRO 60 58.856 -5.791 12.655 401 1HB PRO 60 HB2 PRO 60 60.067 -5.867 15.108 402 2HB PRO 60 HB1 PRO 60 59.537 -7.325 14.247 403 1HG PRO 60 HG2 PRO 60 62.259 -6.184 14.534 404 2HG PRO 60 HG1 PRO 60 61.743 -7.874 14.459 405 1HD PRO 60 HD2 PRO 60 62.867 -6.495 12.359 406 2HD PRO 60 HD1 PRO 60 61.835 -7.932 12.185 407 H GLY 61 HN GLY 61 61.615 -4.048 11.982 408 1HA GLY 61 HA2 GLY 61 60.460 -1.511 12.604 409 2HA GLY 61 HA1 GLY 61 61.640 -1.916 13.849 410 H CYS 62 HN CYS 62 61.981 -2.992 10.533 411 HA CYS 62 HA CYS 62 64.649 -2.205 10.193 412 1HB CYS 62 HB2 CYS 62 62.821 -3.591 8.802 413 2HB CYS 62 HB1 CYS 62 62.763 -2.088 7.885 414 H LYS 63 HN LYS 63 65.439 -0.141 10.394 415 HA LYS 63 HA LYS 63 63.780 2.128 9.352 416 1HB LYS 63 HB2 LYS 63 64.293 2.196 11.742 417 2HB LYS 63 HB1 LYS 63 66.010 1.962 11.408 418 1HG LYS 63 HG2 LYS 63 66.022 4.098 10.127 419 2HG LYS 63 HG1 LYS 63 64.333 4.342 10.564 420 1HD LYS 63 HD2 LYS 63 65.606 5.598 12.151 421 2HD LYS 63 HD1 LYS 63 65.066 4.152 13.001 422 1HE LYS 63 HE2 LYS 63 67.293 4.005 13.574 423 2HE LYS 63 HE1 LYS 63 67.439 3.265 11.967 424 1HZ LYS 63 HZ1 LYS 63 67.947 5.347 10.999 425 2HZ LYS 63 HZ2 LYS 63 68.935 5.224 12.373 426 3HZ LYS 63 HZ3 LYS 63 67.545 6.197 12.411 427 H ILE 64 HN ILE 64 64.572 3.202 7.568 428 HA ILE 64 HA ILE 64 67.491 3.008 6.974 429 HB ILE 64 HB ILE 64 65.169 2.392 5.123 430 1HG1 ILE 64 HG12 ILE 64 67.376 0.674 6.307 431 2HG1 ILE 64 HG11 ILE 64 65.653 0.564 6.666 432 1HG2 ILE 64 HG21 ILE 64 67.786 1.696 4.117 433 2HG2 ILE 64 HG22 ILE 64 67.731 3.414 4.515 434 3HG2 ILE 64 HG23 ILE 64 66.559 2.732 3.388 435 1HD1 ILE 64 HD1 ILE 64 65.336 0.169 4.138 436 2HD1 ILE 64 HD1 ILE 64 66.021 -1.155 5.080 437 3HD1 ILE 64 HD1 ILE 64 67.073 -0.134 4.096 438 H SER 65 HN SER 65 68.300 4.816 5.817 439 HA SER 65 HA SER 65 66.344 6.940 5.069 440 1HB SER 65 HB2 SER 65 67.138 8.395 6.628 441 2HB SER 65 HB1 SER 65 67.684 6.934 7.451 442 HG SER 65 HG SER 65 69.114 8.800 5.929 443 H THR 66 HN THR 66 66.772 7.106 2.917 444 HA THR 66 HA THR 66 67.964 7.391 0.915 445 HB THR 66 HB THR 66 69.985 8.732 2.702 446 HG1 THR 66 HG1 THR 66 68.348 10.539 2.128 447 1HG2 THR 66 HG21 THR 66 70.601 9.875 0.815 448 2HG2 THR 66 HG22 THR 66 68.957 9.901 0.173 449 3HG2 THR 66 HG23 THR 66 69.942 8.444 0.015 450 H CYS 67 HN CYS 67 68.427 4.937 1.114 451 HA CYS 67 HA CYS 67 71.404 4.570 1.052 452 1HB CYS 67 HB2 CYS 67 70.399 3.677 3.164 453 2HB CYS 67 HB1 CYS 67 69.364 2.628 2.202 454 H ILE 68 HN ILE 68 71.790 4.154 -1.087 455 HA ILE 68 HA ILE 68 70.024 3.400 -3.092 456 HB ILE 68 HB ILE 68 72.956 3.004 -2.584 457 1HG1 ILE 68 HG12 ILE 68 72.972 4.508 -4.663 458 2HG1 ILE 68 HG11 ILE 68 71.227 4.642 -4.445 459 1HG2 ILE 68 HG21 ILE 68 71.351 1.890 -4.890 460 2HG2 ILE 68 HG22 ILE 68 72.559 1.067 -3.903 461 3HG2 ILE 68 HG23 ILE 68 73.056 2.298 -5.064 462 1HD1 ILE 68 HD1 ILE 68 73.047 5.162 -2.113 463 2HD1 ILE 68 HD1 ILE 68 71.426 5.783 -2.420 464 3HD1 ILE 68 HD1 ILE 68 72.800 6.421 -3.322 465 H ILE 69 HN ILE 69 72.294 1.015 -1.690 466 HA ILE 69 HA ILE 69 71.998 -1.289 -1.228 467 HB ILE 69 HB ILE 69 69.045 -0.600 -1.327 468 1HG1 ILE 69 HG12 ILE 69 70.917 -0.327 1.044 469 2HG1 ILE 69 HG11 ILE 69 70.378 1.030 0.059 470 1HG2 ILE 69 HG21 ILE 69 69.972 -3.020 -1.061 471 2HG2 ILE 69 HG22 ILE 69 68.736 -2.463 0.064 472 3HG2 ILE 69 HG23 ILE 69 70.426 -2.495 0.560 473 1HD1 ILE 69 HD1 ILE 69 68.966 0.748 2.076 474 2HD1 ILE 69 HD1 ILE 69 68.547 -0.880 1.538 475 3HD1 ILE 69 HD1 ILE 69 68.039 0.521 0.593 476 H THR 70 HN THR 70 71.413 -3.267 -2.372 477 HA THR 70 HA THR 70 70.034 -2.959 -4.990 478 HB THR 70 HB THR 70 72.819 -4.129 -4.716 479 HG1 THR 70 HG1 THR 70 73.224 -2.064 -4.388 480 1HG2 THR 70 HG21 THR 70 72.833 -3.806 -7.175 481 2HG2 THR 70 HG22 THR 70 71.172 -3.220 -7.093 482 3HG2 THR 70 HG23 THR 70 71.540 -4.892 -6.666 483 H GLY 71 HN GLY 71 71.926 -5.725 -5.040 484 1HA GLY 71 HA2 GLY 71 69.650 -7.449 -4.561 485 2HA GLY 71 HA1 GLY 71 71.293 -7.976 -4.913 486 H GLY 72 HN GLY 72 69.201 -6.801 -2.317 487 1HA GLY 72 HA2 GLY 72 69.372 -7.094 -0.002 488 2HA GLY 72 HA1 GLY 72 70.158 -8.617 -0.388 489 H VAL 73 HN VAL 73 71.593 -5.769 -1.658 490 HA VAL 73 HA VAL 73 73.725 -5.853 0.464 491 HB VAL 73 HB VAL 73 75.193 -5.233 -1.580 492 1HG1 VAL 73 HG11 VAL 73 75.059 -7.501 -0.455 493 2HG1 VAL 73 HG12 VAL 73 75.498 -7.553 -2.162 494 3HG1 VAL 73 HG13 VAL 73 73.854 -7.950 -1.662 495 1HG2 VAL 73 HG21 VAL 73 72.787 -4.931 -2.816 496 2HG2 VAL 73 HG22 VAL 73 73.171 -6.591 -3.274 497 3HG2 VAL 73 HG23 VAL 73 74.284 -5.285 -3.681 498 HA PRO 74 HA PRO 74 72.766 -1.500 0.513 499 1HB PRO 74 HB2 PRO 74 74.513 -0.798 2.490 500 2HB PRO 74 HB1 PRO 74 72.977 -1.624 2.810 501 1HG PRO 74 HG2 PRO 74 75.725 -2.678 2.866 502 2HG PRO 74 HG1 PRO 74 74.285 -3.224 3.734 503 1HD PRO 74 HD2 PRO 74 75.423 -4.403 1.435 504 2HD PRO 74 HD1 PRO 74 73.852 -4.792 2.168 505 H ALA 75 HN ALA 75 73.597 0.061 -0.826 506 HA ALA 75 HA ALA 75 76.399 -0.201 -1.773 507 1HB ALA 75 HB1 ALA 75 74.028 0.220 -3.028 508 2HB ALA 75 HB2 ALA 75 75.574 0.745 -3.696 509 3HB ALA 75 HB3 ALA 75 74.560 1.887 -2.813 510 HA PRO 76 HA PRO 76 77.747 3.230 0.629 511 1HB PRO 76 HB2 PRO 76 79.854 4.051 -0.911 512 2HB PRO 76 HB1 PRO 76 79.899 2.584 0.087 513 1HG PRO 76 HG2 PRO 76 79.474 2.866 -2.841 514 2HG PRO 76 HG1 PRO 76 80.354 1.622 -1.943 515 1HD PRO 76 HD2 PRO 76 77.836 1.281 -2.964 516 2HD PRO 76 HD1 PRO 76 78.476 0.382 -1.572 517 H SER 77 HN SER 77 77.401 5.485 0.676 518 HA SER 77 HA SER 77 77.127 7.063 -1.772 519 1HB SER 77 HB2 SER 77 75.038 5.676 -1.647 520 2HB SER 77 HB1 SER 77 74.676 6.433 -0.099 521 HG SER 77 HG SER 77 74.546 8.410 -1.137 522 H ALA 78 HN ALA 78 78.371 7.055 1.049 523 HA ALA 78 HA ALA 78 78.702 8.604 2.820 524 1HB ALA 78 HB1 ALA 78 79.784 9.978 1.321 525 2HB ALA 78 HB2 ALA 78 78.397 11.023 1.630 526 3HB ALA 78 HB3 ALA 78 78.423 9.989 0.202 527 H ALA 79 HN ALA 79 75.856 7.653 2.312 528 HA ALA 79 HA ALA 79 74.537 9.660 4.027 529 1HB ALA 79 HB1 ALA 79 74.426 10.128 1.402 530 2HB ALA 79 HB2 ALA 79 73.033 10.434 2.441 531 3HB ALA 79 HB3 ALA 79 73.116 8.949 1.492 532 H CYS 80 HN CYS 80 74.326 6.608 2.205 533 HA CYS 80 HA CYS 80 71.917 5.549 3.163 534 1HB CYS 80 HB2 CYS 80 73.106 4.325 1.539 535 2HB CYS 80 HB1 CYS 80 74.599 4.381 2.455 536 H LYS 81 HN LYS 81 71.292 4.458 5.016 537 HA LYS 81 HA LYS 81 72.975 4.884 7.427 538 1HB LYS 81 HB2 LYS 81 70.952 5.129 8.486 539 2HB LYS 81 HB1 LYS 81 70.356 5.386 6.850 540 1HG LYS 81 HG2 LYS 81 70.306 2.791 8.426 541 2HG LYS 81 HG1 LYS 81 68.918 3.759 7.930 542 1HD LYS 81 HD2 LYS 81 68.910 2.866 5.842 543 2HD LYS 81 HD1 LYS 81 70.655 2.995 5.689 544 1HE LYS 81 HE2 LYS 81 70.885 0.991 7.184 545 2HE LYS 81 HE1 LYS 81 69.124 0.799 7.102 546 1HZ LYS 81 HZ1 LYS 81 70.301 1.281 4.536 547 2HZ LYS 81 HZ2 LYS 81 69.241 0.045 5.019 548 3HZ LYS 81 HZ3 LYS 81 70.915 -0.127 5.256 549 H ILE 82 HN ILE 82 72.926 3.004 9.050 550 HA ILE 82 HA ILE 82 72.535 0.318 7.878 551 HB ILE 82 HB ILE 82 75.210 1.483 8.701 552 1HG1 ILE 82 HG12 ILE 82 74.528 1.985 6.383 553 2HG1 ILE 82 HG11 ILE 82 75.869 0.848 6.403 554 1HG2 ILE 82 HG21 ILE 82 74.237 -1.233 8.840 555 2HG2 ILE 82 HG22 ILE 82 75.806 -0.586 9.329 556 3HG2 ILE 82 HG23 ILE 82 75.548 -1.112 7.665 557 1HD1 ILE 82 HD1 ILE 82 73.365 -0.597 6.508 558 2HD1 ILE 82 HD1 ILE 82 74.649 -0.696 5.306 559 3HD1 ILE 82 HD1 ILE 82 73.368 0.505 5.130 560 H SER 83 HN SER 83 71.001 1.075 9.884 561 HA SER 83 HA SER 83 72.324 0.468 12.478 562 1HB SER 83 HB2 SER 83 69.534 1.430 11.776 563 2HB SER 83 HB1 SER 83 70.227 1.367 13.395 564 HG SER 83 HG SER 83 71.944 2.736 12.435 565 H GLY 84 HN GLY 84 69.080 -0.263 12.763 566 1HA GLY 84 HA2 GLY 84 69.677 -3.174 12.692 567 2HA GLY 84 HA1 GLY 84 68.364 -2.421 13.596 568 H CYS 85 HN CYS 85 69.424 -3.324 10.341 569 HA CYS 85 HA CYS 85 66.551 -3.547 9.558 570 1HB CYS 85 HB2 CYS 85 68.344 -1.494 8.781 571 2HB CYS 85 HB1 CYS 85 68.184 -2.553 7.381 572 H THR 86 HN THR 86 66.971 -4.358 6.924 573 HA THR 86 HA THR 86 69.114 -6.254 6.605 574 HB THR 86 HB THR 86 68.046 -7.456 8.377 575 HG1 THR 86 HG1 THR 86 66.835 -9.062 6.715 576 1HG2 THR 86 HG21 THR 86 65.910 -6.403 8.518 577 2HG2 THR 86 HG22 THR 86 65.576 -8.084 8.105 578 3HG2 THR 86 HG23 THR 86 65.509 -6.840 6.858 579 H PHE 87 HN PHE 87 69.078 -7.134 4.538 580 HA PHE 87 HA PHE 87 66.796 -6.241 2.810 581 1HB PHE 87 HB2 PHE 87 69.575 -7.000 1.906 582 2HB PHE 87 HB1 PHE 87 68.401 -5.976 1.084 583 HD1 PHE 87 HD1 PHE 87 71.363 -5.360 1.840 584 HD2 PHE 87 HD2 PHE 87 67.589 -4.453 3.689 585 HE1 PHE 87 HE1 PHE 87 72.366 -3.362 2.913 586 HE2 PHE 87 HE2 PHE 87 68.592 -2.449 4.757 587 HZ PHE 87 HZ PHE 87 70.982 -1.904 4.369 588 H SER 88 HN SER 88 69.347 -8.747 2.560 589 HA SER 88 HA SER 88 69.154 -11.080 2.170 590 1HB SER 88 HB2 SER 88 67.107 -10.415 3.835 591 2HB SER 88 HB1 SER 88 66.197 -10.999 2.445 592 HG SER 88 HG SER 88 66.632 -12.784 3.633 593 H ALA 89 HN ALA 89 68.208 -8.719 0.196 594 HA ALA 89 HA ALA 89 67.391 -8.615 -2.027 595 1HB ALA 89 HB1 ALA 89 69.229 -9.783 -2.756 596 2HB ALA 89 HB2 ALA 89 68.010 -11.008 -3.115 597 3HB ALA 89 HB3 ALA 89 68.948 -11.112 -1.628 598 H ASN 90 HN ASN 90 65.113 -8.524 -1.568 599 HA ASN 90 HA ASN 90 63.449 -10.698 -0.870 600 1HB ASN 90 HB2 ASN 90 61.719 -9.174 -1.342 601 2HB ASN 90 HB1 ASN 90 63.090 -8.100 -1.091 602 1HD2 ASN 90 HD2 ASN 90 60.545 -8.173 -3.008 603 2HD2 ASN 90 HD2 ASN 90 61.207 -7.688 -4.495 Start of MODEL 10 1 1H ASP 1 HT1 ASP 1 47.124 11.950 2.436 2 2H ASP 1 HT2 ASP 1 47.121 10.814 3.700 3 3H ASP 1 HT3 ASP 1 45.737 11.023 2.736 4 HA ASP 1 HA ASP 1 47.617 10.424 0.883 5 1HB ASP 1 HB2 ASP 1 48.062 8.781 3.398 6 2HB ASP 1 HB1 ASP 1 48.915 8.594 1.865 7 H GLY 2 HN GLY 2 47.372 7.407 1.711 8 1HA GLY 2 HA2 GLY 2 45.070 6.247 2.185 9 2HA GLY 2 HA1 GLY 2 44.562 7.157 0.762 10 H SER 3 HN SER 3 44.175 5.287 -0.496 11 HA SER 3 HA SER 3 46.061 3.135 -0.844 12 1HB SER 3 HB2 SER 3 43.439 3.742 -1.494 13 2HB SER 3 HB1 SER 3 44.235 3.745 -3.065 14 HG SER 3 HG SER 3 44.825 1.690 -1.262 15 H CYS 4 HN CYS 4 47.814 3.000 -2.248 16 HA CYS 4 HA CYS 4 48.103 5.146 -4.322 17 1HB CYS 4 HB2 CYS 4 49.608 4.692 -1.936 18 2HB CYS 4 HB1 CYS 4 50.651 4.343 -3.316 19 H THR 5 HN THR 5 48.780 1.825 -3.322 20 HA THR 5 HA THR 5 49.273 -0.078 -4.618 21 HB THR 5 HB THR 5 48.681 1.875 -6.872 22 HG1 THR 5 HG1 THR 5 46.948 1.611 -5.477 23 1HG2 THR 5 HG21 THR 5 48.955 -1.131 -6.793 24 2HG2 THR 5 HG22 THR 5 49.825 0.007 -7.820 25 3HG2 THR 5 HG23 THR 5 48.108 -0.287 -8.087 26 H ASN 6 HN ASN 6 51.175 2.535 -4.289 27 HA ASN 6 HA ASN 6 53.486 2.863 -4.637 28 1HB ASN 6 HB2 ASN 6 54.531 0.859 -4.401 29 2HB ASN 6 HB1 ASN 6 52.967 0.083 -4.621 30 1HD2 ASN 6 HD2 ASN 6 55.909 1.127 -6.365 31 2HD2 ASN 6 HD2 ASN 6 55.680 0.102 -7.700 32 H THR 7 HN THR 7 52.207 0.999 -7.409 33 HA THR 7 HA THR 7 52.383 3.297 -9.201 34 HB THR 7 HB THR 7 54.321 0.965 -9.369 35 HG1 THR 7 HG1 THR 7 55.443 2.427 -8.366 36 1HG2 THR 7 HG21 THR 7 54.044 3.186 -11.394 37 2HG2 THR 7 HG22 THR 7 53.174 1.661 -11.567 38 3HG2 THR 7 HG23 THR 7 54.937 1.672 -11.548 39 H ASN 8 HN ASN 8 52.061 -0.210 -8.778 40 HA ASN 8 HA ASN 8 49.508 -0.392 -10.036 41 1HB ASN 8 HB2 ASN 8 51.611 0.072 -11.807 42 2HB ASN 8 HB1 ASN 8 51.342 -1.666 -11.909 43 1HD2 ASN 8 HD2 ASN 8 48.540 -1.782 -11.487 44 2HD2 ASN 8 HD2 ASN 8 47.753 -0.994 -12.768 45 H SER 9 HN SER 9 50.839 -1.547 -7.752 46 HA SER 9 HA SER 9 50.803 -4.437 -8.543 47 1HB SER 9 HB2 SER 9 52.625 -4.756 -6.942 48 2HB SER 9 HB1 SER 9 53.070 -3.527 -8.119 49 HG SER 9 HG SER 9 52.278 -1.980 -6.531 50 H GLN 10 HN GLN 10 51.069 -2.799 -5.358 51 HA GLN 10 HA GLN 10 48.318 -3.579 -4.654 52 1HB GLN 10 HB2 GLN 10 50.501 -5.380 -4.391 53 2HB GLN 10 HB1 GLN 10 50.061 -4.866 -2.762 54 1HG GLN 10 HG2 GLN 10 47.867 -5.678 -2.960 55 2HG GLN 10 HG1 GLN 10 47.930 -5.691 -4.723 56 1HE2 GLN 10 HE21 GLN 10 49.962 -7.192 -5.500 57 2HE2 GLN 10 HE22 GLN 10 50.002 -8.717 -4.756 58 H LEU 11 HN LEU 11 51.463 -2.973 -3.015 59 HA LEU 11 HA LEU 11 51.968 -1.488 -1.237 60 1HB LEU 11 HB2 LEU 11 51.372 0.043 -3.176 61 2HB LEU 11 HB1 LEU 11 49.734 0.127 -2.520 62 HG LEU 11 HG LEU 11 50.538 1.081 -0.452 63 1HD1 LEU 11 HD1 LEU 11 52.535 0.109 0.110 64 2HD1 LEU 11 HD1 LEU 11 53.153 1.623 -0.543 65 3HD1 LEU 11 HD1 LEU 11 53.159 0.164 -1.536 66 1HD2 LEU 11 HD2 LEU 11 50.344 2.562 -2.533 67 2HD2 LEU 11 HD2 LEU 11 52.103 2.473 -2.634 68 3HD2 LEU 11 HD2 LEU 11 51.336 3.193 -1.219 69 H SER 12 HN SER 12 51.129 -2.895 0.418 70 HA SER 12 HA SER 12 48.560 -3.440 1.226 71 1HB SER 12 HB2 SER 12 51.136 -3.482 2.314 72 2HB SER 12 HB1 SER 12 50.185 -2.564 3.479 73 HG SER 12 HG SER 12 49.549 -5.118 2.397 74 H ALA 13 HN ALA 13 46.871 -2.346 2.226 75 HA ALA 13 HA ALA 13 46.500 0.434 1.910 76 1HB ALA 13 HB1 ALA 13 45.042 -1.740 2.691 77 2HB ALA 13 HB2 ALA 13 44.468 -0.078 2.831 78 3HB ALA 13 HB3 ALA 13 45.198 -0.880 4.224 79 H ASN 14 HN ASN 14 48.338 -1.269 4.298 80 HA ASN 14 HA ASN 14 48.235 0.977 6.223 81 1HB ASN 14 HB2 ASN 14 49.389 -0.597 7.661 82 2HB ASN 14 HB1 ASN 14 48.079 -1.447 6.849 83 1HD2 ASN 14 HD2 ASN 14 48.684 -3.386 5.897 84 2HD2 ASN 14 HD2 ASN 14 50.258 -3.785 5.401 85 H SER 15 HN SER 15 50.117 0.086 3.515 86 HA SER 15 HA SER 15 52.733 0.907 4.405 87 1HB SER 15 HB2 SER 15 52.801 -0.247 2.393 88 2HB SER 15 HB1 SER 15 51.274 0.437 1.841 89 HG SER 15 HG SER 15 52.301 2.236 1.195 90 H LYS 16 HN LYS 16 53.647 2.963 2.941 91 HA LYS 16 HA LYS 16 51.792 5.248 3.545 92 1HB LYS 16 HB2 LYS 16 54.106 4.620 4.808 93 2HB LYS 16 HB1 LYS 16 54.736 5.641 3.513 94 1HG LYS 16 HG2 LYS 16 54.215 7.348 4.933 95 2HG LYS 16 HG1 LYS 16 52.576 7.106 4.321 96 1HD LYS 16 HD2 LYS 16 52.852 5.169 6.315 97 2HD LYS 16 HD1 LYS 16 53.644 6.596 6.986 98 1HE LYS 16 HE2 LYS 16 51.681 7.901 6.852 99 2HE LYS 16 HE1 LYS 16 50.932 6.813 5.667 100 1HZ LYS 16 HZ1 LYS 16 50.005 6.360 7.823 101 2HZ LYS 16 HZ2 LYS 16 51.550 6.184 8.505 102 3HZ LYS 16 HZ3 LYS 16 50.986 5.052 7.370 103 H CYS 17 HN CYS 17 52.103 7.140 2.120 104 HA CYS 17 HA CYS 17 53.636 6.694 -0.375 105 1HB CYS 17 HB2 CYS 17 51.405 5.596 -0.622 106 2HB CYS 17 HB1 CYS 17 50.636 7.157 -0.325 107 H GLU 18 HN GLU 18 54.760 8.602 -0.431 108 HA GLU 18 HA GLU 18 53.419 11.129 -0.827 109 1HB GLU 18 HB2 GLU 18 52.987 10.781 1.580 110 2HB GLU 18 HB1 GLU 18 54.715 10.580 1.865 111 1HG GLU 18 HG2 GLU 18 55.170 12.827 1.566 112 2HG GLU 18 HG1 GLU 18 53.797 13.068 0.483 113 H LYS 19 HN LYS 19 54.865 12.219 -2.117 114 HA LYS 19 HA LYS 19 56.927 12.830 -3.108 115 1HB LYS 19 HB2 LYS 19 57.207 12.786 -0.154 116 2HB LYS 19 HB1 LYS 19 58.724 12.813 -1.053 117 1HG LYS 19 HG2 LYS 19 57.570 14.720 -2.431 118 2HG LYS 19 HG1 LYS 19 56.509 14.845 -1.028 119 1HD LYS 19 HD2 LYS 19 59.389 14.681 -0.387 120 2HD LYS 19 HD1 LYS 19 58.901 16.144 -1.243 121 1HE LYS 19 HE2 LYS 19 56.885 15.817 0.650 122 2HE LYS 19 HE1 LYS 19 58.365 15.376 1.527 123 1HZ LYS 19 HZ1 LYS 19 59.306 17.421 0.228 124 2HZ LYS 19 HZ2 LYS 19 58.456 17.645 1.681 125 3HZ LYS 19 HZ3 LYS 19 57.679 17.901 0.191 126 H SER 20 HN SER 20 56.435 10.229 -3.706 127 HA SER 20 HA SER 20 59.107 8.923 -3.361 128 1HB SER 20 HB2 SER 20 58.171 7.313 -2.089 129 2HB SER 20 HB1 SER 20 56.662 8.221 -2.105 130 HG SER 20 HG SER 20 56.493 6.059 -2.946 131 H THR 21 HN THR 21 59.484 7.220 -5.030 132 HA THR 21 HA THR 21 57.707 7.472 -7.434 133 HB THR 21 HB THR 21 59.581 8.980 -7.757 134 HG1 THR 21 HG1 THR 21 60.396 8.086 -9.594 135 1HG2 THR 21 HG21 THR 21 61.927 7.705 -7.747 136 2HG2 THR 21 HG22 THR 21 61.096 6.711 -6.550 137 3HG2 THR 21 HG23 THR 21 61.272 8.445 -6.286 138 H LEU 22 HN LEU 22 57.249 5.328 -6.007 139 HA LEU 22 HA LEU 22 59.119 3.143 -6.323 140 1HB LEU 22 HB2 LEU 22 56.150 2.967 -5.820 141 2HB LEU 22 HB1 LEU 22 57.414 1.896 -5.228 142 HG LEU 22 HG LEU 22 56.651 4.638 -4.266 143 1HD1 LEU 22 HD1 LEU 22 57.515 2.088 -2.875 144 2HD1 LEU 22 HD1 LEU 22 55.842 2.575 -3.139 145 3HD1 LEU 22 HD1 LEU 22 56.887 3.535 -2.088 146 1HD2 LEU 22 HD2 LEU 22 59.399 3.689 -4.625 147 2HD2 LEU 22 HD2 LEU 22 59.026 4.006 -2.934 148 3HD2 LEU 22 HD2 LEU 22 58.821 5.280 -4.133 149 H THR 23 HN THR 23 58.178 1.032 -7.370 150 HA THR 23 HA THR 23 56.549 1.389 -9.781 151 HB THR 23 HB THR 23 59.563 1.171 -9.807 152 HG1 THR 23 HG1 THR 23 58.322 2.656 -11.703 153 1HG2 THR 23 HG21 THR 23 57.634 -0.101 -11.621 154 2HG2 THR 23 HG22 THR 23 59.363 -0.392 -11.436 155 3HG2 THR 23 HG23 THR 23 58.796 0.937 -12.449 156 H ASN 24 HN ASN 24 55.417 -0.530 -9.767 157 HA ASN 24 HA ASN 24 54.939 -2.831 -9.449 158 1HB ASN 24 HB2 ASN 24 57.860 -2.918 -10.297 159 2HB ASN 24 HB1 ASN 24 56.737 -4.275 -10.377 160 1HD2 ASN 24 HD2 ASN 24 54.428 -3.115 -11.412 161 2HD2 ASN 24 HD2 ASN 24 54.739 -2.463 -12.946 162 H CYS 25 HN CYS 25 54.665 -3.108 -7.171 163 HA CYS 25 HA CYS 25 56.970 -4.272 -5.740 164 1HB CYS 25 HB2 CYS 25 56.310 -1.495 -5.614 165 2HB CYS 25 HB1 CYS 25 55.903 -2.201 -4.052 166 H TYR 26 HN TYR 26 55.911 -4.017 -3.150 167 HA TYR 26 HA TYR 26 53.106 -4.823 -3.053 168 1HB TYR 26 HB2 TYR 26 54.162 -6.884 -3.912 169 2HB TYR 26 HB1 TYR 26 55.336 -6.842 -2.594 170 HD1 TYR 26 HD1 TYR 26 54.799 -8.772 -1.305 171 HD2 TYR 26 HD2 TYR 26 51.695 -6.040 -2.478 172 HE1 TYR 26 HE1 TYR 26 53.191 -9.961 0.165 173 HE2 TYR 26 HE2 TYR 26 50.091 -7.232 -1.009 174 HH TYR 26 HH TYR 26 51.070 -9.492 1.331 175 H VAL 27 HN VAL 27 54.903 -2.881 -1.900 176 HA VAL 27 HA VAL 27 56.069 -3.113 0.522 177 HB VAL 27 HB VAL 27 53.764 -1.202 0.125 178 1HG1 VAL 27 HG11 VAL 27 56.031 0.130 1.054 179 2HG1 VAL 27 HG12 VAL 27 56.063 -1.414 1.907 180 3HG1 VAL 27 HG13 VAL 27 54.647 -0.370 2.028 181 1HG2 VAL 27 HG21 VAL 27 55.832 0.154 -0.936 182 2HG2 VAL 27 HG22 VAL 27 54.757 -0.842 -1.924 183 3HG2 VAL 27 HG23 VAL 27 56.316 -1.480 -1.394 184 H ASP 28 HN ASP 28 55.438 -3.309 2.720 185 HA ASP 28 HA ASP 28 52.636 -3.996 3.387 186 1HB ASP 28 HB2 ASP 28 54.362 -5.961 2.564 187 2HB ASP 28 HB1 ASP 28 54.658 -5.963 4.303 188 H LYS 29 HN LYS 29 52.336 -2.780 5.254 189 HA LYS 29 HA LYS 29 52.907 -1.632 7.262 190 1HB LYS 29 HB2 LYS 29 54.569 -4.172 7.436 191 2HB LYS 29 HB1 LYS 29 54.220 -3.114 8.800 192 1HG LYS 29 HG2 LYS 29 51.962 -3.700 8.846 193 2HG LYS 29 HG1 LYS 29 51.957 -4.206 7.156 194 1HD LYS 29 HD2 LYS 29 52.360 -6.326 7.788 195 2HD LYS 29 HD1 LYS 29 53.871 -5.809 8.534 196 1HE LYS 29 HE2 LYS 29 51.178 -5.582 9.918 197 2HE LYS 29 HE1 LYS 29 52.297 -6.938 10.153 198 1HZ LYS 29 HZ1 LYS 29 53.951 -4.855 10.373 199 2HZ LYS 29 HZ2 LYS 29 53.193 -5.597 11.701 200 3HZ LYS 29 HZ3 LYS 29 52.538 -4.181 11.026 201 H SER 30 HN SER 30 54.134 -0.112 5.659 202 HA SER 30 HA SER 30 56.930 0.135 6.590 203 1HB SER 30 HB2 SER 30 56.183 -0.319 3.686 204 2HB SER 30 HB1 SER 30 57.809 -0.002 4.285 205 HG SER 30 HG SER 30 57.939 -1.997 4.943 206 H GLU 31 HN GLU 31 57.872 2.170 5.987 207 HA GLU 31 HA GLU 31 55.888 4.239 5.097 208 1HB GLU 31 HB2 GLU 31 57.603 3.911 7.429 209 2HB GLU 31 HB1 GLU 31 57.914 5.444 6.615 210 1HG GLU 31 HG2 GLU 31 55.550 6.029 6.727 211 2HG GLU 31 HG1 GLU 31 55.165 4.455 7.424 212 H VAL 32 HN VAL 32 56.503 5.043 3.117 213 HA VAL 32 HA VAL 32 59.438 5.135 2.505 214 HB VAL 32 HB VAL 32 57.065 4.639 0.682 215 1HG1 VAL 32 HG11 VAL 32 60.018 4.944 0.268 216 2HG1 VAL 32 HG12 VAL 32 58.683 5.501 -0.743 217 3HG1 VAL 32 HG13 VAL 32 59.136 3.796 -0.742 218 1HG2 VAL 32 HG21 VAL 32 57.523 2.359 0.840 219 2HG2 VAL 32 HG22 VAL 32 57.895 2.876 2.487 220 3HG2 VAL 32 HG23 VAL 32 59.200 2.623 1.322 221 H TYR 33 HN TYR 33 60.117 6.944 1.143 222 HA TYR 33 HA TYR 33 58.173 9.148 0.709 223 1HB TYR 33 HB2 TYR 33 60.421 9.066 2.711 224 2HB TYR 33 HB1 TYR 33 59.878 10.604 2.050 225 HD1 TYR 33 HD1 TYR 33 57.610 11.449 2.502 226 HD2 TYR 33 HD2 TYR 33 58.993 7.740 4.170 227 HE1 TYR 33 HE1 TYR 33 55.713 11.462 4.095 228 HE2 TYR 33 HE2 TYR 33 57.099 7.746 5.768 229 HH TYR 33 HH TYR 33 55.340 8.881 6.534 230 H GLY 34 HN GLY 34 60.005 7.478 -1.029 231 1HA GLY 34 HA2 GLY 34 60.854 9.308 -2.922 232 2HA GLY 34 HA1 GLY 34 62.210 9.233 -1.798 233 H THR 35 HN THR 35 61.720 6.417 -1.151 234 HA THR 35 HA THR 35 63.512 5.015 -2.658 235 HB THR 35 HB THR 35 60.837 4.193 -1.516 236 HG1 THR 35 HG1 THR 35 62.363 4.958 -0.050 237 1HG2 THR 35 HG21 THR 35 62.166 1.900 -1.449 238 2HG2 THR 35 HG22 THR 35 62.951 2.582 -2.871 239 3HG2 THR 35 HG23 THR 35 61.201 2.359 -2.850 240 H THR 36 HN THR 36 63.265 3.418 -4.440 241 HA THR 36 HA THR 36 61.403 4.402 -6.556 242 HB THR 36 HB THR 36 63.647 2.492 -7.055 243 HG1 THR 36 HG1 THR 36 65.128 3.821 -6.395 244 1HG2 THR 36 HG21 THR 36 63.244 5.067 -8.498 245 2HG2 THR 36 HG22 THR 36 62.006 3.828 -8.694 246 3HG2 THR 36 HG23 THR 36 63.678 3.479 -9.130 247 H CYS 37 HN CYS 37 61.908 1.752 -4.424 248 HA CYS 37 HA CYS 37 61.079 -0.484 -4.409 249 1HB CYS 37 HB2 CYS 37 59.160 1.503 -4.378 250 2HB CYS 37 HB1 CYS 37 58.570 0.431 -5.647 251 H THR 38 HN THR 38 62.274 -1.599 -6.046 252 HA THR 38 HA THR 38 61.119 -1.565 -8.806 253 HB THR 38 HB THR 38 63.753 -2.556 -7.663 254 HG1 THR 38 HG1 THR 38 64.108 -0.631 -9.373 255 1HG2 THR 38 HG21 THR 38 62.445 -2.899 -10.273 256 2HG2 THR 38 HG22 THR 38 63.804 -3.778 -9.573 257 3HG2 THR 38 HG23 THR 38 64.073 -2.233 -10.380 258 H GLY 39 HN GLY 39 59.367 -3.023 -8.484 259 1HA GLY 39 HA2 GLY 39 58.313 -5.096 -8.146 260 2HA GLY 39 HA1 GLY 39 59.777 -5.751 -8.876 261 H SER 40 HN SER 40 59.944 -3.952 -5.884 262 HA SER 40 HA SER 40 60.772 -6.470 -4.492 263 1HB SER 40 HB2 SER 40 61.175 -3.716 -3.394 264 2HB SER 40 HB1 SER 40 62.240 -5.118 -3.311 265 HG SER 40 HG SER 40 62.510 -4.820 -5.630 266 H ARG 41 HN ARG 41 60.438 -5.692 -1.865 267 HA ARG 41 HA ARG 41 57.748 -4.634 -1.381 268 1HB ARG 41 HB2 ARG 41 56.812 -6.770 -0.629 269 2HB ARG 41 HB1 ARG 41 57.372 -6.935 -2.293 270 1HG ARG 41 HG2 ARG 41 59.599 -7.748 -1.254 271 2HG ARG 41 HG1 ARG 41 58.670 -7.959 0.230 272 1HD ARG 41 HD2 ARG 41 57.990 -9.968 -0.571 273 2HD ARG 41 HD1 ARG 41 57.110 -9.101 -1.845 274 HE ARG 41 HE ARG 41 60.003 -9.414 -2.304 275 1HH1 ARG 41 HH2 ARG 41 58.861 -12.166 -2.298 276 2HH1 ARG 41 HH2 ARG 41 58.358 -12.364 -3.945 277 1HH2 ARG 41 HH1 ARG 41 58.461 -8.974 -4.664 278 2HH2 ARG 41 HH1 ARG 41 58.127 -10.558 -5.280 279 H PHE 42 HN PHE 42 57.331 -4.439 0.921 280 HA PHE 42 HA PHE 42 59.743 -4.938 2.637 281 1HB PHE 42 HB2 PHE 42 57.660 -2.764 2.981 282 2HB PHE 42 HB1 PHE 42 59.243 -2.865 3.744 283 HD1 PHE 42 HD1 PHE 42 57.802 -0.730 1.794 284 HD2 PHE 42 HD2 PHE 42 60.900 -3.676 1.364 285 HE1 PHE 42 HE1 PHE 42 58.788 0.580 -0.067 286 HE2 PHE 42 HE2 PHE 42 61.883 -2.361 -0.500 287 HZ PHE 42 HZ PHE 42 60.822 -0.235 -1.206 288 H ASP 43 HN ASP 43 58.779 -4.647 5.102 289 HA ASP 43 HA ASP 43 56.113 -5.770 5.489 290 1HB ASP 43 HB2 ASP 43 58.391 -7.485 5.039 291 2HB ASP 43 HB1 ASP 43 57.795 -7.720 6.683 292 H GLY 44 HN GLY 44 57.305 -3.466 6.515 293 1HA GLY 44 HA2 GLY 44 56.796 -2.847 8.910 294 2HA GLY 44 HA1 GLY 44 57.803 -4.228 9.357 295 H VAL 45 HN VAL 45 58.236 -1.512 7.031 296 HA VAL 45 HA VAL 45 60.787 -0.913 8.488 297 HB VAL 45 HB VAL 45 62.021 -1.059 6.528 298 1HG1 VAL 45 HG11 VAL 45 61.086 -3.284 6.988 299 2HG1 VAL 45 HG12 VAL 45 61.298 -3.043 5.254 300 3HG1 VAL 45 HG13 VAL 45 59.692 -2.912 5.973 301 1HG2 VAL 45 HG21 VAL 45 59.521 -0.079 5.277 302 2HG2 VAL 45 HG22 VAL 45 60.530 -1.113 4.264 303 3HG2 VAL 45 HG23 VAL 45 61.197 0.368 4.953 304 H THR 46 HN THR 46 61.696 1.224 7.267 305 HA THR 46 HA THR 46 59.526 3.175 6.736 306 HB THR 46 HB THR 46 61.536 3.372 9.001 307 HG1 THR 46 HG1 THR 46 59.220 3.515 10.004 308 1HG2 THR 46 HG21 THR 46 61.171 5.592 8.819 309 2HG2 THR 46 HG22 THR 46 59.503 5.281 9.304 310 3HG2 THR 46 HG23 THR 46 59.926 5.345 7.592 311 H ILE 47 HN ILE 47 61.189 2.480 4.766 312 HA ILE 47 HA ILE 47 63.702 3.986 4.804 313 HB ILE 47 HB ILE 47 63.541 1.887 3.619 314 1HG1 ILE 47 HG12 ILE 47 63.446 4.008 1.467 315 2HG1 ILE 47 HG11 ILE 47 64.822 3.836 2.556 316 1HG2 ILE 47 HG21 ILE 47 61.807 2.457 1.452 317 2HG2 ILE 47 HG22 ILE 47 60.944 2.905 2.922 318 3HG2 ILE 47 HG23 ILE 47 61.573 1.268 2.733 319 1HD1 ILE 47 HD1 ILE 47 65.154 1.527 1.827 320 2HD1 ILE 47 HD1 ILE 47 65.138 2.586 0.417 321 3HD1 ILE 47 HD1 ILE 47 63.719 1.614 0.807 322 H THR 48 HN THR 48 64.101 5.627 2.987 323 HA THR 48 HA THR 48 61.639 7.186 2.292 324 HB THR 48 HB THR 48 62.747 9.209 3.128 325 HG1 THR 48 HG1 THR 48 64.770 8.578 4.422 326 1HG2 THR 48 HG21 THR 48 61.474 7.724 4.710 327 2HG2 THR 48 HG22 THR 48 62.693 8.729 5.489 328 3HG2 THR 48 HG23 THR 48 63.015 7.019 5.199 329 H THR 49 HN THR 49 64.032 9.225 1.586 330 HA THR 49 HA THR 49 64.067 8.651 -1.230 331 HB THR 49 HB THR 49 65.941 10.316 0.486 332 HG1 THR 49 HG1 THR 49 64.153 11.386 0.785 333 1HG2 THR 49 HG21 THR 49 66.168 11.604 -1.669 334 2HG2 THR 49 HG22 THR 49 65.287 10.300 -2.469 335 3HG2 THR 49 HG23 THR 49 66.851 9.979 -1.717 336 H SER 50 HN SER 50 64.741 6.268 -0.859 337 HA SER 50 HA SER 50 67.734 6.113 -0.898 338 1HB SER 50 HB2 SER 50 65.701 4.362 0.512 339 2HB SER 50 HB1 SER 50 67.405 3.948 0.363 340 HG SER 50 HG SER 50 66.194 5.613 2.090 341 H THR 51 HN THR 51 68.526 4.902 -2.606 342 HA THR 51 HA THR 51 66.560 3.735 -4.489 343 HB THR 51 HB THR 51 69.553 3.663 -4.751 344 HG1 THR 51 HG1 THR 51 69.547 5.805 -5.312 345 1HG2 THR 51 HG21 THR 51 68.357 2.703 -6.577 346 2HG2 THR 51 HG22 THR 51 68.872 4.300 -7.120 347 3HG2 THR 51 HG23 THR 51 67.203 4.036 -6.611 348 H SER 52 HN SER 52 66.329 1.525 -4.800 349 HA SER 52 HA SER 52 68.270 -0.367 -3.599 350 1HB SER 52 HB2 SER 52 66.643 -1.323 -2.110 351 2HB SER 52 HB1 SER 52 66.548 0.421 -1.874 352 HG SER 52 HG SER 52 64.890 0.158 -3.706 353 H THR 53 HN THR 53 68.434 -2.116 -4.979 354 HA THR 53 HA THR 53 66.184 -2.519 -6.923 355 HB THR 53 HB THR 53 68.732 -3.815 -7.528 356 HG1 THR 53 HG1 THR 53 68.839 -1.023 -7.620 357 1HG2 THR 53 HG21 THR 53 68.123 -1.760 -9.361 358 2HG2 THR 53 HG22 THR 53 66.570 -2.393 -8.808 359 3HG2 THR 53 HG23 THR 53 67.760 -3.479 -9.526 360 H GLY 54 HN GLY 54 64.927 -4.207 -6.230 361 1HA GLY 54 HA2 GLY 54 64.350 -6.276 -5.274 362 2HA GLY 54 HA1 GLY 54 65.819 -6.862 -6.064 363 H SER 55 HN SER 55 64.477 -5.634 -3.076 364 HA SER 55 HA SER 55 66.695 -6.865 -1.567 365 1HB SER 55 HB2 SER 55 67.318 -4.750 -0.505 366 2HB SER 55 HB1 SER 55 67.445 -4.573 -2.251 367 HG SER 55 HG SER 55 65.720 -3.394 -0.451 368 H ARG 56 HN ARG 56 65.682 -7.872 0.118 369 HA ARG 56 HA ARG 56 62.940 -7.114 0.863 370 1HB ARG 56 HB2 ARG 56 64.094 -9.461 0.604 371 2HB ARG 56 HB1 ARG 56 64.631 -9.159 2.259 372 1HG ARG 56 HG2 ARG 56 62.520 -9.310 3.123 373 2HG ARG 56 HG1 ARG 56 61.778 -8.590 1.691 374 1HD ARG 56 HD2 ARG 56 61.879 -10.653 0.484 375 2HD ARG 56 HD1 ARG 56 62.944 -11.392 1.700 376 HE ARG 56 HE ARG 56 60.152 -10.518 2.354 377 1HH1 ARG 56 HH1 ARG 56 61.783 -11.322 4.653 378 2HH1 ARG 56 HH1 ARG 56 61.464 -13.018 4.792 379 1HH2 ARG 56 HH2 ARG 56 60.185 -13.303 1.582 380 2HH2 ARG 56 HH2 ARG 56 60.556 -14.142 3.052 381 H ILE 57 HN ILE 57 62.984 -5.205 2.045 382 HA ILE 57 HA ILE 57 64.928 -4.859 4.236 383 HB ILE 57 HB ILE 57 62.616 -3.127 3.293 384 1HG1 ILE 57 HG12 ILE 57 65.243 -2.250 2.478 385 2HG1 ILE 57 HG11 ILE 57 64.970 -3.900 1.914 386 1HG2 ILE 57 HG21 ILE 57 65.183 -2.222 4.570 387 2HG2 ILE 57 HG22 ILE 57 63.855 -2.783 5.577 388 3HG2 ILE 57 HG23 ILE 57 63.627 -1.397 4.517 389 1HD1 ILE 57 HD1 ILE 57 64.149 -2.351 0.230 390 2HD1 ILE 57 HD1 ILE 57 63.172 -1.508 1.433 391 3HD1 ILE 57 HD1 ILE 57 62.773 -3.164 0.976 392 H SER 58 HN SER 58 62.648 -6.939 4.259 393 HA SER 58 HA SER 58 60.529 -6.401 5.965 394 1HB SER 58 HB2 SER 58 62.242 -8.635 5.244 395 2HB SER 58 HB1 SER 58 61.704 -8.775 6.916 396 HG SER 58 HG SER 58 60.323 -9.137 4.629 397 H GLY 59 HN GLY 59 60.318 -6.423 8.346 398 1HA GLY 59 HA2 GLY 59 62.333 -6.774 10.228 399 2HA GLY 59 HA1 GLY 59 62.536 -5.108 9.690 400 HA PRO 60 HA PRO 60 58.841 -5.715 12.666 401 1HB PRO 60 HB2 PRO 60 60.050 -5.750 15.124 402 2HB PRO 60 HB1 PRO 60 59.661 -7.228 14.218 403 1HG PRO 60 HG2 PRO 60 62.263 -5.815 14.509 404 2HG PRO 60 HG1 PRO 60 61.919 -7.549 14.460 405 1HD PRO 60 HD2 PRO 60 62.900 -6.145 12.335 406 2HD PRO 60 HD1 PRO 60 61.921 -7.621 12.176 407 H GLY 61 HN GLY 61 61.774 -3.849 12.590 408 1HA GLY 61 HA2 GLY 61 60.282 -1.377 13.100 409 2HA GLY 61 HA1 GLY 61 61.496 -1.754 14.326 410 H CYS 62 HN CYS 62 61.749 -2.489 10.882 411 HA CYS 62 HA CYS 62 64.418 -1.604 10.587 412 1HB CYS 62 HB2 CYS 62 62.222 -2.611 9.023 413 2HB CYS 62 HB1 CYS 62 63.047 -1.346 8.114 414 H LYS 63 HN LYS 63 65.236 0.249 9.356 415 HA LYS 63 HA LYS 63 63.509 2.601 8.947 416 1HB LYS 63 HB2 LYS 63 63.856 2.792 11.312 417 2HB LYS 63 HB1 LYS 63 65.559 2.341 11.163 418 1HG LYS 63 HG2 LYS 63 65.846 4.444 9.741 419 2HG LYS 63 HG1 LYS 63 64.240 4.920 10.283 420 1HD LYS 63 HD2 LYS 63 64.967 4.827 12.617 421 2HD LYS 63 HD1 LYS 63 66.561 4.261 12.119 422 1HE LYS 63 HE2 LYS 63 66.931 6.572 12.371 423 2HE LYS 63 HE1 LYS 63 66.547 6.462 10.642 424 1HZ LYS 63 HZ1 LYS 63 64.104 6.545 11.794 425 2HZ LYS 63 HZ2 LYS 63 64.901 7.886 11.122 426 3HZ LYS 63 HZ3 LYS 63 64.991 7.590 12.793 427 H ILE 64 HN ILE 64 64.338 3.219 6.933 428 HA ILE 64 HA ILE 64 67.328 3.339 6.698 429 HB ILE 64 HB ILE 64 65.264 2.498 4.642 430 1HG1 ILE 64 HG12 ILE 64 67.462 0.731 5.580 431 2HG1 ILE 64 HG11 ILE 64 66.140 1.023 6.710 432 1HG2 ILE 64 HG21 ILE 64 67.488 3.733 3.936 433 2HG2 ILE 64 HG22 ILE 64 66.995 2.270 3.089 434 3HG2 ILE 64 HG23 ILE 64 68.237 2.190 4.338 435 1HD1 ILE 64 HD1 ILE 64 66.169 -0.654 4.368 436 2HD1 ILE 64 HD1 ILE 64 64.926 0.590 4.207 437 3HD1 ILE 64 HD1 ILE 64 64.924 -0.483 5.605 438 H SER 65 HN SER 65 68.138 4.979 5.296 439 HA SER 65 HA SER 65 66.296 6.973 4.155 440 1HB SER 65 HB2 SER 65 66.370 8.319 5.973 441 2HB SER 65 HB1 SER 65 67.390 7.146 6.805 442 HG SER 65 HG SER 65 68.058 9.526 5.885 443 H THR 66 HN THR 66 67.257 7.600 2.262 444 HA THR 66 HA THR 66 68.915 7.910 0.614 445 HB THR 66 HB THR 66 70.849 8.515 2.822 446 HG1 THR 66 HG1 THR 66 68.353 9.709 2.389 447 1HG2 THR 66 HG21 THR 66 70.125 10.417 0.663 448 2HG2 THR 66 HG22 THR 66 70.881 8.907 0.151 449 3HG2 THR 66 HG23 THR 66 71.715 9.971 1.287 450 H CYS 67 HN CYS 67 68.928 5.474 0.369 451 HA CYS 67 HA CYS 67 71.654 4.395 1.017 452 1HB CYS 67 HB2 CYS 67 68.965 3.026 1.386 453 2HB CYS 67 HB1 CYS 67 70.523 2.225 1.549 454 H ILE 68 HN ILE 68 72.540 3.914 -0.985 455 HA ILE 68 HA ILE 68 70.715 3.302 -3.238 456 HB ILE 68 HB ILE 68 73.703 3.748 -2.978 457 1HG1 ILE 68 HG12 ILE 68 73.081 5.775 -4.382 458 2HG1 ILE 68 HG11 ILE 68 71.387 5.362 -4.098 459 1HG2 ILE 68 HG21 ILE 68 73.569 2.303 -4.809 460 2HG2 ILE 68 HG22 ILE 68 73.374 3.876 -5.586 461 3HG2 ILE 68 HG23 ILE 68 71.958 2.869 -5.254 462 1HD1 ILE 68 HD1 ILE 68 71.530 5.796 -1.801 463 2HD1 ILE 68 HD1 ILE 68 72.562 7.056 -2.484 464 3HD1 ILE 68 HD1 ILE 68 73.283 5.609 -1.778 465 H ILE 69 HN ILE 69 70.044 1.255 -2.272 466 HA ILE 69 HA ILE 69 72.043 -0.892 -2.006 467 HB ILE 69 HB ILE 69 69.028 -0.778 -1.679 468 1HG1 ILE 69 HG12 ILE 69 70.967 -1.002 0.596 469 2HG1 ILE 69 HG11 ILE 69 70.778 0.570 -0.176 470 1HG2 ILE 69 HG21 ILE 69 69.151 -2.920 -0.657 471 2HG2 ILE 69 HG22 ILE 69 70.911 -2.860 -0.558 472 3HG2 ILE 69 HG23 ILE 69 70.122 -3.065 -2.122 473 1HD1 ILE 69 HD1 ILE 69 68.361 -1.022 0.662 474 2HD1 ILE 69 HD1 ILE 69 68.501 0.716 0.389 475 3HD1 ILE 69 HD1 ILE 69 69.222 -0.013 1.824 476 H THR 70 HN THR 70 71.786 -2.934 -3.212 477 HA THR 70 HA THR 70 70.104 -2.912 -5.642 478 HB THR 70 HB THR 70 73.125 -2.672 -5.609 479 HG1 THR 70 HG1 THR 70 72.012 -1.124 -7.384 480 1HG2 THR 70 HG21 THR 70 72.216 -4.479 -7.180 481 2HG2 THR 70 HG22 THR 70 73.192 -3.212 -7.921 482 3HG2 THR 70 HG23 THR 70 71.436 -3.167 -8.063 483 H GLY 71 HN GLY 71 69.253 -4.947 -4.952 484 1HA GLY 71 HA2 GLY 71 69.383 -7.334 -5.293 485 2HA GLY 71 HA1 GLY 71 71.142 -7.212 -5.237 486 H GLY 72 HN GLY 72 69.509 -5.442 -2.811 487 1HA GLY 72 HA2 GLY 72 68.954 -6.056 -0.558 488 2HA GLY 72 HA1 GLY 72 69.629 -7.659 -0.849 489 H VAL 73 HN VAL 73 71.540 -5.076 -2.000 490 HA VAL 73 HA VAL 73 73.335 -5.277 0.406 491 HB VAL 73 HB VAL 73 75.183 -5.217 -1.189 492 1HG1 VAL 73 HG11 VAL 73 74.936 -7.437 -1.453 493 2HG1 VAL 73 HG12 VAL 73 73.761 -7.170 -2.742 494 3HG1 VAL 73 HG13 VAL 73 73.222 -7.281 -1.065 495 1HG2 VAL 73 HG21 VAL 73 74.495 -5.305 -3.680 496 2HG2 VAL 73 HG22 VAL 73 74.392 -3.742 -2.870 497 3HG2 VAL 73 HG23 VAL 73 72.931 -4.692 -3.138 498 HA PRO 74 HA PRO 74 72.866 -0.846 0.212 499 1HB PRO 74 HB2 PRO 74 74.441 -0.270 2.362 500 2HB PRO 74 HB1 PRO 74 72.798 -0.916 2.526 501 1HG PRO 74 HG2 PRO 74 75.404 -2.272 2.867 502 2HG PRO 74 HG1 PRO 74 73.853 -2.590 3.653 503 1HD PRO 74 HD2 PRO 74 74.963 -4.061 1.552 504 2HD PRO 74 HD1 PRO 74 73.273 -4.127 2.097 505 H ALA 75 HN ALA 75 74.079 0.715 -0.862 506 HA ALA 75 HA ALA 75 76.847 0.017 -1.661 507 1HB ALA 75 HB1 ALA 75 74.875 2.197 -2.414 508 2HB ALA 75 HB2 ALA 75 75.288 0.768 -3.361 509 3HB ALA 75 HB3 ALA 75 76.479 2.047 -3.129 510 HA PRO 76 HA PRO 76 78.755 2.785 1.165 511 1HB PRO 76 HB2 PRO 76 80.850 3.727 -0.328 512 2HB PRO 76 HB1 PRO 76 80.798 2.080 0.330 513 1HG PRO 76 HG2 PRO 76 80.197 3.033 -2.426 514 2HG PRO 76 HG1 PRO 76 81.044 1.571 -1.897 515 1HD PRO 76 HD2 PRO 76 78.456 1.568 -2.734 516 2HD PRO 76 HD1 PRO 76 79.100 0.405 -1.552 517 H SER 77 HN SER 77 76.616 4.122 0.585 518 HA SER 77 HA SER 77 77.028 6.498 -1.077 519 1HB SER 77 HB2 SER 77 74.860 5.254 -0.710 520 2HB SER 77 HB1 SER 77 74.864 5.843 0.950 521 HG SER 77 HG SER 77 75.086 7.554 -1.296 522 H ALA 78 HN ALA 78 78.301 5.701 1.843 523 HA ALA 78 HA ALA 78 78.975 6.938 3.758 524 1HB ALA 78 HB1 ALA 78 79.256 9.343 2.062 525 2HB ALA 78 HB2 ALA 78 79.968 7.877 1.384 526 3HB ALA 78 HB3 ALA 78 80.486 8.458 2.968 527 H ALA 79 HN ALA 79 76.085 7.026 3.109 528 HA ALA 79 HA ALA 79 75.384 9.403 4.738 529 1HB ALA 79 HB1 ALA 79 75.249 10.323 2.542 530 2HB ALA 79 HB2 ALA 79 73.587 9.901 2.950 531 3HB ALA 79 HB3 ALA 79 74.529 8.853 1.889 532 H CYS 80 HN CYS 80 74.347 6.476 3.008 533 HA CYS 80 HA CYS 80 71.797 6.056 4.086 534 1HB CYS 80 HB2 CYS 80 72.867 4.666 2.381 535 2HB CYS 80 HB1 CYS 80 74.074 4.124 3.533 536 H LYS 81 HN LYS 81 71.317 4.401 5.916 537 HA LYS 81 HA LYS 81 73.006 5.132 8.263 538 1HB LYS 81 HB2 LYS 81 70.924 4.596 9.526 539 2HB LYS 81 HB1 LYS 81 70.682 5.849 8.311 540 1HG LYS 81 HG2 LYS 81 68.873 4.518 7.796 541 2HG LYS 81 HG1 LYS 81 70.073 3.702 6.805 542 1HD LYS 81 HD2 LYS 81 70.506 2.431 9.136 543 2HD LYS 81 HD1 LYS 81 68.795 2.813 9.322 544 1HE LYS 81 HE2 LYS 81 68.734 1.919 6.775 545 2HE LYS 81 HE1 LYS 81 70.109 0.971 7.376 546 1HZ LYS 81 HZ1 LYS 81 67.559 0.298 7.794 547 2HZ LYS 81 HZ2 LYS 81 67.862 1.212 9.194 548 3HZ LYS 81 HZ3 LYS 81 68.827 -0.137 8.834 549 H ILE 82 HN ILE 82 71.426 2.303 6.730 550 HA ILE 82 HA ILE 82 71.724 -0.015 7.209 551 HB ILE 82 HB ILE 82 74.533 1.064 7.630 552 1HG1 ILE 82 HG12 ILE 82 73.562 2.001 5.585 553 2HG1 ILE 82 HG11 ILE 82 74.755 0.772 5.162 554 1HG2 ILE 82 HG21 ILE 82 74.200 -1.416 6.127 555 2HG2 ILE 82 HG22 ILE 82 73.556 -1.543 7.765 556 3HG2 ILE 82 HG23 ILE 82 75.238 -1.078 7.510 557 1HD1 ILE 82 HD1 ILE 82 72.739 0.461 3.809 558 2HD1 ILE 82 HD1 ILE 82 71.746 0.386 5.265 559 3HD1 ILE 82 HD1 ILE 82 72.917 -0.891 4.928 560 H SER 83 HN SER 83 70.499 0.622 9.369 561 HA SER 83 HA SER 83 72.298 -0.004 11.686 562 1HB SER 83 HB2 SER 83 71.546 2.334 11.640 563 2HB SER 83 HB1 SER 83 69.870 1.812 11.476 564 HG SER 83 HG SER 83 71.333 2.118 13.690 565 H GLY 84 HN GLY 84 69.131 0.305 12.704 566 1HA GLY 84 HA2 GLY 84 68.843 -2.508 13.227 567 2HA GLY 84 HA1 GLY 84 67.602 -1.284 13.490 568 H CYS 85 HN CYS 85 69.240 -2.737 10.632 569 HA CYS 85 HA CYS 85 66.662 -3.658 9.591 570 1HB CYS 85 HB2 CYS 85 67.034 -1.073 9.253 571 2HB CYS 85 HB1 CYS 85 68.103 -1.594 7.954 572 H THR 86 HN THR 86 67.194 -4.104 6.990 573 HA THR 86 HA THR 86 69.834 -4.857 6.224 574 HB THR 86 HB THR 86 69.760 -6.388 8.091 575 HG1 THR 86 HG1 THR 86 69.885 -8.348 6.978 576 1HG2 THR 86 HG21 THR 86 67.901 -8.004 8.359 577 2HG2 THR 86 HG22 THR 86 67.075 -7.267 6.984 578 3HG2 THR 86 HG23 THR 86 67.328 -6.339 8.462 579 H PHE 87 HN PHE 87 69.712 -6.483 4.311 580 HA PHE 87 HA PHE 87 66.990 -6.473 3.058 581 1HB PHE 87 HB2 PHE 87 69.315 -6.130 1.253 582 2HB PHE 87 HB1 PHE 87 67.736 -5.364 1.194 583 HD1 PHE 87 HD1 PHE 87 71.031 -4.614 1.401 584 HD2 PHE 87 HD2 PHE 87 67.404 -3.864 3.583 585 HE1 PHE 87 HE1 PHE 87 72.026 -2.571 2.368 586 HE2 PHE 87 HE2 PHE 87 68.410 -1.808 4.547 587 HZ PHE 87 HZ PHE 87 70.724 -1.162 3.936 588 H SER 88 HN SER 88 66.600 -8.280 1.672 589 HA SER 88 HA SER 88 68.753 -10.369 1.620 590 1HB SER 88 HB2 SER 88 66.752 -10.565 3.294 591 2HB SER 88 HB1 SER 88 65.813 -10.983 1.862 592 HG SER 88 HG SER 88 67.311 -12.653 1.467 593 H ALA 89 HN ALA 89 67.839 -8.382 -0.455 594 HA ALA 89 HA ALA 89 67.202 -8.369 -2.741 595 1HB ALA 89 HB1 ALA 89 69.259 -9.909 -2.451 596 2HB ALA 89 HB2 ALA 89 68.333 -10.082 -3.943 597 3HB ALA 89 HB3 ALA 89 68.122 -11.245 -2.633 598 H ASN 90 HN ASN 90 64.900 -8.569 -1.485 599 HA ASN 90 HA ASN 90 63.362 -10.906 -1.483 600 1HB ASN 90 HB2 ASN 90 61.609 -9.422 -1.125 601 2HB ASN 90 HB1 ASN 90 62.970 -8.347 -0.826 602 1HD2 ASN 90 HD2 ASN 90 63.841 -7.480 -3.215 603 2HD2 ASN 90 HD2 ASN 90 62.599 -6.799 -4.150 Start of MODEL 11 1 1H ASP 1 HT1 ASP 1 45.117 4.958 -1.917 2 2H ASP 1 HT2 ASP 1 45.323 4.065 -0.486 3 3H ASP 1 HT3 ASP 1 46.665 4.429 -1.463 4 HA ASP 1 HA ASP 1 45.115 6.234 0.297 5 1HB ASP 1 HB2 ASP 1 47.316 6.600 1.213 6 2HB ASP 1 HB1 ASP 1 47.130 4.859 1.000 7 H GLY 2 HN GLY 2 47.486 8.082 -0.121 8 1HA GLY 2 HA2 GLY 2 46.276 9.739 -2.157 9 2HA GLY 2 HA1 GLY 2 47.822 10.054 -1.367 10 H SER 3 HN SER 3 46.274 8.433 -4.080 11 HA SER 3 HA SER 3 47.185 7.542 -6.076 12 1HB SER 3 HB2 SER 3 49.222 9.694 -5.431 13 2HB SER 3 HB1 SER 3 48.854 9.054 -7.030 14 HG SER 3 HG SER 3 47.754 11.099 -6.049 15 H CYS 4 HN CYS 4 50.203 7.823 -6.523 16 HA CYS 4 HA CYS 4 52.172 6.575 -6.099 17 1HB CYS 4 HB2 CYS 4 51.273 7.145 -3.680 18 2HB CYS 4 HB1 CYS 4 50.873 5.427 -3.647 19 H THR 5 HN THR 5 52.823 4.492 -6.697 20 HA THR 5 HA THR 5 51.161 2.139 -6.459 21 HB THR 5 HB THR 5 51.273 3.677 -9.078 22 HG1 THR 5 HG1 THR 5 49.004 3.468 -8.870 23 1HG2 THR 5 HG21 THR 5 50.517 0.810 -8.492 24 2HG2 THR 5 HG22 THR 5 51.674 1.403 -9.681 25 3HG2 THR 5 HG23 THR 5 49.947 1.658 -9.927 26 H ASN 6 HN ASN 6 52.206 0.344 -7.838 27 HA ASN 6 HA ASN 6 55.042 0.953 -8.537 28 1HB ASN 6 HB2 ASN 6 55.628 -1.077 -7.100 29 2HB ASN 6 HB1 ASN 6 55.043 0.333 -6.210 30 1HD2 ASN 6 HD2 ASN 6 53.505 -2.512 -7.879 31 2HD2 ASN 6 HD2 ASN 6 52.411 -2.817 -6.623 32 H THR 7 HN THR 7 53.514 0.573 -10.629 33 HA THR 7 HA THR 7 53.222 -0.839 -12.519 34 HB THR 7 HB THR 7 54.613 -2.997 -10.934 35 HG1 THR 7 HG1 THR 7 56.468 -1.649 -12.106 36 1HG2 THR 7 HG21 THR 7 54.653 -2.101 -13.826 37 2HG2 THR 7 HG22 THR 7 53.944 -3.583 -13.185 38 3HG2 THR 7 HG23 THR 7 55.694 -3.365 -13.172 39 H ASN 8 HN ASN 8 51.628 -0.847 -9.843 40 HA ASN 8 HA ASN 8 49.542 -2.654 -10.612 41 1HB ASN 8 HB2 ASN 8 50.845 -4.512 -10.088 42 2HB ASN 8 HB1 ASN 8 51.777 -3.631 -8.878 43 1HD2 ASN 8 HD2 ASN 8 50.559 -3.063 -6.819 44 2HD2 ASN 8 HD2 ASN 8 49.347 -4.106 -6.277 45 H SER 9 HN SER 9 51.248 -1.241 -7.825 46 HA SER 9 HA SER 9 50.422 0.261 -6.176 47 1HB SER 9 HB2 SER 9 48.670 0.558 -8.219 48 2HB SER 9 HB1 SER 9 47.599 -0.141 -7.009 49 HG SER 9 HG SER 9 48.201 1.513 -5.596 50 H GLN 10 HN GLN 10 50.990 -1.510 -4.671 51 HA GLN 10 HA GLN 10 48.540 -2.859 -3.583 52 1HB GLN 10 HB2 GLN 10 50.829 -4.003 -4.782 53 2HB GLN 10 HB1 GLN 10 50.999 -4.287 -3.048 54 1HG GLN 10 HG2 GLN 10 48.281 -4.742 -3.665 55 2HG GLN 10 HG1 GLN 10 49.217 -5.571 -4.907 56 1HE2 GLN 10 HE21 GLN 10 47.825 -6.173 -1.991 57 2HE2 GLN 10 HE22 GLN 10 48.903 -7.330 -1.375 58 H LEU 11 HN LEU 11 50.319 -0.373 -2.967 59 HA LEU 11 HA LEU 11 51.799 -0.593 -0.616 60 1HB LEU 11 HB2 LEU 11 51.134 1.414 -2.129 61 2HB LEU 11 HB1 LEU 11 49.724 1.556 -1.083 62 HG LEU 11 HG LEU 11 51.037 2.057 0.818 63 1HD1 LEU 11 HD1 LEU 11 53.641 1.918 0.528 64 2HD1 LEU 11 HD1 LEU 11 53.255 0.784 -0.768 65 3HD1 LEU 11 HD1 LEU 11 52.730 0.451 0.886 66 1HD2 LEU 11 HD2 LEU 11 51.168 4.073 -0.274 67 2HD2 LEU 11 HD2 LEU 11 51.879 3.359 -1.722 68 3HD2 LEU 11 HD2 LEU 11 52.884 3.674 -0.308 69 H SER 12 HN SER 12 50.914 -2.273 0.724 70 HA SER 12 HA SER 12 48.376 -2.760 1.643 71 1HB SER 12 HB2 SER 12 50.698 -3.685 2.351 72 2HB SER 12 HB1 SER 12 50.669 -2.430 3.585 73 HG SER 12 HG SER 12 49.675 -4.072 4.567 74 H ALA 13 HN ALA 13 46.838 -1.703 2.866 75 HA ALA 13 HA ALA 13 46.733 1.068 3.158 76 1HB ALA 13 HB1 ALA 13 45.464 -1.294 4.496 77 2HB ALA 13 HB2 ALA 13 44.734 -0.088 3.436 78 3HB ALA 13 HB3 ALA 13 45.105 0.318 5.113 79 H ASN 14 HN ASN 14 48.584 -1.150 5.087 80 HA ASN 14 HA ASN 14 48.793 0.716 7.370 81 1HB ASN 14 HB2 ASN 14 48.646 -1.855 7.421 82 2HB ASN 14 HB1 ASN 14 50.318 -1.847 6.862 83 1HD2 ASN 14 HD2 ASN 14 51.702 -0.112 8.279 84 2HD2 ASN 14 HD2 ASN 14 51.505 -0.300 9.952 85 H SER 15 HN SER 15 50.245 0.448 4.345 86 HA SER 15 HA SER 15 52.971 1.170 5.217 87 1HB SER 15 HB2 SER 15 51.576 0.171 2.865 88 2HB SER 15 HB1 SER 15 52.693 1.462 2.445 89 HG SER 15 HG SER 15 53.542 -0.775 2.567 90 H LYS 16 HN LYS 16 53.516 3.009 3.084 91 HA LYS 16 HA LYS 16 51.673 5.281 3.258 92 1HB LYS 16 HB2 LYS 16 52.963 5.012 5.495 93 2HB LYS 16 HB1 LYS 16 54.371 5.563 4.590 94 1HG LYS 16 HG2 LYS 16 52.472 7.407 3.849 95 2HG LYS 16 HG1 LYS 16 52.031 7.084 5.525 96 1HD LYS 16 HD2 LYS 16 54.248 7.639 6.295 97 2HD LYS 16 HD1 LYS 16 54.855 7.736 4.643 98 1HE LYS 16 HE2 LYS 16 52.563 9.501 5.490 99 2HE LYS 16 HE1 LYS 16 54.234 9.967 5.868 100 1HZ LYS 16 HZ1 LYS 16 53.106 9.326 3.196 101 2HZ LYS 16 HZ2 LYS 16 54.770 9.489 3.496 102 3HZ LYS 16 HZ3 LYS 16 53.731 10.816 3.713 103 H CYS 17 HN CYS 17 52.415 7.053 1.904 104 HA CYS 17 HA CYS 17 54.894 6.558 0.322 105 1HB CYS 17 HB2 CYS 17 53.066 5.447 -0.848 106 2HB CYS 17 HB1 CYS 17 52.068 6.896 -0.733 107 H GLU 18 HN GLU 18 55.620 8.476 -0.801 108 HA GLU 18 HA GLU 18 54.316 10.994 -0.863 109 1HB GLU 18 HB2 GLU 18 55.221 10.115 1.733 110 2HB GLU 18 HB1 GLU 18 56.124 11.552 1.254 111 1HG GLU 18 HG2 GLU 18 53.669 12.343 0.501 112 2HG GLU 18 HG1 GLU 18 53.215 11.241 1.802 113 H LYS 19 HN LYS 19 55.473 11.447 -2.734 114 HA LYS 19 HA LYS 19 57.319 12.301 -3.961 115 1HB LYS 19 HB2 LYS 19 57.918 12.749 -1.269 116 2HB LYS 19 HB1 LYS 19 59.332 11.891 -1.882 117 1HG LYS 19 HG2 LYS 19 59.489 13.506 -3.754 118 2HG LYS 19 HG1 LYS 19 58.107 14.384 -3.095 119 1HD LYS 19 HD2 LYS 19 59.401 15.444 -1.586 120 2HD LYS 19 HD1 LYS 19 60.124 13.927 -1.053 121 1HE LYS 19 HE2 LYS 19 62.033 14.782 -1.989 122 2HE LYS 19 HE1 LYS 19 61.301 14.272 -3.524 123 1HZ LYS 19 HZ1 LYS 19 61.531 16.488 -3.941 124 2HZ LYS 19 HZ2 LYS 19 61.401 16.933 -2.306 125 3HZ LYS 19 HZ3 LYS 19 60.010 16.523 -3.191 126 H SER 20 HN SER 20 56.713 9.289 -3.163 127 HA SER 20 HA SER 20 59.355 8.133 -3.939 128 1HB SER 20 HB2 SER 20 56.975 6.488 -3.214 129 2HB SER 20 HB1 SER 20 58.663 6.263 -2.774 130 HG SER 20 HG SER 20 58.038 7.125 -0.956 131 H THR 21 HN THR 21 59.243 6.289 -5.533 132 HA THR 21 HA THR 21 57.226 6.866 -7.681 133 HB THR 21 HB THR 21 59.667 5.389 -8.385 134 HG1 THR 21 HG1 THR 21 60.510 7.863 -8.134 135 1HG2 THR 21 HG21 THR 21 59.419 7.936 -9.661 136 2HG2 THR 21 HG22 THR 21 57.806 7.234 -9.528 137 3HG2 THR 21 HG23 THR 21 59.092 6.341 -10.340 138 H LEU 22 HN LEU 22 59.094 4.238 -6.110 139 HA LEU 22 HA LEU 22 58.516 1.958 -5.806 140 1HB LEU 22 HB2 LEU 22 56.161 3.569 -5.741 141 2HB LEU 22 HB1 LEU 22 55.768 2.087 -6.612 142 HG LEU 22 HG LEU 22 56.722 0.763 -4.735 143 1HD1 LEU 22 HD1 LEU 22 57.299 1.877 -2.641 144 2HD1 LEU 22 HD1 LEU 22 56.909 3.450 -3.338 145 3HD1 LEU 22 HD1 LEU 22 58.292 2.535 -3.940 146 1HD2 LEU 22 HD2 LEU 22 54.946 1.697 -2.996 147 2HD2 LEU 22 HD2 LEU 22 54.419 0.933 -4.495 148 3HD2 LEU 22 HD2 LEU 22 54.459 2.690 -4.369 149 H THR 23 HN THR 23 57.993 0.031 -7.097 150 HA THR 23 HA THR 23 57.078 0.165 -9.830 151 HB THR 23 HB THR 23 60.024 0.331 -9.208 152 HG1 THR 23 HG1 THR 23 59.665 2.162 -10.129 153 1HG2 THR 23 HG21 THR 23 60.022 -0.236 -11.867 154 2HG2 THR 23 HG22 THR 23 58.727 -1.297 -11.313 155 3HG2 THR 23 HG23 THR 23 60.340 -1.435 -10.613 156 H ASN 24 HN ASN 24 56.135 -1.845 -9.918 157 HA ASN 24 HA ASN 24 55.813 -4.172 -9.579 158 1HB ASN 24 HB2 ASN 24 58.832 -3.874 -9.803 159 2HB ASN 24 HB1 ASN 24 58.033 -5.446 -9.750 160 1HD2 ASN 24 HD2 ASN 24 56.318 -5.812 -11.490 161 2HD2 ASN 24 HD2 ASN 24 56.545 -5.078 -13.004 162 H CYS 25 HN CYS 25 55.280 -3.040 -7.303 163 HA CYS 25 HA CYS 25 56.759 -4.612 -5.249 164 1HB CYS 25 HB2 CYS 25 56.643 -1.672 -5.648 165 2HB CYS 25 HB1 CYS 25 56.464 -2.231 -3.990 166 H TYR 26 HN TYR 26 55.561 -3.637 -3.016 167 HA TYR 26 HA TYR 26 52.641 -3.473 -3.340 168 1HB TYR 26 HB2 TYR 26 53.858 -5.736 -1.728 169 2HB TYR 26 HB1 TYR 26 52.187 -5.563 -2.270 170 HD1 TYR 26 HD1 TYR 26 55.567 -6.597 -3.183 171 HD2 TYR 26 HD2 TYR 26 51.602 -5.871 -4.667 172 HE1 TYR 26 HE1 TYR 26 56.125 -7.821 -5.265 173 HE2 TYR 26 HE2 TYR 26 52.158 -7.098 -6.748 174 HH TYR 26 HH TYR 26 53.729 -8.751 -7.543 175 H VAL 27 HN VAL 27 55.432 -3.877 -1.221 176 HA VAL 27 HA VAL 27 56.005 -2.874 0.827 177 HB VAL 27 HB VAL 27 53.979 -0.824 -0.098 178 1HG1 VAL 27 HG11 VAL 27 56.355 0.326 0.915 179 2HG1 VAL 27 HG12 VAL 27 55.927 -0.966 2.037 180 3HG1 VAL 27 HG13 VAL 27 54.767 0.315 1.681 181 1HG2 VAL 27 HG21 VAL 27 56.814 -1.384 -1.007 182 2HG2 VAL 27 HG22 VAL 27 56.008 0.158 -1.290 183 3HG2 VAL 27 HG23 VAL 27 55.360 -1.320 -2.004 184 H ASP 28 HN ASP 28 55.356 -3.129 2.926 185 HA ASP 28 HA ASP 28 52.485 -3.006 3.656 186 1HB ASP 28 HB2 ASP 28 53.755 -5.390 2.914 187 2HB ASP 28 HB1 ASP 28 53.737 -5.433 4.676 188 H LYS 29 HN LYS 29 52.344 -2.083 5.680 189 HA LYS 29 HA LYS 29 53.053 -1.195 7.749 190 1HB LYS 29 HB2 LYS 29 54.495 -3.835 7.503 191 2HB LYS 29 HB1 LYS 29 54.637 -2.845 8.952 192 1HG LYS 29 HG2 LYS 29 52.225 -2.902 9.278 193 2HG LYS 29 HG1 LYS 29 52.011 -3.783 7.765 194 1HD LYS 29 HD2 LYS 29 52.767 -5.765 8.651 195 2HD LYS 29 HD1 LYS 29 53.886 -4.962 9.753 196 1HE LYS 29 HE2 LYS 29 52.077 -5.948 11.069 197 2HE LYS 29 HE1 LYS 29 51.880 -4.185 11.093 198 1HZ LYS 29 HZ1 LYS 29 50.196 -6.174 9.912 199 2HZ LYS 29 HZ2 LYS 29 50.646 -4.985 8.785 200 3HZ LYS 29 HZ3 LYS 29 49.867 -4.541 10.228 201 H SER 30 HN SER 30 54.375 -0.285 5.355 202 HA SER 30 HA SER 30 57.097 0.340 6.458 203 1HB SER 30 HB2 SER 30 56.284 0.092 3.553 204 2HB SER 30 HB1 SER 30 57.919 0.186 4.196 205 HG SER 30 HG SER 30 57.463 -1.813 5.284 206 H GLU 31 HN GLU 31 57.957 2.433 5.457 207 HA GLU 31 HA GLU 31 55.728 4.431 5.212 208 1HB GLU 31 HB2 GLU 31 57.971 4.196 6.920 209 2HB GLU 31 HB1 GLU 31 58.339 5.523 5.817 210 1HG GLU 31 HG2 GLU 31 56.150 6.557 6.345 211 2HG GLU 31 HG1 GLU 31 55.816 5.246 7.477 212 H VAL 32 HN VAL 32 59.184 4.200 4.273 213 HA VAL 32 HA VAL 32 60.246 4.704 2.224 214 HB VAL 32 HB VAL 32 57.462 4.463 1.063 215 1HG1 VAL 32 HG11 VAL 32 59.314 5.171 -0.433 216 2HG1 VAL 32 HG12 VAL 32 58.691 3.579 -0.868 217 3HG1 VAL 32 HG13 VAL 32 60.212 3.720 0.015 218 1HG2 VAL 32 HG21 VAL 32 57.876 2.583 2.635 219 2HG2 VAL 32 HG22 VAL 32 59.394 2.237 1.807 220 3HG2 VAL 32 HG23 VAL 32 57.862 2.029 0.960 221 H TYR 33 HN TYR 33 60.709 6.626 1.070 222 HA TYR 33 HA TYR 33 58.673 8.786 0.978 223 1HB TYR 33 HB2 TYR 33 61.186 8.752 2.649 224 2HB TYR 33 HB1 TYR 33 60.505 10.277 2.090 225 HD1 TYR 33 HD1 TYR 33 60.237 7.590 4.493 226 HD2 TYR 33 HD2 TYR 33 58.087 10.808 2.635 227 HE1 TYR 33 HE1 TYR 33 58.563 7.526 6.322 228 HE2 TYR 33 HE2 TYR 33 56.412 10.743 4.460 229 HH TYR 33 HH TYR 33 56.883 8.808 7.325 230 H GLY 34 HN GLY 34 60.173 7.218 -1.057 231 1HA GLY 34 HA2 GLY 34 60.699 9.014 -3.036 232 2HA GLY 34 HA1 GLY 34 62.201 9.064 -2.115 233 H THR 35 HN THR 35 62.000 6.220 -1.353 234 HA THR 35 HA THR 35 63.632 4.909 -3.128 235 HB THR 35 HB THR 35 61.285 3.949 -1.484 236 HG1 THR 35 HG1 THR 35 62.984 4.720 -0.298 237 1HG2 THR 35 HG21 THR 35 61.565 2.251 -3.151 238 2HG2 THR 35 HG22 THR 35 62.378 1.672 -1.699 239 3HG2 THR 35 HG23 THR 35 63.323 2.339 -3.031 240 H THR 36 HN THR 36 63.352 3.566 -4.968 241 HA THR 36 HA THR 36 60.945 4.198 -6.606 242 HB THR 36 HB THR 36 63.634 2.916 -7.218 243 HG1 THR 36 HG1 THR 36 64.062 4.993 -7.000 244 1HG2 THR 36 HG21 THR 36 62.780 2.294 -9.197 245 2HG2 THR 36 HG22 THR 36 62.297 3.959 -9.522 246 3HG2 THR 36 HG23 THR 36 61.194 2.865 -8.685 247 H CYS 37 HN CYS 37 62.354 1.689 -4.718 248 HA CYS 37 HA CYS 37 61.763 -0.571 -4.378 249 1HB CYS 37 HB2 CYS 37 59.599 0.989 -4.178 250 2HB CYS 37 HB1 CYS 37 59.094 0.046 -5.581 251 H THR 38 HN THR 38 63.210 -1.255 -6.149 252 HA THR 38 HA THR 38 61.954 -1.731 -8.791 253 HB THR 38 HB THR 38 64.741 -2.443 -7.863 254 HG1 THR 38 HG1 THR 38 64.114 0.027 -9.025 255 1HG2 THR 38 HG21 THR 38 63.886 -3.167 -10.125 256 2HG2 THR 38 HG22 THR 38 65.304 -2.122 -10.188 257 3HG2 THR 38 HG23 THR 38 63.708 -1.460 -10.534 258 H GLY 39 HN GLY 39 60.585 -3.517 -8.616 259 1HA GLY 39 HA2 GLY 39 59.908 -5.728 -8.213 260 2HA GLY 39 HA1 GLY 39 61.553 -6.131 -8.698 261 H SER 40 HN SER 40 59.934 -4.714 -5.831 262 HA SER 40 HA SER 40 61.204 -6.778 -4.104 263 1HB SER 40 HB2 SER 40 62.832 -4.926 -4.325 264 2HB SER 40 HB1 SER 40 61.600 -3.778 -3.810 265 HG SER 40 HG SER 40 62.096 -4.290 -1.842 266 H ARG 41 HN ARG 41 60.561 -5.778 -1.651 267 HA ARG 41 HA ARG 41 57.929 -4.543 -1.539 268 1HB ARG 41 HB2 ARG 41 57.329 -6.757 -2.412 269 2HB ARG 41 HB1 ARG 41 58.219 -7.533 -1.100 270 1HG ARG 41 HG2 ARG 41 56.704 -6.261 0.509 271 2HG ARG 41 HG1 ARG 41 55.715 -5.848 -0.890 272 1HD ARG 41 HD2 ARG 41 54.881 -7.978 -1.083 273 2HD ARG 41 HD1 ARG 41 56.422 -8.723 -0.617 274 HE ARG 41 HE ARG 41 54.654 -7.364 1.385 275 1HH1 ARG 41 HH1 ARG 41 57.559 -8.532 1.738 276 2HH1 ARG 41 HH1 ARG 41 57.177 -9.971 2.624 277 1HH2 ARG 41 HH2 ARG 41 53.785 -9.814 1.929 278 2HH2 ARG 41 HH2 ARG 41 55.041 -10.696 2.732 279 H PHE 42 HN PHE 42 57.239 -4.259 0.693 280 HA PHE 42 HA PHE 42 59.429 -4.800 2.670 281 1HB PHE 42 HB2 PHE 42 57.357 -2.596 2.727 282 2HB PHE 42 HB1 PHE 42 58.849 -2.693 3.661 283 HD1 PHE 42 HD1 PHE 42 60.563 -3.764 1.292 284 HD2 PHE 42 HD2 PHE 42 57.847 -0.467 1.697 285 HE1 PHE 42 HE1 PHE 42 61.771 -2.545 -0.498 286 HE2 PHE 42 HE2 PHE 42 59.050 0.751 -0.091 287 HZ PHE 42 HZ PHE 42 61.015 -0.283 -1.186 288 H ASP 43 HN ASP 43 58.374 -4.578 5.002 289 HA ASP 43 HA ASP 43 55.625 -5.472 5.304 290 1HB ASP 43 HB2 ASP 43 57.369 -7.409 4.494 291 2HB ASP 43 HB1 ASP 43 57.519 -7.550 6.246 292 H GLY 44 HN GLY 44 57.224 -3.378 6.386 293 1HA GLY 44 HA2 GLY 44 56.684 -2.795 8.824 294 2HA GLY 44 HA1 GLY 44 57.582 -4.257 9.217 295 H VAL 45 HN VAL 45 58.171 -1.496 6.994 296 HA VAL 45 HA VAL 45 60.807 -1.153 8.383 297 HB VAL 45 HB VAL 45 61.931 -1.139 6.335 298 1HG1 VAL 45 HG11 VAL 45 59.517 -2.906 5.851 299 2HG1 VAL 45 HG12 VAL 45 61.016 -3.378 6.653 300 3HG1 VAL 45 HG13 VAL 45 61.022 -2.981 4.934 301 1HG2 VAL 45 HG21 VAL 45 61.028 0.415 4.926 302 2HG2 VAL 45 HG22 VAL 45 59.371 -0.035 5.326 303 3HG2 VAL 45 HG23 VAL 45 60.297 -1.006 4.179 304 H THR 46 HN THR 46 61.691 1.053 7.008 305 HA THR 46 HA THR 46 59.637 3.139 6.853 306 HB THR 46 HB THR 46 61.572 2.879 9.181 307 HG1 THR 46 HG1 THR 46 58.882 2.510 8.771 308 1HG2 THR 46 HG21 THR 46 60.600 5.247 7.884 309 2HG2 THR 46 HG22 THR 46 61.625 5.115 9.314 310 3HG2 THR 46 HG23 THR 46 59.870 5.126 9.485 311 H ILE 47 HN ILE 47 61.249 2.489 4.854 312 HA ILE 47 HA ILE 47 63.833 3.872 4.964 313 HB ILE 47 HB ILE 47 63.552 1.756 3.803 314 1HG1 ILE 47 HG12 ILE 47 63.749 3.829 1.617 315 2HG1 ILE 47 HG11 ILE 47 65.019 3.648 2.829 316 1HG2 ILE 47 HG21 ILE 47 61.440 1.435 3.014 317 2HG2 ILE 47 HG22 ILE 47 62.071 2.182 1.546 318 3HG2 ILE 47 HG23 ILE 47 61.185 3.154 2.719 319 1HD1 ILE 47 HD1 ILE 47 64.093 1.647 0.775 320 2HD1 ILE 47 HD1 ILE 47 64.962 1.136 2.223 321 3HD1 ILE 47 HD1 ILE 47 65.726 2.239 1.080 322 H THR 48 HN THR 48 64.363 5.350 3.039 323 HA THR 48 HA THR 48 62.072 7.173 2.414 324 HB THR 48 HB THR 48 63.563 9.043 2.855 325 HG1 THR 48 HG1 THR 48 65.682 8.779 3.116 326 1HG2 THR 48 HG21 THR 48 63.532 6.880 4.952 327 2HG2 THR 48 HG22 THR 48 62.580 8.362 4.883 328 3HG2 THR 48 HG23 THR 48 64.298 8.438 5.267 329 H THR 49 HN THR 49 63.744 8.923 0.857 330 HA THR 49 HA THR 49 63.645 7.870 -1.727 331 HB THR 49 HB THR 49 65.414 9.887 -0.330 332 HG1 THR 49 HG1 THR 49 64.048 11.193 -1.853 333 1HG2 THR 49 HG21 THR 49 65.352 9.183 -3.270 334 2HG2 THR 49 HG22 THR 49 66.749 9.162 -2.195 335 3HG2 THR 49 HG23 THR 49 66.003 10.696 -2.644 336 H SER 50 HN SER 50 64.434 5.606 -1.597 337 HA SER 50 HA SER 50 67.428 5.447 -1.433 338 1HB SER 50 HB2 SER 50 66.839 4.217 0.413 339 2HB SER 50 HB1 SER 50 65.217 3.898 -0.194 340 HG SER 50 HG SER 50 67.626 2.705 -1.119 341 H THR 51 HN THR 51 68.434 4.344 -3.097 342 HA THR 51 HA THR 51 66.795 3.696 -5.461 343 HB THR 51 HB THR 51 69.782 3.443 -5.021 344 HG1 THR 51 HG1 THR 51 69.808 5.517 -4.871 345 1HG2 THR 51 HG21 THR 51 67.932 3.371 -7.329 346 2HG2 THR 51 HG22 THR 51 69.512 2.615 -7.125 347 3HG2 THR 51 HG23 THR 51 69.399 4.321 -7.562 348 H SER 52 HN SER 52 67.028 1.950 -2.854 349 HA SER 52 HA SER 52 68.330 -0.444 -3.098 350 1HB SER 52 HB2 SER 52 66.605 -1.307 -1.744 351 2HB SER 52 HB1 SER 52 66.467 0.430 -1.494 352 HG SER 52 HG SER 52 64.444 -0.405 -1.974 353 H THR 53 HN THR 53 68.677 -1.677 -4.908 354 HA THR 53 HA THR 53 66.375 -2.044 -6.804 355 HB THR 53 HB THR 53 69.365 -2.379 -7.225 356 HG1 THR 53 HG1 THR 53 69.390 -0.328 -7.634 357 1HG2 THR 53 HG21 THR 53 68.168 -3.688 -8.829 358 2HG2 THR 53 HG22 THR 53 68.617 -2.194 -9.652 359 3HG2 THR 53 HG23 THR 53 66.969 -2.417 -9.066 360 H GLY 54 HN GLY 54 65.440 -3.851 -5.703 361 1HA GLY 54 HA2 GLY 54 65.192 -6.215 -5.554 362 2HA GLY 54 HA1 GLY 54 66.856 -6.395 -6.121 363 H SER 55 HN SER 55 64.947 -5.404 -3.285 364 HA SER 55 HA SER 55 66.949 -6.664 -1.515 365 1HB SER 55 HB2 SER 55 66.875 -4.310 -0.286 366 2HB SER 55 HB1 SER 55 67.985 -4.598 -1.623 367 HG SER 55 HG SER 55 65.395 -3.727 -2.211 368 H ARG 56 HN ARG 56 65.744 -7.739 0.000 369 HA ARG 56 HA ARG 56 62.931 -6.981 0.497 370 1HB ARG 56 HB2 ARG 56 64.409 -9.326 0.393 371 2HB ARG 56 HB1 ARG 56 64.171 -9.092 2.126 372 1HG ARG 56 HG2 ARG 56 61.745 -8.549 0.579 373 2HG ARG 56 HG1 ARG 56 62.321 -10.202 0.373 374 1HD ARG 56 HD2 ARG 56 62.613 -9.953 3.062 375 2HD ARG 56 HD1 ARG 56 61.212 -8.894 2.791 376 HE ARG 56 HE ARG 56 60.955 -11.336 1.270 377 1HH1 ARG 56 HH1 ARG 56 61.627 -11.482 4.444 378 2HH1 ARG 56 HH1 ARG 56 60.053 -11.962 4.990 379 1HH2 ARG 56 HH2 ARG 56 58.514 -11.301 1.951 380 2HH2 ARG 56 HH2 ARG 56 58.290 -11.858 3.577 381 H ILE 57 HN ILE 57 62.858 -5.135 1.839 382 HA ILE 57 HA ILE 57 64.687 -4.942 4.145 383 HB ILE 57 HB ILE 57 62.455 -3.156 3.134 384 1HG1 ILE 57 HG12 ILE 57 64.995 -2.008 2.719 385 2HG1 ILE 57 HG11 ILE 57 65.151 -3.686 2.204 386 1HG2 ILE 57 HG21 ILE 57 63.681 -1.421 4.485 387 2HG2 ILE 57 HG22 ILE 57 64.677 -2.717 5.141 388 3HG2 ILE 57 HG23 ILE 57 62.948 -2.687 5.471 389 1HD1 ILE 57 HD1 ILE 57 63.625 -1.491 0.984 390 2HD1 ILE 57 HD1 ILE 57 62.709 -2.990 1.150 391 3HD1 ILE 57 HD1 ILE 57 64.229 -2.980 0.259 392 H SER 58 HN SER 58 62.212 -6.875 3.752 393 HA SER 58 HA SER 58 60.127 -6.422 5.512 394 1HB SER 58 HB2 SER 58 61.752 -8.750 4.653 395 2HB SER 58 HB1 SER 58 60.798 -9.003 6.111 396 HG SER 58 HG SER 58 59.443 -9.477 4.465 397 H GLY 59 HN GLY 59 59.880 -6.334 7.772 398 1HA GLY 59 HA2 GLY 59 61.653 -7.336 9.716 399 2HA GLY 59 HA1 GLY 59 62.192 -5.696 9.364 400 HA PRO 60 HA PRO 60 58.407 -5.886 12.276 401 1HB PRO 60 HB2 PRO 60 59.701 -5.769 14.694 402 2HB PRO 60 HB1 PRO 60 59.224 -7.294 13.920 403 1HG PRO 60 HG2 PRO 60 61.884 -5.956 13.987 404 2HG PRO 60 HG1 PRO 60 61.484 -7.676 14.123 405 1HD PRO 60 HD2 PRO 60 62.426 -6.552 11.839 406 2HD PRO 60 HD1 PRO 60 61.335 -7.956 11.848 407 H GLY 61 HN GLY 61 61.077 -4.019 11.508 408 1HA GLY 61 HA2 GLY 61 59.833 -1.518 11.886 409 2HA GLY 61 HA1 GLY 61 60.828 -1.808 13.314 410 H CYS 62 HN CYS 62 61.665 -3.006 10.111 411 HA CYS 62 HA CYS 62 64.338 -2.196 10.127 412 1HB CYS 62 HB2 CYS 62 62.469 -3.350 8.372 413 2HB CYS 62 HB1 CYS 62 63.148 -1.984 7.485 414 H LYS 63 HN LYS 63 65.318 -0.227 10.028 415 HA LYS 63 HA LYS 63 63.683 2.133 9.152 416 1HB LYS 63 HB2 LYS 63 64.327 2.097 11.518 417 2HB LYS 63 HB1 LYS 63 66.017 1.840 11.069 418 1HG LYS 63 HG2 LYS 63 65.741 4.030 9.690 419 2HG LYS 63 HG1 LYS 63 64.331 4.311 10.720 420 1HD LYS 63 HD2 LYS 63 65.901 5.279 12.083 421 2HD LYS 63 HD1 LYS 63 66.135 3.609 12.605 422 1HE LYS 63 HE2 LYS 63 67.719 3.837 10.303 423 2HE LYS 63 HE1 LYS 63 67.993 5.349 11.194 424 1HZ LYS 63 HZ1 LYS 63 68.221 3.992 13.234 425 2HZ LYS 63 HZ2 LYS 63 69.440 3.681 12.090 426 3HZ LYS 63 HZ3 LYS 63 68.150 2.592 12.283 427 H ILE 64 HN ILE 64 64.410 3.154 7.314 428 HA ILE 64 HA ILE 64 67.315 2.960 6.643 429 HB ILE 64 HB ILE 64 65.030 2.547 4.700 430 1HG1 ILE 64 HG12 ILE 64 66.633 0.572 6.323 431 2HG1 ILE 64 HG11 ILE 64 64.888 0.670 6.144 432 1HG2 ILE 64 HG21 ILE 64 67.633 3.231 4.223 433 2HG2 ILE 64 HG22 ILE 64 66.613 2.339 3.092 434 3HG2 ILE 64 HG23 ILE 64 67.715 1.469 4.159 435 1HD1 ILE 64 HD1 ILE 64 65.127 0.072 3.739 436 2HD1 ILE 64 HD1 ILE 64 65.744 -1.190 4.805 437 3HD1 ILE 64 HD1 ILE 64 66.865 -0.106 3.981 438 H SER 65 HN SER 65 68.074 4.800 5.442 439 HA SER 65 HA SER 65 66.093 6.924 4.801 440 1HB SER 65 HB2 SER 65 67.263 8.532 6.191 441 2HB SER 65 HB1 SER 65 66.860 7.135 7.183 442 HG SER 65 HG SER 65 69.182 8.148 6.978 443 H THR 66 HN THR 66 66.599 7.101 2.653 444 HA THR 66 HA THR 66 67.865 7.500 0.712 445 HB THR 66 HB THR 66 69.748 8.907 2.596 446 HG1 THR 66 HG1 THR 66 68.245 10.335 3.029 447 1HG2 THR 66 HG21 THR 66 69.390 8.774 -0.218 448 2HG2 THR 66 HG22 THR 66 70.495 9.815 0.682 449 3HG2 THR 66 HG23 THR 66 68.870 10.382 0.293 450 H CYS 67 HN CYS 67 68.449 5.080 0.864 451 HA CYS 67 HA CYS 67 71.434 4.836 1.093 452 1HB CYS 67 HB2 CYS 67 70.026 3.766 2.950 453 2HB CYS 67 HB1 CYS 67 69.407 2.669 1.716 454 H ILE 68 HN ILE 68 72.216 4.386 -0.940 455 HA ILE 68 HA ILE 68 70.757 3.834 -3.253 456 HB ILE 68 HB ILE 68 73.537 3.244 -2.284 457 1HG1 ILE 68 HG12 ILE 68 74.107 4.864 -4.033 458 2HG1 ILE 68 HG11 ILE 68 72.432 4.886 -4.582 459 1HG2 ILE 68 HG21 ILE 68 73.649 2.761 -5.008 460 2HG2 ILE 68 HG22 ILE 68 72.183 1.911 -4.522 461 3HG2 ILE 68 HG23 ILE 68 73.723 1.526 -3.752 462 1HD1 ILE 68 HD1 ILE 68 73.288 5.647 -1.779 463 2HD1 ILE 68 HD1 ILE 68 71.687 5.844 -2.493 464 3HD1 ILE 68 HD1 ILE 68 73.040 6.813 -3.078 465 H ILE 69 HN ILE 69 72.729 1.244 -1.804 466 HA ILE 69 HA ILE 69 72.265 -1.052 -1.507 467 HB ILE 69 HB ILE 69 69.377 -0.159 -1.651 468 1HG1 ILE 69 HG12 ILE 69 71.356 0.082 0.639 469 2HG1 ILE 69 HG11 ILE 69 70.558 1.407 -0.205 470 1HG2 ILE 69 HG21 ILE 69 69.614 -2.548 -1.461 471 2HG2 ILE 69 HG22 ILE 69 69.192 -1.944 0.142 472 3HG2 ILE 69 HG23 ILE 69 70.860 -2.380 -0.224 473 1HD1 ILE 69 HD1 ILE 69 69.610 0.419 2.093 474 2HD1 ILE 69 HD1 ILE 69 68.814 -0.695 0.982 475 3HD1 ILE 69 HD1 ILE 69 68.545 1.043 0.835 476 H THR 70 HN THR 70 72.080 -2.777 -2.978 477 HA THR 70 HA THR 70 70.344 -2.599 -5.338 478 HB THR 70 HB THR 70 73.356 -2.303 -5.528 479 HG1 THR 70 HG1 THR 70 71.988 -0.455 -6.839 480 1HG2 THR 70 HG21 THR 70 71.359 -2.339 -7.799 481 2HG2 THR 70 HG22 THR 70 72.249 -3.774 -7.287 482 3HG2 THR 70 HG23 THR 70 73.120 -2.372 -7.906 483 H GLY 71 HN GLY 71 69.647 -4.754 -4.951 484 1HA GLY 71 HA2 GLY 71 69.908 -7.073 -5.550 485 2HA GLY 71 HA1 GLY 71 71.660 -6.848 -5.539 486 H GLY 72 HN GLY 72 69.798 -5.601 -2.893 487 1HA GLY 72 HA2 GLY 72 69.429 -6.486 -0.725 488 2HA GLY 72 HA1 GLY 72 70.200 -7.988 -1.222 489 H VAL 73 HN VAL 73 72.033 -5.339 -2.156 490 HA VAL 73 HA VAL 73 73.893 -5.698 0.171 491 HB VAL 73 HB VAL 73 75.620 -5.111 -1.480 492 1HG1 VAL 73 HG11 VAL 73 74.623 -6.954 -3.297 493 2HG1 VAL 73 HG12 VAL 73 73.746 -7.343 -1.816 494 3HG1 VAL 73 HG13 VAL 73 75.512 -7.346 -1.825 495 1HG2 VAL 73 HG21 VAL 73 73.220 -4.245 -2.995 496 2HG2 VAL 73 HG22 VAL 73 74.429 -5.105 -3.951 497 3HG2 VAL 73 HG23 VAL 73 74.877 -3.647 -3.069 498 HA PRO 74 HA PRO 74 72.790 -1.396 0.809 499 1HB PRO 74 HB2 PRO 74 74.142 -1.085 3.164 500 2HB PRO 74 HB1 PRO 74 72.562 -1.882 3.059 501 1HG PRO 74 HG2 PRO 74 75.256 -3.063 3.368 502 2HG PRO 74 HG1 PRO 74 73.694 -3.629 3.976 503 1HD PRO 74 HD2 PRO 74 75.026 -4.661 1.768 504 2HD PRO 74 HD1 PRO 74 73.300 -4.873 2.118 505 H ALA 75 HN ALA 75 73.876 0.215 -0.249 506 HA ALA 75 HA ALA 75 76.787 0.029 -0.659 507 1HB ALA 75 HB1 ALA 75 76.266 1.242 -2.507 508 2HB ALA 75 HB2 ALA 75 75.382 2.437 -1.558 509 3HB ALA 75 HB3 ALA 75 74.582 0.952 -2.074 510 HA PRO 76 HA PRO 76 77.692 2.692 2.745 511 1HB PRO 76 HB2 PRO 76 80.250 3.344 2.031 512 2HB PRO 76 HB1 PRO 76 79.808 1.761 2.704 513 1HG PRO 76 HG2 PRO 76 80.295 2.542 -0.128 514 2HG PRO 76 HG1 PRO 76 80.744 1.060 0.727 515 1HD PRO 76 HD2 PRO 76 78.616 1.230 -0.967 516 2HD PRO 76 HD1 PRO 76 78.697 0.093 0.397 517 H SER 77 HN SER 77 76.253 4.470 2.185 518 HA SER 77 HA SER 77 77.565 6.639 0.575 519 1HB SER 77 HB2 SER 77 75.309 5.317 -0.052 520 2HB SER 77 HB1 SER 77 74.615 6.547 1.001 521 HG SER 77 HG SER 77 74.831 7.099 -1.294 522 H ALA 78 HN ALA 78 77.464 8.754 1.450 523 HA ALA 78 HA ALA 78 77.420 9.037 4.299 524 1HB ALA 78 HB1 ALA 78 76.914 11.510 2.914 525 2HB ALA 78 HB2 ALA 78 78.028 10.531 1.959 526 3HB ALA 78 HB3 ALA 78 78.425 10.943 3.626 527 H ALA 79 HN ALA 79 74.838 8.852 2.052 528 HA ALA 79 HA ALA 79 72.975 10.342 3.851 529 1HB ALA 79 HB1 ALA 79 72.222 9.178 1.195 530 2HB ALA 79 HB2 ALA 79 73.333 10.546 1.223 531 3HB ALA 79 HB3 ALA 79 71.725 10.705 1.929 532 H CYS 80 HN CYS 80 73.870 7.129 2.888 533 HA CYS 80 HA CYS 80 71.338 5.817 3.427 534 1HB CYS 80 HB2 CYS 80 72.984 4.809 1.993 535 2HB CYS 80 HB1 CYS 80 74.229 4.955 3.217 536 H LYS 81 HN LYS 81 70.905 4.430 5.330 537 HA LYS 81 HA LYS 81 72.022 5.657 7.805 538 1HB LYS 81 HB2 LYS 81 69.925 5.258 8.692 539 2HB LYS 81 HB1 LYS 81 69.512 5.351 6.982 540 1HG LYS 81 HG2 LYS 81 70.073 2.787 8.499 541 2HG LYS 81 HG1 LYS 81 68.473 3.383 8.074 542 1HD LYS 81 HD2 LYS 81 68.920 3.157 5.724 543 2HD LYS 81 HD1 LYS 81 70.620 2.839 6.023 544 1HE LYS 81 HE2 LYS 81 69.419 0.900 7.556 545 2HE LYS 81 HE1 LYS 81 68.362 0.992 6.138 546 1HZ LYS 81 HZ1 LYS 81 70.641 1.161 4.903 547 2HZ LYS 81 HZ2 LYS 81 69.999 -0.354 5.327 548 3HZ LYS 81 HZ3 LYS 81 71.211 0.352 6.277 549 H ILE 82 HN ILE 82 72.347 2.717 6.053 550 HA ILE 82 HA ILE 82 72.945 0.493 6.758 551 HB ILE 82 HB ILE 82 75.062 2.266 7.998 552 1HG1 ILE 82 HG12 ILE 82 74.405 3.030 5.705 553 2HG1 ILE 82 HG11 ILE 82 76.053 2.408 5.773 554 1HG2 ILE 82 HG21 ILE 82 76.326 0.395 8.080 555 2HG2 ILE 82 HG22 ILE 82 75.872 -0.071 6.441 556 3HG2 ILE 82 HG23 ILE 82 74.835 -0.504 7.801 557 1HD1 ILE 82 HD1 ILE 82 74.926 1.497 3.806 558 2HD1 ILE 82 HD1 ILE 82 73.609 0.894 4.813 559 3HD1 ILE 82 HD1 ILE 82 75.223 0.202 4.967 560 H SER 83 HN SER 83 70.962 1.181 8.614 561 HA SER 83 HA SER 83 72.244 0.668 11.268 562 1HB SER 83 HB2 SER 83 69.509 1.723 10.496 563 2HB SER 83 HB1 SER 83 70.103 1.558 12.145 564 HG SER 83 HG SER 83 70.451 3.579 10.500 565 H GLY 84 HN GLY 84 69.863 -0.264 12.511 566 1HA GLY 84 HA2 GLY 84 70.055 -3.063 12.048 567 2HA GLY 84 HA1 GLY 84 68.773 -2.285 12.972 568 H CYS 85 HN CYS 85 69.630 -3.705 9.944 569 HA CYS 85 HA CYS 85 66.857 -3.988 9.192 570 1HB CYS 85 HB2 CYS 85 67.688 -1.529 8.727 571 2HB CYS 85 HB1 CYS 85 68.472 -2.263 7.335 572 H THR 86 HN THR 86 67.085 -4.501 6.488 573 HA THR 86 HA THR 86 69.503 -5.854 5.700 574 HB THR 86 HB THR 86 68.939 -7.364 7.505 575 HG1 THR 86 HG1 THR 86 69.267 -8.116 5.137 576 1HG2 THR 86 HG21 THR 86 66.799 -7.557 8.170 577 2HG2 THR 86 HG22 THR 86 66.430 -8.422 6.678 578 3HG2 THR 86 HG23 THR 86 66.268 -6.667 6.743 579 H PHE 87 HN PHE 87 69.194 -6.953 3.620 580 HA PHE 87 HA PHE 87 66.597 -6.198 2.313 581 1HB PHE 87 HB2 PHE 87 69.359 -6.466 1.101 582 2HB PHE 87 HB1 PHE 87 67.930 -5.784 0.330 583 HD1 PHE 87 HD1 PHE 87 70.713 -4.454 0.878 584 HD2 PHE 87 HD2 PHE 87 66.937 -4.366 2.917 585 HE1 PHE 87 HE1 PHE 87 71.270 -2.229 1.812 586 HE2 PHE 87 HE2 PHE 87 67.498 -2.142 3.862 587 HZ PHE 87 HZ PHE 87 69.664 -1.071 3.308 588 H SER 88 HN SER 88 69.328 -8.516 2.090 589 HA SER 88 HA SER 88 69.337 -10.800 1.484 590 1HB SER 88 HB2 SER 88 66.360 -10.549 2.017 591 2HB SER 88 HB1 SER 88 67.319 -12.024 2.070 592 HG SER 88 HG SER 88 66.841 -10.805 4.121 593 H ALA 89 HN ALA 89 68.263 -8.417 -0.362 594 HA ALA 89 HA ALA 89 67.649 -8.221 -2.630 595 1HB ALA 89 HB1 ALA 89 69.448 -10.288 -2.297 596 2HB ALA 89 HB2 ALA 89 68.933 -9.641 -3.856 597 3HB ALA 89 HB3 ALA 89 68.140 -11.070 -3.188 598 H ASN 90 HN ASN 90 65.517 -8.057 -3.174 599 HA ASN 90 HA ASN 90 63.844 -10.501 -3.305 600 1HB ASN 90 HB2 ASN 90 63.387 -9.915 -1.082 601 2HB ASN 90 HB1 ASN 90 63.499 -8.187 -1.398 602 1HD2 ASN 90 HD2 ASN 90 61.410 -7.426 -0.919 603 2HD2 ASN 90 HD2 ASN 90 59.985 -8.065 -1.584 Start of MODEL 12 1 1H ASP 1 HT1 ASP 1 44.866 6.292 1.413 2 2H ASP 1 HT2 ASP 1 45.009 7.705 0.480 3 3H ASP 1 HT3 ASP 1 44.660 7.811 2.139 4 HA ASP 1 HA ASP 1 46.819 7.853 2.650 5 1HB ASP 1 HB2 ASP 1 46.811 5.345 0.938 6 2HB ASP 1 HB1 ASP 1 48.165 5.839 1.955 7 H GLY 2 HN GLY 2 46.939 6.590 -0.703 8 1HA GLY 2 HA2 GLY 2 47.911 9.137 -1.744 9 2HA GLY 2 HA1 GLY 2 49.170 7.905 -1.642 10 H SER 3 HN SER 3 48.877 8.531 -4.127 11 HA SER 3 HA SER 3 47.040 6.470 -5.299 12 1HB SER 3 HB2 SER 3 47.734 9.223 -6.373 13 2HB SER 3 HB1 SER 3 46.618 8.077 -7.111 14 HG SER 3 HG SER 3 45.163 8.872 -5.838 15 H CYS 4 HN CYS 4 49.742 5.928 -4.665 16 HA CYS 4 HA CYS 4 51.465 6.402 -6.977 17 1HB CYS 4 HB2 CYS 4 51.801 4.326 -4.802 18 2HB CYS 4 HB1 CYS 4 53.060 5.190 -5.682 19 H THR 5 HN THR 5 50.199 3.385 -5.529 20 HA THR 5 HA THR 5 49.279 1.468 -6.573 21 HB THR 5 HB THR 5 49.769 2.823 -9.224 22 HG1 THR 5 HG1 THR 5 47.781 3.862 -8.893 23 1HG2 THR 5 HG21 THR 5 48.713 0.394 -8.582 24 2HG2 THR 5 HG22 THR 5 48.281 1.304 -10.030 25 3HG2 THR 5 HG23 THR 5 47.262 1.396 -8.593 26 H ASN 6 HN ASN 6 52.366 2.806 -7.309 27 HA ASN 6 HA ASN 6 54.312 1.831 -8.285 28 1HB ASN 6 HB2 ASN 6 54.937 -0.067 -6.917 29 2HB ASN 6 HB1 ASN 6 53.984 1.024 -5.911 30 1HD2 ASN 6 HD2 ASN 6 52.073 0.193 -4.988 31 2HD2 ASN 6 HD2 ASN 6 51.433 -1.336 -5.350 32 H THR 7 HN THR 7 52.062 1.502 -10.065 33 HA THR 7 HA THR 7 51.647 0.285 -12.058 34 HB THR 7 HB THR 7 53.686 -1.750 -11.245 35 HG1 THR 7 HG1 THR 7 55.186 0.005 -12.106 36 1HG2 THR 7 HG21 THR 7 53.996 -1.953 -13.500 37 2HG2 THR 7 HG22 THR 7 53.803 -0.224 -13.786 38 3HG2 THR 7 HG23 THR 7 52.382 -1.244 -13.561 39 H ASN 8 HN ASN 8 50.220 -0.315 -9.527 40 HA ASN 8 HA ASN 8 48.682 -2.552 -10.275 41 1HB ASN 8 HB2 ASN 8 50.444 -4.064 -10.102 42 2HB ASN 8 HB1 ASN 8 51.228 -3.159 -8.806 43 1HD2 ASN 8 HD2 ASN 8 50.002 -3.183 -6.646 44 2HD2 ASN 8 HD2 ASN 8 49.139 -4.576 -6.237 45 H SER 9 HN SER 9 50.224 -1.087 -7.416 46 HA SER 9 HA SER 9 49.227 -0.115 -5.507 47 1HB SER 9 HB2 SER 9 47.216 -0.148 -7.521 48 2HB SER 9 HB1 SER 9 46.459 -0.697 -6.033 49 HG SER 9 HG SER 9 47.133 1.169 -5.030 50 H GLN 10 HN GLN 10 50.076 -1.884 -4.219 51 HA GLN 10 HA GLN 10 47.959 -3.842 -3.408 52 1HB GLN 10 HB2 GLN 10 50.392 -4.331 -4.760 53 2HB GLN 10 HB1 GLN 10 50.655 -4.846 -3.093 54 1HG GLN 10 HG2 GLN 10 48.562 -6.171 -3.190 55 2HG GLN 10 HG1 GLN 10 48.369 -5.711 -4.883 56 1HE2 GLN 10 HE21 GLN 10 49.363 -7.069 -6.391 57 2HE2 GLN 10 HE22 GLN 10 50.566 -8.208 -6.023 58 H LEU 11 HN LEU 11 49.260 -1.188 -2.377 59 HA LEU 11 HA LEU 11 50.835 -1.394 -0.153 60 1HB LEU 11 HB2 LEU 11 48.349 0.148 -0.788 61 2HB LEU 11 HB1 LEU 11 49.037 0.297 0.826 62 HG LEU 11 HG LEU 11 50.042 2.036 -0.404 63 1HD1 LEU 11 HD1 LEU 11 51.595 0.062 0.652 64 2HD1 LEU 11 HD1 LEU 11 52.218 1.593 0.035 65 3HD1 LEU 11 HD1 LEU 11 52.228 0.158 -0.992 66 1HD2 LEU 11 HD2 LEU 11 50.527 1.993 -2.653 67 2HD2 LEU 11 HD2 LEU 11 49.319 0.709 -2.623 68 3HD2 LEU 11 HD2 LEU 11 51.036 0.305 -2.613 69 H SER 12 HN SER 12 50.762 -3.249 1.072 70 HA SER 12 HA SER 12 48.186 -4.255 2.119 71 1HB SER 12 HB2 SER 12 50.894 -5.190 1.678 72 2HB SER 12 HB1 SER 12 50.382 -5.561 3.322 73 HG SER 12 HG SER 12 49.157 -6.271 0.869 74 H ALA 13 HN ALA 13 47.949 -4.573 4.520 75 HA ALA 13 HA ALA 13 47.837 -3.587 6.672 76 1HB ALA 13 HB1 ALA 13 49.999 -4.654 6.801 77 2HB ALA 13 HB2 ALA 13 50.178 -3.049 7.510 78 3HB ALA 13 HB3 ALA 13 50.752 -3.359 5.872 79 H ASN 14 HN ASN 14 49.392 -1.382 7.670 80 HA ASN 14 HA ASN 14 47.983 0.833 6.315 81 1HB ASN 14 HB2 ASN 14 48.371 1.979 8.353 82 2HB ASN 14 HB1 ASN 14 48.119 0.304 8.835 83 1HD2 ASN 14 HD2 ASN 14 50.928 -0.369 7.710 84 2HD2 ASN 14 HD2 ASN 14 51.984 0.181 8.916 85 H SER 15 HN SER 15 49.840 0.129 4.489 86 HA SER 15 HA SER 15 52.493 1.111 4.760 87 1HB SER 15 HB2 SER 15 52.536 0.856 2.406 88 2HB SER 15 HB1 SER 15 51.294 -0.280 2.923 89 HG SER 15 HG SER 15 49.785 1.494 2.540 90 H LYS 16 HN LYS 16 52.946 3.043 2.879 91 HA LYS 16 HA LYS 16 51.158 5.353 3.357 92 1HB LYS 16 HB2 LYS 16 53.003 4.881 5.226 93 2HB LYS 16 HB1 LYS 16 54.051 5.691 4.061 94 1HG LYS 16 HG2 LYS 16 52.341 7.561 3.975 95 2HG LYS 16 HG1 LYS 16 51.536 6.787 5.340 96 1HD LYS 16 HD2 LYS 16 53.407 7.109 6.767 97 2HD LYS 16 HD1 LYS 16 54.473 7.486 5.413 98 1HE LYS 16 HE2 LYS 16 52.974 9.518 4.971 99 2HE LYS 16 HE1 LYS 16 52.259 9.203 6.565 100 1HZ LYS 16 HZ1 LYS 16 54.237 9.569 7.638 101 2HZ LYS 16 HZ2 LYS 16 54.379 10.687 6.367 102 3HZ LYS 16 HZ3 LYS 16 55.183 9.192 6.282 103 H CYS 17 HN CYS 17 51.467 6.979 1.754 104 HA CYS 17 HA CYS 17 53.589 6.397 -0.288 105 1HB CYS 17 HB2 CYS 17 50.728 6.326 -0.452 106 2HB CYS 17 HB1 CYS 17 51.311 7.645 -1.468 107 H GLU 18 HN GLU 18 54.030 8.358 -1.684 108 HA GLU 18 HA GLU 18 53.259 11.013 -0.867 109 1HB GLU 18 HB2 GLU 18 55.252 9.628 0.686 110 2HB GLU 18 HB1 GLU 18 56.012 10.993 -0.131 111 1HG GLU 18 HG2 GLU 18 54.089 12.427 0.702 112 2HG GLU 18 HG1 GLU 18 53.604 11.056 1.702 113 H LYS 19 HN LYS 19 55.825 12.248 -1.497 114 HA LYS 19 HA LYS 19 55.728 12.073 -4.403 115 1HB LYS 19 HB2 LYS 19 56.537 13.881 -2.433 116 2HB LYS 19 HB1 LYS 19 58.042 13.409 -3.223 117 1HG LYS 19 HG2 LYS 19 55.574 14.602 -4.504 118 2HG LYS 19 HG1 LYS 19 57.206 15.270 -4.471 119 1HD LYS 19 HD2 LYS 19 57.750 12.917 -5.652 120 2HD LYS 19 HD1 LYS 19 56.079 13.108 -6.182 121 1HE LYS 19 HE2 LYS 19 56.547 15.021 -7.426 122 2HE LYS 19 HE1 LYS 19 57.948 15.451 -6.426 123 1HZ LYS 19 HZ1 LYS 19 57.772 13.595 -8.649 124 2HZ LYS 19 HZ2 LYS 19 58.655 13.030 -7.313 125 3HZ LYS 19 HZ3 LYS 19 59.102 14.479 -8.080 126 H SER 20 HN SER 20 56.304 9.516 -3.678 127 HA SER 20 HA SER 20 59.269 9.216 -4.000 128 1HB SER 20 HB2 SER 20 57.978 8.294 -1.980 129 2HB SER 20 HB1 SER 20 57.247 7.150 -3.101 130 HG SER 20 HG SER 20 59.372 6.474 -3.642 131 H THR 21 HN THR 21 59.861 7.210 -5.325 132 HA THR 21 HA THR 21 58.094 7.069 -7.734 133 HB THR 21 HB THR 21 60.834 5.930 -7.740 134 HG1 THR 21 HG1 THR 21 61.271 8.450 -8.037 135 1HG2 THR 21 HG21 THR 21 59.427 6.209 -9.769 136 2HG2 THR 21 HG22 THR 21 60.930 7.125 -9.875 137 3HG2 THR 21 HG23 THR 21 59.418 7.952 -9.500 138 H LEU 22 HN LEU 22 56.698 5.345 -7.417 139 HA LEU 22 HA LEU 22 57.825 2.796 -6.327 140 1HB LEU 22 HB2 LEU 22 55.127 4.120 -6.439 141 2HB LEU 22 HB1 LEU 22 55.232 2.376 -6.206 142 HG LEU 22 HG LEU 22 55.156 3.494 -4.032 143 1HD1 LEU 22 HD1 LEU 22 56.943 2.339 -3.045 144 2HD1 LEU 22 HD1 LEU 22 58.031 2.679 -4.391 145 3HD1 LEU 22 HD1 LEU 22 56.743 1.490 -4.578 146 1HD2 LEU 22 HD2 LEU 22 57.811 4.767 -4.381 147 2HD2 LEU 22 HD2 LEU 22 56.394 5.341 -3.501 148 3HD2 LEU 22 HD2 LEU 22 56.483 5.534 -5.252 149 H THR 23 HN THR 23 57.587 0.875 -7.511 150 HA THR 23 HA THR 23 56.038 0.793 -10.002 151 HB THR 23 HB THR 23 59.055 0.525 -10.119 152 HG1 THR 23 HG1 THR 23 58.963 2.602 -11.078 153 1HG2 THR 23 HG21 THR 23 58.681 0.701 -12.536 154 2HG2 THR 23 HG22 THR 23 56.947 0.880 -12.265 155 3HG2 THR 23 HG23 THR 23 57.749 -0.640 -11.867 156 H ASN 24 HN ASN 24 55.181 -1.230 -9.878 157 HA ASN 24 HA ASN 24 55.007 -3.554 -9.510 158 1HB ASN 24 HB2 ASN 24 57.877 -3.002 -10.172 159 2HB ASN 24 HB1 ASN 24 57.451 -4.618 -9.613 160 1HD2 ASN 24 HD2 ASN 24 58.257 -4.791 -12.121 161 2HD2 ASN 24 HD2 ASN 24 56.983 -4.822 -13.243 162 H CYS 25 HN CYS 25 54.543 -2.446 -7.194 163 HA CYS 25 HA CYS 25 56.242 -3.942 -5.242 164 1HB CYS 25 HB2 CYS 25 56.022 -1.056 -5.651 165 2HB CYS 25 HB1 CYS 25 55.610 -1.521 -4.003 166 H TYR 26 HN TYR 26 55.137 -3.923 -3.038 167 HA TYR 26 HA TYR 26 52.155 -3.788 -3.279 168 1HB TYR 26 HB2 TYR 26 53.690 -5.845 -1.675 169 2HB TYR 26 HB1 TYR 26 52.008 -5.912 -2.199 170 HD1 TYR 26 HD1 TYR 26 55.120 -7.277 -2.806 171 HD2 TYR 26 HD2 TYR 26 51.820 -5.525 -4.924 172 HE1 TYR 26 HE1 TYR 26 55.810 -8.470 -4.868 173 HE2 TYR 26 HE2 TYR 26 52.509 -6.717 -6.986 174 HH TYR 26 HH TYR 26 54.133 -9.182 -7.224 175 H VAL 27 HN VAL 27 54.993 -3.818 -1.194 176 HA VAL 27 HA VAL 27 55.406 -2.893 0.935 177 HB VAL 27 HB VAL 27 53.432 -0.822 -0.011 178 1HG1 VAL 27 HG11 VAL 27 55.626 0.480 0.920 179 2HG1 VAL 27 HG12 VAL 27 55.694 -0.988 1.897 180 3HG1 VAL 27 HG13 VAL 27 54.256 0.032 1.937 181 1HG2 VAL 27 HG21 VAL 27 56.062 -1.651 -1.172 182 2HG2 VAL 27 HG22 VAL 27 55.701 0.073 -1.097 183 3HG2 VAL 27 HG23 VAL 27 54.630 -1.013 -1.983 184 H ASP 28 HN ASP 28 54.574 -3.897 2.715 185 HA ASP 28 HA ASP 28 51.631 -3.855 3.181 186 1HB ASP 28 HB2 ASP 28 53.972 -5.359 4.387 187 2HB ASP 28 HB1 ASP 28 52.318 -5.529 4.965 188 H LYS 29 HN LYS 29 53.968 -4.036 5.783 189 HA LYS 29 HA LYS 29 52.788 -1.587 6.983 190 1HB LYS 29 HB2 LYS 29 53.934 -4.108 7.850 191 2HB LYS 29 HB1 LYS 29 54.727 -2.760 8.666 192 1HG LYS 29 HG2 LYS 29 52.023 -2.070 8.694 193 2HG LYS 29 HG1 LYS 29 52.030 -3.802 9.033 194 1HD LYS 29 HD2 LYS 29 54.162 -2.703 10.529 195 2HD LYS 29 HD1 LYS 29 52.788 -1.622 10.765 196 1HE LYS 29 HE2 LYS 29 51.392 -3.429 11.541 197 2HE LYS 29 HE1 LYS 29 52.603 -4.638 11.068 198 1HZ LYS 29 HZ1 LYS 29 53.380 -2.435 12.852 199 2HZ LYS 29 HZ2 LYS 29 54.039 -3.994 12.721 200 3HZ LYS 29 HZ3 LYS 29 52.549 -3.762 13.504 201 H SER 30 HN SER 30 54.064 -0.421 5.107 202 HA SER 30 HA SER 30 56.762 0.314 6.187 203 1HB SER 30 HB2 SER 30 56.231 0.197 3.244 204 2HB SER 30 HB1 SER 30 57.739 -0.061 4.111 205 HG SER 30 HG SER 30 57.226 -2.095 4.396 206 H GLU 31 HN GLU 31 57.475 2.316 4.582 207 HA GLU 31 HA GLU 31 55.137 4.176 4.344 208 1HB GLU 31 HB2 GLU 31 57.492 4.259 6.132 209 2HB GLU 31 HB1 GLU 31 57.144 5.777 5.303 210 1HG GLU 31 HG2 GLU 31 54.729 5.497 6.055 211 2HG GLU 31 HG1 GLU 31 55.292 4.184 7.090 212 H VAL 32 HN VAL 32 58.695 4.374 3.964 213 HA VAL 32 HA VAL 32 59.997 4.870 2.049 214 HB VAL 32 HB VAL 32 57.450 4.643 0.445 215 1HG1 VAL 32 HG11 VAL 32 58.859 4.121 -1.307 216 2HG1 VAL 32 HG12 VAL 32 60.069 3.388 -0.253 217 3HG1 VAL 32 HG13 VAL 32 59.943 5.144 -0.364 218 1HG2 VAL 32 HG21 VAL 32 58.562 2.650 2.243 219 2HG2 VAL 32 HG22 VAL 32 58.646 2.095 0.572 220 3HG2 VAL 32 HG23 VAL 32 57.096 2.566 1.267 221 H TYR 33 HN TYR 33 60.474 6.779 0.819 222 HA TYR 33 HA TYR 33 58.424 8.959 0.901 223 1HB TYR 33 HB2 TYR 33 61.223 8.875 2.023 224 2HB TYR 33 HB1 TYR 33 60.478 10.411 1.582 225 HD1 TYR 33 HD1 TYR 33 60.362 7.536 3.871 226 HD2 TYR 33 HD2 TYR 33 58.517 11.257 2.780 227 HE1 TYR 33 HE1 TYR 33 59.110 7.541 6.011 228 HE2 TYR 33 HE2 TYR 33 57.264 11.263 4.920 229 HH TYR 33 HH TYR 33 57.154 10.312 6.986 230 H GLY 34 HN GLY 34 61.674 8.025 -0.301 231 1HA GLY 34 HA2 GLY 34 60.938 9.248 -2.920 232 2HA GLY 34 HA1 GLY 34 62.470 9.691 -2.164 233 H THR 35 HN THR 35 61.419 6.455 -1.635 234 HA THR 35 HA THR 35 63.756 5.326 -2.883 235 HB THR 35 HB THR 35 61.120 4.181 -1.918 236 HG1 THR 35 HG1 THR 35 63.701 4.516 -0.823 237 1HG2 THR 35 HG21 THR 35 61.912 2.503 -3.351 238 2HG2 THR 35 HG22 THR 35 62.603 2.045 -1.794 239 3HG2 THR 35 HG23 THR 35 63.601 2.866 -2.995 240 H THR 36 HN THR 36 63.693 3.761 -4.710 241 HA THR 36 HA THR 36 61.607 4.483 -6.747 242 HB THR 36 HB THR 36 64.462 3.627 -7.272 243 HG1 THR 36 HG1 THR 36 64.440 6.117 -7.644 244 1HG2 THR 36 HG21 THR 36 62.244 4.915 -8.847 245 2HG2 THR 36 HG22 THR 36 63.212 3.499 -9.258 246 3HG2 THR 36 HG23 THR 36 63.927 5.110 -9.338 247 H CYS 37 HN CYS 37 60.683 2.452 -5.418 248 HA CYS 37 HA CYS 37 61.592 -0.147 -5.526 249 1HB CYS 37 HB2 CYS 37 59.468 0.349 -4.563 250 2HB CYS 37 HB1 CYS 37 58.874 1.069 -6.057 251 H THR 38 HN THR 38 62.870 -0.704 -7.369 252 HA THR 38 HA THR 38 61.696 -0.381 -10.070 253 HB THR 38 HB THR 38 64.294 -1.665 -9.166 254 HG1 THR 38 HG1 THR 38 64.956 0.575 -10.000 255 1HG2 THR 38 HG21 THR 38 63.108 -1.725 -11.626 256 2HG2 THR 38 HG22 THR 38 64.852 -1.794 -11.367 257 3HG2 THR 38 HG23 THR 38 64.078 -0.256 -11.751 258 H GLY 39 HN GLY 39 60.733 -2.329 -7.846 259 1HA GLY 39 HA2 GLY 39 59.407 -4.293 -8.792 260 2HA GLY 39 HA1 GLY 39 60.952 -4.845 -9.441 261 H SER 40 HN SER 40 60.118 -3.474 -6.247 262 HA SER 40 HA SER 40 61.155 -6.003 -5.013 263 1HB SER 40 HB2 SER 40 62.309 -4.629 -3.422 264 2HB SER 40 HB1 SER 40 62.643 -3.928 -5.001 265 HG SER 40 HG SER 40 61.992 -2.373 -3.419 266 H ARG 41 HN ARG 41 60.600 -5.090 -2.338 267 HA ARG 41 HA ARG 41 57.814 -4.274 -2.092 268 1HB ARG 41 HB2 ARG 41 57.063 -6.545 -1.292 269 2HB ARG 41 HB1 ARG 41 57.490 -6.507 -3.003 270 1HG ARG 41 HG2 ARG 41 59.537 -7.613 -2.646 271 2HG ARG 41 HG1 ARG 41 59.545 -7.234 -0.924 272 1HD ARG 41 HD2 ARG 41 57.213 -8.666 -1.132 273 2HD ARG 41 HD1 ARG 41 58.235 -9.473 -2.338 274 HE ARG 41 HE ARG 41 59.957 -9.740 -0.549 275 1HH1 ARG 41 HH2 ARG 41 57.862 -7.748 0.962 276 2HH1 ARG 41 HH2 ARG 41 57.511 -8.776 2.313 277 1HH2 ARG 41 HH1 ARG 41 59.028 -11.567 0.922 278 2HH2 ARG 41 HH1 ARG 41 58.171 -10.936 2.290 279 H PHE 42 HN PHE 42 57.212 -4.061 0.167 280 HA PHE 42 HA PHE 42 59.491 -4.470 2.082 281 1HB PHE 42 HB2 PHE 42 57.353 -2.343 2.282 282 2HB PHE 42 HB1 PHE 42 58.939 -2.369 3.051 283 HD1 PHE 42 HD1 PHE 42 57.358 -0.445 0.898 284 HD2 PHE 42 HD2 PHE 42 60.705 -3.135 0.820 285 HE1 PHE 42 HE1 PHE 42 58.308 0.793 -1.026 286 HE2 PHE 42 HE2 PHE 42 61.655 -1.895 -1.106 287 HZ PHE 42 HZ PHE 42 60.454 0.068 -2.030 288 H ASP 43 HN ASP 43 58.364 -4.136 4.453 289 HA ASP 43 HA ASP 43 55.713 -5.107 4.880 290 1HB ASP 43 HB2 ASP 43 57.266 -7.028 3.760 291 2HB ASP 43 HB1 ASP 43 57.608 -7.322 5.465 292 H GLY 44 HN GLY 44 56.816 -3.145 6.227 293 1HA GLY 44 HA2 GLY 44 56.692 -2.844 8.682 294 2HA GLY 44 HA1 GLY 44 57.598 -4.347 8.847 295 H VAL 45 HN VAL 45 58.110 -1.393 6.859 296 HA VAL 45 HA VAL 45 60.789 -1.158 8.187 297 HB VAL 45 HB VAL 45 61.874 -1.129 6.120 298 1HG1 VAL 45 HG11 VAL 45 60.966 -2.946 4.744 299 2HG1 VAL 45 HG12 VAL 45 59.403 -2.787 5.548 300 3HG1 VAL 45 HG13 VAL 45 60.812 -3.338 6.458 301 1HG2 VAL 45 HG21 VAL 45 59.275 -0.028 5.127 302 2HG2 VAL 45 HG22 VAL 45 60.336 -0.832 3.970 303 3HG2 VAL 45 HG23 VAL 45 60.913 0.571 4.872 304 H THR 46 HN THR 46 61.715 1.063 6.907 305 HA THR 46 HA THR 46 59.687 3.186 6.817 306 HB THR 46 HB THR 46 61.784 3.107 9.012 307 HG1 THR 46 HG1 THR 46 60.028 2.677 10.363 308 1HG2 THR 46 HG21 THR 46 59.891 4.902 9.780 309 2HG2 THR 46 HG22 THR 46 59.838 5.108 8.029 310 3HG2 THR 46 HG23 THR 46 61.354 5.343 8.900 311 H ILE 47 HN ILE 47 61.319 2.499 4.776 312 HA ILE 47 HA ILE 47 63.869 3.958 4.865 313 HB ILE 47 HB ILE 47 63.522 1.799 3.688 314 1HG1 ILE 47 HG12 ILE 47 64.047 4.059 1.732 315 2HG1 ILE 47 HG11 ILE 47 65.232 3.476 2.902 316 1HG2 ILE 47 HG21 ILE 47 62.219 2.579 1.334 317 2HG2 ILE 47 HG22 ILE 47 61.252 3.279 2.632 318 3HG2 ILE 47 HG23 ILE 47 61.562 1.544 2.602 319 1HD1 ILE 47 HD1 ILE 47 64.335 2.257 0.376 320 2HD1 ILE 47 HD1 ILE 47 64.400 1.133 1.733 321 3HD1 ILE 47 HD1 ILE 47 65.843 2.030 1.262 322 H THR 48 HN THR 48 64.306 5.541 3.012 323 HA THR 48 HA THR 48 61.881 7.152 2.325 324 HB THR 48 HB THR 48 63.277 9.163 2.930 325 HG1 THR 48 HG1 THR 48 65.256 7.784 2.756 326 1HG2 THR 48 HG21 THR 48 63.406 8.062 5.505 327 2HG2 THR 48 HG22 THR 48 62.108 7.183 4.698 328 3HG2 THR 48 HG23 THR 48 62.049 8.942 4.802 329 H THR 49 HN THR 49 64.343 9.039 1.417 330 HA THR 49 HA THR 49 64.192 8.323 -1.374 331 HB THR 49 HB THR 49 65.998 10.137 0.251 332 HG1 THR 49 HG1 THR 49 64.583 11.706 -0.496 333 1HG2 THR 49 HG21 THR 49 67.221 9.787 -1.724 334 2HG2 THR 49 HG22 THR 49 66.270 11.228 -2.091 335 3HG2 THR 49 HG23 THR 49 65.764 9.656 -2.711 336 H SER 50 HN SER 50 64.909 5.957 -0.907 337 HA SER 50 HA SER 50 67.899 5.809 -1.112 338 1HB SER 50 HB2 SER 50 65.923 4.103 0.427 339 2HB SER 50 HB1 SER 50 67.600 3.633 0.167 340 HG SER 50 HG SER 50 66.553 5.380 1.939 341 H THR 51 HN THR 51 68.616 4.549 -2.831 342 HA THR 51 HA THR 51 66.540 3.319 -4.567 343 HB THR 51 HB THR 51 69.266 3.154 -5.501 344 HG1 THR 51 HG1 THR 51 69.650 5.421 -5.491 345 1HG2 THR 51 HG21 THR 51 66.765 3.627 -6.532 346 2HG2 THR 51 HG22 THR 51 68.275 3.839 -7.418 347 3HG2 THR 51 HG23 THR 51 67.512 5.221 -6.632 348 H SER 52 HN SER 52 66.156 1.172 -4.229 349 HA SER 52 HA SER 52 68.461 -0.574 -3.427 350 1HB SER 52 HB2 SER 52 65.581 -1.085 -2.703 351 2HB SER 52 HB1 SER 52 67.036 -1.667 -1.900 352 HG SER 52 HG SER 52 66.069 1.004 -1.995 353 H THR 53 HN THR 53 68.711 -2.436 -4.689 354 HA THR 53 HA THR 53 66.629 -2.869 -6.811 355 HB THR 53 HB THR 53 69.469 -3.818 -7.000 356 HG1 THR 53 HG1 THR 53 68.717 -1.208 -7.736 357 1HG2 THR 53 HG21 THR 53 68.160 -4.436 -8.858 358 2HG2 THR 53 HG22 THR 53 68.973 -2.968 -9.401 359 3HG2 THR 53 HG23 THR 53 67.292 -2.901 -8.869 360 H GLY 54 HN GLY 54 65.554 -4.791 -6.678 361 1HA GLY 54 HA2 GLY 54 64.956 -6.905 -5.812 362 2HA GLY 54 HA1 GLY 54 66.581 -7.337 -6.348 363 H SER 55 HN SER 55 65.390 -5.249 -3.703 364 HA SER 55 HA SER 55 66.978 -6.944 -1.805 365 1HB SER 55 HB2 SER 55 67.327 -4.660 -0.650 366 2HB SER 55 HB1 SER 55 68.203 -4.936 -2.152 367 HG SER 55 HG SER 55 66.762 -3.678 -3.224 368 H ARG 56 HN ARG 56 65.944 -7.401 0.140 369 HA ARG 56 HA ARG 56 63.083 -6.601 0.352 370 1HB ARG 56 HB2 ARG 56 64.408 -8.993 0.554 371 2HB ARG 56 HB1 ARG 56 64.287 -8.526 2.249 372 1HG ARG 56 HG2 ARG 56 61.925 -8.435 2.179 373 2HG ARG 56 HG1 ARG 56 61.895 -8.396 0.415 374 1HD ARG 56 HD2 ARG 56 61.715 -10.652 0.392 375 2HD ARG 56 HD1 ARG 56 63.285 -10.771 1.212 376 HE ARG 56 HE ARG 56 61.088 -10.040 3.000 377 1HH1 ARG 56 HH1 ARG 56 63.637 -11.711 3.526 378 2HH1 ARG 56 HH1 ARG 56 62.932 -13.260 3.847 379 1HH2 ARG 56 HH2 ARG 56 59.833 -12.416 2.541 380 2HH2 ARG 56 HH2 ARG 56 60.778 -13.659 3.290 381 H ILE 57 HN ILE 57 63.091 -4.573 1.397 382 HA ILE 57 HA ILE 57 64.884 -4.051 3.661 383 HB ILE 57 HB ILE 57 62.546 -2.551 2.434 384 1HG1 ILE 57 HG12 ILE 57 65.096 -1.311 2.059 385 2HG1 ILE 57 HG11 ILE 57 65.240 -3.003 1.582 386 1HG2 ILE 57 HG21 ILE 57 64.241 -0.741 3.699 387 2HG2 ILE 57 HG22 ILE 57 64.149 -2.086 4.836 388 3HG2 ILE 57 HG23 ILE 57 62.674 -1.279 4.303 389 1HD1 ILE 57 HD1 ILE 57 64.482 -1.451 -0.267 390 2HD1 ILE 57 HD1 ILE 57 62.995 -1.198 0.647 391 3HD1 ILE 57 HD1 ILE 57 63.398 -2.806 0.044 392 H SER 58 HN SER 58 62.303 -6.016 3.454 393 HA SER 58 HA SER 58 60.450 -5.231 5.447 394 1HB SER 58 HB2 SER 58 61.472 -7.783 4.272 395 2HB SER 58 HB1 SER 58 60.471 -7.896 5.717 396 HG SER 58 HG SER 58 58.978 -7.818 4.181 397 H GLY 59 HN GLY 59 60.311 -6.092 7.715 398 1HA GLY 59 HA2 GLY 59 62.213 -7.349 9.238 399 2HA GLY 59 HA1 GLY 59 62.865 -5.717 9.098 400 HA PRO 60 HA PRO 60 59.390 -6.067 12.325 401 1HB PRO 60 HB2 PRO 60 60.853 -6.549 14.586 402 2HB PRO 60 HB1 PRO 60 60.160 -7.846 13.591 403 1HG PRO 60 HG2 PRO 60 62.952 -6.824 13.690 404 2HG PRO 60 HG1 PRO 60 62.363 -8.483 13.503 405 1HD PRO 60 HD2 PRO 60 63.284 -6.959 11.430 406 2HD PRO 60 HD1 PRO 60 62.103 -8.274 11.241 407 H GLY 61 HN GLY 61 60.418 -3.807 11.211 408 1HA GLY 61 HA2 GLY 61 60.145 -1.582 12.391 409 2HA GLY 61 HA1 GLY 61 61.342 -2.174 13.543 410 H CYS 62 HN CYS 62 61.871 -3.103 10.276 411 HA CYS 62 HA CYS 62 64.449 -2.120 9.998 412 1HB CYS 62 HB2 CYS 62 62.553 -3.387 8.440 413 2HB CYS 62 HB1 CYS 62 62.799 -1.871 7.572 414 H LYS 63 HN LYS 63 65.373 -0.108 9.613 415 HA LYS 63 HA LYS 63 63.585 2.154 8.804 416 1HB LYS 63 HB2 LYS 63 63.703 2.151 11.240 417 2HB LYS 63 HB1 LYS 63 65.460 2.004 11.187 418 1HG LYS 63 HG2 LYS 63 65.765 4.213 10.699 419 2HG LYS 63 HG1 LYS 63 64.331 4.287 9.675 420 1HD LYS 63 HD2 LYS 63 63.602 3.800 12.444 421 2HD LYS 63 HD1 LYS 63 64.564 5.270 12.292 422 1HE LYS 63 HE2 LYS 63 62.795 5.384 10.121 423 2HE LYS 63 HE1 LYS 63 61.808 4.809 11.479 424 1HZ LYS 63 HZ1 LYS 63 63.243 7.325 11.167 425 2HZ LYS 63 HZ2 LYS 63 63.303 6.617 12.710 426 3HZ LYS 63 HZ3 LYS 63 61.804 6.997 12.004 427 H ILE 64 HN ILE 64 64.567 3.072 7.017 428 HA ILE 64 HA ILE 64 67.556 3.268 7.019 429 HB ILE 64 HB ILE 64 65.850 2.574 4.619 430 1HG1 ILE 64 HG12 ILE 64 67.441 0.647 6.332 431 2HG1 ILE 64 HG11 ILE 64 65.699 0.868 6.496 432 1HG2 ILE 64 HG21 ILE 64 67.971 3.395 3.938 433 2HG2 ILE 64 HG22 ILE 64 68.140 1.640 3.903 434 3HG2 ILE 64 HG23 ILE 64 68.804 2.563 5.251 435 1HD1 ILE 64 HD1 ILE 64 67.246 -0.425 4.308 436 2HD1 ILE 64 HD1 ILE 64 65.829 0.511 3.832 437 3HD1 ILE 64 HD1 ILE 64 65.659 -0.835 4.958 438 H SER 65 HN SER 65 68.345 4.903 5.437 439 HA SER 65 HA SER 65 66.410 6.913 4.470 440 1HB SER 65 HB2 SER 65 68.596 7.862 6.293 441 2HB SER 65 HB1 SER 65 67.035 8.604 5.951 442 HG SER 65 HG SER 65 66.793 7.713 7.924 443 H THR 66 HN THR 66 67.199 7.216 2.411 444 HA THR 66 HA THR 66 68.745 7.523 0.651 445 HB THR 66 HB THR 66 70.578 8.600 2.789 446 HG1 THR 66 HG1 THR 66 68.459 10.094 1.710 447 1HG2 THR 66 HG21 THR 66 70.270 8.807 -0.095 448 2HG2 THR 66 HG22 THR 66 71.620 9.312 0.922 449 3HG2 THR 66 HG23 THR 66 70.252 10.396 0.670 450 H CYS 67 HN CYS 67 69.120 5.200 0.419 451 HA CYS 67 HA CYS 67 71.911 4.421 1.098 452 1HB CYS 67 HB2 CYS 67 69.369 3.050 2.014 453 2HB CYS 67 HB1 CYS 67 70.899 2.187 1.913 454 H ILE 68 HN ILE 68 72.426 4.250 -1.142 455 HA ILE 68 HA ILE 68 70.683 3.049 -3.102 456 HB ILE 68 HB ILE 68 73.627 3.709 -2.905 457 1HG1 ILE 68 HG12 ILE 68 73.006 5.383 -4.614 458 2HG1 ILE 68 HG11 ILE 68 71.350 4.777 -4.608 459 1HG2 ILE 68 HG21 ILE 68 73.709 3.190 -5.372 460 2HG2 ILE 68 HG22 ILE 68 72.134 2.412 -5.201 461 3HG2 ILE 68 HG23 ILE 68 73.535 1.766 -4.345 462 1HD1 ILE 68 HD1 ILE 68 72.716 5.805 -2.113 463 2HD1 ILE 68 HD1 ILE 68 70.997 5.493 -2.354 464 3HD1 ILE 68 HD1 ILE 68 71.772 6.845 -3.178 465 H ILE 69 HN ILE 69 70.009 0.974 -2.393 466 HA ILE 69 HA ILE 69 72.138 -1.013 -1.769 467 HB ILE 69 HB ILE 69 69.124 -1.036 -1.411 468 1HG1 ILE 69 HG12 ILE 69 71.006 -0.915 0.890 469 2HG1 ILE 69 HG11 ILE 69 70.870 0.549 -0.085 470 1HG2 ILE 69 HG21 ILE 69 69.346 -3.056 -0.253 471 2HG2 ILE 69 HG22 ILE 69 71.070 -2.820 0.028 472 3HG2 ILE 69 HG23 ILE 69 70.491 -3.269 -1.575 473 1HD1 ILE 69 HD1 ILE 69 68.622 -0.938 1.298 474 2HD1 ILE 69 HD1 ILE 69 68.362 0.369 0.142 475 3HD1 ILE 69 HD1 ILE 69 69.206 0.687 1.657 476 H THR 70 HN THR 70 71.917 -3.186 -2.763 477 HA THR 70 HA THR 70 70.188 -3.530 -5.107 478 HB THR 70 HB THR 70 73.170 -3.023 -5.323 479 HG1 THR 70 HG1 THR 70 72.548 -1.187 -6.124 480 1HG2 THR 70 HG21 THR 70 73.135 -3.780 -7.547 481 2HG2 THR 70 HG22 THR 70 71.374 -3.726 -7.634 482 3HG2 THR 70 HG23 THR 70 72.172 -4.992 -6.702 483 H GLY 71 HN GLY 71 69.604 -5.631 -4.607 484 1HA GLY 71 HA2 GLY 71 69.984 -7.989 -4.606 485 2HA GLY 71 HA1 GLY 71 71.722 -7.682 -4.561 486 H GLY 72 HN GLY 72 69.758 -5.926 -2.348 487 1HA GLY 72 HA2 GLY 72 69.269 -6.316 -0.056 488 2HA GLY 72 HA1 GLY 72 70.079 -7.873 -0.168 489 H VAL 73 HN VAL 73 71.889 -5.377 -1.553 490 HA VAL 73 HA VAL 73 73.602 -5.194 0.912 491 HB VAL 73 HB VAL 73 75.467 -5.136 -0.642 492 1HG1 VAL 73 HG11 VAL 73 73.477 -7.264 -0.690 493 2HG1 VAL 73 HG12 VAL 73 75.236 -7.385 -0.645 494 3HG1 VAL 73 HG13 VAL 73 74.403 -7.211 -2.190 495 1HG2 VAL 73 HG21 VAL 73 74.517 -5.509 -3.176 496 2HG2 VAL 73 HG22 VAL 73 74.967 -3.934 -2.520 497 3HG2 VAL 73 HG23 VAL 73 73.277 -4.443 -2.509 498 HA PRO 74 HA PRO 74 72.857 -0.834 0.433 499 1HB PRO 74 HB2 PRO 74 74.531 0.022 2.410 500 2HB PRO 74 HB1 PRO 74 72.958 -0.724 2.742 501 1HG PRO 74 HG2 PRO 74 75.675 -1.860 2.990 502 2HG PRO 74 HG1 PRO 74 74.207 -2.224 3.907 503 1HD PRO 74 HD2 PRO 74 75.283 -3.771 1.843 504 2HD PRO 74 HD1 PRO 74 73.645 -3.916 2.514 505 H ALA 75 HN ALA 75 74.043 1.020 -0.399 506 HA ALA 75 HA ALA 75 76.461 0.306 -1.911 507 1HB ALA 75 HB1 ALA 75 74.472 2.515 -1.740 508 2HB ALA 75 HB2 ALA 75 75.106 1.687 -3.161 509 3HB ALA 75 HB3 ALA 75 76.064 2.937 -2.368 510 HA PRO 76 HA PRO 76 79.401 2.068 0.834 511 1HB PRO 76 HB2 PRO 76 81.213 3.132 -0.919 512 2HB PRO 76 HB1 PRO 76 81.034 1.386 -0.658 513 1HG PRO 76 HG2 PRO 76 80.024 3.080 -2.880 514 2HG PRO 76 HG1 PRO 76 80.646 1.424 -2.914 515 1HD PRO 76 HD2 PRO 76 77.981 2.070 -3.001 516 2HD PRO 76 HD1 PRO 76 78.614 0.517 -2.416 517 H SER 77 HN SER 77 77.224 3.748 0.765 518 HA SER 77 HA SER 77 78.257 6.470 0.093 519 1HB SER 77 HB2 SER 77 75.589 5.148 0.415 520 2HB SER 77 HB1 SER 77 75.698 6.881 0.707 521 HG SER 77 HG SER 77 76.586 7.108 -1.367 522 H ALA 78 HN ALA 78 78.611 7.966 1.728 523 HA ALA 78 HA ALA 78 78.671 6.994 4.496 524 1HB ALA 78 HB1 ALA 78 79.539 9.402 4.795 525 2HB ALA 78 HB2 ALA 78 79.398 9.546 3.043 526 3HB ALA 78 HB3 ALA 78 80.486 8.349 3.744 527 H ALA 79 HN ALA 79 76.552 8.942 2.503 528 HA ALA 79 HA ALA 79 75.175 10.207 4.762 529 1HB ALA 79 HB1 ALA 79 73.629 10.351 2.410 530 2HB ALA 79 HB2 ALA 79 75.307 10.358 1.869 531 3HB ALA 79 HB3 ALA 79 74.746 11.573 3.016 532 H CYS 80 HN CYS 80 75.233 7.074 3.828 533 HA CYS 80 HA CYS 80 72.295 6.626 4.083 534 1HB CYS 80 HB2 CYS 80 73.157 5.458 2.239 535 2HB CYS 80 HB1 CYS 80 74.671 5.089 3.055 536 H LYS 81 HN LYS 81 71.515 5.110 5.697 537 HA LYS 81 HA LYS 81 73.243 5.012 8.124 538 1HB LYS 81 HB2 LYS 81 71.116 4.792 9.285 539 2HB LYS 81 HB1 LYS 81 70.975 6.099 8.108 540 1HG LYS 81 HG2 LYS 81 69.181 5.027 7.263 541 2HG LYS 81 HG1 LYS 81 70.287 3.779 6.688 542 1HD LYS 81 HD2 LYS 81 69.861 3.331 9.472 543 2HD LYS 81 HD1 LYS 81 68.283 3.569 8.722 544 1HE LYS 81 HE2 LYS 81 68.685 1.793 7.126 545 2HE LYS 81 HE1 LYS 81 70.379 1.668 7.623 546 1HZ LYS 81 HZ1 LYS 81 69.420 0.055 8.926 547 2HZ LYS 81 HZ2 LYS 81 67.954 0.901 9.089 548 3HZ LYS 81 HZ3 LYS 81 69.320 1.390 9.967 549 H ILE 82 HN ILE 82 72.157 2.970 9.511 550 HA ILE 82 HA ILE 82 71.648 0.518 8.146 551 HB ILE 82 HB ILE 82 74.165 1.430 7.641 552 1HG1 ILE 82 HG12 ILE 82 74.695 -0.994 7.131 553 2HG1 ILE 82 HG11 ILE 82 73.167 -1.413 7.907 554 1HG2 ILE 82 HG21 ILE 82 75.793 0.562 9.052 555 2HG2 ILE 82 HG22 ILE 82 74.713 -0.666 9.713 556 3HG2 ILE 82 HG23 ILE 82 74.550 1.016 10.218 557 1HD1 ILE 82 HD1 ILE 82 72.176 0.419 6.290 558 2HD1 ILE 82 HD1 ILE 82 72.499 -1.204 5.682 559 3HD1 ILE 82 HD1 ILE 82 73.638 0.102 5.356 560 H SER 83 HN SER 83 70.933 2.026 10.557 561 HA SER 83 HA SER 83 72.038 0.943 12.945 562 1HB SER 83 HB2 SER 83 69.505 2.285 12.084 563 2HB SER 83 HB1 SER 83 69.577 1.597 13.704 564 HG SER 83 HG SER 83 71.554 2.813 13.964 565 H GLY 84 HN GLY 84 68.634 0.271 12.490 566 1HA GLY 84 HA2 GLY 84 69.251 -2.643 12.786 567 2HA GLY 84 HA1 GLY 84 67.901 -1.859 13.604 568 H CYS 85 HN CYS 85 69.113 -2.829 10.414 569 HA CYS 85 HA CYS 85 66.282 -3.117 9.560 570 1HB CYS 85 HB2 CYS 85 67.579 -0.877 8.961 571 2HB CYS 85 HB1 CYS 85 68.262 -1.872 7.683 572 H THR 86 HN THR 86 67.113 -3.633 6.801 573 HA THR 86 HA THR 86 69.177 -5.540 6.504 574 HB THR 86 HB THR 86 68.153 -6.902 8.152 575 HG1 THR 86 HG1 THR 86 68.206 -8.541 6.877 576 1HG2 THR 86 HG21 THR 86 65.478 -6.623 6.775 577 2HG2 THR 86 HG22 THR 86 65.977 -5.545 8.077 578 3HG2 THR 86 HG23 THR 86 65.810 -7.273 8.380 579 H PHE 87 HN PHE 87 69.170 -6.399 4.386 580 HA PHE 87 HA PHE 87 66.878 -5.496 2.669 581 1HB PHE 87 HB2 PHE 87 69.701 -5.933 1.722 582 2HB PHE 87 HB1 PHE 87 68.461 -4.897 1.027 583 HD1 PHE 87 HD1 PHE 87 71.434 -4.297 1.966 584 HD2 PHE 87 HD2 PHE 87 67.545 -3.632 3.679 585 HE1 PHE 87 HE1 PHE 87 72.328 -2.389 3.275 586 HE2 PHE 87 HE2 PHE 87 68.446 -1.720 4.984 587 HZ PHE 87 HZ PHE 87 70.837 -1.102 4.780 588 H SER 88 HN SER 88 69.120 -8.107 3.438 589 HA SER 88 HA SER 88 69.166 -10.361 2.712 590 1HB SER 88 HB2 SER 88 66.263 -9.558 2.336 591 2HB SER 88 HB1 SER 88 66.830 -11.222 2.240 592 HG SER 88 HG SER 88 66.292 -9.722 4.404 593 H ALA 89 HN ALA 89 66.572 -9.624 0.481 594 HA ALA 89 HA ALA 89 67.697 -8.699 -1.845 595 1HB ALA 89 HB1 ALA 89 68.223 -11.246 -2.753 596 2HB ALA 89 HB2 ALA 89 68.783 -11.337 -1.083 597 3HB ALA 89 HB3 ALA 89 69.451 -10.118 -2.173 598 H ASN 90 HN ASN 90 65.254 -8.414 -1.557 599 HA ASN 90 HA ASN 90 63.388 -10.526 -1.902 600 1HB ASN 90 HB2 ASN 90 62.025 -8.747 -1.598 601 2HB ASN 90 HB1 ASN 90 63.446 -7.711 -1.632 602 1HD2 ASN 90 HD2 ASN 90 64.120 -6.961 -3.916 603 2HD2 ASN 90 HD2 ASN 90 62.890 -6.691 -5.052 Start of MODEL 13 1 1H ASP 1 HT1 ASP 1 45.594 8.234 4.390 2 2H ASP 1 HT2 ASP 1 46.033 6.639 4.778 3 3H ASP 1 HT3 ASP 1 44.703 6.934 3.762 4 HA ASP 1 HA ASP 1 46.020 7.522 1.958 5 1HB ASP 1 HB2 ASP 1 47.346 8.876 3.948 6 2HB ASP 1 HB1 ASP 1 48.551 7.678 3.472 7 H GLY 2 HN GLY 2 46.039 5.486 1.040 8 1HA GLY 2 HA2 GLY 2 48.273 3.784 1.175 9 2HA GLY 2 HA1 GLY 2 47.105 3.150 2.334 10 H SER 3 HN SER 3 46.666 4.657 -0.875 11 HA SER 3 HA SER 3 45.655 2.088 -1.952 12 1HB SER 3 HB2 SER 3 43.998 4.607 -1.615 13 2HB SER 3 HB1 SER 3 43.485 3.194 -2.534 14 HG SER 3 HG SER 3 44.171 2.139 -0.352 15 H CYS 4 HN CYS 4 47.861 2.990 -3.014 16 HA CYS 4 HA CYS 4 47.156 4.800 -5.293 17 1HB CYS 4 HB2 CYS 4 49.856 3.975 -4.172 18 2HB CYS 4 HB1 CYS 4 49.559 5.247 -5.357 19 H THR 5 HN THR 5 50.021 3.218 -5.961 20 HA THR 5 HA THR 5 48.992 0.682 -6.970 21 HB THR 5 HB THR 5 49.604 2.953 -8.895 22 HG1 THR 5 HG1 THR 5 47.585 3.369 -8.601 23 1HG2 THR 5 HG21 THR 5 49.813 1.385 -10.491 24 2HG2 THR 5 HG22 THR 5 48.270 0.665 -10.033 25 3HG2 THR 5 HG23 THR 5 49.756 0.149 -9.234 26 H ASN 6 HN ASN 6 51.459 3.226 -7.123 27 HA ASN 6 HA ASN 6 53.806 3.084 -7.334 28 1HB ASN 6 HB2 ASN 6 53.970 0.401 -6.167 29 2HB ASN 6 HB1 ASN 6 54.538 1.933 -5.518 30 1HD2 ASN 6 HD2 ASN 6 53.040 3.184 -4.161 31 2HD2 ASN 6 HD2 ASN 6 51.664 2.456 -3.485 32 H THR 7 HN THR 7 53.131 2.680 -9.754 33 HA THR 7 HA THR 7 53.481 1.473 -11.764 34 HB THR 7 HB THR 7 55.640 0.329 -9.956 35 HG1 THR 7 HG1 THR 7 56.874 2.000 -10.897 36 1HG2 THR 7 HG21 THR 7 56.364 -0.848 -11.729 37 2HG2 THR 7 HG22 THR 7 56.359 0.602 -12.735 38 3HG2 THR 7 HG23 THR 7 54.899 -0.379 -12.593 39 H ASN 8 HN ASN 8 51.457 0.405 -10.074 40 HA ASN 8 HA ASN 8 50.132 -1.559 -10.002 41 1HB ASN 8 HB2 ASN 8 51.942 -1.828 -12.175 42 2HB ASN 8 HB1 ASN 8 51.955 -3.364 -11.314 43 1HD2 ASN 8 HD2 ASN 8 50.690 -2.708 -13.977 44 2HD2 ASN 8 HD2 ASN 8 49.054 -3.120 -13.803 45 H SER 9 HN SER 9 50.690 -1.557 -7.666 46 HA SER 9 HA SER 9 52.415 -3.895 -6.954 47 1HB SER 9 HB2 SER 9 52.606 -1.023 -6.132 48 2HB SER 9 HB1 SER 9 53.028 -2.257 -4.949 49 HG SER 9 HG SER 9 54.127 -1.840 -7.532 50 H GLN 10 HN GLN 10 51.172 -1.725 -4.530 51 HA GLN 10 HA GLN 10 48.580 -2.778 -4.109 52 1HB GLN 10 HB2 GLN 10 49.058 -4.924 -3.568 53 2HB GLN 10 HB1 GLN 10 50.784 -4.593 -3.633 54 1HG GLN 10 HG2 GLN 10 50.931 -4.183 -1.356 55 2HG GLN 10 HG1 GLN 10 49.233 -3.723 -1.217 56 1HE2 GLN 10 HE21 GLN 10 50.949 -5.941 0.153 57 2HE2 GLN 10 HE22 GLN 10 50.002 -7.337 -0.039 58 H LEU 11 HN LEU 11 51.599 -1.980 -2.359 59 HA LEU 11 HA LEU 11 51.933 -0.601 -0.460 60 1HB LEU 11 HB2 LEU 11 51.185 0.941 -2.311 61 2HB LEU 11 HB1 LEU 11 49.539 0.797 -1.693 62 HG LEU 11 HG LEU 11 50.200 1.742 0.444 63 1HD1 LEU 11 HD1 LEU 11 52.975 1.566 -0.744 64 2HD1 LEU 11 HD1 LEU 11 52.389 0.858 0.762 65 3HD1 LEU 11 HD1 LEU 11 52.607 2.603 0.635 66 1HD2 LEU 11 HD2 LEU 11 49.840 3.725 -0.572 67 2HD2 LEU 11 HD2 LEU 11 50.512 3.120 -2.086 68 3HD2 LEU 11 HD2 LEU 11 51.576 3.827 -0.871 69 H SER 12 HN SER 12 51.239 -2.186 1.129 70 HA SER 12 HA SER 12 48.702 -2.953 1.921 71 1HB SER 12 HB2 SER 12 51.342 -2.730 3.045 72 2HB SER 12 HB1 SER 12 50.152 -2.339 4.280 73 HG SER 12 HG SER 12 49.081 -4.343 3.228 74 H ALA 13 HN ALA 13 47.187 -2.129 3.511 75 HA ALA 13 HA ALA 13 46.616 0.687 3.293 76 1HB ALA 13 HB1 ALA 13 44.706 -0.516 3.712 77 2HB ALA 13 HB2 ALA 13 45.130 -0.207 5.395 78 3HB ALA 13 HB3 ALA 13 45.568 -1.741 4.643 79 H ASN 14 HN ASN 14 48.850 -1.009 5.202 80 HA ASN 14 HA ASN 14 48.759 0.938 7.452 81 1HB ASN 14 HB2 ASN 14 48.919 -1.421 7.996 82 2HB ASN 14 HB1 ASN 14 50.284 -1.626 6.898 83 1HD2 ASN 14 HD2 ASN 14 52.264 -0.170 7.469 84 2HD2 ASN 14 HD2 ASN 14 52.600 0.045 9.119 85 H SER 15 HN SER 15 50.328 0.495 4.461 86 HA SER 15 HA SER 15 52.928 1.619 5.179 87 1HB SER 15 HB2 SER 15 52.356 0.042 3.266 88 2HB SER 15 HB1 SER 15 51.575 1.408 2.473 89 HG SER 15 HG SER 15 54.166 1.750 3.457 90 H LYS 16 HN LYS 16 53.214 3.500 3.055 91 HA LYS 16 HA LYS 16 51.214 5.627 3.679 92 1HB LYS 16 HB2 LYS 16 53.055 5.869 5.262 93 2HB LYS 16 HB1 LYS 16 54.232 5.781 3.950 94 1HG LYS 16 HG2 LYS 16 53.627 7.890 3.097 95 2HG LYS 16 HG1 LYS 16 52.077 7.886 3.939 96 1HD LYS 16 HD2 LYS 16 53.403 7.922 6.116 97 2HD LYS 16 HD1 LYS 16 54.830 8.260 5.136 98 1HE LYS 16 HE2 LYS 16 54.239 10.451 5.308 99 2HE LYS 16 HE1 LYS 16 52.925 10.068 4.179 100 1HZ LYS 16 HZ1 LYS 16 52.673 9.479 7.060 101 2HZ LYS 16 HZ2 LYS 16 51.445 9.665 5.902 102 3HZ LYS 16 HZ3 LYS 16 52.300 11.021 6.462 103 H CYS 17 HN CYS 17 50.964 7.137 1.976 104 HA CYS 17 HA CYS 17 52.576 6.611 -0.501 105 1HB CYS 17 HB2 CYS 17 50.031 5.840 -0.161 106 2HB CYS 17 HB1 CYS 17 49.727 7.512 -0.629 107 H GLU 18 HN GLU 18 53.894 8.498 0.127 108 HA GLU 18 HA GLU 18 52.474 11.087 -0.400 109 1HB GLU 18 HB2 GLU 18 52.831 10.983 1.954 110 2HB GLU 18 HB1 GLU 18 54.445 10.299 1.754 111 1HG GLU 18 HG2 GLU 18 55.380 12.339 1.129 112 2HG GLU 18 HG1 GLU 18 53.837 12.994 0.580 113 H LYS 19 HN LYS 19 53.336 10.853 -2.620 114 HA LYS 19 HA LYS 19 54.959 11.242 -4.295 115 1HB LYS 19 HB2 LYS 19 56.365 12.727 -2.064 116 2HB LYS 19 HB1 LYS 19 56.352 13.119 -3.785 117 1HG LYS 19 HG2 LYS 19 53.649 13.055 -3.069 118 2HG LYS 19 HG1 LYS 19 54.441 13.860 -1.714 119 1HD LYS 19 HD2 LYS 19 54.902 15.706 -2.940 120 2HD LYS 19 HD1 LYS 19 55.441 14.753 -4.324 121 1HE LYS 19 HE2 LYS 19 53.515 15.663 -5.242 122 2HE LYS 19 HE1 LYS 19 52.792 14.241 -4.465 123 1HZ LYS 19 HZ1 LYS 19 51.881 16.595 -3.910 124 2HZ LYS 19 HZ2 LYS 19 53.238 16.686 -2.893 125 3HZ LYS 19 HZ3 LYS 19 52.084 15.460 -2.667 126 H SER 20 HN SER 20 56.000 9.291 -4.723 127 HA SER 20 HA SER 20 58.652 8.886 -3.503 128 1HB SER 20 HB2 SER 20 57.156 7.839 -1.884 129 2HB SER 20 HB1 SER 20 56.334 6.956 -3.168 130 HG SER 20 HG SER 20 57.799 5.538 -2.427 131 H THR 21 HN THR 21 58.935 6.181 -4.357 132 HA THR 21 HA THR 21 58.184 6.105 -7.223 133 HB THR 21 HB THR 21 61.065 5.699 -6.749 134 HG1 THR 21 HG1 THR 21 60.761 7.404 -5.337 135 1HG2 THR 21 HG21 THR 21 60.260 7.770 -8.624 136 2HG2 THR 21 HG22 THR 21 59.344 6.284 -8.872 137 3HG2 THR 21 HG23 THR 21 61.106 6.256 -8.932 138 H LEU 22 HN LEU 22 57.068 4.143 -6.480 139 HA LEU 22 HA LEU 22 58.892 1.903 -5.691 140 1HB LEU 22 HB2 LEU 22 56.143 2.775 -5.058 141 2HB LEU 22 HB1 LEU 22 56.308 1.041 -5.335 142 HG LEU 22 HG LEU 22 57.974 0.835 -3.627 143 1HD1 LEU 22 HD1 LEU 22 58.734 2.893 -2.370 144 2HD1 LEU 22 HD1 LEU 22 57.947 3.864 -3.614 145 3HD1 LEU 22 HD1 LEU 22 59.295 2.809 -4.040 146 1HD2 LEU 22 HD2 LEU 22 55.872 2.775 -2.612 147 2HD2 LEU 22 HD2 LEU 22 56.757 1.590 -1.652 148 3HD2 LEU 22 HD2 LEU 22 55.596 1.052 -2.867 149 H THR 23 HN THR 23 59.432 0.627 -7.431 150 HA THR 23 HA THR 23 57.492 0.421 -9.700 151 HB THR 23 HB THR 23 60.434 -0.305 -9.486 152 HG1 THR 23 HG1 THR 23 59.311 1.862 -10.890 153 1HG2 THR 23 HG21 THR 23 59.119 0.228 -12.090 154 2HG2 THR 23 HG22 THR 23 58.670 -1.279 -11.293 155 3HG2 THR 23 HG23 THR 23 60.360 -0.954 -11.675 156 H ASN 24 HN ASN 24 56.254 -1.408 -9.698 157 HA ASN 24 HA ASN 24 55.607 -3.653 -9.354 158 1HB ASN 24 HB2 ASN 24 58.572 -3.654 -9.807 159 2HB ASN 24 HB1 ASN 24 57.797 -5.163 -9.328 160 1HD2 ASN 24 HD2 ASN 24 58.485 -5.816 -11.634 161 2HD2 ASN 24 HD2 ASN 24 57.426 -5.431 -12.904 162 H CYS 25 HN CYS 25 56.478 -1.808 -7.015 163 HA CYS 25 HA CYS 25 57.633 -3.521 -4.991 164 1HB CYS 25 HB2 CYS 25 57.203 -0.854 -5.286 165 2HB CYS 25 HB1 CYS 25 55.860 -1.255 -4.229 166 H TYR 26 HN TYR 26 55.619 -2.707 -2.976 167 HA TYR 26 HA TYR 26 53.047 -3.854 -3.458 168 1HB TYR 26 HB2 TYR 26 55.231 -5.682 -3.228 169 2HB TYR 26 HB1 TYR 26 54.303 -5.801 -1.734 170 HD1 TYR 26 HD1 TYR 26 51.823 -6.259 -1.845 171 HD2 TYR 26 HD2 TYR 26 54.377 -6.539 -5.289 172 HE1 TYR 26 HE1 TYR 26 50.092 -7.589 -3.023 173 HE2 TYR 26 HE2 TYR 26 52.644 -7.866 -6.466 174 HH TYR 26 HH TYR 26 49.856 -7.978 -6.108 175 H VAL 27 HN VAL 27 55.677 -3.780 -1.103 176 HA VAL 27 HA VAL 27 55.809 -2.968 1.098 177 HB VAL 27 HB VAL 27 53.668 -1.048 0.181 178 1HG1 VAL 27 HG11 VAL 27 54.410 -0.455 2.319 179 2HG1 VAL 27 HG12 VAL 27 55.477 0.499 1.289 180 3HG1 VAL 27 HG13 VAL 27 56.057 -1.005 2.007 181 1HG2 VAL 27 HG21 VAL 27 56.469 -1.424 -0.884 182 2HG2 VAL 27 HG22 VAL 27 55.761 0.190 -0.824 183 3HG2 VAL 27 HG23 VAL 27 54.988 -1.077 -1.776 184 H ASP 28 HN ASP 28 54.979 -3.986 2.857 185 HA ASP 28 HA ASP 28 52.021 -4.437 2.982 186 1HB ASP 28 HB2 ASP 28 53.896 -6.289 2.929 187 2HB ASP 28 HB1 ASP 28 54.066 -5.883 4.637 188 H LYS 29 HN LYS 29 54.798 -3.067 4.628 189 HA LYS 29 HA LYS 29 53.084 -1.573 6.467 190 1HB LYS 29 HB2 LYS 29 54.537 -4.076 7.242 191 2HB LYS 29 HB1 LYS 29 54.480 -2.761 8.413 192 1HG LYS 29 HG2 LYS 29 52.437 -3.511 8.996 193 2HG LYS 29 HG1 LYS 29 51.867 -2.920 7.433 194 1HD LYS 29 HD2 LYS 29 51.362 -5.059 6.929 195 2HD LYS 29 HD1 LYS 29 53.099 -5.358 6.842 196 1HE LYS 29 HE2 LYS 29 51.446 -5.565 9.385 197 2HE LYS 29 HE1 LYS 29 51.986 -6.945 8.407 198 1HZ LYS 29 HZ1 LYS 29 53.760 -6.760 9.808 199 2HZ LYS 29 HZ2 LYS 29 53.565 -5.087 10.032 200 3HZ LYS 29 HZ3 LYS 29 54.265 -5.679 8.602 201 H SER 30 HN SER 30 54.797 -0.410 4.743 202 HA SER 30 HA SER 30 57.152 0.334 6.447 203 1HB SER 30 HB2 SER 30 56.952 -0.413 3.536 204 2HB SER 30 HB1 SER 30 58.303 0.544 4.137 205 HG SER 30 HG SER 30 57.487 -2.058 4.913 206 H GLU 31 HN GLU 31 57.907 2.502 6.145 207 HA GLU 31 HA GLU 31 55.857 4.349 4.974 208 1HB GLU 31 HB2 GLU 31 56.796 4.222 7.495 209 2HB GLU 31 HB1 GLU 31 58.044 5.256 6.800 210 1HG GLU 31 HG2 GLU 31 56.021 6.589 5.803 211 2HG GLU 31 HG1 GLU 31 55.092 5.775 7.063 212 H VAL 32 HN VAL 32 56.651 4.437 2.819 213 HA VAL 32 HA VAL 32 59.521 4.964 2.354 214 HB VAL 32 HB VAL 32 57.210 4.792 0.404 215 1HG1 VAL 32 HG11 VAL 32 59.372 3.668 -0.793 216 2HG1 VAL 32 HG12 VAL 32 60.170 4.857 0.237 217 3HG1 VAL 32 HG13 VAL 32 58.963 5.377 -0.939 218 1HG2 VAL 32 HG21 VAL 32 57.010 2.598 0.887 219 2HG2 VAL 32 HG22 VAL 32 58.159 2.799 2.210 220 3HG2 VAL 32 HG23 VAL 32 58.734 2.364 0.598 221 H TYR 33 HN TYR 33 60.124 6.790 0.879 222 HA TYR 33 HA TYR 33 58.268 9.126 0.964 223 1HB TYR 33 HB2 TYR 33 60.953 8.772 2.259 224 2HB TYR 33 HB1 TYR 33 60.495 10.373 1.678 225 HD1 TYR 33 HD1 TYR 33 59.294 7.540 3.802 226 HD2 TYR 33 HD2 TYR 33 59.061 11.742 2.946 227 HE1 TYR 33 HE1 TYR 33 57.892 7.873 5.820 228 HE2 TYR 33 HE2 TYR 33 57.660 12.077 4.964 229 HH TYR 33 HH TYR 33 56.025 10.435 6.357 230 H GLY 34 HN GLY 34 61.291 7.699 -0.255 231 1HA GLY 34 HA2 GLY 34 60.798 8.860 -2.899 232 2HA GLY 34 HA1 GLY 34 62.221 9.513 -2.083 233 H THR 35 HN THR 35 61.186 6.194 -1.612 234 HA THR 35 HA THR 35 63.798 5.195 -2.442 235 HB THR 35 HB THR 35 61.178 3.968 -1.553 236 HG1 THR 35 HG1 THR 35 62.563 5.102 -0.059 237 1HG2 THR 35 HG21 THR 35 62.400 2.441 -3.115 238 2HG2 THR 35 HG22 THR 35 62.295 1.812 -1.471 239 3HG2 THR 35 HG23 THR 35 63.799 2.530 -2.045 240 H THR 36 HN THR 36 64.082 3.564 -4.140 241 HA THR 36 HA THR 36 62.205 3.974 -6.443 242 HB THR 36 HB THR 36 64.999 2.923 -6.712 243 HG1 THR 36 HG1 THR 36 65.363 5.406 -6.861 244 1HG2 THR 36 HG21 THR 36 64.298 5.077 -8.461 245 2HG2 THR 36 HG22 THR 36 62.946 3.947 -8.398 246 3HG2 THR 36 HG23 THR 36 64.550 3.379 -8.863 247 H CYS 37 HN CYS 37 61.327 2.082 -4.690 248 HA CYS 37 HA CYS 37 62.189 -0.512 -4.575 249 1HB CYS 37 HB2 CYS 37 59.949 0.661 -3.919 250 2HB CYS 37 HB1 CYS 37 59.384 0.093 -5.486 251 H THR 38 HN THR 38 63.337 -1.436 -6.294 252 HA THR 38 HA THR 38 62.040 -1.444 -8.990 253 HB THR 38 HB THR 38 64.839 -2.021 -7.975 254 HG1 THR 38 HG1 THR 38 63.532 0.067 -9.296 255 1HG2 THR 38 HG21 THR 38 64.536 -3.528 -9.792 256 2HG2 THR 38 HG22 THR 38 65.354 -2.125 -10.482 257 3HG2 THR 38 HG23 THR 38 63.620 -2.340 -10.721 258 H GLY 39 HN GLY 39 60.465 -3.101 -8.153 259 1HA GLY 39 HA2 GLY 39 59.754 -5.345 -8.251 260 2HA GLY 39 HA1 GLY 39 61.376 -5.784 -8.789 261 H SER 40 HN SER 40 59.685 -4.679 -5.835 262 HA SER 40 HA SER 40 60.938 -6.834 -4.276 263 1HB SER 40 HB2 SER 40 61.523 -3.992 -3.464 264 2HB SER 40 HB1 SER 40 62.362 -5.467 -2.997 265 HG SER 40 HG SER 40 62.435 -4.054 -5.438 266 H ARG 41 HN ARG 41 60.597 -5.240 -1.792 267 HA ARG 41 HA ARG 41 58.020 -4.106 -1.492 268 1HB ARG 41 HB2 ARG 41 57.038 -6.111 -2.282 269 2HB ARG 41 HB1 ARG 41 58.198 -7.120 -1.419 270 1HG ARG 41 HG2 ARG 41 57.217 -6.479 0.724 271 2HG ARG 41 HG1 ARG 41 56.115 -5.364 -0.084 272 1HD ARG 41 HD2 ARG 41 54.686 -7.166 -0.004 273 2HD ARG 41 HD1 ARG 41 55.584 -7.676 -1.447 274 HE ARG 41 HE ARG 41 57.164 -8.837 0.238 275 1HH1 ARG 41 HH1 ARG 41 54.082 -9.679 -0.228 276 2HH1 ARG 41 HH1 ARG 41 53.767 -10.322 1.349 277 1HH2 ARG 41 HH2 ARG 41 56.666 -9.027 2.744 278 2HH2 ARG 41 HH2 ARG 41 55.232 -9.955 3.032 279 H PHE 42 HN PHE 42 57.431 -3.895 0.804 280 HA PHE 42 HA PHE 42 59.688 -4.612 2.651 281 1HB PHE 42 HB2 PHE 42 57.860 -2.236 2.985 282 2HB PHE 42 HB1 PHE 42 59.498 -2.460 3.598 283 HD1 PHE 42 HD1 PHE 42 60.992 -3.362 1.261 284 HD2 PHE 42 HD2 PHE 42 57.910 -0.384 1.548 285 HE1 PHE 42 HE1 PHE 42 61.898 -2.231 -0.752 286 HE2 PHE 42 HE2 PHE 42 58.816 0.746 -0.465 287 HZ PHE 42 HZ PHE 42 60.810 -0.175 -1.615 288 H ASP 43 HN ASP 43 58.635 -4.108 5.063 289 HA ASP 43 HA ASP 43 55.878 -4.911 5.432 290 1HB ASP 43 HB2 ASP 43 56.853 -7.008 4.544 291 2HB ASP 43 HB1 ASP 43 58.061 -6.985 5.827 292 H GLY 44 HN GLY 44 57.062 -2.827 6.638 293 1HA GLY 44 HA2 GLY 44 56.741 -2.366 9.085 294 2HA GLY 44 HA1 GLY 44 57.679 -3.831 9.384 295 H VAL 45 HN VAL 45 58.278 -1.098 7.127 296 HA VAL 45 HA VAL 45 60.816 -0.635 8.647 297 HB VAL 45 HB VAL 45 62.101 -0.842 6.701 298 1HG1 VAL 45 HG11 VAL 45 61.173 -2.830 5.404 299 2HG1 VAL 45 HG12 VAL 45 59.750 -2.727 6.433 300 3HG1 VAL 45 HG13 VAL 45 61.331 -3.056 7.146 301 1HG2 VAL 45 HG21 VAL 45 61.307 0.503 5.044 302 2HG2 VAL 45 HG22 VAL 45 59.626 0.111 5.392 303 3HG2 VAL 45 HG23 VAL 45 60.609 -0.999 4.434 304 H THR 46 HN THR 46 61.865 1.376 7.125 305 HA THR 46 HA THR 46 59.832 3.477 6.685 306 HB THR 46 HB THR 46 61.987 3.719 8.806 307 HG1 THR 46 HG1 THR 46 59.939 3.669 10.137 308 1HG2 THR 46 HG21 THR 46 59.603 5.417 8.040 309 2HG2 THR 46 HG22 THR 46 61.304 5.863 7.937 310 3HG2 THR 46 HG23 THR 46 60.543 5.656 9.514 311 H ILE 47 HN ILE 47 61.369 2.568 4.689 312 HA ILE 47 HA ILE 47 63.976 3.917 4.566 313 HB ILE 47 HB ILE 47 63.479 1.673 3.610 314 1HG1 ILE 47 HG12 ILE 47 64.035 3.496 1.286 315 2HG1 ILE 47 HG11 ILE 47 65.170 3.440 2.635 316 1HG2 ILE 47 HG21 ILE 47 62.159 2.570 1.210 317 2HG2 ILE 47 HG22 ILE 47 61.206 3.045 2.616 318 3HG2 ILE 47 HG23 ILE 47 61.629 1.351 2.369 319 1HD1 ILE 47 HD1 ILE 47 64.880 0.810 2.296 320 2HD1 ILE 47 HD1 ILE 47 66.042 1.734 1.344 321 3HD1 ILE 47 HD1 ILE 47 64.474 1.313 0.654 322 H THR 48 HN THR 48 64.516 5.550 3.028 323 HA THR 48 HA THR 48 62.303 6.936 1.611 324 HB THR 48 HB THR 48 62.962 9.071 2.716 325 HG1 THR 48 HG1 THR 48 64.407 8.992 4.412 326 1HG2 THR 48 HG21 THR 48 61.659 8.714 4.583 327 2HG2 THR 48 HG22 THR 48 62.476 7.207 4.995 328 3HG2 THR 48 HG23 THR 48 61.287 7.238 3.693 329 H THR 49 HN THR 49 63.100 8.186 -0.163 330 HA THR 49 HA THR 49 64.626 8.547 -1.946 331 HB THR 49 HB THR 49 65.887 10.287 -1.218 332 HG1 THR 49 HG1 THR 49 67.735 9.423 -0.757 333 1HG2 THR 49 HG21 THR 49 65.420 11.136 0.934 334 2HG2 THR 49 HG22 THR 49 65.278 9.518 1.627 335 3HG2 THR 49 HG23 THR 49 64.017 10.134 0.554 336 H SER 50 HN SER 50 64.667 5.770 -0.879 337 HA SER 50 HA SER 50 67.563 5.077 -1.098 338 1HB SER 50 HB2 SER 50 66.380 4.133 0.786 339 2HB SER 50 HB1 SER 50 65.068 3.577 -0.251 340 HG SER 50 HG SER 50 67.767 2.696 -0.214 341 H THR 51 HN THR 51 68.325 4.259 -2.993 342 HA THR 51 HA THR 51 66.415 3.694 -5.190 343 HB THR 51 HB THR 51 69.427 3.569 -5.258 344 HG1 THR 51 HG1 THR 51 69.538 5.671 -5.093 345 1HG2 THR 51 HG21 THR 51 69.104 4.325 -7.554 346 2HG2 THR 51 HG22 THR 51 67.375 4.521 -7.274 347 3HG2 THR 51 HG23 THR 51 68.093 2.910 -7.262 348 H SER 52 HN SER 52 67.001 1.834 -2.790 349 HA SER 52 HA SER 52 68.477 -0.421 -3.276 350 1HB SER 52 HB2 SER 52 65.735 -1.113 -2.553 351 2HB SER 52 HB1 SER 52 67.199 -1.196 -1.577 352 HG SER 52 HG SER 52 66.138 0.388 -0.600 353 H THR 53 HN THR 53 68.647 -1.834 -4.974 354 HA THR 53 HA THR 53 66.378 -1.977 -6.925 355 HB THR 53 HB THR 53 69.160 -3.031 -7.379 356 HG1 THR 53 HG1 THR 53 69.699 -0.904 -8.078 357 1HG2 THR 53 HG21 THR 53 68.485 -3.099 -9.531 358 2HG2 THR 53 HG22 THR 53 67.835 -1.460 -9.455 359 3HG2 THR 53 HG23 THR 53 66.856 -2.824 -8.916 360 H GLY 54 HN GLY 54 65.120 -3.597 -5.872 361 1HA GLY 54 HA2 GLY 54 64.497 -5.842 -5.515 362 2HA GLY 54 HA1 GLY 54 66.024 -6.329 -6.256 363 H SER 55 HN SER 55 64.660 -5.025 -3.240 364 HA SER 55 HA SER 55 66.667 -6.613 -1.721 365 1HB SER 55 HB2 SER 55 66.812 -4.327 -0.350 366 2HB SER 55 HB1 SER 55 67.826 -4.610 -1.761 367 HG SER 55 HG SER 55 65.252 -3.477 -1.993 368 H ARG 56 HN ARG 56 65.399 -7.782 -0.307 369 HA ARG 56 HA ARG 56 62.692 -7.064 0.396 370 1HB ARG 56 HB2 ARG 56 64.370 -9.277 0.523 371 2HB ARG 56 HB1 ARG 56 64.137 -8.857 2.219 372 1HG ARG 56 HG2 ARG 56 61.820 -9.175 2.119 373 2HG ARG 56 HG1 ARG 56 61.769 -8.965 0.368 374 1HD ARG 56 HD2 ARG 56 63.242 -11.124 0.296 375 2HD ARG 56 HD1 ARG 56 62.643 -11.380 1.946 376 HE ARG 56 HE ARG 56 60.980 -11.346 -0.505 377 1HH1 ARG 56 HH1 ARG 56 60.965 -10.744 2.860 378 2HH1 ARG 56 HH1 ARG 56 59.478 -11.584 3.152 379 1HH2 ARG 56 HH2 ARG 56 59.174 -12.726 -0.108 380 2HH2 ARG 56 HH2 ARG 56 58.469 -12.709 1.474 381 H ILE 57 HN ILE 57 62.405 -5.167 1.579 382 HA ILE 57 HA ILE 57 64.336 -4.434 3.687 383 HB ILE 57 HB ILE 57 61.726 -3.083 2.955 384 1HG1 ILE 57 HG12 ILE 57 62.997 -3.569 0.870 385 2HG1 ILE 57 HG11 ILE 57 62.970 -1.842 1.226 386 1HG2 ILE 57 HG21 ILE 57 63.223 -1.062 3.471 387 2HG2 ILE 57 HG22 ILE 57 64.374 -2.224 4.128 388 3HG2 ILE 57 HG23 ILE 57 62.769 -2.073 4.842 389 1HD1 ILE 57 HD1 ILE 57 65.211 -3.082 2.558 390 2HD1 ILE 57 HD1 ILE 57 65.215 -1.784 1.365 391 3HD1 ILE 57 HD1 ILE 57 65.248 -3.467 0.837 392 H SER 58 HN SER 58 61.769 -6.529 3.515 393 HA SER 58 HA SER 58 59.970 -6.134 5.557 394 1HB SER 58 HB2 SER 58 61.380 -8.389 4.328 395 2HB SER 58 HB1 SER 58 60.851 -8.742 5.969 396 HG SER 58 HG SER 58 59.183 -9.214 4.544 397 H GLY 59 HN GLY 59 60.179 -5.577 7.711 398 1HA GLY 59 HA2 GLY 59 62.171 -6.830 9.410 399 2HA GLY 59 HA1 GLY 59 62.566 -5.147 9.074 400 HA PRO 60 HA PRO 60 59.042 -5.619 12.245 401 1HB PRO 60 HB2 PRO 60 60.354 -6.220 14.570 402 2HB PRO 60 HB1 PRO 60 59.686 -7.463 13.493 403 1HG PRO 60 HG2 PRO 60 62.493 -6.558 13.828 404 2HG PRO 60 HG1 PRO 60 61.859 -8.173 13.482 405 1HD PRO 60 HD2 PRO 60 62.981 -6.493 11.607 406 2HD PRO 60 HD1 PRO 60 61.863 -7.822 11.235 407 H GLY 61 HN GLY 61 59.395 -3.283 11.630 408 1HA GLY 61 HA2 GLY 61 59.461 -1.112 12.662 409 2HA GLY 61 HA1 GLY 61 60.487 -1.776 13.934 410 H CYS 62 HN CYS 62 61.390 -2.700 10.767 411 HA CYS 62 HA CYS 62 64.014 -1.838 10.802 412 1HB CYS 62 HB2 CYS 62 63.132 -3.246 9.061 413 2HB CYS 62 HB1 CYS 62 62.009 -1.994 8.533 414 H LYS 63 HN LYS 63 65.076 -0.017 9.609 415 HA LYS 63 HA LYS 63 63.457 2.456 9.289 416 1HB LYS 63 HB2 LYS 63 64.050 2.504 11.618 417 2HB LYS 63 HB1 LYS 63 65.701 1.981 11.268 418 1HG LYS 63 HG2 LYS 63 66.104 4.091 10.046 419 2HG LYS 63 HG1 LYS 63 64.464 4.618 10.422 420 1HD LYS 63 HD2 LYS 63 65.658 5.629 12.145 421 2HD LYS 63 HD1 LYS 63 65.187 4.108 12.904 422 1HE LYS 63 HE2 LYS 63 67.405 3.794 13.309 423 2HE LYS 63 HE1 LYS 63 67.570 3.489 11.569 424 1HZ LYS 63 HZ1 LYS 63 67.591 6.191 12.802 425 2HZ LYS 63 HZ2 LYS 63 67.886 5.813 11.171 426 3HZ LYS 63 HZ3 LYS 63 68.991 5.335 12.372 427 H ILE 64 HN ILE 64 64.125 3.078 7.220 428 HA ILE 64 HA ILE 64 67.069 3.038 6.709 429 HB ILE 64 HB ILE 64 64.816 2.336 4.815 430 1HG1 ILE 64 HG12 ILE 64 66.888 0.346 5.315 431 2HG1 ILE 64 HG11 ILE 64 66.031 0.792 6.791 432 1HG2 ILE 64 HG21 ILE 64 66.636 1.741 3.259 433 2HG2 ILE 64 HG22 ILE 64 67.825 2.306 4.433 434 3HG2 ILE 64 HG23 ILE 64 66.708 3.450 3.687 435 1HD1 ILE 64 HD1 ILE 64 64.613 0.076 4.217 436 2HD1 ILE 64 HD1 ILE 64 63.905 0.246 5.823 437 3HD1 ILE 64 HD1 ILE 64 64.982 -1.105 5.473 438 H SER 65 HN SER 65 67.827 4.702 5.230 439 HA SER 65 HA SER 65 65.932 6.804 4.385 440 1HB SER 65 HB2 SER 65 66.398 8.248 6.070 441 2HB SER 65 HB1 SER 65 67.099 6.871 6.913 442 HG SER 65 HG SER 65 68.313 9.042 5.964 443 H THR 66 HN THR 66 66.625 7.306 2.369 444 HA THR 66 HA THR 66 68.049 7.510 0.496 445 HB THR 66 HB THR 66 69.877 8.712 2.586 446 HG1 THR 66 HG1 THR 66 67.760 9.447 2.916 447 1HG2 THR 66 HG21 THR 66 69.909 8.566 -0.248 448 2HG2 THR 66 HG22 THR 66 70.982 9.502 0.796 449 3HG2 THR 66 HG23 THR 66 69.500 10.229 0.175 450 H CYS 67 HN CYS 67 68.335 5.044 0.705 451 HA CYS 67 HA CYS 67 71.242 4.417 1.203 452 1HB CYS 67 HB2 CYS 67 68.711 2.794 1.616 453 2HB CYS 67 HB1 CYS 67 70.326 2.096 1.689 454 H ILE 68 HN ILE 68 72.246 3.972 -0.739 455 HA ILE 68 HA ILE 68 70.623 3.276 -3.110 456 HB ILE 68 HB ILE 68 73.563 3.841 -2.622 457 1HG1 ILE 68 HG12 ILE 68 72.977 5.898 -3.971 458 2HG1 ILE 68 HG11 ILE 68 71.284 5.413 -3.862 459 1HG2 ILE 68 HG21 ILE 68 72.132 2.737 -4.954 460 2HG2 ILE 68 HG22 ILE 68 73.852 2.698 -4.568 461 3HG2 ILE 68 HG23 ILE 68 73.150 4.130 -5.318 462 1HD1 ILE 68 HD1 ILE 68 72.944 5.615 -1.368 463 2HD1 ILE 68 HD1 ILE 68 71.196 5.753 -1.552 464 3HD1 ILE 68 HD1 ILE 68 72.246 7.072 -2.077 465 H ILE 69 HN ILE 69 69.973 1.128 -2.414 466 HA ILE 69 HA ILE 69 72.162 -0.884 -2.188 467 HB ILE 69 HB ILE 69 69.177 -1.161 -1.727 468 1HG1 ILE 69 HG12 ILE 69 70.923 -0.992 0.625 469 2HG1 ILE 69 HG11 ILE 69 70.895 0.499 -0.316 470 1HG2 ILE 69 HG21 ILE 69 69.645 -3.217 -0.782 471 2HG2 ILE 69 HG22 ILE 69 71.283 -2.751 -0.322 472 3HG2 ILE 69 HG23 ILE 69 70.920 -3.158 -1.998 473 1HD1 ILE 69 HD1 ILE 69 68.506 -0.985 0.809 474 2HD1 ILE 69 HD1 ILE 69 68.384 0.386 -0.294 475 3HD1 ILE 69 HD1 ILE 69 69.098 0.600 1.306 476 H THR 70 HN THR 70 71.999 -2.860 -3.480 477 HA THR 70 HA THR 70 70.122 -2.874 -5.771 478 HB THR 70 HB THR 70 73.139 -2.636 -6.004 479 HG1 THR 70 HG1 THR 70 72.466 -0.763 -7.237 480 1HG2 THR 70 HG21 THR 70 71.695 -4.191 -7.625 481 2HG2 THR 70 HG22 THR 70 73.006 -3.182 -8.237 482 3HG2 THR 70 HG23 THR 70 71.334 -2.637 -8.378 483 H GLY 71 HN GLY 71 69.377 -4.964 -5.343 484 1HA GLY 71 HA2 GLY 71 69.569 -7.327 -5.660 485 2HA GLY 71 HA1 GLY 71 71.324 -7.151 -5.687 486 H GLY 72 HN GLY 72 69.736 -5.517 -3.126 487 1HA GLY 72 HA2 GLY 72 69.299 -6.243 -0.882 488 2HA GLY 72 HA1 GLY 72 70.045 -7.796 -1.263 489 H VAL 73 HN VAL 73 71.826 -5.135 -2.405 490 HA VAL 73 HA VAL 73 73.691 -5.326 -0.051 491 HB VAL 73 HB VAL 73 75.479 -5.139 -1.706 492 1HG1 VAL 73 HG11 VAL 73 75.030 -7.197 -3.031 493 2HG1 VAL 73 HG12 VAL 73 73.333 -7.109 -2.560 494 3HG1 VAL 73 HG13 VAL 73 74.574 -7.393 -1.338 495 1HG2 VAL 73 HG21 VAL 73 73.188 -4.293 -3.381 496 2HG2 VAL 73 HG22 VAL 73 74.366 -5.326 -4.193 497 3HG2 VAL 73 HG23 VAL 73 74.881 -3.805 -3.463 498 HA PRO 74 HA PRO 74 72.986 -0.917 -0.047 499 1HB PRO 74 HB2 PRO 74 74.481 -0.375 2.175 500 2HB PRO 74 HB1 PRO 74 72.853 -1.072 2.257 501 1HG PRO 74 HG2 PRO 74 75.481 -2.357 2.653 502 2HG PRO 74 HG1 PRO 74 73.906 -2.768 3.341 503 1HD PRO 74 HD2 PRO 74 75.183 -4.084 1.222 504 2HD PRO 74 HD1 PRO 74 73.482 -4.265 1.699 505 H ALA 75 HN ALA 75 74.137 0.654 -1.139 506 HA ALA 75 HA ALA 75 76.890 0.158 -1.974 507 1HB ALA 75 HB1 ALA 75 74.976 2.506 -2.231 508 2HB ALA 75 HB2 ALA 75 75.256 1.244 -3.431 509 3HB ALA 75 HB3 ALA 75 76.531 2.405 -3.059 510 HA PRO 76 HA PRO 76 78.972 2.296 1.244 511 1HB PRO 76 HB2 PRO 76 80.942 3.629 -0.124 512 2HB PRO 76 HB1 PRO 76 80.971 1.877 0.157 513 1HG PRO 76 HG2 PRO 76 80.153 3.386 -2.279 514 2HG PRO 76 HG1 PRO 76 81.083 1.885 -2.141 515 1HD PRO 76 HD2 PRO 76 78.454 1.922 -2.801 516 2HD PRO 76 HD1 PRO 76 79.203 0.582 -1.903 517 H SER 77 HN SER 77 76.745 3.612 1.058 518 HA SER 77 HA SER 77 77.232 6.425 0.209 519 1HB SER 77 HB2 SER 77 75.177 4.856 -0.304 520 2HB SER 77 HB1 SER 77 74.665 5.317 1.318 521 HG SER 77 HG SER 77 75.205 7.555 0.455 522 H ALA 78 HN ALA 78 77.993 7.769 1.781 523 HA ALA 78 HA ALA 78 77.965 7.114 4.598 524 1HB ALA 78 HB1 ALA 78 78.304 9.911 3.597 525 2HB ALA 78 HB2 ALA 78 79.437 8.695 3.007 526 3HB ALA 78 HB3 ALA 78 79.297 9.004 4.738 527 H ALA 79 HN ALA 79 75.515 8.202 2.567 528 HA ALA 79 HA ALA 79 74.190 9.885 4.628 529 1HB ALA 79 HB1 ALA 79 73.927 10.917 2.591 530 2HB ALA 79 HB2 ALA 79 72.521 9.857 2.506 531 3HB ALA 79 HB3 ALA 79 74.020 9.399 1.697 532 H CYS 80 HN CYS 80 74.091 6.648 3.340 533 HA CYS 80 HA CYS 80 71.330 6.060 3.941 534 1HB CYS 80 HB2 CYS 80 72.601 4.716 2.396 535 2HB CYS 80 HB1 CYS 80 73.822 4.373 3.608 536 H LYS 81 HN LYS 81 70.685 4.509 5.716 537 HA LYS 81 HA LYS 81 71.962 5.355 8.273 538 1HB LYS 81 HB2 LYS 81 69.806 5.275 9.109 539 2HB LYS 81 HB1 LYS 81 69.462 5.580 7.408 540 1HG LYS 81 HG2 LYS 81 69.361 2.916 8.857 541 2HG LYS 81 HG1 LYS 81 68.021 3.776 8.105 542 1HD LYS 81 HD2 LYS 81 68.707 3.214 5.934 543 2HD LYS 81 HD1 LYS 81 70.373 2.971 6.413 544 1HE LYS 81 HE2 LYS 81 69.346 1.016 7.880 545 2HE LYS 81 HE1 LYS 81 68.077 1.087 6.647 546 1HZ LYS 81 HZ1 LYS 81 70.159 -0.321 6.166 547 2HZ LYS 81 HZ2 LYS 81 70.918 1.169 5.874 548 3HZ LYS 81 HZ3 LYS 81 69.574 0.702 4.946 549 H ILE 82 HN ILE 82 72.329 2.678 6.371 550 HA ILE 82 HA ILE 82 71.887 0.271 7.231 551 HB ILE 82 HB ILE 82 74.537 1.646 6.964 552 1HG1 ILE 82 HG12 ILE 82 74.291 -0.609 5.303 553 2HG1 ILE 82 HG11 ILE 82 72.679 0.102 5.354 554 1HG2 ILE 82 HG21 ILE 82 75.422 0.079 8.399 555 2HG2 ILE 82 HG22 ILE 82 75.340 -0.930 6.955 556 3HG2 ILE 82 HG23 ILE 82 74.074 -1.037 8.177 557 1HD1 ILE 82 HD1 ILE 82 73.584 1.362 3.647 558 2HD1 ILE 82 HD1 ILE 82 75.223 1.248 4.291 559 3HD1 ILE 82 HD1 ILE 82 74.065 2.359 5.022 560 H SER 83 HN SER 83 70.748 0.504 9.354 561 HA SER 83 HA SER 83 72.679 0.330 11.646 562 1HB SER 83 HB2 SER 83 70.324 2.024 11.110 563 2HB SER 83 HB1 SER 83 70.343 1.294 12.713 564 HG SER 83 HG SER 83 71.481 3.376 12.413 565 H GLY 84 HN GLY 84 69.138 -0.161 11.287 566 1HA GLY 84 HA2 GLY 84 69.571 -2.944 12.293 567 2HA GLY 84 HA1 GLY 84 68.305 -1.917 12.959 568 H CYS 85 HN CYS 85 69.304 -3.724 10.104 569 HA CYS 85 HA CYS 85 66.611 -4.460 9.452 570 1HB CYS 85 HB2 CYS 85 66.890 -1.902 8.872 571 2HB CYS 85 HB1 CYS 85 67.731 -2.515 7.446 572 H THR 86 HN THR 86 67.114 -4.512 6.540 573 HA THR 86 HA THR 86 69.562 -5.708 5.793 574 HB THR 86 HB THR 86 69.090 -7.402 7.450 575 HG1 THR 86 HG1 THR 86 69.457 -8.939 6.086 576 1HG2 THR 86 HG21 THR 86 66.336 -7.602 6.190 577 2HG2 THR 86 HG22 THR 86 66.694 -6.853 7.747 578 3HG2 THR 86 HG23 THR 86 66.933 -8.586 7.527 579 H PHE 87 HN PHE 87 69.308 -6.780 3.630 580 HA PHE 87 HA PHE 87 66.751 -5.926 2.319 581 1HB PHE 87 HB2 PHE 87 69.425 -6.426 1.001 582 2HB PHE 87 HB1 PHE 87 68.076 -5.473 0.389 583 HD1 PHE 87 HD1 PHE 87 71.087 -4.684 0.882 584 HD2 PHE 87 HD2 PHE 87 67.450 -4.087 3.095 585 HE1 PHE 87 HE1 PHE 87 72.053 -2.671 1.932 586 HE2 PHE 87 HE2 PHE 87 68.425 -2.055 4.148 587 HZ PHE 87 HZ PHE 87 70.731 -1.350 3.561 588 H SER 88 HN SER 88 69.344 -8.392 2.043 589 HA SER 88 HA SER 88 69.185 -10.696 1.523 590 1HB SER 88 HB2 SER 88 67.060 -10.054 3.127 591 2HB SER 88 HB1 SER 88 66.231 -10.684 1.706 592 HG SER 88 HG SER 88 67.456 -12.030 3.625 593 H ALA 89 HN ALA 89 68.164 -8.256 -0.365 594 HA ALA 89 HA ALA 89 67.548 -8.087 -2.634 595 1HB ALA 89 HB1 ALA 89 69.084 -9.382 -3.659 596 2HB ALA 89 HB2 ALA 89 68.055 -10.794 -3.416 597 3HB ALA 89 HB3 ALA 89 69.241 -10.345 -2.189 598 H ASN 90 HN ASN 90 65.355 -7.919 -2.983 599 HA ASN 90 HA ASN 90 63.771 -10.456 -3.062 600 1HB ASN 90 HB2 ASN 90 63.214 -9.501 -0.961 601 2HB ASN 90 HB1 ASN 90 63.195 -7.861 -1.610 602 1HD2 ASN 90 HD2 ASN 90 61.142 -7.074 -2.120 603 2HD2 ASN 90 HD2 ASN 90 59.777 -8.039 -2.421 Start of MODEL 14 1 1H ASP 1 HT1 ASP 1 46.379 9.341 5.482 2 2H ASP 1 HT2 ASP 1 47.605 10.074 4.561 3 3H ASP 1 HT3 ASP 1 48.000 8.899 5.724 4 HA ASP 1 HA ASP 1 47.225 8.547 2.990 5 1HB ASP 1 HB2 ASP 1 48.341 6.407 3.459 6 2HB ASP 1 HB1 ASP 1 49.259 7.728 4.181 7 H GLY 2 HN GLY 2 46.452 5.841 3.067 8 1HA GLY 2 HA2 GLY 2 44.441 4.904 4.653 9 2HA GLY 2 HA1 GLY 2 43.599 6.130 3.706 10 H SER 3 HN SER 3 44.135 5.930 1.229 11 HA SER 3 HA SER 3 44.080 3.019 0.492 12 1HB SER 3 HB2 SER 3 42.400 5.390 -0.262 13 2HB SER 3 HB1 SER 3 42.599 4.086 -1.429 14 HG SER 3 HG SER 3 41.004 4.181 0.687 15 H CYS 4 HN CYS 4 45.748 2.493 -0.880 16 HA CYS 4 HA CYS 4 46.565 4.323 -3.028 17 1HB CYS 4 HB2 CYS 4 47.765 4.463 -0.469 18 2HB CYS 4 HB1 CYS 4 48.933 3.661 -1.516 19 H THR 5 HN THR 5 49.137 3.118 -3.435 20 HA THR 5 HA THR 5 48.986 0.229 -3.444 21 HB THR 5 HB THR 5 48.192 1.882 -5.865 22 HG1 THR 5 HG1 THR 5 46.329 0.968 -5.549 23 1HG2 THR 5 HG21 THR 5 49.709 -0.595 -5.793 24 2HG2 THR 5 HG22 THR 5 49.315 0.431 -7.169 25 3HG2 THR 5 HG23 THR 5 48.174 -0.803 -6.630 26 H ASN 6 HN ASN 6 50.829 2.422 -2.778 27 HA ASN 6 HA ASN 6 53.106 3.008 -3.095 28 1HB ASN 6 HB2 ASN 6 53.424 0.595 -2.866 29 2HB ASN 6 HB1 ASN 6 52.871 0.335 -4.517 30 1HD2 ASN 6 HD2 ASN 6 55.651 0.573 -2.661 31 2HD2 ASN 6 HD2 ASN 6 56.754 1.004 -3.876 32 H THR 7 HN THR 7 52.931 1.277 -6.128 33 HA THR 7 HA THR 7 52.478 3.792 -7.655 34 HB THR 7 HB THR 7 54.888 1.969 -7.689 35 HG1 THR 7 HG1 THR 7 54.395 4.740 -7.464 36 1HG2 THR 7 HG21 THR 7 54.512 2.041 -9.984 37 2HG2 THR 7 HG22 THR 7 55.484 3.493 -9.753 38 3HG2 THR 7 HG23 THR 7 53.732 3.622 -9.910 39 H ASN 8 HN ASN 8 51.736 0.583 -7.139 40 HA ASN 8 HA ASN 8 50.014 0.259 -9.379 41 1HB ASN 8 HB2 ASN 8 51.372 -1.165 -10.814 42 2HB ASN 8 HB1 ASN 8 52.281 0.312 -10.523 43 1HD2 ASN 8 HD2 ASN 8 53.722 0.145 -8.403 44 2HD2 ASN 8 HD2 ASN 8 54.567 -1.311 -8.215 45 H SER 9 HN SER 9 51.911 -1.137 -6.781 46 HA SER 9 HA SER 9 50.685 -3.795 -7.017 47 1HB SER 9 HB2 SER 9 52.219 -4.327 -5.245 48 2HB SER 9 HB1 SER 9 53.055 -3.252 -6.357 49 HG SER 9 HG SER 9 52.168 -1.545 -4.863 50 H GLN 10 HN GLN 10 51.020 -3.178 -3.759 51 HA GLN 10 HA GLN 10 48.103 -2.574 -3.461 52 1HB GLN 10 HB2 GLN 10 47.901 -4.462 -2.118 53 2HB GLN 10 HB1 GLN 10 49.174 -4.996 -3.212 54 1HG GLN 10 HG2 GLN 10 50.888 -4.387 -1.588 55 2HG GLN 10 HG1 GLN 10 49.665 -3.729 -0.501 56 1HE2 GLN 10 HE21 GLN 10 51.557 -6.396 -0.836 57 2HE2 GLN 10 HE22 GLN 10 50.545 -7.573 -0.150 58 H LEU 11 HN LEU 11 51.275 -2.575 -1.802 59 HA LEU 11 HA LEU 11 52.097 -1.144 -0.107 60 1HB LEU 11 HB2 LEU 11 51.338 0.500 -1.877 61 2HB LEU 11 HB1 LEU 11 49.802 0.617 -1.015 62 HG LEU 11 HG LEU 11 50.859 1.503 0.940 63 1HD1 LEU 11 HD1 LEU 11 53.457 1.832 0.774 64 2HD1 LEU 11 HD1 LEU 11 53.363 0.522 -0.403 65 3HD1 LEU 11 HD1 LEU 11 52.814 0.260 1.253 66 1HD2 LEU 11 HD2 LEU 11 50.599 3.065 -1.024 67 2HD2 LEU 11 HD2 LEU 11 52.292 2.766 -1.411 68 3HD2 LEU 11 HD2 LEU 11 51.860 3.543 0.112 69 H SER 12 HN SER 12 51.670 -2.123 1.828 70 HA SER 12 HA SER 12 49.419 -3.067 3.015 71 1HB SER 12 HB2 SER 12 50.777 -3.102 4.836 72 2HB SER 12 HB1 SER 12 51.967 -2.320 3.800 73 HG SER 12 HG SER 12 51.808 -0.798 5.254 74 H ALA 13 HN ALA 13 47.590 -2.269 4.084 75 HA ALA 13 HA ALA 13 46.476 0.221 3.301 76 1HB ALA 13 HB1 ALA 13 45.256 -1.774 4.136 77 2HB ALA 13 HB2 ALA 13 44.813 -0.329 5.043 78 3HB ALA 13 HB3 ALA 13 45.929 -1.501 5.744 79 H ASN 14 HN ASN 14 48.886 -0.453 5.657 80 HA ASN 14 HA ASN 14 48.385 2.172 7.005 81 1HB ASN 14 HB2 ASN 14 49.485 1.187 8.904 82 2HB ASN 14 HB1 ASN 14 48.357 -0.022 8.293 83 1HD2 ASN 14 HD2 ASN 14 49.246 -1.914 7.216 84 2HD2 ASN 14 HD2 ASN 14 50.899 -2.287 7.293 85 H SER 15 HN SER 15 50.157 1.074 4.492 86 HA SER 15 HA SER 15 52.808 2.052 5.284 87 1HB SER 15 HB2 SER 15 52.064 0.189 3.574 88 2HB SER 15 HB1 SER 15 51.897 1.542 2.465 89 HG SER 15 HG SER 15 54.197 0.695 3.883 90 H LYS 16 HN LYS 16 53.354 3.393 2.724 91 HA LYS 16 HA LYS 16 51.577 5.786 2.814 92 1HB LYS 16 HB2 LYS 16 53.694 5.714 4.426 93 2HB LYS 16 HB1 LYS 16 54.545 6.171 2.951 94 1HG LYS 16 HG2 LYS 16 53.025 8.091 2.660 95 2HG LYS 16 HG1 LYS 16 52.169 7.636 4.134 96 1HD LYS 16 HD2 LYS 16 54.311 7.877 5.402 97 2HD LYS 16 HD1 LYS 16 55.079 8.462 3.925 98 1HE LYS 16 HE2 LYS 16 52.541 9.790 4.836 99 2HE LYS 16 HE1 LYS 16 54.066 10.202 5.647 100 1HZ LYS 16 HZ1 LYS 16 53.735 11.600 3.701 101 2HZ LYS 16 HZ2 LYS 16 53.595 10.228 2.710 102 3HZ LYS 16 HZ3 LYS 16 55.072 10.582 3.475 103 H CYS 17 HN CYS 17 51.762 7.107 0.906 104 HA CYS 17 HA CYS 17 53.560 6.121 -1.263 105 1HB CYS 17 HB2 CYS 17 51.518 6.193 -2.773 106 2HB CYS 17 HB1 CYS 17 51.479 4.925 -1.554 107 H GLU 18 HN GLU 18 52.214 7.816 -3.236 108 HA GLU 18 HA GLU 18 52.320 10.045 -4.011 109 1HB GLU 18 HB2 GLU 18 51.743 10.452 -1.057 110 2HB GLU 18 HB1 GLU 18 51.579 11.703 -2.290 111 1HG GLU 18 HG2 GLU 18 50.212 9.153 -2.905 112 2HG GLU 18 HG1 GLU 18 49.545 10.050 -1.539 113 H LYS 19 HN LYS 19 53.742 11.959 -3.972 114 HA LYS 19 HA LYS 19 55.950 12.825 -3.868 115 1HB LYS 19 HB2 LYS 19 54.668 12.590 -1.295 116 2HB LYS 19 HB1 LYS 19 56.411 12.403 -1.100 117 1HG LYS 19 HG2 LYS 19 56.498 14.665 -1.166 118 2HG LYS 19 HG1 LYS 19 56.221 14.495 -2.901 119 1HD LYS 19 HD2 LYS 19 54.267 15.579 -2.661 120 2HD LYS 19 HD1 LYS 19 53.689 14.254 -1.650 121 1HE LYS 19 HE2 LYS 19 54.898 15.383 0.303 122 2HE LYS 19 HE1 LYS 19 55.073 16.798 -0.757 123 1HZ LYS 19 HZ1 LYS 19 52.869 17.196 -0.753 124 2HZ LYS 19 HZ2 LYS 19 52.895 16.338 0.713 125 3HZ LYS 19 HZ3 LYS 19 52.450 15.553 -0.727 126 H SER 20 HN SER 20 56.366 10.504 -4.972 127 HA SER 20 HA SER 20 58.844 9.490 -3.831 128 1HB SER 20 HB2 SER 20 57.928 7.209 -3.390 129 2HB SER 20 HB1 SER 20 57.209 8.433 -2.346 130 HG SER 20 HG SER 20 56.130 7.253 -4.689 131 H THR 21 HN THR 21 59.792 7.819 -5.277 132 HA THR 21 HA THR 21 58.465 7.726 -7.972 133 HB THR 21 HB THR 21 60.303 9.239 -8.144 134 HG1 THR 21 HG1 THR 21 61.455 8.196 -9.615 135 1HG2 THR 21 HG21 THR 21 61.729 7.251 -6.371 136 2HG2 THR 21 HG22 THR 21 61.388 8.950 -6.044 137 3HG2 THR 21 HG23 THR 21 62.592 8.509 -7.255 138 H LEU 22 HN LEU 22 57.724 5.600 -7.947 139 HA LEU 22 HA LEU 22 59.802 3.492 -7.589 140 1HB LEU 22 HB2 LEU 22 57.569 2.413 -6.369 141 2HB LEU 22 HB1 LEU 22 58.937 3.125 -5.522 142 HG LEU 22 HG LEU 22 56.717 4.908 -6.475 143 1HD1 LEU 22 HD1 LEU 22 56.072 4.378 -3.854 144 2HD1 LEU 22 HD1 LEU 22 56.526 2.781 -4.450 145 3HD1 LEU 22 HD1 LEU 22 55.242 3.689 -5.249 146 1HD2 LEU 22 HD2 LEU 22 57.772 6.417 -5.153 147 2HD2 LEU 22 HD2 LEU 22 59.105 5.263 -5.092 148 3HD2 LEU 22 HD2 LEU 22 57.887 5.272 -3.816 149 H THR 23 HN THR 23 58.294 1.275 -7.857 150 HA THR 23 HA THR 23 56.236 1.308 -9.858 151 HB THR 23 HB THR 23 59.129 1.210 -10.694 152 HG1 THR 23 HG1 THR 23 58.290 3.055 -11.309 153 1HG2 THR 23 HG21 THR 23 56.838 -0.307 -11.931 154 2HG2 THR 23 HG22 THR 23 58.486 -0.854 -11.619 155 3HG2 THR 23 HG23 THR 23 58.169 0.285 -12.927 156 H ASN 24 HN ASN 24 55.470 -0.848 -10.164 157 HA ASN 24 HA ASN 24 55.137 -3.081 -9.450 158 1HB ASN 24 HB2 ASN 24 58.126 -2.975 -9.985 159 2HB ASN 24 HB1 ASN 24 57.164 -4.453 -9.921 160 1HD2 ASN 24 HD2 ASN 24 57.823 -4.759 -12.255 161 2HD2 ASN 24 HD2 ASN 24 56.980 -3.917 -13.464 162 H CYS 25 HN CYS 25 54.593 -2.865 -7.222 163 HA CYS 25 HA CYS 25 56.831 -3.402 -5.317 164 1HB CYS 25 HB2 CYS 25 54.642 -1.319 -5.018 165 2HB CYS 25 HB1 CYS 25 55.933 -1.618 -3.859 166 H TYR 26 HN TYR 26 55.120 -3.184 -3.015 167 HA TYR 26 HA TYR 26 52.681 -4.532 -2.961 168 1HB TYR 26 HB2 TYR 26 54.916 -6.190 -3.836 169 2HB TYR 26 HB1 TYR 26 54.167 -6.848 -2.383 170 HD1 TYR 26 HD1 TYR 26 54.146 -7.641 -5.541 171 HD2 TYR 26 HD2 TYR 26 51.352 -5.930 -2.763 172 HE1 TYR 26 HE1 TYR 26 52.265 -8.513 -6.898 173 HE2 TYR 26 HE2 TYR 26 49.468 -6.802 -4.122 174 HH TYR 26 HH TYR 26 49.204 -8.821 -5.815 175 H VAL 27 HN VAL 27 54.143 -2.687 -1.428 176 HA VAL 27 HA VAL 27 55.457 -3.712 0.876 177 HB VAL 27 HB VAL 27 53.775 -1.208 0.579 178 1HG1 VAL 27 HG11 VAL 27 56.243 -0.898 2.006 179 2HG1 VAL 27 HG12 VAL 27 55.340 -2.240 2.709 180 3HG1 VAL 27 HG13 VAL 27 54.597 -0.644 2.588 181 1HG2 VAL 27 HG21 VAL 27 56.521 -1.950 -0.422 182 2HG2 VAL 27 HG22 VAL 27 56.112 -0.270 -0.074 183 3HG2 VAL 27 HG23 VAL 27 55.207 -1.163 -1.299 184 H ASP 28 HN ASP 28 54.692 -4.258 2.926 185 HA ASP 28 HA ASP 28 51.717 -4.455 3.265 186 1HB ASP 28 HB2 ASP 28 53.922 -6.448 3.450 187 2HB ASP 28 HB1 ASP 28 52.639 -6.579 4.652 188 H LYS 29 HN LYS 29 54.435 -2.977 4.383 189 HA LYS 29 HA LYS 29 53.291 -2.003 6.799 190 1HB LYS 29 HB2 LYS 29 54.611 -4.637 6.900 191 2HB LYS 29 HB1 LYS 29 55.226 -3.496 8.090 192 1HG LYS 29 HG2 LYS 29 52.457 -3.137 8.171 193 2HG LYS 29 HG1 LYS 29 52.672 -4.884 8.043 194 1HD LYS 29 HD2 LYS 29 54.552 -4.441 9.871 195 2HD LYS 29 HD1 LYS 29 53.564 -3.019 10.207 196 1HE LYS 29 HE2 LYS 29 52.572 -4.611 11.615 197 2HE LYS 29 HE1 LYS 29 51.577 -4.783 10.156 198 1HZ LYS 29 HZ1 LYS 29 53.645 -6.336 9.535 199 2HZ LYS 29 HZ2 LYS 29 52.244 -6.922 10.296 200 3HZ LYS 29 HZ3 LYS 29 53.624 -6.557 11.217 201 H SER 30 HN SER 30 54.376 -0.212 5.534 202 HA SER 30 HA SER 30 57.021 0.356 6.654 203 1HB SER 30 HB2 SER 30 56.598 -0.328 3.737 204 2HB SER 30 HB1 SER 30 58.026 0.522 4.314 205 HG SER 30 HG SER 30 58.500 -1.640 4.331 206 H GLU 31 HN GLU 31 57.795 2.309 4.772 207 HA GLU 31 HA GLU 31 55.431 4.147 4.619 208 1HB GLU 31 HB2 GLU 31 57.686 4.239 6.406 209 2HB GLU 31 HB1 GLU 31 57.727 5.648 5.348 210 1HG GLU 31 HG2 GLU 31 55.607 6.391 6.047 211 2HG GLU 31 HG1 GLU 31 55.162 4.806 6.682 212 H VAL 32 HN VAL 32 58.951 4.221 3.925 213 HA VAL 32 HA VAL 32 60.089 4.720 1.912 214 HB VAL 32 HB VAL 32 57.400 4.324 0.587 215 1HG1 VAL 32 HG11 VAL 32 59.371 5.057 -0.769 216 2HG1 VAL 32 HG12 VAL 32 58.759 3.471 -1.241 217 3HG1 VAL 32 HG13 VAL 32 60.218 3.595 -0.257 218 1HG2 VAL 32 HG21 VAL 32 59.323 2.225 1.640 219 2HG2 VAL 32 HG22 VAL 32 57.982 1.886 0.548 220 3HG2 VAL 32 HG23 VAL 32 57.664 2.487 2.174 221 H TYR 33 HN TYR 33 60.382 6.520 0.493 222 HA TYR 33 HA TYR 33 58.309 8.643 0.432 223 1HB TYR 33 HB2 TYR 33 60.955 8.708 1.857 224 2HB TYR 33 HB1 TYR 33 60.330 10.195 1.152 225 HD1 TYR 33 HD1 TYR 33 59.777 7.585 3.700 226 HD2 TYR 33 HD2 TYR 33 58.301 11.244 1.998 227 HE1 TYR 33 HE1 TYR 33 58.257 7.877 5.638 228 HE2 TYR 33 HE2 TYR 33 56.783 11.534 3.935 229 HH TYR 33 HH TYR 33 56.776 9.198 6.632 230 H GLY 34 HN GLY 34 61.818 8.759 -0.121 231 1HA GLY 34 HA2 GLY 34 61.266 9.333 -3.001 232 2HA GLY 34 HA1 GLY 34 62.688 9.904 -2.124 233 H THR 35 HN THR 35 61.329 6.651 -1.932 234 HA THR 35 HA THR 35 63.948 5.484 -2.550 235 HB THR 35 HB THR 35 61.279 4.674 -1.507 236 HG1 THR 35 HG1 THR 35 63.112 5.126 -0.206 237 1HG2 THR 35 HG21 THR 35 63.193 2.635 -2.676 238 2HG2 THR 35 HG22 THR 35 61.640 3.078 -3.387 239 3HG2 THR 35 HG23 THR 35 61.696 2.289 -1.809 240 H THR 36 HN THR 36 63.940 3.551 -4.142 241 HA THR 36 HA THR 36 62.406 4.297 -6.613 242 HB THR 36 HB THR 36 65.050 2.856 -6.585 243 HG1 THR 36 HG1 THR 36 65.769 4.553 -5.553 244 1HG2 THR 36 HG21 THR 36 64.118 2.987 -8.746 245 2HG2 THR 36 HG22 THR 36 65.234 4.351 -8.695 246 3HG2 THR 36 HG23 THR 36 63.504 4.618 -8.479 247 H CYS 37 HN CYS 37 61.001 2.619 -5.103 248 HA CYS 37 HA CYS 37 61.355 -0.082 -4.832 249 1HB CYS 37 HB2 CYS 37 59.300 1.343 -4.455 250 2HB CYS 37 HB1 CYS 37 58.984 1.221 -6.175 251 H THR 38 HN THR 38 62.625 -1.230 -6.345 252 HA THR 38 HA THR 38 61.798 -1.099 -9.218 253 HB THR 38 HB THR 38 64.304 -2.007 -7.770 254 HG1 THR 38 HG1 THR 38 63.452 0.257 -9.092 255 1HG2 THR 38 HG21 THR 38 64.505 -1.789 -10.663 256 2HG2 THR 38 HG22 THR 38 63.323 -3.009 -10.189 257 3HG2 THR 38 HG23 THR 38 64.984 -3.118 -9.606 258 H GLY 39 HN GLY 39 59.899 -2.528 -8.520 259 1HA GLY 39 HA2 GLY 39 58.894 -4.650 -8.542 260 2HA GLY 39 HA1 GLY 39 60.409 -5.262 -9.209 261 H SER 40 HN SER 40 59.647 -3.731 -6.073 262 HA SER 40 HA SER 40 60.522 -6.244 -4.706 263 1HB SER 40 HB2 SER 40 61.774 -4.579 -3.152 264 2HB SER 40 HB1 SER 40 62.486 -4.923 -4.725 265 HG SER 40 HG SER 40 61.189 -2.632 -3.784 266 H ARG 41 HN ARG 41 59.965 -6.094 -2.299 267 HA ARG 41 HA ARG 41 57.731 -4.231 -1.677 268 1HB ARG 41 HB2 ARG 41 56.322 -6.194 -1.040 269 2HB ARG 41 HB1 ARG 41 56.727 -6.197 -2.757 270 1HG ARG 41 HG2 ARG 41 58.826 -7.600 -1.844 271 2HG ARG 41 HG1 ARG 41 57.658 -8.011 -0.585 272 1HD ARG 41 HD2 ARG 41 56.732 -9.516 -1.999 273 2HD ARG 41 HD1 ARG 41 56.289 -8.183 -3.083 274 HE ARG 41 HE ARG 41 59.106 -9.037 -3.227 275 1HH1 ARG 41 HH2 ARG 41 56.401 -8.113 -4.950 276 2HH1 ARG 41 HH2 ARG 41 56.660 -9.181 -6.287 277 1HH2 ARG 41 HH1 ARG 41 59.236 -10.918 -4.747 278 2HH2 ARG 41 HH1 ARG 41 58.264 -10.770 -6.173 279 H PHE 42 HN PHE 42 57.283 -4.177 0.660 280 HA PHE 42 HA PHE 42 59.539 -5.300 2.295 281 1HB PHE 42 HB2 PHE 42 57.931 -2.843 2.983 282 2HB PHE 42 HB1 PHE 42 59.562 -3.267 3.496 283 HD1 PHE 42 HD1 PHE 42 60.823 -4.047 0.938 284 HD2 PHE 42 HD2 PHE 42 58.162 -0.799 1.843 285 HE1 PHE 42 HE1 PHE 42 61.754 -2.753 -0.965 286 HE2 PHE 42 HE2 PHE 42 59.092 0.494 -0.058 287 HZ PHE 42 HZ PHE 42 60.885 -0.482 -1.460 288 H ASP 43 HN ASP 43 58.762 -5.170 4.763 289 HA ASP 43 HA ASP 43 55.913 -5.844 5.141 290 1HB ASP 43 HB2 ASP 43 57.588 -7.842 4.372 291 2HB ASP 43 HB1 ASP 43 57.821 -7.908 6.118 292 H GLY 44 HN GLY 44 57.365 -3.703 6.176 293 1HA GLY 44 HA2 GLY 44 56.927 -3.052 8.594 294 2HA GLY 44 HA1 GLY 44 57.820 -4.512 9.017 295 H VAL 45 HN VAL 45 58.183 -1.423 7.257 296 HA VAL 45 HA VAL 45 60.938 -1.204 8.342 297 HB VAL 45 HB VAL 45 62.006 -1.308 6.278 298 1HG1 VAL 45 HG11 VAL 45 60.822 -3.476 6.711 299 2HG1 VAL 45 HG12 VAL 45 61.134 -3.171 5.001 300 3HG1 VAL 45 HG13 VAL 45 59.518 -2.917 5.661 301 1HG2 VAL 45 HG21 VAL 45 59.485 -0.078 5.302 302 2HG2 VAL 45 HG22 VAL 45 60.341 -1.093 4.142 303 3HG2 VAL 45 HG23 VAL 45 61.155 0.290 4.874 304 H THR 46 HN THR 46 61.821 0.965 6.984 305 HA THR 46 HA THR 46 59.717 3.023 6.801 306 HB THR 46 HB THR 46 61.944 3.168 8.862 307 HG1 THR 46 HG1 THR 46 60.600 1.918 9.893 308 1HG2 THR 46 HG21 THR 46 61.121 5.327 7.871 309 2HG2 THR 46 HG22 THR 46 60.830 5.182 9.605 310 3HG2 THR 46 HG23 THR 46 59.509 4.924 8.465 311 H ILE 47 HN ILE 47 61.160 2.300 4.677 312 HA ILE 47 HA ILE 47 63.738 3.653 4.469 313 HB ILE 47 HB ILE 47 62.872 1.550 3.272 314 1HG1 ILE 47 HG12 ILE 47 63.864 3.591 1.298 315 2HG1 ILE 47 HG11 ILE 47 64.886 3.113 2.653 316 1HG2 ILE 47 HG21 ILE 47 60.770 3.086 2.575 317 2HG2 ILE 47 HG22 ILE 47 61.301 1.710 1.608 318 3HG2 ILE 47 HG23 ILE 47 61.791 3.344 1.160 319 1HD1 ILE 47 HD1 ILE 47 63.633 0.838 1.286 320 2HD1 ILE 47 HD1 ILE 47 65.316 1.078 1.758 321 3HD1 ILE 47 HD1 ILE 47 64.715 1.769 0.250 322 H THR 48 HN THR 48 64.052 5.333 2.685 323 HA THR 48 HA THR 48 61.660 7.064 2.266 324 HB THR 48 HB THR 48 63.342 8.970 2.939 325 HG1 THR 48 HG1 THR 48 64.398 6.803 4.405 326 1HG2 THR 48 HG21 THR 48 61.605 7.209 4.509 327 2HG2 THR 48 HG22 THR 48 61.720 8.969 4.515 328 3HG2 THR 48 HG23 THR 48 62.840 8.009 5.482 329 H THR 49 HN THR 49 65.090 7.821 1.792 330 HA THR 49 HA THR 49 64.570 7.947 -1.159 331 HB THR 49 HB THR 49 65.758 9.904 -1.154 332 HG1 THR 49 HG1 THR 49 67.765 9.661 -0.731 333 1HG2 THR 49 HG21 THR 49 65.477 9.652 1.846 334 2HG2 THR 49 HG22 THR 49 64.195 10.194 0.760 335 3HG2 THR 49 HG23 THR 49 65.665 11.153 0.938 336 H SER 50 HN SER 50 65.223 5.467 0.120 337 HA SER 50 HA SER 50 68.107 5.029 -0.425 338 1HB SER 50 HB2 SER 50 66.220 2.881 0.430 339 2HB SER 50 HB1 SER 50 67.851 3.223 0.994 340 HG SER 50 HG SER 50 66.742 5.264 1.810 341 H THR 51 HN THR 51 68.738 4.264 -2.381 342 HA THR 51 HA THR 51 66.845 3.431 -4.418 343 HB THR 51 HB THR 51 69.735 2.713 -4.576 344 HG1 THR 51 HG1 THR 51 68.770 5.365 -4.315 345 1HG2 THR 51 HG21 THR 51 68.725 4.582 -6.532 346 2HG2 THR 51 HG22 THR 51 67.596 3.241 -6.336 347 3HG2 THR 51 HG23 THR 51 69.277 2.923 -6.766 348 H SER 52 HN SER 52 66.173 1.322 -4.872 349 HA SER 52 HA SER 52 67.631 -0.923 -3.543 350 1HB SER 52 HB2 SER 52 65.276 -1.779 -2.948 351 2HB SER 52 HB1 SER 52 65.874 -0.407 -2.019 352 HG SER 52 HG SER 52 64.350 -0.111 -4.386 353 H THR 53 HN THR 53 68.126 -2.348 -5.139 354 HA THR 53 HA THR 53 66.193 -2.660 -7.417 355 HB THR 53 HB THR 53 68.907 -3.602 -7.892 356 HG1 THR 53 HG1 THR 53 69.994 -1.758 -7.547 357 1HG2 THR 53 HG21 THR 53 66.792 -2.475 -9.297 358 2HG2 THR 53 HG22 THR 53 68.400 -2.807 -9.943 359 3HG2 THR 53 HG23 THR 53 68.017 -1.207 -9.308 360 H GLY 54 HN GLY 54 65.251 -4.232 -5.682 361 1HA GLY 54 HA2 GLY 54 64.767 -6.601 -5.624 362 2HA GLY 54 HA1 GLY 54 66.404 -6.919 -6.202 363 H SER 55 HN SER 55 64.464 -6.172 -3.373 364 HA SER 55 HA SER 55 66.417 -7.403 -1.605 365 1HB SER 55 HB2 SER 55 67.044 -5.310 -0.445 366 2HB SER 55 HB1 SER 55 67.512 -5.257 -2.140 367 HG SER 55 HG SER 55 65.189 -4.125 -0.960 368 H ARG 56 HN ARG 56 65.217 -8.212 0.069 369 HA ARG 56 HA ARG 56 62.480 -7.191 0.525 370 1HB ARG 56 HB2 ARG 56 62.485 -9.178 2.133 371 2HB ARG 56 HB1 ARG 56 62.774 -9.578 0.440 372 1HG ARG 56 HG2 ARG 56 65.009 -10.066 0.793 373 2HG ARG 56 HG1 ARG 56 65.139 -8.979 2.175 374 1HD ARG 56 HD2 ARG 56 65.135 -11.044 3.266 375 2HD ARG 56 HD1 ARG 56 63.391 -10.713 3.233 376 HE ARG 56 HE ARG 56 63.851 -11.921 0.794 377 1HH1 ARG 56 HH2 ARG 56 62.216 -13.375 2.735 378 2HH1 ARG 56 HH2 ARG 56 63.162 -14.784 3.083 379 1HH2 ARG 56 HH1 ARG 56 66.101 -13.447 1.817 380 2HH2 ARG 56 HH1 ARG 56 65.362 -14.824 2.565 381 H ILE 57 HN ILE 57 62.524 -5.292 1.724 382 HA ILE 57 HA ILE 57 64.496 -4.864 3.846 383 HB ILE 57 HB ILE 57 62.007 -3.249 3.260 384 1HG1 ILE 57 HG12 ILE 57 62.919 -3.570 1.081 385 2HG1 ILE 57 HG11 ILE 57 63.568 -2.021 1.618 386 1HG2 ILE 57 HG21 ILE 57 62.994 -1.973 4.840 387 2HG2 ILE 57 HG22 ILE 57 64.221 -1.603 3.628 388 3HG2 ILE 57 HG23 ILE 57 64.482 -2.916 4.777 389 1HD1 ILE 57 HD1 ILE 57 65.589 -3.358 2.483 390 2HD1 ILE 57 HD1 ILE 57 65.441 -3.184 0.735 391 3HD1 ILE 57 HD1 ILE 57 64.970 -4.695 1.514 392 H SER 58 HN SER 58 62.139 -6.993 3.957 393 HA SER 58 HA SER 58 60.276 -6.395 5.953 394 1HB SER 58 HB2 SER 58 61.737 -8.767 4.951 395 2HB SER 58 HB1 SER 58 61.027 -8.956 6.551 396 HG SER 58 HG SER 58 59.675 -9.436 4.613 397 H GLY 59 HN GLY 59 60.340 -6.705 8.304 398 1HA GLY 59 HA2 GLY 59 62.417 -7.453 9.942 399 2HA GLY 59 HA1 GLY 59 62.859 -5.808 9.489 400 HA PRO 60 HA PRO 60 59.367 -5.996 12.747 401 1HB PRO 60 HB2 PRO 60 60.706 -6.484 15.080 402 2HB PRO 60 HB1 PRO 60 59.993 -7.774 14.091 403 1HG PRO 60 HG2 PRO 60 62.825 -6.904 14.309 404 2HG PRO 60 HG1 PRO 60 62.155 -8.528 14.102 405 1HD PRO 60 HD2 PRO 60 63.263 -7.036 12.077 406 2HD PRO 60 HD1 PRO 60 62.080 -8.339 11.831 407 H GLY 61 HN GLY 61 62.311 -4.493 12.152 408 1HA GLY 61 HA2 GLY 61 61.418 -1.997 13.379 409 2HA GLY 61 HA1 GLY 61 62.856 -2.678 14.144 410 H CYS 62 HN CYS 62 62.238 -3.163 10.740 411 HA CYS 62 HA CYS 62 64.791 -2.266 9.905 412 1HB CYS 62 HB2 CYS 62 62.420 -3.360 8.807 413 2HB CYS 62 HB1 CYS 62 62.780 -1.914 7.865 414 H LYS 63 HN LYS 63 65.553 -0.289 9.223 415 HA LYS 63 HA LYS 63 63.718 2.023 8.921 416 1HB LYS 63 HB2 LYS 63 64.238 1.874 11.325 417 2HB LYS 63 HB1 LYS 63 65.963 1.796 10.960 418 1HG LYS 63 HG2 LYS 63 66.075 4.032 10.344 419 2HG LYS 63 HG1 LYS 63 64.366 4.107 9.913 420 1HD LYS 63 HD2 LYS 63 64.235 5.203 11.928 421 2HD LYS 63 HD1 LYS 63 64.118 3.552 12.538 422 1HE LYS 63 HE2 LYS 63 65.997 3.921 13.749 423 2HE LYS 63 HE1 LYS 63 66.893 4.126 12.231 424 1HZ LYS 63 HZ1 LYS 63 65.170 6.312 13.159 425 2HZ LYS 63 HZ2 LYS 63 66.597 6.380 12.238 426 3HZ LYS 63 HZ3 LYS 63 66.676 6.105 13.913 427 H ILE 64 HN ILE 64 64.450 2.876 6.971 428 HA ILE 64 HA ILE 64 67.413 2.987 6.579 429 HB ILE 64 HB ILE 64 65.407 2.594 4.366 430 1HG1 ILE 64 HG12 ILE 64 66.336 0.103 4.689 431 2HG1 ILE 64 HG11 ILE 64 66.432 0.628 6.370 432 1HG2 ILE 64 HG21 ILE 64 67.995 3.201 4.191 433 2HG2 ILE 64 HG22 ILE 64 67.249 2.062 3.068 434 3HG2 ILE 64 HG23 ILE 64 68.177 1.465 4.444 435 1HD1 ILE 64 HD1 ILE 64 63.938 1.537 5.363 436 2HD1 ILE 64 HD1 ILE 64 64.220 0.289 6.576 437 3HD1 ILE 64 HD1 ILE 64 64.107 -0.147 4.871 438 H SER 65 HN SER 65 68.214 4.856 5.552 439 HA SER 65 HA SER 65 66.259 6.930 4.711 440 1HB SER 65 HB2 SER 65 66.721 8.274 6.467 441 2HB SER 65 HB1 SER 65 67.465 6.862 7.216 442 HG SER 65 HG SER 65 68.994 8.474 7.155 443 H THR 66 HN THR 66 66.898 7.293 2.643 444 HA THR 66 HA THR 66 68.282 7.701 0.786 445 HB THR 66 HB THR 66 70.090 8.859 2.921 446 HG1 THR 66 HG1 THR 66 68.533 10.190 3.309 447 1HG2 THR 66 HG21 THR 66 69.669 10.311 0.418 448 2HG2 THR 66 HG22 THR 66 70.349 8.703 0.162 449 3HG2 THR 66 HG23 THR 66 71.179 9.855 1.210 450 H CYS 67 HN CYS 67 68.561 5.128 1.346 451 HA CYS 67 HA CYS 67 71.507 4.579 1.562 452 1HB CYS 67 HB2 CYS 67 69.555 3.545 3.058 453 2HB CYS 67 HB1 CYS 67 69.393 2.458 1.685 454 H ILE 68 HN ILE 68 72.516 3.892 -0.311 455 HA ILE 68 HA ILE 68 70.884 3.394 -2.727 456 HB ILE 68 HB ILE 68 73.821 3.691 -2.083 457 1HG1 ILE 68 HG12 ILE 68 73.522 5.581 -3.737 458 2HG1 ILE 68 HG11 ILE 68 71.793 5.227 -3.723 459 1HG2 ILE 68 HG21 ILE 68 74.297 2.390 -3.872 460 2HG2 ILE 68 HG22 ILE 68 73.563 3.647 -4.866 461 3HG2 ILE 68 HG23 ILE 68 72.596 2.276 -4.321 462 1HD1 ILE 68 HD1 ILE 68 72.650 7.028 -2.075 463 2HD1 ILE 68 HD1 ILE 68 73.313 5.670 -1.161 464 3HD1 ILE 68 HD1 ILE 68 71.574 5.781 -1.442 465 H ILE 69 HN ILE 69 69.923 1.374 -2.263 466 HA ILE 69 HA ILE 69 71.770 -0.906 -1.724 467 HB ILE 69 HB ILE 69 68.749 -0.858 -1.588 468 1HG1 ILE 69 HG12 ILE 69 70.601 -0.228 0.735 469 2HG1 ILE 69 HG11 ILE 69 69.872 1.039 -0.250 470 1HG2 ILE 69 HG21 ILE 69 68.976 -2.765 -0.252 471 2HG2 ILE 69 HG22 ILE 69 70.639 -2.377 0.189 472 3HG2 ILE 69 HG23 ILE 69 70.274 -2.982 -1.427 473 1HD1 ILE 69 HD1 ILE 69 68.630 0.273 1.902 474 2HD1 ILE 69 HD1 ILE 69 68.157 -1.125 0.936 475 3HD1 ILE 69 HD1 ILE 69 67.698 0.499 0.422 476 H THR 70 HN THR 70 71.670 -2.777 -3.068 477 HA THR 70 HA THR 70 69.891 -2.782 -5.432 478 HB THR 70 HB THR 70 72.885 -2.379 -5.484 479 HG1 THR 70 HG1 THR 70 71.950 -0.467 -5.670 480 1HG2 THR 70 HG21 THR 70 71.157 -3.841 -7.362 481 2HG2 THR 70 HG22 THR 70 72.914 -3.849 -7.208 482 3HG2 THR 70 HG23 THR 70 72.115 -2.564 -8.116 483 H GLY 71 HN GLY 71 69.142 -4.886 -4.985 484 1HA GLY 71 HA2 GLY 71 69.382 -7.242 -5.370 485 2HA GLY 71 HA1 GLY 71 71.133 -7.039 -5.323 486 H GLY 72 HN GLY 72 69.193 -5.607 -2.819 487 1HA GLY 72 HA2 GLY 72 68.789 -6.337 -0.592 488 2HA GLY 72 HA1 GLY 72 69.534 -7.884 -0.996 489 H VAL 73 HN VAL 73 71.307 -5.127 -1.955 490 HA VAL 73 HA VAL 73 73.152 -5.465 0.398 491 HB VAL 73 HB VAL 73 74.963 -5.187 -1.221 492 1HG1 VAL 73 HG11 VAL 73 73.442 -7.045 -2.866 493 2HG1 VAL 73 HG12 VAL 73 73.184 -7.351 -1.148 494 3HG1 VAL 73 HG13 VAL 73 74.819 -7.363 -1.809 495 1HG2 VAL 73 HG21 VAL 73 72.672 -4.342 -2.927 496 2HG2 VAL 73 HG22 VAL 73 73.969 -5.231 -3.729 497 3HG2 VAL 73 HG23 VAL 73 74.324 -3.727 -2.878 498 HA PRO 74 HA PRO 74 72.491 -1.049 0.600 499 1HB PRO 74 HB2 PRO 74 73.882 -0.651 2.914 500 2HB PRO 74 HB1 PRO 74 72.250 -1.337 2.885 501 1HG PRO 74 HG2 PRO 74 74.843 -2.672 3.330 502 2HG PRO 74 HG1 PRO 74 73.233 -3.100 3.920 503 1HD PRO 74 HD2 PRO 74 74.597 -4.306 1.786 504 2HD PRO 74 HD1 PRO 74 72.878 -4.506 2.187 505 H ALA 75 HN ALA 75 73.735 0.510 -0.432 506 HA ALA 75 HA ALA 75 76.622 -0.031 -0.866 507 1HB ALA 75 HB1 ALA 75 74.910 2.234 -1.921 508 2HB ALA 75 HB2 ALA 75 74.907 0.628 -2.653 509 3HB ALA 75 HB3 ALA 75 76.390 1.584 -2.627 510 HA PRO 76 HA PRO 76 77.812 2.938 2.169 511 1HB PRO 76 HB2 PRO 76 80.338 3.478 1.264 512 2HB PRO 76 HB1 PRO 76 79.913 1.965 2.090 513 1HG PRO 76 HG2 PRO 76 80.293 2.497 -0.807 514 2HG PRO 76 HG1 PRO 76 80.709 1.064 0.145 515 1HD PRO 76 HD2 PRO 76 78.509 1.246 -1.487 516 2HD PRO 76 HD1 PRO 76 78.637 0.146 -0.097 517 H SER 77 HN SER 77 76.540 4.782 1.770 518 HA SER 77 HA SER 77 77.412 6.602 -0.446 519 1HB SER 77 HB2 SER 77 75.120 5.758 -0.565 520 2HB SER 77 HB1 SER 77 74.814 6.275 1.091 521 HG SER 77 HG SER 77 74.296 8.124 0.260 522 H ALA 78 HN ALA 78 77.584 6.222 2.907 523 HA ALA 78 HA ALA 78 78.371 7.718 4.575 524 1HB ALA 78 HB1 ALA 78 79.764 9.274 3.685 525 2HB ALA 78 HB2 ALA 78 78.425 10.103 2.889 526 3HB ALA 78 HB3 ALA 78 79.208 8.733 2.101 527 H ALA 79 HN ALA 79 75.501 7.801 2.993 528 HA ALA 79 HA ALA 79 74.397 9.964 4.751 529 1HB ALA 79 HB1 ALA 79 73.570 9.097 1.958 530 2HB ALA 79 HB2 ALA 79 74.475 10.561 2.342 531 3HB ALA 79 HB3 ALA 79 72.809 10.383 2.894 532 H CYS 80 HN CYS 80 73.952 6.808 3.222 533 HA CYS 80 HA CYS 80 71.380 6.067 3.943 534 1HB CYS 80 HB2 CYS 80 72.879 4.641 2.699 535 2HB CYS 80 HB1 CYS 80 74.011 4.569 4.031 536 H LYS 81 HN LYS 81 70.721 4.654 5.884 537 HA LYS 81 HA LYS 81 71.631 6.003 8.367 538 1HB LYS 81 HB2 LYS 81 69.496 5.494 9.143 539 2HB LYS 81 HB1 LYS 81 69.207 5.604 7.409 540 1HG LYS 81 HG2 LYS 81 69.618 3.070 9.029 541 2HG LYS 81 HG1 LYS 81 68.137 3.588 8.228 542 1HD LYS 81 HD2 LYS 81 69.158 3.334 6.041 543 2HD LYS 81 HD1 LYS 81 70.723 2.990 6.764 544 1HE LYS 81 HE2 LYS 81 69.341 1.052 7.983 545 2HE LYS 81 HE1 LYS 81 68.323 1.221 6.537 546 1HZ LYS 81 HZ1 LYS 81 70.417 -0.280 6.437 547 2HZ LYS 81 HZ2 LYS 81 71.252 1.190 6.268 548 3HZ LYS 81 HZ3 LYS 81 70.066 0.750 5.135 549 H ILE 82 HN ILE 82 72.711 3.360 6.811 550 HA ILE 82 HA ILE 82 72.923 1.005 7.750 551 HB ILE 82 HB ILE 82 75.161 2.990 8.206 552 1HG1 ILE 82 HG12 ILE 82 74.469 3.007 5.915 553 2HG1 ILE 82 HG11 ILE 82 75.897 1.975 5.977 554 1HG2 ILE 82 HG21 ILE 82 75.075 0.384 9.129 555 2HG2 ILE 82 HG22 ILE 82 76.546 1.290 8.775 556 3HG2 ILE 82 HG23 ILE 82 75.859 0.213 7.559 557 1HD1 ILE 82 HD1 ILE 82 74.413 0.675 4.717 558 2HD1 ILE 82 HD1 ILE 82 73.012 1.190 5.653 559 3HD1 ILE 82 HD1 ILE 82 74.160 0.044 6.344 560 H SER 83 HN SER 83 71.322 1.171 9.662 561 HA SER 83 HA SER 83 72.864 1.325 12.234 562 1HB SER 83 HB2 SER 83 71.249 3.172 11.902 563 2HB SER 83 HB1 SER 83 69.964 1.999 11.628 564 HG SER 83 HG SER 83 69.763 1.897 13.709 565 H GLY 84 HN GLY 84 69.918 -0.061 10.749 566 1HA GLY 84 HA2 GLY 84 70.603 -2.690 11.922 567 2HA GLY 84 HA1 GLY 84 69.056 -1.983 12.394 568 H CYS 85 HN CYS 85 67.365 -2.557 11.152 569 HA CYS 85 HA CYS 85 66.204 -3.553 9.355 570 1HB CYS 85 HB2 CYS 85 67.084 -1.118 8.778 571 2HB CYS 85 HB1 CYS 85 68.086 -1.977 7.623 572 H THR 86 HN THR 86 66.934 -4.295 6.816 573 HA THR 86 HA THR 86 69.463 -5.534 6.462 574 HB THR 86 HB THR 86 69.050 -6.886 8.349 575 HG1 THR 86 HG1 THR 86 67.896 -8.615 6.515 576 1HG2 THR 86 HG21 THR 86 66.276 -7.500 7.304 577 2HG2 THR 86 HG22 THR 86 66.599 -6.220 8.474 578 3HG2 THR 86 HG23 THR 86 66.937 -7.899 8.890 579 H PHE 87 HN PHE 87 69.565 -6.379 4.409 580 HA PHE 87 HA PHE 87 66.961 -6.664 2.937 581 1HB PHE 87 HB2 PHE 87 69.652 -6.131 1.680 582 2HB PHE 87 HB1 PHE 87 68.057 -5.788 1.030 583 HD1 PHE 87 HD1 PHE 87 67.032 -4.592 3.790 584 HD2 PHE 87 HD2 PHE 87 70.452 -3.875 1.282 585 HE1 PHE 87 HE1 PHE 87 67.200 -2.271 4.675 586 HE2 PHE 87 HE2 PHE 87 70.600 -1.561 2.158 587 HZ PHE 87 HZ PHE 87 68.983 -0.765 3.853 588 H SER 88 HN SER 88 67.213 -8.218 1.010 589 HA SER 88 HA SER 88 69.290 -10.269 1.156 590 1HB SER 88 HB2 SER 88 66.461 -11.043 1.900 591 2HB SER 88 HB1 SER 88 67.904 -12.044 1.996 592 HG SER 88 HG SER 88 66.899 -10.549 3.880 593 H ALA 89 HN ALA 89 67.775 -8.440 -0.752 594 HA ALA 89 HA ALA 89 66.957 -8.548 -2.960 595 1HB ALA 89 HB1 ALA 89 69.062 -9.773 -3.215 596 2HB ALA 89 HB2 ALA 89 67.818 -10.545 -4.200 597 3HB ALA 89 HB3 ALA 89 68.290 -11.258 -2.657 598 H ASN 90 HN ASN 90 64.708 -8.591 -2.108 599 HA ASN 90 HA ASN 90 63.299 -10.982 -1.446 600 1HB ASN 90 HB2 ASN 90 61.451 -9.546 -1.403 601 2HB ASN 90 HB1 ASN 90 62.781 -8.404 -1.229 602 1HD2 ASN 90 HD2 ASN 90 63.725 -8.092 -3.814 603 2HD2 ASN 90 HD2 ASN 90 62.497 -7.505 -4.828 Start of MODEL 15 1 1H ASP 1 HT1 ASP 1 47.394 9.642 0.408 2 2H ASP 1 HT2 ASP 1 48.892 9.490 -0.378 3 3H ASP 1 HT3 ASP 1 48.807 9.417 1.317 4 HA ASP 1 HA ASP 1 49.007 7.226 -0.067 5 1HB ASP 1 HB2 ASP 1 47.963 6.167 1.852 6 2HB ASP 1 HB1 ASP 1 48.756 7.641 2.409 7 H GLY 2 HN GLY 2 47.168 5.409 -0.239 8 1HA GLY 2 HA2 GLY 2 44.760 5.082 -0.835 9 2HA GLY 2 HA1 GLY 2 44.864 6.596 -1.735 10 H SER 3 HN SER 3 44.973 6.248 -3.896 11 HA SER 3 HA SER 3 45.473 3.737 -5.134 12 1HB SER 3 HB2 SER 3 45.123 4.959 -7.075 13 2HB SER 3 HB1 SER 3 44.472 6.095 -5.898 14 HG SER 3 HG SER 3 46.238 7.316 -6.081 15 H CYS 4 HN CYS 4 47.657 6.461 -4.437 16 HA CYS 4 HA CYS 4 49.957 5.813 -5.836 17 1HB CYS 4 HB2 CYS 4 49.868 7.739 -4.429 18 2HB CYS 4 HB1 CYS 4 49.491 6.770 -3.005 19 H THR 5 HN THR 5 51.586 4.248 -5.659 20 HA THR 5 HA THR 5 51.920 2.538 -3.359 21 HB THR 5 HB THR 5 50.383 1.563 -5.783 22 HG1 THR 5 HG1 THR 5 49.135 0.701 -3.905 23 1HG2 THR 5 HG21 THR 5 50.623 -0.657 -4.306 24 2HG2 THR 5 HG22 THR 5 52.155 0.105 -3.883 25 3HG2 THR 5 HG23 THR 5 51.782 -0.251 -5.571 26 H ASN 6 HN ASN 6 52.076 1.431 -6.708 27 HA ASN 6 HA ASN 6 54.604 2.319 -7.529 28 1HB ASN 6 HB2 ASN 6 55.938 0.234 -6.693 29 2HB ASN 6 HB1 ASN 6 55.604 1.541 -5.554 30 1HD2 ASN 6 HD2 ASN 6 54.791 0.813 -3.594 31 2HD2 ASN 6 HD2 ASN 6 53.871 -0.598 -3.377 32 H THR 7 HN THR 7 52.881 1.824 -9.294 33 HA THR 7 HA THR 7 52.366 0.570 -11.230 34 HB THR 7 HB THR 7 54.578 -1.280 -10.326 35 HG1 THR 7 HG1 THR 7 55.817 0.400 -11.623 36 1HG2 THR 7 HG21 THR 7 54.925 -0.742 -12.976 37 2HG2 THR 7 HG22 THR 7 53.171 -0.613 -12.835 38 3HG2 THR 7 HG23 THR 7 53.987 -2.103 -12.362 39 H ASN 8 HN ASN 8 53.492 -2.017 -9.025 40 HA ASN 8 HA ASN 8 51.494 -3.898 -9.621 41 1HB ASN 8 HB2 ASN 8 53.354 -4.599 -8.365 42 2HB ASN 8 HB1 ASN 8 53.206 -3.259 -7.231 43 1HD2 ASN 8 HD2 ASN 8 50.321 -5.055 -8.150 44 2HD2 ASN 8 HD2 ASN 8 50.120 -5.841 -6.661 45 H SER 9 HN SER 9 51.488 -1.432 -7.035 46 HA SER 9 HA SER 9 49.655 -0.300 -6.066 47 1HB SER 9 HB2 SER 9 48.854 -0.881 -8.568 48 2HB SER 9 HB1 SER 9 47.695 -1.855 -7.668 49 HG SER 9 HG SER 9 47.653 0.311 -6.369 50 H GLN 10 HN GLN 10 50.653 -2.447 -4.621 51 HA GLN 10 HA GLN 10 48.175 -3.881 -3.737 52 1HB GLN 10 HB2 GLN 10 49.553 -5.689 -3.775 53 2HB GLN 10 HB1 GLN 10 50.857 -4.658 -4.351 54 1HG GLN 10 HG2 GLN 10 51.717 -5.611 -2.383 55 2HG GLN 10 HG1 GLN 10 51.187 -4.013 -1.883 56 1HE2 GLN 10 HE21 GLN 10 49.951 -7.395 -2.077 57 2HE2 GLN 10 HE22 GLN 10 48.990 -7.282 -0.684 58 H LEU 11 HN LEU 11 50.820 -1.794 -2.847 59 HA LEU 11 HA LEU 11 51.467 -1.106 -0.579 60 1HB LEU 11 HB2 LEU 11 50.474 0.576 -2.185 61 2HB LEU 11 HB1 LEU 11 48.934 0.358 -1.353 62 HG LEU 11 HG LEU 11 49.837 1.161 0.719 63 1HD1 LEU 11 HD1 LEU 11 52.313 1.884 0.736 64 2HD1 LEU 11 HD1 LEU 11 52.486 0.886 -0.708 65 3HD1 LEU 11 HD1 LEU 11 51.984 0.153 0.814 66 1HD2 LEU 11 HD2 LEU 11 49.932 3.360 0.121 67 2HD2 LEU 11 HD2 LEU 11 49.601 2.745 -1.499 68 3HD2 LEU 11 HD2 LEU 11 51.259 3.095 -1.010 69 H SER 12 HN SER 12 51.177 -2.339 1.242 70 HA SER 12 HA SER 12 48.992 -3.666 2.259 71 1HB SER 12 HB2 SER 12 50.448 -3.856 3.979 72 2HB SER 12 HB1 SER 12 51.459 -2.649 3.191 73 HG SER 12 HG SER 12 50.062 -2.444 5.449 74 H ALA 13 HN ALA 13 47.253 -3.104 3.740 75 HA ALA 13 HA ALA 13 45.852 -0.680 3.096 76 1HB ALA 13 HB1 ALA 13 45.576 -3.061 4.812 77 2HB ALA 13 HB2 ALA 13 44.364 -2.248 3.823 78 3HB ALA 13 HB3 ALA 13 44.747 -1.632 5.431 79 H ASN 14 HN ASN 14 48.487 -1.216 5.175 80 HA ASN 14 HA ASN 14 47.851 1.303 6.677 81 1HB ASN 14 HB2 ASN 14 48.779 0.288 8.634 82 2HB ASN 14 HB1 ASN 14 47.731 -0.937 7.919 83 1HD2 ASN 14 HD2 ASN 14 51.174 0.080 8.081 84 2HD2 ASN 14 HD2 ASN 14 51.800 -1.470 7.801 85 H SER 15 HN SER 15 49.988 -0.282 4.552 86 HA SER 15 HA SER 15 52.511 0.833 5.359 87 1HB SER 15 HB2 SER 15 51.315 -0.646 3.154 88 2HB SER 15 HB1 SER 15 52.485 0.532 2.568 89 HG SER 15 HG SER 15 52.868 -1.495 4.519 90 H LYS 16 HN LYS 16 53.393 2.192 3.048 91 HA LYS 16 HA LYS 16 51.599 4.417 2.420 92 1HB LYS 16 HB2 LYS 16 52.715 4.564 4.861 93 2HB LYS 16 HB1 LYS 16 54.047 5.240 3.923 94 1HG LYS 16 HG2 LYS 16 52.276 6.752 2.824 95 2HG LYS 16 HG1 LYS 16 51.213 6.258 4.142 96 1HD LYS 16 HD2 LYS 16 53.058 6.974 5.742 97 2HD LYS 16 HD1 LYS 16 53.861 7.708 4.353 98 1HE LYS 16 HE2 LYS 16 51.567 8.893 3.942 99 2HE LYS 16 HE1 LYS 16 51.245 8.481 5.638 100 1HZ LYS 16 HZ1 LYS 16 53.561 9.376 6.079 101 2HZ LYS 16 HZ2 LYS 16 52.359 10.524 5.731 102 3HZ LYS 16 HZ3 LYS 16 53.482 10.077 4.538 103 H CYS 17 HN CYS 17 52.488 5.728 0.727 104 HA CYS 17 HA CYS 17 55.148 4.817 -0.327 105 1HB CYS 17 HB2 CYS 17 54.058 5.208 -2.587 106 2HB CYS 17 HB1 CYS 17 53.368 3.875 -1.661 107 H GLU 18 HN GLU 18 52.803 7.471 -0.048 108 HA GLU 18 HA GLU 18 53.130 9.812 -0.166 109 1HB GLU 18 HB2 GLU 18 55.583 8.532 0.839 110 2HB GLU 18 HB1 GLU 18 55.867 10.120 0.127 111 1HG GLU 18 HG2 GLU 18 53.708 9.580 2.181 112 2HG GLU 18 HG1 GLU 18 55.321 10.159 2.597 113 H LYS 19 HN LYS 19 55.237 11.286 -1.285 114 HA LYS 19 HA LYS 19 54.878 10.678 -4.154 115 1HB LYS 19 HB2 LYS 19 55.474 12.944 -2.411 116 2HB LYS 19 HB1 LYS 19 56.533 12.909 -3.822 117 1HG LYS 19 HG2 LYS 19 54.456 12.573 -5.241 118 2HG LYS 19 HG1 LYS 19 53.507 12.923 -3.795 119 1HD LYS 19 HD2 LYS 19 54.093 15.146 -3.780 120 2HD LYS 19 HD1 LYS 19 55.683 14.840 -4.479 121 1HE LYS 19 HE2 LYS 19 54.783 15.625 -6.422 122 2HE LYS 19 HE1 LYS 19 53.941 14.065 -6.508 123 1HZ LYS 19 HZ1 LYS 19 52.127 14.958 -5.251 124 2HZ LYS 19 HZ2 LYS 19 52.412 15.996 -6.565 125 3HZ LYS 19 HZ3 LYS 19 52.940 16.426 -5.007 126 H SER 20 HN SER 20 56.323 8.608 -3.446 127 HA SER 20 HA SER 20 59.214 9.279 -3.536 128 1HB SER 20 HB2 SER 20 59.489 6.980 -2.830 129 2HB SER 20 HB1 SER 20 58.180 7.678 -1.880 130 HG SER 20 HG SER 20 57.377 5.791 -2.630 131 H THR 21 HN THR 21 60.345 7.233 -4.841 132 HA THR 21 HA THR 21 59.290 7.501 -7.629 133 HB THR 21 HB THR 21 61.832 6.517 -7.824 134 HG1 THR 21 HG1 THR 21 62.133 8.341 -5.753 135 1HG2 THR 21 HG21 THR 21 61.279 8.451 -9.033 136 2HG2 THR 21 HG22 THR 21 62.478 9.036 -7.880 137 3HG2 THR 21 HG23 THR 21 60.762 9.320 -7.588 138 H LEU 22 HN LEU 22 58.888 5.435 -5.205 139 HA LEU 22 HA LEU 22 59.755 2.892 -5.665 140 1HB LEU 22 HB2 LEU 22 57.619 4.147 -4.394 141 2HB LEU 22 HB1 LEU 22 56.838 2.981 -5.464 142 HG LEU 22 HG LEU 22 58.310 1.196 -4.556 143 1HD1 LEU 22 HD1 LEU 22 60.194 2.672 -3.894 144 2HD1 LEU 22 HD1 LEU 22 59.658 1.661 -2.555 145 3HD1 LEU 22 HD1 LEU 22 59.191 3.360 -2.618 146 1HD2 LEU 22 HD2 LEU 22 57.177 2.374 -2.085 147 2HD2 LEU 22 HD2 LEU 22 56.867 0.805 -2.829 148 3HD2 LEU 22 HD2 LEU 22 56.056 2.247 -3.441 149 H THR 23 HN THR 23 58.917 1.072 -6.934 150 HA THR 23 HA THR 23 57.232 1.592 -9.278 151 HB THR 23 HB THR 23 60.205 1.011 -9.528 152 HG1 THR 23 HG1 THR 23 60.278 3.097 -9.471 153 1HG2 THR 23 HG21 THR 23 59.398 1.619 -12.025 154 2HG2 THR 23 HG22 THR 23 57.915 0.881 -11.419 155 3HG2 THR 23 HG23 THR 23 59.422 -0.035 -11.411 156 H ASN 24 HN ASN 24 56.099 -0.298 -9.497 157 HA ASN 24 HA ASN 24 55.580 -2.603 -9.412 158 1HB ASN 24 HB2 ASN 24 58.549 -2.491 -9.968 159 2HB ASN 24 HB1 ASN 24 57.692 -4.030 -9.893 160 1HD2 ASN 24 HD2 ASN 24 57.471 -4.636 -12.075 161 2HD2 ASN 24 HD2 ASN 24 56.815 -3.640 -13.283 162 H CYS 25 HN CYS 25 55.432 -1.703 -6.917 163 HA CYS 25 HA CYS 25 57.148 -3.541 -5.279 164 1HB CYS 25 HB2 CYS 25 56.693 -0.711 -5.186 165 2HB CYS 25 HB1 CYS 25 56.027 -1.420 -3.724 166 H TYR 26 HN TYR 26 55.653 -3.099 -2.891 167 HA TYR 26 HA TYR 26 52.852 -3.921 -3.388 168 1HB TYR 26 HB2 TYR 26 55.093 -5.635 -2.268 169 2HB TYR 26 HB1 TYR 26 53.417 -5.968 -1.863 170 HD1 TYR 26 HD1 TYR 26 51.985 -7.108 -3.398 171 HD2 TYR 26 HD2 TYR 26 55.818 -5.661 -4.693 172 HE1 TYR 26 HE1 TYR 26 51.744 -8.366 -5.516 173 HE2 TYR 26 HE2 TYR 26 55.572 -6.917 -6.817 174 HH TYR 26 HH TYR 26 54.384 -8.615 -7.820 175 H VAL 27 HN VAL 27 55.434 -3.978 -1.020 176 HA VAL 27 HA VAL 27 55.660 -3.108 1.145 177 HB VAL 27 HB VAL 27 53.527 -1.133 0.336 178 1HG1 VAL 27 HG11 VAL 27 54.342 -0.070 2.147 179 2HG1 VAL 27 HG12 VAL 27 55.936 -0.015 1.394 180 3HG1 VAL 27 HG13 VAL 27 55.486 -1.388 2.406 181 1HG2 VAL 27 HG21 VAL 27 55.827 0.001 -0.597 182 2HG2 VAL 27 HG22 VAL 27 54.704 -0.887 -1.626 183 3HG2 VAL 27 HG23 VAL 27 56.135 -1.691 -0.982 184 H ASP 28 HN ASP 28 54.856 -4.181 2.865 185 HA ASP 28 HA ASP 28 51.896 -4.589 3.065 186 1HB ASP 28 HB2 ASP 28 54.329 -6.200 3.557 187 2HB ASP 28 HB1 ASP 28 53.065 -6.371 4.776 188 H LYS 29 HN LYS 29 54.753 -3.341 4.628 189 HA LYS 29 HA LYS 29 53.165 -1.952 6.660 190 1HB LYS 29 HB2 LYS 29 54.520 -4.524 7.120 191 2HB LYS 29 HB1 LYS 29 54.990 -3.278 8.274 192 1HG LYS 29 HG2 LYS 29 52.789 -2.998 9.059 193 2HG LYS 29 HG1 LYS 29 52.085 -3.754 7.630 194 1HD LYS 29 HD2 LYS 29 51.933 -5.369 9.402 195 2HD LYS 29 HD1 LYS 29 53.233 -5.906 8.337 196 1HE LYS 29 HE2 LYS 29 54.385 -6.059 10.330 197 2HE LYS 29 HE1 LYS 29 54.646 -4.326 10.048 198 1HZ LYS 29 HZ1 LYS 29 52.432 -5.560 11.599 199 2HZ LYS 29 HZ2 LYS 29 52.518 -3.910 11.206 200 3HZ LYS 29 HZ3 LYS 29 53.692 -4.607 12.218 201 H SER 30 HN SER 30 54.640 -0.646 4.845 202 HA SER 30 HA SER 30 57.099 0.160 6.348 203 1HB SER 30 HB2 SER 30 56.800 -0.643 3.455 204 2HB SER 30 HB1 SER 30 58.190 0.263 4.042 205 HG SER 30 HG SER 30 57.288 -2.304 4.845 206 H GLU 31 HN GLU 31 57.775 2.309 5.964 207 HA GLU 31 HA GLU 31 55.727 4.071 4.652 208 1HB GLU 31 HB2 GLU 31 56.688 3.976 7.281 209 2HB GLU 31 HB1 GLU 31 57.569 5.321 6.551 210 1HG GLU 31 HG2 GLU 31 54.760 5.335 5.779 211 2HG GLU 31 HG1 GLU 31 54.953 5.403 7.530 212 H VAL 32 HN VAL 32 56.580 4.674 2.682 213 HA VAL 32 HA VAL 32 59.536 5.069 2.479 214 HB VAL 32 HB VAL 32 57.462 4.827 0.287 215 1HG1 VAL 32 HG11 VAL 32 59.740 3.702 -0.634 216 2HG1 VAL 32 HG12 VAL 32 60.426 4.877 0.487 217 3HG1 VAL 32 HG13 VAL 32 59.378 5.417 -0.825 218 1HG2 VAL 32 HG21 VAL 32 58.124 2.869 2.224 219 2HG2 VAL 32 HG22 VAL 32 59.007 2.425 0.765 220 3HG2 VAL 32 HG23 VAL 32 57.256 2.616 0.709 221 H TYR 33 HN TYR 33 60.299 6.950 1.236 222 HA TYR 33 HA TYR 33 58.343 9.221 1.166 223 1HB TYR 33 HB2 TYR 33 61.098 8.979 2.364 224 2HB TYR 33 HB1 TYR 33 60.458 10.553 1.904 225 HD1 TYR 33 HD1 TYR 33 58.781 11.646 3.199 226 HD2 TYR 33 HD2 TYR 33 59.836 7.565 4.046 227 HE1 TYR 33 HE1 TYR 33 57.459 11.736 5.295 228 HE2 TYR 33 HE2 TYR 33 58.514 7.659 6.138 229 HH TYR 33 HH TYR 33 57.329 8.940 7.504 230 H GLY 34 HN GLY 34 61.384 7.855 -0.133 231 1HA GLY 34 HA2 GLY 34 60.811 9.207 -2.700 232 2HA GLY 34 HA1 GLY 34 62.328 9.637 -1.922 233 H THR 35 HN THR 35 61.403 6.411 -1.303 234 HA THR 35 HA THR 35 63.708 5.294 -2.579 235 HB THR 35 HB THR 35 61.088 3.953 -1.852 236 HG1 THR 35 HG1 THR 35 62.620 3.642 0.120 237 1HG2 THR 35 HG21 THR 35 63.929 3.029 -2.228 238 2HG2 THR 35 HG22 THR 35 62.457 2.384 -2.955 239 3HG2 THR 35 HG23 THR 35 62.790 2.109 -1.245 240 H THR 36 HN THR 36 63.688 3.731 -4.402 241 HA THR 36 HA THR 36 61.750 4.563 -6.525 242 HB THR 36 HB THR 36 64.474 3.265 -6.798 243 HG1 THR 36 HG1 THR 36 65.177 5.134 -6.179 244 1HG2 THR 36 HG21 THR 36 64.167 3.452 -9.036 245 2HG2 THR 36 HG22 THR 36 63.453 5.059 -8.888 246 3HG2 THR 36 HG23 THR 36 62.455 3.625 -8.643 247 H CYS 37 HN CYS 37 62.963 1.866 -4.683 248 HA CYS 37 HA CYS 37 62.513 -0.463 -4.828 249 1HB CYS 37 HB2 CYS 37 60.467 0.291 -3.890 250 2HB CYS 37 HB1 CYS 37 59.953 1.030 -5.404 251 H THR 38 HN THR 38 63.915 -0.730 -6.793 252 HA THR 38 HA THR 38 62.687 -0.658 -9.443 253 HB THR 38 HB THR 38 65.244 -1.915 -8.387 254 HG1 THR 38 HG1 THR 38 64.542 0.644 -9.322 255 1HG2 THR 38 HG21 THR 38 65.442 -2.739 -10.468 256 2HG2 THR 38 HG22 THR 38 65.547 -1.077 -11.046 257 3HG2 THR 38 HG23 THR 38 63.986 -1.896 -10.998 258 H GLY 39 HN GLY 39 60.917 -2.139 -8.086 259 1HA GLY 39 HA2 GLY 39 59.779 -4.194 -8.512 260 2HA GLY 39 HA1 GLY 39 61.262 -4.844 -9.213 261 H SER 40 HN SER 40 59.855 -3.857 -6.085 262 HA SER 40 HA SER 40 61.022 -6.247 -4.799 263 1HB SER 40 HB2 SER 40 61.704 -3.762 -3.372 264 2HB SER 40 HB1 SER 40 62.707 -5.168 -3.708 265 HG SER 40 HG SER 40 62.329 -2.830 -5.159 266 H ARG 41 HN ARG 41 60.663 -5.391 -2.128 267 HA ARG 41 HA ARG 41 58.077 -4.090 -1.789 268 1HB ARG 41 HB2 ARG 41 56.727 -5.977 -1.463 269 2HB ARG 41 HB1 ARG 41 57.761 -6.493 -2.792 270 1HG ARG 41 HG2 ARG 41 59.321 -7.378 -0.874 271 2HG ARG 41 HG1 ARG 41 57.854 -7.299 0.102 272 1HD ARG 41 HD2 ARG 41 56.722 -8.883 -1.246 273 2HD ARG 41 HD1 ARG 41 57.863 -8.680 -2.589 274 HE ARG 41 HE ARG 41 59.090 -9.591 -0.083 275 1HH1 ARG 41 HH1 ARG 41 57.026 -11.628 -1.010 276 2HH1 ARG 41 HH1 ARG 41 57.997 -12.665 -2.002 277 1HH2 ARG 41 HH2 ARG 41 60.614 -10.405 -2.268 278 2HH2 ARG 41 HH2 ARG 41 60.028 -11.973 -2.713 279 H PHE 42 HN PHE 42 57.414 -4.093 0.529 280 HA PHE 42 HA PHE 42 59.733 -4.650 2.349 281 1HB PHE 42 HB2 PHE 42 57.625 -2.530 2.760 282 2HB PHE 42 HB1 PHE 42 59.244 -2.617 3.457 283 HD1 PHE 42 HD1 PHE 42 60.754 -3.404 0.961 284 HD2 PHE 42 HD2 PHE 42 57.747 -0.415 1.645 285 HE1 PHE 42 HE1 PHE 42 61.645 -2.077 -0.931 286 HE2 PHE 42 HE2 PHE 42 58.640 0.914 -0.250 287 HZ PHE 42 HZ PHE 42 60.588 0.078 -1.533 288 H ASP 43 HN ASP 43 58.387 -4.158 4.754 289 HA ASP 43 HA ASP 43 55.848 -5.357 5.103 290 1HB ASP 43 HB2 ASP 43 57.862 -7.157 4.219 291 2HB ASP 43 HB1 ASP 43 57.546 -7.543 5.910 292 H GLY 44 HN GLY 44 57.035 -3.313 6.439 293 1HA GLY 44 HA2 GLY 44 56.730 -3.044 8.913 294 2HA GLY 44 HA1 GLY 44 57.689 -4.514 9.099 295 H VAL 45 HN VAL 45 58.095 -1.445 7.268 296 HA VAL 45 HA VAL 45 60.722 -1.116 8.656 297 HB VAL 45 HB VAL 45 61.893 -0.999 6.620 298 1HG1 VAL 45 HG11 VAL 45 59.633 -2.965 6.183 299 2HG1 VAL 45 HG12 VAL 45 61.173 -3.295 6.977 300 3HG1 VAL 45 HG13 VAL 45 61.128 -2.943 5.249 301 1HG2 VAL 45 HG21 VAL 45 60.208 -1.060 4.461 302 2HG2 VAL 45 HG22 VAL 45 60.934 0.409 5.122 303 3HG2 VAL 45 HG23 VAL 45 59.301 -0.053 5.594 304 H THR 46 HN THR 46 61.581 1.121 7.295 305 HA THR 46 HA THR 46 59.448 3.134 7.119 306 HB THR 46 HB THR 46 61.498 3.134 9.358 307 HG1 THR 46 HG1 THR 46 59.985 1.896 10.157 308 1HG2 THR 46 HG21 THR 46 61.134 5.397 8.787 309 2HG2 THR 46 HG22 THR 46 60.004 5.105 10.108 310 3HG2 THR 46 HG23 THR 46 59.426 5.125 8.441 311 H ILE 47 HN ILE 47 61.107 2.509 5.099 312 HA ILE 47 HA ILE 47 63.610 4.035 5.201 313 HB ILE 47 HB ILE 47 63.329 1.893 3.994 314 1HG1 ILE 47 HG12 ILE 47 63.747 4.172 2.038 315 2HG1 ILE 47 HG11 ILE 47 64.958 3.673 3.220 316 1HG2 ILE 47 HG21 ILE 47 61.938 2.825 1.675 317 2HG2 ILE 47 HG22 ILE 47 60.946 3.190 3.088 318 3HG2 ILE 47 HG23 ILE 47 61.467 1.533 2.781 319 1HD1 ILE 47 HD1 ILE 47 65.001 1.418 2.268 320 2HD1 ILE 47 HD1 ILE 47 65.327 2.607 1.005 321 3HD1 ILE 47 HD1 ILE 47 63.734 1.859 1.122 322 H THR 48 HN THR 48 64.044 5.695 3.502 323 HA THR 48 HA THR 48 61.604 7.273 2.781 324 HB THR 48 HB THR 48 62.958 9.283 3.366 325 HG1 THR 48 HG1 THR 48 64.967 9.008 4.250 326 1HG2 THR 48 HG21 THR 48 63.052 7.325 5.663 327 2HG2 THR 48 HG22 THR 48 61.535 7.993 5.060 328 3HG2 THR 48 HG23 THR 48 62.767 9.065 5.725 329 H THR 49 HN THR 49 63.696 9.254 1.659 330 HA THR 49 HA THR 49 63.666 8.502 -1.047 331 HB THR 49 HB THR 49 65.661 10.118 0.571 332 HG1 THR 49 HG1 THR 49 64.403 11.834 -0.319 333 1HG2 THR 49 HG21 THR 49 66.591 10.932 -1.414 334 2HG2 THR 49 HG22 THR 49 65.209 10.424 -2.384 335 3HG2 THR 49 HG23 THR 49 66.356 9.224 -1.788 336 H SER 50 HN SER 50 64.776 6.896 -2.156 337 HA SER 50 HA SER 50 67.474 6.081 -1.429 338 1HB SER 50 HB2 SER 50 66.214 5.073 0.410 339 2HB SER 50 HB1 SER 50 65.105 4.317 -0.731 340 HG SER 50 HG SER 50 66.512 2.788 -1.015 341 H THR 51 HN THR 51 68.231 4.266 -2.856 342 HA THR 51 HA THR 51 66.543 4.082 -5.329 343 HB THR 51 HB THR 51 69.541 4.079 -4.873 344 HG1 THR 51 HG1 THR 51 69.242 6.127 -5.102 345 1HG2 THR 51 HG21 THR 51 69.621 2.897 -6.800 346 2HG2 THR 51 HG22 THR 51 69.095 4.386 -7.586 347 3HG2 THR 51 HG23 THR 51 67.909 3.162 -7.128 348 H SER 52 HN SER 52 67.063 2.293 -2.743 349 HA SER 52 HA SER 52 68.304 -0.100 -3.119 350 1HB SER 52 HB2 SER 52 66.568 -1.039 -1.749 351 2HB SER 52 HB1 SER 52 66.673 0.665 -1.315 352 HG SER 52 HG SER 52 64.969 0.958 -2.951 353 H THR 53 HN THR 53 68.249 -1.785 -4.587 354 HA THR 53 HA THR 53 65.952 -1.853 -6.527 355 HB THR 53 HB THR 53 68.945 -2.082 -6.910 356 HG1 THR 53 HG1 THR 53 68.569 -0.115 -7.492 357 1HG2 THR 53 HG21 THR 53 67.693 -3.931 -8.102 358 2HG2 THR 53 HG22 THR 53 68.589 -2.842 -9.162 359 3HG2 THR 53 HG23 THR 53 66.840 -2.676 -9.001 360 H GLY 54 HN GLY 54 64.847 -3.688 -5.877 361 1HA GLY 54 HA2 GLY 54 64.445 -5.973 -5.512 362 2HA GLY 54 HA1 GLY 54 66.011 -6.282 -6.262 363 H SER 55 HN SER 55 64.493 -5.333 -3.186 364 HA SER 55 HA SER 55 66.505 -6.922 -1.731 365 1HB SER 55 HB2 SER 55 67.170 -4.897 -0.390 366 2HB SER 55 HB1 SER 55 67.658 -4.812 -2.080 367 HG SER 55 HG SER 55 65.196 -3.769 -1.157 368 H ARG 56 HN ARG 56 65.426 -7.882 -0.060 369 HA ARG 56 HA ARG 56 62.716 -7.052 0.673 370 1HB ARG 56 HB2 ARG 56 63.698 -9.411 0.506 371 2HB ARG 56 HB1 ARG 56 64.561 -9.060 2.002 372 1HG ARG 56 HG2 ARG 56 62.719 -9.452 3.231 373 2HG ARG 56 HG1 ARG 56 61.769 -8.334 2.253 374 1HD ARG 56 HD2 ARG 56 60.841 -10.022 1.031 375 2HD ARG 56 HD1 ARG 56 62.385 -10.889 0.900 376 HE ARG 56 HE ARG 56 60.746 -10.914 3.411 377 1HH1 ARG 56 HH1 ARG 56 60.909 -12.984 0.973 378 2HH1 ARG 56 HH1 ARG 56 61.771 -14.254 1.775 379 1HH2 ARG 56 HH2 ARG 56 62.663 -12.295 4.492 380 2HH2 ARG 56 HH2 ARG 56 62.764 -13.865 3.767 381 H ILE 57 HN ILE 57 62.713 -5.078 1.830 382 HA ILE 57 HA ILE 57 64.775 -4.608 3.886 383 HB ILE 57 HB ILE 57 62.405 -3.002 2.862 384 1HG1 ILE 57 HG12 ILE 57 64.813 -1.766 2.181 385 2HG1 ILE 57 HG11 ILE 57 65.136 -3.480 1.924 386 1HG2 ILE 57 HG21 ILE 57 63.848 -1.122 3.945 387 2HG2 ILE 57 HG22 ILE 57 64.584 -2.433 4.867 388 3HG2 ILE 57 HG23 ILE 57 62.853 -2.123 5.003 389 1HD1 ILE 57 HD1 ILE 57 64.218 -2.527 -0.124 390 2HD1 ILE 57 HD1 ILE 57 62.832 -1.890 0.761 391 3HD1 ILE 57 HD1 ILE 57 63.037 -3.633 0.579 392 H SER 58 HN SER 58 62.350 -6.626 4.043 393 HA SER 58 HA SER 58 60.498 -5.876 6.016 394 1HB SER 58 HB2 SER 58 61.827 -8.358 5.067 395 2HB SER 58 HB1 SER 58 61.035 -8.468 6.635 396 HG SER 58 HG SER 58 59.709 -8.903 4.707 397 H GLY 59 HN GLY 59 60.525 -6.302 8.378 398 1HA GLY 59 HA2 GLY 59 62.568 -7.131 10.009 399 2HA GLY 59 HA1 GLY 59 63.067 -5.493 9.589 400 HA PRO 60 HA PRO 60 59.862 -5.507 13.038 401 1HB PRO 60 HB2 PRO 60 61.515 -5.124 15.183 402 2HB PRO 60 HB1 PRO 60 61.045 -6.737 14.609 403 1HG PRO 60 HG2 PRO 60 63.582 -5.248 14.208 404 2HG PRO 60 HG1 PRO 60 63.312 -6.982 14.429 405 1HD PRO 60 HD2 PRO 60 63.806 -5.772 12.004 406 2HD PRO 60 HD1 PRO 60 62.989 -7.337 12.202 407 H GLY 61 HN GLY 61 60.409 -3.485 11.291 408 1HA GLY 61 HA2 GLY 61 59.861 -1.109 11.642 409 2HA GLY 61 HA1 GLY 61 60.874 -1.147 13.088 410 H CYS 62 HN CYS 62 61.974 -2.835 10.279 411 HA CYS 62 HA CYS 62 64.514 -1.824 10.077 412 1HB CYS 62 HB2 CYS 62 63.152 -3.558 8.676 413 2HB CYS 62 HB1 CYS 62 62.827 -2.197 7.612 414 H LYS 63 HN LYS 63 64.915 0.360 10.383 415 HA LYS 63 HA LYS 63 63.382 2.373 8.815 416 1HB LYS 63 HB2 LYS 63 63.645 2.810 11.165 417 2HB LYS 63 HB1 LYS 63 65.367 2.427 11.104 418 1HG LYS 63 HG2 LYS 63 65.583 4.383 9.456 419 2HG LYS 63 HG1 LYS 63 63.957 4.845 9.964 420 1HD LYS 63 HD2 LYS 63 65.164 4.416 12.381 421 2HD LYS 63 HD1 LYS 63 66.512 5.041 11.430 422 1HE LYS 63 HE2 LYS 63 64.747 6.855 10.665 423 2HE LYS 63 HE1 LYS 63 63.938 6.396 12.176 424 1HZ LYS 63 HZ1 LYS 63 65.749 8.180 12.303 425 2HZ LYS 63 HZ2 LYS 63 66.848 6.902 12.091 426 3HZ LYS 63 HZ3 LYS 63 65.807 6.918 13.434 427 H ILE 64 HN ILE 64 64.448 3.720 7.270 428 HA ILE 64 HA ILE 64 67.355 3.405 6.875 429 HB ILE 64 HB ILE 64 65.240 2.514 4.896 430 1HG1 ILE 64 HG12 ILE 64 67.450 1.093 6.411 431 2HG1 ILE 64 HG11 ILE 64 65.713 0.824 6.556 432 1HG2 ILE 64 HG21 ILE 64 68.092 2.090 4.261 433 2HG2 ILE 64 HG22 ILE 64 67.580 3.777 4.224 434 3HG2 ILE 64 HG23 ILE 64 66.767 2.587 3.208 435 1HD1 ILE 64 HD1 ILE 64 67.029 -0.858 5.126 436 2HD1 ILE 64 HD1 ILE 64 67.163 0.436 3.936 437 3HD1 ILE 64 HD1 ILE 64 65.574 -0.167 4.406 438 H SER 65 HN SER 65 68.255 5.179 5.772 439 HA SER 65 HA SER 65 66.330 7.174 4.632 440 1HB SER 65 HB2 SER 65 68.509 8.481 5.963 441 2HB SER 65 HB1 SER 65 66.789 8.576 6.334 442 HG SER 65 HG SER 65 68.691 7.415 7.738 443 H THR 66 HN THR 66 66.961 7.153 2.501 444 HA THR 66 HA THR 66 68.337 7.448 0.611 445 HB THR 66 HB THR 66 70.275 8.659 2.582 446 HG1 THR 66 HG1 THR 66 68.926 10.249 2.894 447 1HG2 THR 66 HG21 THR 66 71.240 9.539 0.745 448 2HG2 THR 66 HG22 THR 66 69.685 10.077 0.110 449 3HG2 THR 66 HG23 THR 66 70.243 8.432 -0.201 450 H CYS 67 HN CYS 67 68.655 5.037 0.624 451 HA CYS 67 HA CYS 67 71.553 4.435 1.025 452 1HB CYS 67 HB2 CYS 67 69.708 3.507 2.763 453 2HB CYS 67 HB1 CYS 67 69.595 2.252 1.544 454 H ILE 68 HN ILE 68 72.325 3.934 -0.948 455 HA ILE 68 HA ILE 68 70.590 3.072 -3.123 456 HB ILE 68 HB ILE 68 73.579 3.320 -2.717 457 1HG1 ILE 68 HG12 ILE 68 71.616 5.249 -2.998 458 2HG1 ILE 68 HG11 ILE 68 73.326 5.481 -3.339 459 1HG2 ILE 68 HG21 ILE 68 73.196 1.624 -4.407 460 2HG2 ILE 68 HG22 ILE 68 73.693 3.110 -5.218 461 3HG2 ILE 68 HG23 ILE 68 71.992 2.636 -5.204 462 1HD1 ILE 68 HD1 ILE 68 71.955 6.195 -5.246 463 2HD1 ILE 68 HD1 ILE 68 71.238 4.584 -5.331 464 3HD1 ILE 68 HD1 ILE 68 72.955 4.803 -5.668 465 H ILE 69 HN ILE 69 69.735 1.013 -2.693 466 HA ILE 69 HA ILE 69 71.725 -1.108 -1.999 467 HB ILE 69 HB ILE 69 68.725 -1.157 -1.586 468 1HG1 ILE 69 HG12 ILE 69 70.819 -0.291 0.441 469 2HG1 ILE 69 HG11 ILE 69 69.848 0.844 -0.486 470 1HG2 ILE 69 HG21 ILE 69 69.172 -2.928 -0.073 471 2HG2 ILE 69 HG22 ILE 69 70.889 -2.537 0.004 472 3HG2 ILE 69 HG23 ILE 69 70.215 -3.260 -1.455 473 1HD1 ILE 69 HD1 ILE 69 68.496 0.662 1.349 474 2HD1 ILE 69 HD1 ILE 69 69.038 -0.976 1.718 475 3HD1 ILE 69 HD1 ILE 69 67.869 -0.704 0.424 476 H THR 70 HN THR 70 71.448 -3.186 -3.091 477 HA THR 70 HA THR 70 69.584 -3.360 -5.368 478 HB THR 70 HB THR 70 72.592 -3.136 -5.701 479 HG1 THR 70 HG1 THR 70 72.003 -1.287 -6.891 480 1HG2 THR 70 HG21 THR 70 72.248 -3.530 -8.034 481 2HG2 THR 70 HG22 THR 70 70.495 -3.457 -7.854 482 3HG2 THR 70 HG23 THR 70 71.395 -4.818 -7.183 483 H GLY 71 HN GLY 71 68.887 -5.416 -4.694 484 1HA GLY 71 HA2 GLY 71 69.122 -7.797 -4.857 485 2HA GLY 71 HA1 GLY 71 70.870 -7.581 -4.979 486 H GLY 72 HN GLY 72 69.096 -5.918 -2.496 487 1HA GLY 72 HA2 GLY 72 68.893 -6.381 -0.181 488 2HA GLY 72 HA1 GLY 72 69.619 -7.964 -0.464 489 H VAL 73 HN VAL 73 71.293 -5.316 -1.852 490 HA VAL 73 HA VAL 73 73.279 -5.345 0.408 491 HB VAL 73 HB VAL 73 74.993 -5.368 -1.328 492 1HG1 VAL 73 HG11 VAL 73 73.547 -7.495 -0.669 493 2HG1 VAL 73 HG12 VAL 73 74.730 -7.587 -1.973 494 3HG1 VAL 73 HG13 VAL 73 73.018 -7.382 -2.348 495 1HG2 VAL 73 HG21 VAL 73 73.739 -5.781 -3.729 496 2HG2 VAL 73 HG22 VAL 73 74.353 -4.218 -3.191 497 3HG2 VAL 73 HG23 VAL 73 72.648 -4.620 -2.968 498 HA PRO 74 HA PRO 74 72.725 -0.935 -0.024 499 1HB PRO 74 HB2 PRO 74 74.430 -0.214 1.979 500 2HB PRO 74 HB1 PRO 74 72.813 -0.869 2.292 501 1HG PRO 74 HG2 PRO 74 75.457 -2.173 2.523 502 2HG PRO 74 HG1 PRO 74 73.974 -2.449 3.447 503 1HD PRO 74 HD2 PRO 74 74.931 -4.054 1.376 504 2HD PRO 74 HD1 PRO 74 73.282 -4.078 2.037 505 H ALA 75 HN ALA 75 73.946 0.747 -1.013 506 HA ALA 75 HA ALA 75 76.397 -0.005 -2.404 507 1HB ALA 75 HB1 ALA 75 74.426 1.616 -3.013 508 2HB ALA 75 HB2 ALA 75 76.055 2.076 -3.479 509 3HB ALA 75 HB3 ALA 75 75.311 2.794 -2.052 510 HA PRO 76 HA PRO 76 79.326 1.912 0.349 511 1HB PRO 76 HB2 PRO 76 80.196 4.364 -0.495 512 2HB PRO 76 HB1 PRO 76 80.668 2.841 -1.273 513 1HG PRO 76 HG2 PRO 76 78.706 4.876 -2.139 514 2HG PRO 76 HG1 PRO 76 79.747 3.823 -3.105 515 1HD PRO 76 HD2 PRO 76 77.047 3.433 -2.660 516 2HD PRO 76 HD1 PRO 76 78.184 2.178 -3.197 517 H SER 77 HN SER 77 76.355 3.188 0.260 518 HA SER 77 HA SER 77 75.118 4.676 1.609 519 1HB SER 77 HB2 SER 77 76.053 4.511 4.024 520 2HB SER 77 HB1 SER 77 75.564 3.019 3.228 521 HG SER 77 HG SER 77 77.900 3.568 4.246 522 H ALA 78 HN ALA 78 76.791 6.226 0.015 523 HA ALA 78 HA ALA 78 78.673 7.919 1.241 524 1HB ALA 78 HB1 ALA 78 76.991 7.831 -1.098 525 2HB ALA 78 HB2 ALA 78 78.513 8.696 -0.881 526 3HB ALA 78 HB3 ALA 78 76.988 9.473 -0.456 527 H ALA 79 HN ALA 79 75.237 7.700 1.687 528 HA ALA 79 HA ALA 79 75.323 9.596 3.940 529 1HB ALA 79 HB1 ALA 79 74.847 10.589 1.428 530 2HB ALA 79 HB2 ALA 79 74.203 11.313 2.902 531 3HB ALA 79 HB3 ALA 79 73.208 10.209 1.955 532 H CYS 80 HN CYS 80 74.807 6.783 3.714 533 HA CYS 80 HA CYS 80 71.845 6.574 4.067 534 1HB CYS 80 HB2 CYS 80 72.569 5.103 2.389 535 2HB CYS 80 HB1 CYS 80 74.088 4.760 3.209 536 H LYS 81 HN LYS 81 71.144 5.052 5.763 537 HA LYS 81 HA LYS 81 72.739 5.352 8.255 538 1HB LYS 81 HB2 LYS 81 70.595 4.754 9.312 539 2HB LYS 81 HB1 LYS 81 70.327 6.030 8.125 540 1HG LYS 81 HG2 LYS 81 68.663 4.603 7.447 541 2HG LYS 81 HG1 LYS 81 69.986 3.902 6.521 542 1HD LYS 81 HD2 LYS 81 70.034 2.793 9.162 543 2HD LYS 81 HD1 LYS 81 68.397 2.661 8.535 544 1HE LYS 81 HE2 LYS 81 70.930 1.457 7.441 545 2HE LYS 81 HE1 LYS 81 69.366 0.684 7.715 546 1HZ LYS 81 HZ1 LYS 81 68.656 2.573 6.013 547 2HZ LYS 81 HZ2 LYS 81 69.171 1.042 5.504 548 3HZ LYS 81 HZ3 LYS 81 70.250 2.352 5.493 549 H ILE 82 HN ILE 82 72.523 3.302 9.701 550 HA ILE 82 HA ILE 82 72.329 0.727 8.307 551 HB ILE 82 HB ILE 82 74.959 1.914 9.240 552 1HG1 ILE 82 HG12 ILE 82 74.418 2.462 6.925 553 2HG1 ILE 82 HG11 ILE 82 75.690 1.251 6.936 554 1HG2 ILE 82 HG21 ILE 82 74.063 -0.858 9.226 555 2HG2 ILE 82 HG22 ILE 82 75.537 -0.161 9.896 556 3HG2 ILE 82 HG23 ILE 82 75.473 -0.619 8.194 557 1HD1 ILE 82 HD1 ILE 82 74.420 -0.156 5.730 558 2HD1 ILE 82 HD1 ILE 82 73.169 1.081 5.623 559 3HD1 ILE 82 HD1 ILE 82 73.145 -0.095 6.940 560 H SER 83 HN SER 83 70.780 1.536 10.366 561 HA SER 83 HA SER 83 72.000 0.588 12.907 562 1HB SER 83 HB2 SER 83 70.719 2.745 12.678 563 2HB SER 83 HB1 SER 83 69.281 1.796 12.311 564 HG SER 83 HG SER 83 70.861 1.444 14.641 565 H GLY 84 HN GLY 84 68.833 0.073 13.359 566 1HA GLY 84 HA2 GLY 84 69.099 -2.818 13.122 567 2HA GLY 84 HA1 GLY 84 67.688 -1.953 13.731 568 H CYS 85 HN CYS 85 69.238 -3.235 10.869 569 HA CYS 85 HA CYS 85 66.654 -3.375 9.500 570 1HB CYS 85 HB2 CYS 85 68.378 -1.108 9.178 571 2HB CYS 85 HB1 CYS 85 68.385 -2.017 7.670 572 H THR 86 HN THR 86 67.152 -4.210 7.122 573 HA THR 86 HA THR 86 69.644 -5.535 6.584 574 HB THR 86 HB THR 86 69.177 -6.966 8.409 575 HG1 THR 86 HG1 THR 86 67.833 -8.380 6.393 576 1HG2 THR 86 HG21 THR 86 66.312 -7.108 7.421 577 2HG2 THR 86 HG22 THR 86 66.867 -6.150 8.793 578 3HG2 THR 86 HG23 THR 86 66.954 -7.910 8.855 579 H PHE 87 HN PHE 87 69.573 -6.569 4.538 580 HA PHE 87 HA PHE 87 66.949 -6.312 3.095 581 1HB PHE 87 HB2 PHE 87 69.591 -6.367 1.676 582 2HB PHE 87 HB1 PHE 87 68.118 -5.502 1.253 583 HD1 PHE 87 HD1 PHE 87 71.172 -4.593 1.603 584 HD2 PHE 87 HD2 PHE 87 67.590 -4.190 3.948 585 HE1 PHE 87 HE1 PHE 87 72.085 -2.546 2.659 586 HE2 PHE 87 HE2 PHE 87 68.514 -2.143 5.007 587 HZ PHE 87 HZ PHE 87 70.762 -1.322 4.360 588 H SER 88 HN SER 88 66.778 -7.947 1.243 589 HA SER 88 HA SER 88 68.399 -10.406 1.644 590 1HB SER 88 HB2 SER 88 66.059 -10.042 2.997 591 2HB SER 88 HB1 SER 88 65.464 -10.805 1.525 592 HG SER 88 HG SER 88 66.030 -12.405 2.976 593 H ALA 89 HN ALA 89 67.789 -8.304 -0.526 594 HA ALA 89 HA ALA 89 67.330 -8.286 -2.849 595 1HB ALA 89 HB1 ALA 89 68.960 -9.644 -3.624 596 2HB ALA 89 HB2 ALA 89 67.959 -11.060 -3.306 597 3HB ALA 89 HB3 ALA 89 69.020 -10.429 -2.047 598 H ASN 90 HN ASN 90 64.932 -8.377 -1.796 599 HA ASN 90 HA ASN 90 63.399 -10.773 -2.026 600 1HB ASN 90 HB2 ASN 90 61.766 -9.381 -1.252 601 2HB ASN 90 HB1 ASN 90 63.058 -8.203 -1.108 602 1HD2 ASN 90 HD2 ASN 90 60.001 -8.449 -2.218 603 2HD2 ASN 90 HD2 ASN 90 60.039 -7.331 -3.495 Start of MODEL 16 1 1H ASP 1 HT1 ASP 1 49.409 6.813 0.535 2 2H ASP 1 HT2 ASP 1 48.160 5.920 -0.193 3 3H ASP 1 HT3 ASP 1 48.572 5.642 1.432 4 HA ASP 1 HA ASP 1 46.503 6.975 1.155 5 1HB ASP 1 HB2 ASP 1 48.048 6.929 3.134 6 2HB ASP 1 HB1 ASP 1 48.882 8.329 2.462 7 H GLY 2 HN GLY 2 48.416 7.538 -1.259 8 1HA GLY 2 HA2 GLY 2 47.330 10.253 -1.763 9 2HA GLY 2 HA1 GLY 2 49.075 10.036 -1.911 10 H SER 3 HN SER 3 49.601 9.875 -4.031 11 HA SER 3 HA SER 3 47.761 8.335 -5.830 12 1HB SER 3 HB2 SER 3 49.357 10.824 -6.032 13 2HB SER 3 HB1 SER 3 49.390 9.797 -7.463 14 HG SER 3 HG SER 3 47.469 11.428 -6.653 15 H CYS 4 HN CYS 4 49.648 6.959 -4.196 16 HA CYS 4 HA CYS 4 51.996 6.362 -5.907 17 1HB CYS 4 HB2 CYS 4 51.118 5.246 -3.225 18 2HB CYS 4 HB1 CYS 4 52.739 5.166 -3.923 19 H THR 5 HN THR 5 51.778 4.790 -7.446 20 HA THR 5 HA THR 5 49.923 2.498 -6.878 21 HB THR 5 HB THR 5 50.513 4.050 -9.416 22 HG1 THR 5 HG1 THR 5 48.867 4.582 -7.627 23 1HG2 THR 5 HG21 THR 5 50.291 1.500 -9.684 24 2HG2 THR 5 HG22 THR 5 49.219 2.501 -10.654 25 3HG2 THR 5 HG23 THR 5 48.614 1.713 -9.200 26 H ASN 6 HN ASN 6 53.116 3.493 -7.659 27 HA ASN 6 HA ASN 6 55.003 2.302 -8.467 28 1HB ASN 6 HB2 ASN 6 55.444 0.450 -7.030 29 2HB ASN 6 HB1 ASN 6 54.381 1.499 -6.097 30 1HD2 ASN 6 HD2 ASN 6 52.253 0.726 -5.600 31 2HD2 ASN 6 HD2 ASN 6 51.755 -0.858 -5.952 32 H THR 7 HN THR 7 52.933 2.274 -10.384 33 HA THR 7 HA THR 7 52.588 1.187 -12.461 34 HB THR 7 HB THR 7 54.066 -1.199 -11.372 35 HG1 THR 7 HG1 THR 7 55.894 0.187 -12.355 36 1HG2 THR 7 HG21 THR 7 52.983 -0.860 -13.755 37 2HG2 THR 7 HG22 THR 7 54.569 -1.616 -13.598 38 3HG2 THR 7 HG23 THR 7 54.441 0.085 -14.051 39 H ASN 8 HN ASN 8 51.530 0.089 -9.448 40 HA ASN 8 HA ASN 8 49.246 -1.286 -10.695 41 1HB ASN 8 HB2 ASN 8 50.844 -3.088 -10.681 42 2HB ASN 8 HB1 ASN 8 51.329 -2.715 -9.025 43 1HD2 ASN 8 HD2 ASN 8 47.932 -2.450 -9.808 44 2HD2 ASN 8 HD2 ASN 8 47.438 -3.851 -8.997 45 H SER 9 HN SER 9 50.982 -0.924 -7.605 46 HA SER 9 HA SER 9 50.255 0.160 -5.617 47 1HB SER 9 HB2 SER 9 48.431 1.514 -5.772 48 2HB SER 9 HB1 SER 9 48.497 1.094 -7.478 49 HG SER 9 HG SER 9 46.611 0.237 -7.180 50 H GLN 10 HN GLN 10 50.677 -1.785 -4.468 51 HA GLN 10 HA GLN 10 48.205 -3.353 -3.824 52 1HB GLN 10 HB2 GLN 10 50.507 -5.003 -3.488 53 2HB GLN 10 HB1 GLN 10 49.198 -5.213 -4.647 54 1HG GLN 10 HG2 GLN 10 50.464 -3.489 -6.096 55 2HG GLN 10 HG1 GLN 10 51.830 -3.793 -5.024 56 1HE2 GLN 10 HE21 GLN 10 50.332 -6.700 -4.928 57 2HE2 GLN 10 HE22 GLN 10 51.052 -7.463 -6.257 58 H LEU 11 HN LEU 11 49.667 -1.051 -2.581 59 HA LEU 11 HA LEU 11 51.286 -1.556 -0.422 60 1HB LEU 11 HB2 LEU 11 48.907 0.218 -0.866 61 2HB LEU 11 HB1 LEU 11 49.693 0.214 0.713 62 HG LEU 11 HG LEU 11 50.727 1.947 -0.600 63 1HD1 LEU 11 HD1 LEU 11 52.137 -0.190 0.493 64 2HD1 LEU 11 HD1 LEU 11 52.803 1.387 0.069 65 3HD1 LEU 11 HD1 LEU 11 52.885 0.052 -1.085 66 1HD2 LEU 11 HD2 LEU 11 51.595 1.625 -2.808 67 2HD2 LEU 11 HD2 LEU 11 49.985 0.903 -2.810 68 3HD2 LEU 11 HD2 LEU 11 51.410 -0.127 -2.691 69 H SER 12 HN SER 12 51.114 -3.440 0.667 70 HA SER 12 HA SER 12 48.684 -4.775 1.381 71 1HB SER 12 HB2 SER 12 51.526 -4.867 2.406 72 2HB SER 12 HB1 SER 12 50.285 -5.994 2.947 73 HG SER 12 HG SER 12 50.844 -5.537 0.209 74 H ALA 13 HN ALA 13 47.999 -2.278 2.201 75 HA ALA 13 HA ALA 13 47.192 -1.082 4.077 76 1HB ALA 13 HB1 ALA 13 47.728 -3.637 5.595 77 2HB ALA 13 HB2 ALA 13 46.445 -3.552 4.388 78 3HB ALA 13 HB3 ALA 13 46.397 -2.499 5.803 79 H ASN 14 HN ASN 14 47.958 -0.007 6.002 80 HA ASN 14 HA ASN 14 49.565 0.724 7.580 81 1HB ASN 14 HB2 ASN 14 49.696 -1.935 7.597 82 2HB ASN 14 HB1 ASN 14 51.281 -1.628 6.893 83 1HD2 ASN 14 HD2 ASN 14 52.363 0.442 8.201 84 2HD2 ASN 14 HD2 ASN 14 52.370 0.211 9.881 85 H SER 15 HN SER 15 50.203 0.315 4.260 86 HA SER 15 HA SER 15 52.999 1.094 4.236 87 1HB SER 15 HB2 SER 15 52.738 0.696 2.018 88 2HB SER 15 HB1 SER 15 51.163 0.058 2.483 89 HG SER 15 HG SER 15 50.265 2.064 2.045 90 H LYS 16 HN LYS 16 53.532 3.209 2.898 91 HA LYS 16 HA LYS 16 51.699 5.465 3.340 92 1HB LYS 16 HB2 LYS 16 53.943 4.752 5.141 93 2HB LYS 16 HB1 LYS 16 53.876 6.451 4.667 94 1HG LYS 16 HG2 LYS 16 52.233 6.780 6.168 95 2HG LYS 16 HG1 LYS 16 51.215 5.653 5.271 96 1HD LYS 16 HD2 LYS 16 51.958 3.793 6.560 97 2HD LYS 16 HD1 LYS 16 53.297 4.710 7.247 98 1HE LYS 16 HE2 LYS 16 51.937 5.176 9.007 99 2HE LYS 16 HE1 LYS 16 50.975 6.181 7.904 100 1HZ LYS 16 HZ1 LYS 16 49.464 4.587 8.629 101 2HZ LYS 16 HZ2 LYS 16 50.609 3.332 8.600 102 3HZ LYS 16 HZ3 LYS 16 49.992 3.957 7.145 103 H CYS 17 HN CYS 17 52.402 7.347 2.168 104 HA CYS 17 HA CYS 17 55.027 7.464 0.909 105 1HB CYS 17 HB2 CYS 17 54.359 6.940 -1.328 106 2HB CYS 17 HB1 CYS 17 53.691 5.660 -0.319 107 H GLU 18 HN GLU 18 54.634 9.200 -1.124 108 HA GLU 18 HA GLU 18 52.613 11.231 -0.578 109 1HB GLU 18 HB2 GLU 18 54.058 11.540 1.364 110 2HB GLU 18 HB1 GLU 18 55.486 11.598 0.331 111 1HG GLU 18 HG2 GLU 18 54.904 13.695 -0.569 112 2HG GLU 18 HG1 GLU 18 53.221 13.548 -0.062 113 H LYS 19 HN LYS 19 55.837 10.549 -1.949 114 HA LYS 19 HA LYS 19 55.088 11.333 -4.618 115 1HB LYS 19 HB2 LYS 19 55.034 13.526 -3.415 116 2HB LYS 19 HB1 LYS 19 56.737 13.311 -3.010 117 1HG LYS 19 HG2 LYS 19 56.948 14.565 -4.943 118 2HG LYS 19 HG1 LYS 19 56.953 12.941 -5.636 119 1HD LYS 19 HD2 LYS 19 54.278 14.142 -5.214 120 2HD LYS 19 HD1 LYS 19 55.270 14.906 -6.457 121 1HE LYS 19 HE2 LYS 19 55.669 12.593 -7.427 122 2HE LYS 19 HE1 LYS 19 54.427 11.996 -6.310 123 1HZ LYS 19 HZ1 LYS 19 53.397 12.636 -8.384 124 2HZ LYS 19 HZ2 LYS 19 54.101 14.181 -8.300 125 3HZ LYS 19 HZ3 LYS 19 52.925 13.717 -7.164 126 H SER 20 HN SER 20 56.396 9.095 -3.821 127 HA SER 20 HA SER 20 59.322 9.550 -4.212 128 1HB SER 20 HB2 SER 20 59.536 7.399 -3.177 129 2HB SER 20 HB1 SER 20 58.270 8.234 -2.284 130 HG SER 20 HG SER 20 57.700 6.081 -2.897 131 H THR 21 HN THR 21 59.997 7.057 -5.266 132 HA THR 21 HA THR 21 58.574 7.004 -7.909 133 HB THR 21 HB THR 21 61.536 6.809 -7.260 134 HG1 THR 21 HG1 THR 21 61.593 8.830 -7.854 135 1HG2 THR 21 HG21 THR 21 59.964 5.972 -9.584 136 2HG2 THR 21 HG22 THR 21 61.639 5.607 -9.172 137 3HG2 THR 21 HG23 THR 21 61.244 7.113 -10.000 138 H LEU 22 HN LEU 22 57.384 5.185 -6.761 139 HA LEU 22 HA LEU 22 58.979 2.717 -6.328 140 1HB LEU 22 HB2 LEU 22 56.837 3.895 -5.070 141 2HB LEU 22 HB1 LEU 22 56.042 2.670 -6.062 142 HG LEU 22 HG LEU 22 57.657 0.973 -5.150 143 1HD1 LEU 22 HD1 LEU 22 59.477 2.422 -4.486 144 2HD1 LEU 22 HD1 LEU 22 58.842 1.654 -3.030 145 3HD1 LEU 22 HD1 LEU 22 58.421 3.326 -3.399 146 1HD2 LEU 22 HD2 LEU 22 55.342 1.458 -4.189 147 2HD2 LEU 22 HD2 LEU 22 56.154 2.415 -2.950 148 3HD2 LEU 22 HD2 LEU 22 56.475 0.685 -3.082 149 H THR 23 HN THR 23 58.085 0.664 -7.306 150 HA THR 23 HA THR 23 56.369 0.816 -9.660 151 HB THR 23 HB THR 23 59.384 0.589 -9.903 152 HG1 THR 23 HG1 THR 23 59.210 2.493 -10.814 153 1HG2 THR 23 HG21 THR 23 57.419 -0.777 -11.419 154 2HG2 THR 23 HG22 THR 23 59.141 -0.631 -11.775 155 3HG2 THR 23 HG23 THR 23 58.001 0.547 -12.426 156 H ASN 24 HN ASN 24 55.435 -1.189 -9.810 157 HA ASN 24 HA ASN 24 55.088 -3.502 -9.484 158 1HB ASN 24 HB2 ASN 24 58.013 -3.127 -10.040 159 2HB ASN 24 HB1 ASN 24 57.429 -4.735 -9.613 160 1HD2 ASN 24 HD2 ASN 24 57.849 -2.614 -12.234 161 2HD2 ASN 24 HD2 ASN 24 56.809 -3.379 -13.336 162 H CYS 25 HN CYS 25 55.582 -1.691 -7.132 163 HA CYS 25 HA CYS 25 56.873 -3.554 -5.190 164 1HB CYS 25 HB2 CYS 25 56.675 -0.713 -5.626 165 2HB CYS 25 HB1 CYS 25 56.042 -1.084 -4.035 166 H TYR 26 HN TYR 26 55.695 -4.120 -3.209 167 HA TYR 26 HA TYR 26 52.710 -3.867 -3.433 168 1HB TYR 26 HB2 TYR 26 54.206 -5.995 -1.891 169 2HB TYR 26 HB1 TYR 26 52.558 -6.052 -2.507 170 HD1 TYR 26 HD1 TYR 26 53.351 -4.854 -5.295 171 HD2 TYR 26 HD2 TYR 26 54.871 -8.095 -2.920 172 HE1 TYR 26 HE1 TYR 26 54.150 -5.989 -7.349 173 HE2 TYR 26 HE2 TYR 26 55.671 -9.228 -4.976 174 HH TYR 26 HH TYR 26 55.856 -7.658 -7.982 175 H VAL 27 HN VAL 27 55.508 -3.990 -1.353 176 HA VAL 27 HA VAL 27 55.964 -3.121 0.776 177 HB VAL 27 HB VAL 27 53.777 -1.202 0.011 178 1HG1 VAL 27 HG11 VAL 27 55.909 0.197 1.037 179 2HG1 VAL 27 HG12 VAL 27 55.980 -1.304 1.964 180 3HG1 VAL 27 HG13 VAL 27 54.511 -0.327 1.977 181 1HG2 VAL 27 HG21 VAL 27 54.985 -1.099 -1.959 182 2HG2 VAL 27 HG22 VAL 27 56.451 -1.730 -1.206 183 3HG2 VAL 27 HG23 VAL 27 56.001 -0.043 -0.976 184 H ASP 28 HN ASP 28 55.392 -3.539 2.825 185 HA ASP 28 HA ASP 28 52.518 -3.773 3.598 186 1HB ASP 28 HB2 ASP 28 53.839 -5.984 2.878 187 2HB ASP 28 HB1 ASP 28 54.479 -5.852 4.517 188 H LYS 29 HN LYS 29 52.372 -2.390 5.357 189 HA LYS 29 HA LYS 29 53.009 -1.202 7.313 190 1HB LYS 29 HB2 LYS 29 54.494 -3.834 7.551 191 2HB LYS 29 HB1 LYS 29 54.466 -2.639 8.844 192 1HG LYS 29 HG2 LYS 29 52.232 -2.985 9.308 193 2HG LYS 29 HG1 LYS 29 51.854 -3.467 7.654 194 1HD LYS 29 HD2 LYS 29 53.257 -5.551 8.074 195 2HD LYS 29 HD1 LYS 29 53.263 -5.097 9.778 196 1HE LYS 29 HE2 LYS 29 50.753 -5.534 8.121 197 2HE LYS 29 HE1 LYS 29 51.427 -6.698 9.280 198 1HZ LYS 29 HZ1 LYS 29 50.186 -4.094 9.778 199 2HZ LYS 29 HZ2 LYS 29 51.466 -4.564 10.790 200 3HZ LYS 29 HZ3 LYS 29 50.075 -5.530 10.672 201 H SER 30 HN SER 30 54.248 0.068 5.431 202 HA SER 30 HA SER 30 57.025 0.431 6.402 203 1HB SER 30 HB2 SER 30 56.271 -0.342 3.568 204 2HB SER 30 HB1 SER 30 57.882 0.165 4.070 205 HG SER 30 HG SER 30 58.192 -1.773 4.804 206 H GLU 31 HN GLU 31 57.889 2.469 5.806 207 HA GLU 31 HA GLU 31 55.929 4.356 4.539 208 1HB GLU 31 HB2 GLU 31 57.811 4.580 6.890 209 2HB GLU 31 HB1 GLU 31 57.190 6.018 6.080 210 1HG GLU 31 HG2 GLU 31 55.009 5.629 6.757 211 2HG GLU 31 HG1 GLU 31 55.249 3.884 6.872 212 H VAL 32 HN VAL 32 56.729 4.816 2.541 213 HA VAL 32 HA VAL 32 59.697 5.029 2.204 214 HB VAL 32 HB VAL 32 57.508 4.614 0.145 215 1HG1 VAL 32 HG11 VAL 32 59.470 3.628 -1.122 216 2HG1 VAL 32 HG12 VAL 32 60.519 4.301 0.124 217 3HG1 VAL 32 HG13 VAL 32 59.544 5.373 -0.883 218 1HG2 VAL 32 HG21 VAL 32 59.192 2.315 0.814 219 2HG2 VAL 32 HG22 VAL 32 57.438 2.412 0.673 220 3HG2 VAL 32 HG23 VAL 32 58.225 2.856 2.187 221 H TYR 33 HN TYR 33 60.519 6.841 0.988 222 HA TYR 33 HA TYR 33 58.594 9.038 0.380 223 1HB TYR 33 HB2 TYR 33 60.895 9.037 2.337 224 2HB TYR 33 HB1 TYR 33 60.284 10.537 1.640 225 HD1 TYR 33 HD1 TYR 33 59.837 8.096 4.222 226 HD2 TYR 33 HD2 TYR 33 57.727 10.971 1.825 227 HE1 TYR 33 HE1 TYR 33 57.993 8.129 5.882 228 HE2 TYR 33 HE2 TYR 33 55.883 10.999 3.483 229 HH TYR 33 HH TYR 33 55.345 8.738 5.683 230 H GLY 34 HN GLY 34 60.272 7.290 -1.352 231 1HA GLY 34 HA2 GLY 34 61.091 8.702 -3.429 232 2HA GLY 34 HA1 GLY 34 62.352 9.199 -2.302 233 H THR 35 HN THR 35 60.879 5.971 -2.656 234 HA THR 35 HA THR 35 63.620 4.851 -2.972 235 HB THR 35 HB THR 35 60.885 3.801 -2.252 236 HG1 THR 35 HG1 THR 35 62.643 4.807 -0.821 237 1HG2 THR 35 HG21 THR 35 61.837 1.551 -2.128 238 2HG2 THR 35 HG22 THR 35 63.384 2.155 -2.718 239 3HG2 THR 35 HG23 THR 35 61.971 2.170 -3.773 240 H THR 36 HN THR 36 64.317 4.271 -4.993 241 HA THR 36 HA THR 36 62.482 4.309 -7.277 242 HB THR 36 HB THR 36 65.410 3.551 -6.983 243 HG1 THR 36 HG1 THR 36 65.634 5.611 -6.761 244 1HG2 THR 36 HG21 THR 36 65.065 4.529 -9.517 245 2HG2 THR 36 HG22 THR 36 63.548 3.667 -9.269 246 3HG2 THR 36 HG23 THR 36 65.083 2.814 -9.111 247 H CYS 37 HN CYS 37 61.431 2.405 -5.699 248 HA CYS 37 HA CYS 37 62.309 -0.223 -5.618 249 1HB CYS 37 HB2 CYS 37 60.230 0.550 -4.644 250 2HB CYS 37 HB1 CYS 37 59.582 0.956 -6.231 251 H THR 38 HN THR 38 62.409 -1.959 -7.090 252 HA THR 38 HA THR 38 61.782 -1.320 -9.956 253 HB THR 38 HB THR 38 64.248 -1.468 -9.054 254 HG1 THR 38 HG1 THR 38 64.753 -1.877 -11.075 255 1HG2 THR 38 HG21 THR 38 65.174 -3.731 -9.066 256 2HG2 THR 38 HG22 THR 38 63.583 -4.406 -9.416 257 3HG2 THR 38 HG23 THR 38 63.886 -3.629 -7.862 258 H GLY 39 HN GLY 39 60.609 -3.006 -7.485 259 1HA GLY 39 HA2 GLY 39 58.807 -4.642 -8.295 260 2HA GLY 39 HA1 GLY 39 60.151 -5.510 -9.041 261 H SER 40 HN SER 40 60.079 -3.904 -5.876 262 HA SER 40 HA SER 40 60.563 -6.586 -4.620 263 1HB SER 40 HB2 SER 40 61.654 -3.851 -3.888 264 2HB SER 40 HB1 SER 40 62.040 -5.360 -3.067 265 HG SER 40 HG SER 40 62.785 -6.101 -5.175 266 H ARG 41 HN ARG 41 60.358 -5.880 -1.974 267 HA ARG 41 HA ARG 41 57.927 -4.274 -1.536 268 1HB ARG 41 HB2 ARG 41 56.877 -6.276 -2.250 269 2HB ARG 41 HB1 ARG 41 58.055 -7.287 -1.415 270 1HG ARG 41 HG2 ARG 41 57.192 -6.582 0.754 271 2HG ARG 41 HG1 ARG 41 56.077 -5.457 -0.025 272 1HD ARG 41 HD2 ARG 41 54.553 -7.113 -0.243 273 2HD ARG 41 HD1 ARG 41 55.717 -8.075 -1.178 274 HE ARG 41 HE ARG 41 56.435 -8.143 1.598 275 1HH1 ARG 41 HH1 ARG 41 56.363 -10.577 -0.118 276 2HH1 ARG 41 HH1 ARG 41 55.022 -11.455 0.540 277 1HH2 ARG 41 HH2 ARG 41 53.715 -8.734 2.233 278 2HH2 ARG 41 HH2 ARG 41 53.526 -10.414 1.860 279 H PHE 42 HN PHE 42 57.387 -4.238 0.840 280 HA PHE 42 HA PHE 42 59.801 -4.790 2.527 281 1HB PHE 42 HB2 PHE 42 57.776 -2.569 2.894 282 2HB PHE 42 HB1 PHE 42 59.380 -2.697 3.617 283 HD1 PHE 42 HD1 PHE 42 61.007 -3.562 1.302 284 HD2 PHE 42 HD2 PHE 42 57.888 -0.619 1.555 285 HE1 PHE 42 HE1 PHE 42 61.978 -2.367 -0.642 286 HE2 PHE 42 HE2 PHE 42 58.859 0.577 -0.389 287 HZ PHE 42 HZ PHE 42 60.903 -0.298 -1.488 288 H ASP 43 HN ASP 43 58.801 -4.437 5.021 289 HA ASP 43 HA ASP 43 56.156 -5.620 5.387 290 1HB ASP 43 HB2 ASP 43 57.895 -7.418 4.559 291 2HB ASP 43 HB1 ASP 43 58.464 -7.358 6.228 292 H GLY 44 HN GLY 44 57.222 -3.305 6.483 293 1HA GLY 44 HA2 GLY 44 56.717 -2.736 8.877 294 2HA GLY 44 HA1 GLY 44 57.719 -4.125 9.314 295 H VAL 45 HN VAL 45 58.205 -1.430 7.000 296 HA VAL 45 HA VAL 45 60.762 -0.858 8.460 297 HB VAL 45 HB VAL 45 61.909 -0.833 6.416 298 1HG1 VAL 45 HG11 VAL 45 61.205 -3.117 6.848 299 2HG1 VAL 45 HG12 VAL 45 61.133 -2.821 5.110 300 3HG1 VAL 45 HG13 VAL 45 59.652 -2.824 6.065 301 1HG2 VAL 45 HG21 VAL 45 60.845 0.614 4.981 302 2HG2 VAL 45 HG22 VAL 45 59.249 -0.054 5.322 303 3HG2 VAL 45 HG23 VAL 45 60.347 -0.906 4.235 304 H THR 46 HN THR 46 61.576 1.314 7.046 305 HA THR 46 HA THR 46 59.441 3.301 6.736 306 HB THR 46 HB THR 46 61.467 3.539 8.979 307 HG1 THR 46 HG1 THR 46 59.696 3.070 10.326 308 1HG2 THR 46 HG21 THR 46 59.689 5.379 7.693 309 2HG2 THR 46 HG22 THR 46 60.774 5.676 9.051 310 3HG2 THR 46 HG23 THR 46 59.126 5.119 9.343 311 H ILE 47 HN ILE 47 61.150 2.581 4.799 312 HA ILE 47 HA ILE 47 63.696 3.984 4.826 313 HB ILE 47 HB ILE 47 63.272 1.925 3.571 314 1HG1 ILE 47 HG12 ILE 47 63.589 4.218 1.614 315 2HG1 ILE 47 HG11 ILE 47 64.882 3.661 2.675 316 1HG2 ILE 47 HG21 ILE 47 60.993 1.985 3.020 317 2HG2 ILE 47 HG22 ILE 47 61.773 2.255 1.460 318 3HG2 ILE 47 HG23 ILE 47 61.099 3.616 2.356 319 1HD1 ILE 47 HD1 ILE 47 63.488 1.577 1.068 320 2HD1 ILE 47 HD1 ILE 47 65.191 1.709 1.504 321 3HD1 ILE 47 HD1 ILE 47 64.541 2.684 0.188 322 H THR 48 HN THR 48 64.158 5.570 2.960 323 HA THR 48 HA THR 48 61.851 7.393 2.420 324 HB THR 48 HB THR 48 63.392 9.272 3.080 325 HG1 THR 48 HG1 THR 48 65.203 8.454 4.421 326 1HG2 THR 48 HG21 THR 48 62.917 7.145 5.184 327 2HG2 THR 48 HG22 THR 48 61.762 8.380 4.686 328 3HG2 THR 48 HG23 THR 48 63.248 8.847 5.512 329 H THR 49 HN THR 49 64.159 9.252 1.407 330 HA THR 49 HA THR 49 64.052 8.487 -1.363 331 HB THR 49 HB THR 49 65.880 10.306 0.237 332 HG1 THR 49 HG1 THR 49 63.796 11.031 -1.519 333 1HG2 THR 49 HG21 THR 49 67.029 9.809 -1.797 334 2HG2 THR 49 HG22 THR 49 66.256 11.377 -2.041 335 3HG2 THR 49 HG23 THR 49 65.543 9.923 -2.742 336 H SER 50 HN SER 50 64.804 6.165 -1.176 337 HA SER 50 HA SER 50 67.804 6.020 -1.124 338 1HB SER 50 HB2 SER 50 66.685 5.273 0.997 339 2HB SER 50 HB1 SER 50 65.825 4.052 0.065 340 HG SER 50 HG SER 50 67.739 3.228 1.005 341 H THR 51 HN THR 51 68.712 4.468 -2.591 342 HA THR 51 HA THR 51 66.814 3.487 -4.669 343 HB THR 51 HB THR 51 69.702 2.991 -4.964 344 HG1 THR 51 HG1 THR 51 68.755 5.658 -4.872 345 1HG2 THR 51 HG21 THR 51 69.256 4.172 -7.121 346 2HG2 THR 51 HG22 THR 51 67.606 4.473 -6.573 347 3HG2 THR 51 HG23 THR 51 68.159 2.821 -6.838 348 H SER 52 HN SER 52 66.203 1.384 -4.629 349 HA SER 52 HA SER 52 67.965 -0.637 -3.310 350 1HB SER 52 HB2 SER 52 65.782 0.454 -2.114 351 2HB SER 52 HB1 SER 52 65.017 -0.873 -2.982 352 HG SER 52 HG SER 52 66.075 -1.133 -0.727 353 H THR 53 HN THR 53 68.505 -1.818 -5.149 354 HA THR 53 HA THR 53 66.389 -2.456 -7.140 355 HB THR 53 HB THR 53 69.193 -3.465 -7.325 356 HG1 THR 53 HG1 THR 53 68.425 -0.750 -7.298 357 1HG2 THR 53 HG21 THR 53 67.217 -2.144 -9.195 358 2HG2 THR 53 HG22 THR 53 67.714 -3.834 -9.186 359 3HG2 THR 53 HG23 THR 53 68.858 -2.582 -9.667 360 H GLY 54 HN GLY 54 65.129 -4.134 -6.264 361 1HA GLY 54 HA2 GLY 54 64.633 -6.316 -5.546 362 2HA GLY 54 HA1 GLY 54 66.203 -6.783 -6.206 363 H SER 55 HN SER 55 64.503 -5.777 -3.314 364 HA SER 55 HA SER 55 66.586 -6.944 -1.620 365 1HB SER 55 HB2 SER 55 67.261 -4.850 -0.584 366 2HB SER 55 HB1 SER 55 67.460 -4.684 -2.326 367 HG SER 55 HG SER 55 65.616 -3.487 -2.416 368 H ARG 56 HN ARG 56 65.359 -7.901 -0.023 369 HA ARG 56 HA ARG 56 62.651 -6.931 0.561 370 1HB ARG 56 HB2 ARG 56 64.072 -9.343 0.701 371 2HB ARG 56 HB1 ARG 56 63.763 -8.913 2.385 372 1HG ARG 56 HG2 ARG 56 61.420 -8.380 0.780 373 2HG ARG 56 HG1 ARG 56 61.936 -10.054 0.564 374 1HD ARG 56 HD2 ARG 56 62.063 -10.249 3.086 375 2HD ARG 56 HD1 ARG 56 61.273 -8.662 3.176 376 HE ARG 56 HE ARG 56 59.544 -9.843 1.548 377 1HH1 ARG 56 HH1 ARG 56 61.003 -10.867 4.478 378 2HH1 ARG 56 HH1 ARG 56 59.922 -12.197 4.719 379 1HH2 ARG 56 HH2 ARG 56 58.230 -11.709 1.730 380 2HH2 ARG 56 HH2 ARG 56 58.343 -12.669 3.167 381 H ILE 57 HN ILE 57 62.465 -5.149 1.848 382 HA ILE 57 HA ILE 57 64.539 -4.513 3.843 383 HB ILE 57 HB ILE 57 61.945 -3.069 3.263 384 1HG1 ILE 57 HG12 ILE 57 63.058 -3.540 1.114 385 2HG1 ILE 57 HG11 ILE 57 63.213 -1.830 1.518 386 1HG2 ILE 57 HG21 ILE 57 64.665 -2.350 4.353 387 2HG2 ILE 57 HG22 ILE 57 63.093 -2.136 5.121 388 3HG2 ILE 57 HG23 ILE 57 63.552 -1.118 3.755 389 1HD1 ILE 57 HD1 ILE 57 65.302 -3.650 0.957 390 2HD1 ILE 57 HD1 ILE 57 65.399 -3.311 2.685 391 3HD1 ILE 57 HD1 ILE 57 65.459 -1.986 1.522 392 H SER 58 HN SER 58 62.244 -6.728 4.005 393 HA SER 58 HA SER 58 60.404 -6.297 6.021 394 1HB SER 58 HB2 SER 58 62.066 -8.508 5.033 395 2HB SER 58 HB1 SER 58 61.546 -8.726 6.701 396 HG SER 58 HG SER 58 59.737 -9.325 5.819 397 H GLY 59 HN GLY 59 60.467 -5.998 8.269 398 1HA GLY 59 HA2 GLY 59 62.663 -6.641 9.954 399 2HA GLY 59 HA1 GLY 59 62.831 -4.951 9.473 400 HA PRO 60 HA PRO 60 59.429 -5.598 12.724 401 1HB PRO 60 HB2 PRO 60 60.818 -5.787 15.075 402 2HB PRO 60 HB1 PRO 60 60.331 -7.208 14.131 403 1HG PRO 60 HG2 PRO 60 62.983 -5.906 14.352 404 2HG PRO 60 HG1 PRO 60 62.573 -7.615 14.138 405 1HD PRO 60 HD2 PRO 60 63.450 -5.928 12.129 406 2HD PRO 60 HD1 PRO 60 62.564 -7.447 11.873 407 H GLY 61 HN GLY 61 60.248 -3.351 11.487 408 1HA GLY 61 HA2 GLY 61 59.740 -1.061 12.382 409 2HA GLY 61 HA1 GLY 61 60.859 -1.431 13.698 410 H CYS 62 HN CYS 62 61.690 -2.616 10.569 411 HA CYS 62 HA CYS 62 64.248 -1.678 10.328 412 1HB CYS 62 HB2 CYS 62 62.123 -2.582 8.599 413 2HB CYS 62 HB1 CYS 62 63.069 -1.344 7.774 414 H LYS 63 HN LYS 63 65.285 0.228 9.609 415 HA LYS 63 HA LYS 63 63.596 2.586 8.927 416 1HB LYS 63 HB2 LYS 63 63.860 2.534 11.375 417 2HB LYS 63 HB1 LYS 63 65.613 2.416 11.191 418 1HG LYS 63 HG2 LYS 63 65.674 4.603 10.094 419 2HG LYS 63 HG1 LYS 63 63.917 4.721 10.180 420 1HD LYS 63 HD2 LYS 63 64.084 4.548 12.675 421 2HD LYS 63 HD1 LYS 63 65.839 4.611 12.522 422 1HE LYS 63 HE2 LYS 63 65.825 6.862 12.193 423 2HE LYS 63 HE1 LYS 63 64.465 6.765 11.055 424 1HZ LYS 63 HZ1 LYS 63 64.260 6.489 14.008 425 2HZ LYS 63 HZ2 LYS 63 62.966 6.404 12.909 426 3HZ LYS 63 HZ3 LYS 63 63.808 7.865 13.124 427 H ILE 64 HN ILE 64 64.579 2.784 6.851 428 HA ILE 64 HA ILE 64 67.561 3.079 6.852 429 HB ILE 64 HB ILE 64 65.657 2.281 4.636 430 1HG1 ILE 64 HG12 ILE 64 67.620 0.307 5.416 431 2HG1 ILE 64 HG11 ILE 64 66.661 0.791 6.814 432 1HG2 ILE 64 HG21 ILE 64 68.005 3.476 4.222 433 2HG2 ILE 64 HG22 ILE 64 67.483 2.122 3.222 434 3HG2 ILE 64 HG23 ILE 64 68.617 1.855 4.545 435 1HD1 ILE 64 HD1 ILE 64 65.848 -1.084 5.031 436 2HD1 ILE 64 HD1 ILE 64 65.145 0.362 4.309 437 3HD1 ILE 64 HD1 ILE 64 64.733 -0.086 5.962 438 H SER 65 HN SER 65 68.450 4.843 5.681 439 HA SER 65 HA SER 65 66.510 6.833 4.577 440 1HB SER 65 HB2 SER 65 68.730 7.767 6.353 441 2HB SER 65 HB1 SER 65 67.149 8.490 6.067 442 HG SER 65 HG SER 65 66.524 7.469 7.783 443 H THR 66 HN THR 66 67.214 7.261 2.552 444 HA THR 66 HA THR 66 68.643 7.679 0.737 445 HB THR 66 HB THR 66 70.687 8.582 2.730 446 HG1 THR 66 HG1 THR 66 68.069 9.552 2.355 447 1HG2 THR 66 HG21 THR 66 69.686 10.387 0.644 448 2HG2 THR 66 HG22 THR 66 70.337 8.879 0.002 449 3HG2 THR 66 HG23 THR 66 71.343 9.914 1.018 450 H CYS 67 HN CYS 67 68.913 5.319 0.436 451 HA CYS 67 HA CYS 67 71.772 4.531 0.756 452 1HB CYS 67 HB2 CYS 67 69.927 3.539 2.434 453 2HB CYS 67 HB1 CYS 67 69.628 2.458 1.074 454 H ILE 68 HN ILE 68 72.538 3.873 -1.221 455 HA ILE 68 HA ILE 68 70.690 3.701 -3.495 456 HB ILE 68 HB ILE 68 73.647 3.732 -2.983 457 1HG1 ILE 68 HG12 ILE 68 73.453 5.590 -4.682 458 2HG1 ILE 68 HG11 ILE 68 71.709 5.328 -4.689 459 1HG2 ILE 68 HG21 ILE 68 73.955 3.421 -5.466 460 2HG2 ILE 68 HG22 ILE 68 72.269 2.896 -5.533 461 3HG2 ILE 68 HG23 ILE 68 73.442 1.971 -4.596 462 1HD1 ILE 68 HD1 ILE 68 72.703 7.146 -3.094 463 2HD1 ILE 68 HD1 ILE 68 73.154 5.771 -2.089 464 3HD1 ILE 68 HD1 ILE 68 71.458 6.059 -2.477 465 H ILE 69 HN ILE 69 71.261 1.583 -1.220 466 HA ILE 69 HA ILE 69 72.121 -0.846 -1.571 467 HB ILE 69 HB ILE 69 69.147 -0.297 -1.352 468 1HG1 ILE 69 HG12 ILE 69 71.284 -0.391 0.811 469 2HG1 ILE 69 HG11 ILE 69 70.521 1.070 0.200 470 1HG2 ILE 69 HG21 ILE 69 70.522 -2.723 -1.439 471 2HG2 ILE 69 HG22 ILE 69 68.893 -2.469 -0.812 472 3HG2 ILE 69 HG23 ILE 69 70.275 -2.427 0.283 473 1HD1 ILE 69 HD1 ILE 69 69.514 0.159 2.327 474 2HD1 ILE 69 HD1 ILE 69 68.938 -1.206 1.369 475 3HD1 ILE 69 HD1 ILE 69 68.382 0.430 1.004 476 H THR 70 HN THR 70 72.130 -2.552 -3.037 477 HA THR 70 HA THR 70 70.185 -2.520 -5.289 478 HB THR 70 HB THR 70 73.201 -2.366 -5.520 479 HG1 THR 70 HG1 THR 70 72.837 -0.369 -6.082 480 1HG2 THR 70 HG21 THR 70 72.962 -2.677 -7.869 481 2HG2 THR 70 HG22 THR 70 71.205 -2.553 -7.777 482 3HG2 THR 70 HG23 THR 70 72.025 -3.970 -7.117 483 H GLY 71 HN GLY 71 69.359 -4.571 -4.749 484 1HA GLY 71 HA2 GLY 71 69.425 -6.926 -5.193 485 2HA GLY 71 HA1 GLY 71 71.187 -6.835 -5.270 486 H GLY 72 HN GLY 72 69.144 -5.545 -2.690 487 1HA GLY 72 HA2 GLY 72 68.960 -6.195 -0.431 488 2HA GLY 72 HA1 GLY 72 69.634 -7.762 -0.883 489 H VAL 73 HN VAL 73 71.510 -5.154 -1.976 490 HA VAL 73 HA VAL 73 73.428 -5.517 0.307 491 HB VAL 73 HB VAL 73 75.169 -5.360 -1.369 492 1HG1 VAL 73 HG11 VAL 73 74.446 -7.581 -1.405 493 2HG1 VAL 73 HG12 VAL 73 74.252 -7.124 -3.097 494 3HG1 VAL 73 HG13 VAL 73 72.851 -7.160 -2.029 495 1HG2 VAL 73 HG21 VAL 73 74.572 -3.722 -2.888 496 2HG2 VAL 73 HG22 VAL 73 72.903 -4.283 -2.999 497 3HG2 VAL 73 HG23 VAL 73 74.186 -5.152 -3.846 498 HA PRO 74 HA PRO 74 72.943 -1.118 0.636 499 1HB PRO 74 HB2 PRO 74 74.918 -0.670 2.461 500 2HB PRO 74 HB1 PRO 74 73.350 -1.358 2.896 501 1HG PRO 74 HG2 PRO 74 75.967 -2.705 2.540 502 2HG PRO 74 HG1 PRO 74 74.649 -3.075 3.659 503 1HD PRO 74 HD2 PRO 74 75.170 -4.463 1.328 504 2HD PRO 74 HD1 PRO 74 73.603 -4.435 2.166 505 H ALA 75 HN ALA 75 73.917 0.647 -0.369 506 HA ALA 75 HA ALA 75 76.414 0.115 -1.891 507 1HB ALA 75 HB1 ALA 75 75.590 2.504 -2.754 508 2HB ALA 75 HB2 ALA 75 74.083 1.999 -1.990 509 3HB ALA 75 HB3 ALA 75 74.784 1.027 -3.284 510 HA PRO 76 HA PRO 76 78.895 2.742 0.614 511 1HB PRO 76 HB2 PRO 76 80.328 4.191 -1.212 512 2HB PRO 76 HB1 PRO 76 80.623 2.468 -0.903 513 1HG PRO 76 HG2 PRO 76 79.126 3.762 -3.124 514 2HG PRO 76 HG1 PRO 76 80.199 2.355 -3.155 515 1HD PRO 76 HD2 PRO 76 77.477 2.171 -3.184 516 2HD PRO 76 HD1 PRO 76 78.540 0.911 -2.518 517 H SER 77 HN SER 77 76.715 3.875 1.123 518 HA SER 77 HA SER 77 76.702 6.678 0.055 519 1HB SER 77 HB2 SER 77 74.760 4.986 -0.284 520 2HB SER 77 HB1 SER 77 74.434 5.236 1.426 521 HG SER 77 HG SER 77 74.632 7.604 0.668 522 H ALA 78 HN ALA 78 77.822 7.886 1.573 523 HA ALA 78 HA ALA 78 78.068 7.317 4.353 524 1HB ALA 78 HB1 ALA 78 79.594 8.910 3.804 525 2HB ALA 78 HB2 ALA 78 78.293 10.074 4.052 526 3HB ALA 78 HB3 ALA 78 78.631 9.461 2.434 527 H ALA 79 HN ALA 79 75.394 8.492 2.557 528 HA ALA 79 HA ALA 79 74.124 9.824 4.892 529 1HB ALA 79 HB1 ALA 79 74.147 10.716 2.506 530 2HB ALA 79 HB2 ALA 79 72.548 10.591 3.235 531 3HB ALA 79 HB3 ALA 79 73.086 9.374 2.080 532 H CYS 80 HN CYS 80 74.233 6.764 3.334 533 HA CYS 80 HA CYS 80 71.538 5.864 3.914 534 1HB CYS 80 HB2 CYS 80 72.794 4.786 2.203 535 2HB CYS 80 HB1 CYS 80 74.180 4.557 3.256 536 H LYS 81 HN LYS 81 71.026 4.174 5.531 537 HA LYS 81 HA LYS 81 72.773 4.378 7.959 538 1HB LYS 81 HB2 LYS 81 70.850 4.718 9.265 539 2HB LYS 81 HB1 LYS 81 70.473 5.623 7.801 540 1HG LYS 81 HG2 LYS 81 68.521 4.370 8.114 541 2HG LYS 81 HG1 LYS 81 69.427 3.362 6.985 542 1HD LYS 81 HD2 LYS 81 70.385 2.509 9.428 543 2HD LYS 81 HD1 LYS 81 68.694 2.841 9.785 544 1HE LYS 81 HE2 LYS 81 68.461 1.518 7.382 545 2HE LYS 81 HE1 LYS 81 69.864 0.704 8.098 546 1HZ LYS 81 HZ1 LYS 81 67.163 0.476 8.846 547 2HZ LYS 81 HZ2 LYS 81 68.017 1.161 10.144 548 3HZ LYS 81 HZ3 LYS 81 68.507 -0.328 9.493 549 H ILE 82 HN ILE 82 72.776 2.523 9.309 550 HA ILE 82 HA ILE 82 71.584 0.019 8.216 551 HB ILE 82 HB ILE 82 74.461 0.279 9.136 552 1HG1 ILE 82 HG12 ILE 82 74.038 1.756 7.163 553 2HG1 ILE 82 HG11 ILE 82 75.108 0.408 6.777 554 1HG2 ILE 82 HG21 ILE 82 74.602 -1.806 7.636 555 2HG2 ILE 82 HG22 ILE 82 72.838 -1.802 7.662 556 3HG2 ILE 82 HG23 ILE 82 73.741 -1.989 9.164 557 1HD1 ILE 82 HD1 ILE 82 73.554 -0.623 5.435 558 2HD1 ILE 82 HD1 ILE 82 72.970 1.032 5.254 559 3HD1 ILE 82 HD1 ILE 82 72.192 -0.061 6.401 560 H SER 83 HN SER 83 70.225 0.802 10.197 561 HA SER 83 HA SER 83 71.404 -0.371 12.685 562 1HB SER 83 HB2 SER 83 70.007 2.267 12.215 563 2HB SER 83 HB1 SER 83 70.172 1.568 13.825 564 HG SER 83 HG SER 83 72.317 1.829 13.738 565 H GLY 84 HN GLY 84 70.083 -2.188 12.896 566 1HA GLY 84 HA2 GLY 84 68.118 -3.291 13.594 567 2HA GLY 84 HA1 GLY 84 67.295 -1.733 13.601 568 H CYS 85 HN CYS 85 68.982 -2.954 10.759 569 HA CYS 85 HA CYS 85 66.425 -3.840 9.564 570 1HB CYS 85 HB2 CYS 85 66.851 -1.277 9.367 571 2HB CYS 85 HB1 CYS 85 68.074 -1.725 8.182 572 H THR 86 HN THR 86 66.973 -4.411 7.111 573 HA THR 86 HA THR 86 69.663 -5.175 6.430 574 HB THR 86 HB THR 86 69.394 -6.699 8.298 575 HG1 THR 86 HG1 THR 86 69.315 -8.731 7.073 576 1HG2 THR 86 HG21 THR 86 67.081 -8.142 7.158 577 2HG2 THR 86 HG22 THR 86 66.718 -6.537 7.791 578 3HG2 THR 86 HG23 THR 86 67.448 -7.754 8.837 579 H PHE 87 HN PHE 87 69.663 -6.484 4.418 580 HA PHE 87 HA PHE 87 66.999 -6.404 3.033 581 1HB PHE 87 HB2 PHE 87 69.530 -6.270 1.464 582 2HB PHE 87 HB1 PHE 87 68.003 -5.436 1.197 583 HD1 PHE 87 HD1 PHE 87 67.589 -4.086 3.830 584 HD2 PHE 87 HD2 PHE 87 71.146 -4.595 1.466 585 HE1 PHE 87 HE1 PHE 87 68.566 -2.031 4.854 586 HE2 PHE 87 HE2 PHE 87 72.108 -2.562 2.482 587 HZ PHE 87 HZ PHE 87 70.828 -1.278 4.172 588 H SER 88 HN SER 88 66.997 -8.001 1.117 589 HA SER 88 HA SER 88 68.819 -10.310 1.368 590 1HB SER 88 HB2 SER 88 66.584 -10.205 2.965 591 2HB SER 88 HB1 SER 88 65.969 -11.068 1.558 592 HG SER 88 HG SER 88 66.955 -12.427 3.173 593 H ALA 89 HN ALA 89 67.781 -8.262 -0.651 594 HA ALA 89 HA ALA 89 67.053 -8.229 -2.899 595 1HB ALA 89 HB1 ALA 89 68.555 -10.814 -2.481 596 2HB ALA 89 HB2 ALA 89 69.114 -9.336 -3.261 597 3HB ALA 89 HB3 ALA 89 67.944 -10.374 -4.075 598 H ASN 90 HN ASN 90 64.737 -8.365 -2.114 599 HA ASN 90 HA ASN 90 63.414 -10.958 -2.039 600 1HB ASN 90 HB2 ASN 90 61.682 -9.697 -1.219 601 2HB ASN 90 HB1 ASN 90 62.923 -8.463 -1.064 602 1HD2 ASN 90 HD2 ASN 90 59.848 -8.598 -1.923 603 2HD2 ASN 90 HD2 ASN 90 59.803 -7.530 -3.240 Start of MODEL 17 1 1H ASP 1 HT1 ASP 1 48.379 12.030 1.721 2 2H ASP 1 HT2 ASP 1 48.772 11.710 3.342 3 3H ASP 1 HT3 ASP 1 47.385 11.016 2.647 4 HA ASP 1 HA ASP 1 50.120 10.448 1.633 5 1HB ASP 1 HB2 ASP 1 48.516 9.362 3.935 6 2HB ASP 1 HB1 ASP 1 49.613 8.293 3.062 7 H GLY 2 HN GLY 2 50.069 8.614 0.190 8 1HA GLY 2 HA2 GLY 2 48.930 6.811 -0.954 9 2HA GLY 2 HA1 GLY 2 47.389 7.533 -0.501 10 H SER 3 HN SER 3 50.305 8.433 -2.389 11 HA SER 3 HA SER 3 48.456 9.402 -4.536 12 1HB SER 3 HB2 SER 3 50.791 11.012 -4.510 13 2HB SER 3 HB1 SER 3 49.150 11.502 -4.103 14 HG SER 3 HG SER 3 51.166 10.469 -2.397 15 H CYS 4 HN CYS 4 50.201 6.938 -4.103 16 HA CYS 4 HA CYS 4 51.754 7.174 -6.655 17 1HB CYS 4 HB2 CYS 4 53.600 6.029 -5.594 18 2HB CYS 4 HB1 CYS 4 53.133 7.353 -4.528 19 H THR 5 HN THR 5 51.815 5.196 -7.872 20 HA THR 5 HA THR 5 50.018 3.021 -6.844 21 HB THR 5 HB THR 5 50.304 4.105 -9.666 22 HG1 THR 5 HG1 THR 5 48.403 4.479 -7.612 23 1HG2 THR 5 HG21 THR 5 49.532 1.997 -10.100 24 2HG2 THR 5 HG22 THR 5 47.990 2.703 -9.630 25 3HG2 THR 5 HG23 THR 5 48.921 1.768 -8.464 26 H ASN 6 HN ASN 6 53.138 3.713 -7.585 27 HA ASN 6 HA ASN 6 54.901 2.515 -8.666 28 1HB ASN 6 HB2 ASN 6 55.558 1.018 -7.040 29 2HB ASN 6 HB1 ASN 6 54.277 1.839 -6.172 30 1HD2 ASN 6 HD2 ASN 6 52.236 0.241 -7.967 31 2HD2 ASN 6 HD2 ASN 6 52.219 -1.280 -7.246 32 H THR 7 HN THR 7 52.688 2.354 -10.419 33 HA THR 7 HA THR 7 52.228 1.147 -12.406 34 HB THR 7 HB THR 7 53.795 -1.190 -11.397 35 HG1 THR 7 HG1 THR 7 54.774 1.408 -11.914 36 1HG2 THR 7 HG21 THR 7 53.146 -1.446 -13.630 37 2HG2 THR 7 HG22 THR 7 54.758 -0.748 -13.798 38 3HG2 THR 7 HG23 THR 7 53.330 0.271 -13.982 39 H ASN 8 HN ASN 8 50.763 0.705 -9.677 40 HA ASN 8 HA ASN 8 48.691 -0.969 -10.569 41 1HB ASN 8 HB2 ASN 8 50.024 -2.859 -10.773 42 2HB ASN 8 HB1 ASN 8 51.087 -2.377 -9.452 43 1HD2 ASN 8 HD2 ASN 8 49.886 -2.338 -7.205 44 2HD2 ASN 8 HD2 ASN 8 48.804 -3.604 -6.912 45 H SER 9 HN SER 9 50.578 0.157 -7.853 46 HA SER 9 HA SER 9 49.939 0.881 -5.711 47 1HB SER 9 HB2 SER 9 48.205 2.228 -6.351 48 2HB SER 9 HB1 SER 9 47.535 1.006 -7.426 49 HG SER 9 HG SER 9 47.069 1.491 -4.727 50 H GLN 10 HN GLN 10 50.696 -1.068 -4.706 51 HA GLN 10 HA GLN 10 48.453 -2.907 -3.969 52 1HB GLN 10 HB2 GLN 10 50.538 -3.473 -5.645 53 2HB GLN 10 HB1 GLN 10 51.169 -4.042 -4.096 54 1HG GLN 10 HG2 GLN 10 49.566 -5.654 -3.873 55 2HG GLN 10 HG1 GLN 10 48.344 -4.677 -4.687 56 1HE2 GLN 10 HE21 GLN 10 51.341 -4.909 -6.422 57 2HE2 GLN 10 HE22 GLN 10 50.829 -6.052 -7.563 58 H LEU 11 HN LEU 11 49.961 -0.547 -2.656 59 HA LEU 11 HA LEU 11 51.603 -1.218 -0.522 60 1HB LEU 11 HB2 LEU 11 49.214 0.624 -0.802 61 2HB LEU 11 HB1 LEU 11 50.117 0.552 0.708 62 HG LEU 11 HG LEU 11 51.108 2.334 -0.490 63 1HD1 LEU 11 HD1 LEU 11 52.595 0.190 0.216 64 2HD1 LEU 11 HD1 LEU 11 53.290 1.669 -0.448 65 3HD1 LEU 11 HD1 LEU 11 52.995 0.283 -1.499 66 1HD2 LEU 11 HD2 LEU 11 49.988 1.326 -2.700 67 2HD2 LEU 11 HD2 LEU 11 51.629 0.730 -2.957 68 3HD2 LEU 11 HD2 LEU 11 51.335 2.460 -2.785 69 H SER 12 HN SER 12 51.375 -2.924 0.885 70 HA SER 12 HA SER 12 49.030 -4.463 1.306 71 1HB SER 12 HB2 SER 12 51.733 -4.282 2.223 72 2HB SER 12 HB1 SER 12 50.693 -4.512 3.625 73 HG SER 12 HG SER 12 50.232 -6.456 2.949 74 H ALA 13 HN ALA 13 47.558 -2.435 1.564 75 HA ALA 13 HA ALA 13 46.526 -0.748 2.965 76 1HB ALA 13 HB1 ALA 13 46.172 -3.553 4.016 77 2HB ALA 13 HB2 ALA 13 45.105 -2.650 2.940 78 3HB ALA 13 HB3 ALA 13 45.229 -2.201 4.642 79 H ASN 14 HN ASN 14 49.023 -0.200 3.731 80 HA ASN 14 HA ASN 14 48.836 0.401 6.543 81 1HB ASN 14 HB2 ASN 14 49.202 -2.148 6.395 82 2HB ASN 14 HB1 ASN 14 50.828 -1.762 5.836 83 1HD2 ASN 14 HD2 ASN 14 50.344 -3.126 8.328 84 2HD2 ASN 14 HD2 ASN 14 50.840 -2.103 9.588 85 H SER 15 HN SER 15 50.904 -0.143 3.729 86 HA SER 15 HA SER 15 53.235 1.252 4.547 87 1HB SER 15 HB2 SER 15 53.212 -0.066 2.550 88 2HB SER 15 HB1 SER 15 51.860 0.847 1.884 89 HG SER 15 HG SER 15 54.171 1.347 1.216 90 H LYS 16 HN LYS 16 53.826 3.366 3.134 91 HA LYS 16 HA LYS 16 51.625 5.383 3.352 92 1HB LYS 16 HB2 LYS 16 53.443 5.024 5.314 93 2HB LYS 16 HB1 LYS 16 54.375 6.097 4.270 94 1HG LYS 16 HG2 LYS 16 52.623 7.776 4.335 95 2HG LYS 16 HG1 LYS 16 51.558 6.687 5.226 96 1HD LYS 16 HD2 LYS 16 54.264 7.308 6.366 97 2HD LYS 16 HD1 LYS 16 52.984 8.512 6.512 98 1HE LYS 16 HE2 LYS 16 51.587 6.349 7.301 99 2HE LYS 16 HE1 LYS 16 53.209 5.837 7.809 100 1HZ LYS 16 HZ1 LYS 16 53.486 8.067 8.816 101 2HZ LYS 16 HZ2 LYS 16 52.262 7.151 9.555 102 3HZ LYS 16 HZ3 LYS 16 51.859 8.399 8.477 103 H CYS 17 HN CYS 17 51.859 7.105 1.838 104 HA CYS 17 HA CYS 17 54.282 7.139 0.103 105 1HB CYS 17 HB2 CYS 17 51.859 5.833 -0.515 106 2HB CYS 17 HB1 CYS 17 51.845 7.325 -1.456 107 H GLU 18 HN GLU 18 54.851 9.277 -0.210 108 HA GLU 18 HA GLU 18 52.682 11.343 0.044 109 1HB GLU 18 HB2 GLU 18 54.447 11.122 1.877 110 2HB GLU 18 HB1 GLU 18 55.625 11.669 0.684 111 1HG GLU 18 HG2 GLU 18 54.751 13.808 0.593 112 2HG GLU 18 HG1 GLU 18 53.127 13.276 1.023 113 H LYS 19 HN LYS 19 55.723 10.466 -1.587 114 HA LYS 19 HA LYS 19 54.897 11.654 -4.092 115 1HB LYS 19 HB2 LYS 19 55.322 13.670 -2.667 116 2HB LYS 19 HB1 LYS 19 56.983 13.124 -2.443 117 1HG LYS 19 HG2 LYS 19 57.614 13.785 -4.523 118 2HG LYS 19 HG1 LYS 19 56.106 13.237 -5.259 119 1HD LYS 19 HD2 LYS 19 56.349 15.733 -3.558 120 2HD LYS 19 HD1 LYS 19 56.413 15.736 -5.321 121 1HE LYS 19 HE2 LYS 19 54.091 14.473 -3.844 122 2HE LYS 19 HE1 LYS 19 54.106 16.199 -4.258 123 1HZ LYS 19 HZ1 LYS 19 53.134 14.748 -6.014 124 2HZ LYS 19 HZ2 LYS 19 54.661 14.028 -6.208 125 3HZ LYS 19 HZ3 LYS 19 54.447 15.680 -6.543 126 H SER 20 HN SER 20 56.114 9.185 -3.043 127 HA SER 20 HA SER 20 58.930 9.188 -3.888 128 1HB SER 20 HB2 SER 20 58.945 7.127 -2.834 129 2HB SER 20 HB1 SER 20 57.530 7.830 -2.053 130 HG SER 20 HG SER 20 56.282 6.822 -3.749 131 H THR 21 HN THR 21 59.225 6.828 -5.232 132 HA THR 21 HA THR 21 57.418 6.924 -7.608 133 HB THR 21 HB THR 21 59.310 8.426 -8.048 134 HG1 THR 21 HG1 THR 21 58.572 6.557 -9.551 135 1HG2 THR 21 HG21 THR 21 61.615 7.152 -8.172 136 2HG2 THR 21 HG22 THR 21 60.860 6.092 -6.984 137 3HG2 THR 21 HG23 THR 21 61.052 7.811 -6.638 138 H LEU 22 HN LEU 22 56.960 4.839 -6.147 139 HA LEU 22 HA LEU 22 58.913 2.682 -6.364 140 1HB LEU 22 HB2 LEU 22 55.951 2.590 -5.717 141 2HB LEU 22 HB1 LEU 22 57.171 1.407 -5.252 142 HG LEU 22 HG LEU 22 56.686 4.162 -4.152 143 1HD1 LEU 22 HD1 LEU 22 57.240 2.828 -2.035 144 2HD1 LEU 22 HD1 LEU 22 57.219 1.392 -3.061 145 3HD1 LEU 22 HD1 LEU 22 55.760 2.369 -2.878 146 1HD2 LEU 22 HD2 LEU 22 59.085 4.081 -4.913 147 2HD2 LEU 22 HD2 LEU 22 59.313 2.659 -3.898 148 3HD2 LEU 22 HD2 LEU 22 58.914 4.211 -3.164 149 H THR 23 HN THR 23 57.955 0.505 -7.351 150 HA THR 23 HA THR 23 56.242 0.831 -9.706 151 HB THR 23 HB THR 23 59.248 0.453 -9.926 152 HG1 THR 23 HG1 THR 23 57.929 2.388 -11.369 153 1HG2 THR 23 HG21 THR 23 58.512 -0.896 -11.659 154 2HG2 THR 23 HG22 THR 23 58.528 0.673 -12.467 155 3HG2 THR 23 HG23 THR 23 57.010 0.005 -11.863 156 H ASN 24 HN ASN 24 55.162 -1.111 -9.731 157 HA ASN 24 HA ASN 24 54.744 -3.424 -9.493 158 1HB ASN 24 HB2 ASN 24 57.712 -3.347 -10.127 159 2HB ASN 24 HB1 ASN 24 56.746 -4.824 -10.150 160 1HD2 ASN 24 HD2 ASN 24 54.797 -4.774 -11.687 161 2HD2 ASN 24 HD2 ASN 24 54.941 -3.880 -13.122 162 H CYS 25 HN CYS 25 54.979 -2.077 -7.108 163 HA CYS 25 HA CYS 25 56.609 -3.882 -5.354 164 1HB CYS 25 HB2 CYS 25 56.902 -1.223 -5.696 165 2HB CYS 25 HB1 CYS 25 55.655 -1.193 -4.455 166 H TYR 26 HN TYR 26 55.646 -4.191 -3.169 167 HA TYR 26 HA TYR 26 52.674 -3.916 -3.032 168 1HB TYR 26 HB2 TYR 26 53.025 -6.139 -3.843 169 2HB TYR 26 HB1 TYR 26 54.407 -6.386 -2.773 170 HD1 TYR 26 HD1 TYR 26 50.794 -5.391 -2.483 171 HD2 TYR 26 HD2 TYR 26 54.041 -7.718 -0.909 172 HE1 TYR 26 HE1 TYR 26 49.286 -6.320 -0.750 173 HE2 TYR 26 HE2 TYR 26 52.534 -8.647 0.827 174 HH TYR 26 HH TYR 26 50.307 -8.923 1.370 175 H VAL 27 HN VAL 27 55.096 -2.651 -1.863 176 HA VAL 27 HA VAL 27 56.107 -2.943 0.541 177 HB VAL 27 HB VAL 27 54.188 -0.677 0.033 178 1HG1 VAL 27 HG11 VAL 27 56.468 -1.159 1.833 179 2HG1 VAL 27 HG12 VAL 27 55.088 -0.076 2.015 180 3HG1 VAL 27 HG13 VAL 27 56.465 0.410 1.027 181 1HG2 VAL 27 HG21 VAL 27 56.564 -1.537 -1.473 182 2HG2 VAL 27 HG22 VAL 27 56.630 0.146 -0.950 183 3HG2 VAL 27 HG23 VAL 27 55.279 -0.417 -1.942 184 H ASP 28 HN ASP 28 55.576 -3.174 2.722 185 HA ASP 28 HA ASP 28 52.718 -3.101 3.552 186 1HB ASP 28 HB2 ASP 28 53.358 -5.421 2.787 187 2HB ASP 28 HB1 ASP 28 54.570 -5.448 4.068 188 H LYS 29 HN LYS 29 52.494 -2.608 5.789 189 HA LYS 29 HA LYS 29 53.223 -1.390 7.715 190 1HB LYS 29 HB2 LYS 29 54.781 -3.982 7.569 191 2HB LYS 29 HB1 LYS 29 54.796 -2.951 9.000 192 1HG LYS 29 HG2 LYS 29 52.592 -3.397 9.518 193 2HG LYS 29 HG1 LYS 29 52.140 -3.665 7.832 194 1HD LYS 29 HD2 LYS 29 52.113 -5.798 9.025 195 2HD LYS 29 HD1 LYS 29 53.437 -5.791 7.861 196 1HE LYS 29 HE2 LYS 29 55.010 -5.127 9.685 197 2HE LYS 29 HE1 LYS 29 53.669 -5.263 10.842 198 1HZ LYS 29 HZ1 LYS 29 54.857 -7.352 10.718 199 2HZ LYS 29 HZ2 LYS 29 54.645 -7.409 9.033 200 3HZ LYS 29 HZ3 LYS 29 53.301 -7.538 10.065 201 H SER 30 HN SER 30 54.568 -0.399 5.381 202 HA SER 30 HA SER 30 57.238 0.246 6.575 203 1HB SER 30 HB2 SER 30 56.500 -0.459 3.721 204 2HB SER 30 HB1 SER 30 58.075 0.170 4.197 205 HG SER 30 HG SER 30 57.119 -2.333 4.360 206 H GLU 31 HN GLU 31 57.996 2.367 6.127 207 HA GLU 31 HA GLU 31 55.940 4.236 4.990 208 1HB GLU 31 HB2 GLU 31 57.671 4.221 7.413 209 2HB GLU 31 HB1 GLU 31 57.480 5.779 6.605 210 1HG GLU 31 HG2 GLU 31 55.093 5.693 6.809 211 2HG GLU 31 HG1 GLU 31 55.135 4.006 7.320 212 H VAL 32 HN VAL 32 56.766 4.416 2.880 213 HA VAL 32 HA VAL 32 59.668 4.970 2.520 214 HB VAL 32 HB VAL 32 57.443 4.506 0.514 215 1HG1 VAL 32 HG11 VAL 32 59.296 3.887 -0.973 216 2HG1 VAL 32 HG12 VAL 32 60.457 4.241 0.307 217 3HG1 VAL 32 HG13 VAL 32 59.493 5.541 -0.398 218 1HG2 VAL 32 HG21 VAL 32 57.650 2.251 0.811 219 2HG2 VAL 32 HG22 VAL 32 58.255 2.701 2.406 220 3HG2 VAL 32 HG23 VAL 32 59.389 2.353 1.099 221 H TYR 33 HN TYR 33 60.247 6.786 1.004 222 HA TYR 33 HA TYR 33 58.210 8.948 0.789 223 1HB TYR 33 HB2 TYR 33 60.755 8.964 2.398 224 2HB TYR 33 HB1 TYR 33 60.054 10.469 1.807 225 HD1 TYR 33 HD1 TYR 33 59.801 7.795 4.256 226 HD2 TYR 33 HD2 TYR 33 57.701 11.081 2.456 227 HE1 TYR 33 HE1 TYR 33 58.188 7.799 6.143 228 HE2 TYR 33 HE2 TYR 33 56.091 11.084 4.340 229 HH TYR 33 HH TYR 33 55.428 8.845 6.202 230 H GLY 34 HN GLY 34 61.085 7.409 -0.414 231 1HA GLY 34 HA2 GLY 34 60.991 9.030 -2.835 232 2HA GLY 34 HA1 GLY 34 62.426 9.343 -1.859 233 H THR 35 HN THR 35 60.977 6.174 -1.875 234 HA THR 35 HA THR 35 63.468 4.993 -2.872 235 HB THR 35 HB THR 35 60.763 3.915 -2.035 236 HG1 THR 35 HG1 THR 35 62.394 3.137 -0.337 237 1HG2 THR 35 HG21 THR 35 61.949 1.720 -1.920 238 2HG2 THR 35 HG22 THR 35 63.327 2.471 -2.724 239 3HG2 THR 35 HG23 THR 35 61.782 2.337 -3.566 240 H THR 36 HN THR 36 63.297 3.270 -4.626 241 HA THR 36 HA THR 36 61.341 4.041 -6.765 242 HB THR 36 HB THR 36 64.274 3.315 -7.086 243 HG1 THR 36 HG1 THR 36 64.079 5.328 -6.128 244 1HG2 THR 36 HG21 THR 36 62.069 3.466 -8.922 245 2HG2 THR 36 HG22 THR 36 63.756 3.078 -9.261 246 3HG2 THR 36 HG23 THR 36 63.212 4.756 -9.295 247 H CYS 37 HN CYS 37 60.696 1.941 -5.130 248 HA CYS 37 HA CYS 37 61.689 -0.613 -5.473 249 1HB CYS 37 HB2 CYS 37 59.608 0.345 -4.235 250 2HB CYS 37 HB1 CYS 37 58.741 -0.005 -5.728 251 H THR 38 HN THR 38 62.521 -1.235 -7.471 252 HA THR 38 HA THR 38 60.874 -0.857 -9.916 253 HB THR 38 HB THR 38 63.342 -0.298 -9.728 254 HG1 THR 38 HG1 THR 38 63.831 -1.431 -11.725 255 1HG2 THR 38 HG21 THR 38 63.602 -3.317 -9.670 256 2HG2 THR 38 HG22 THR 38 63.950 -2.241 -8.317 257 3HG2 THR 38 HG23 THR 38 64.932 -2.164 -9.780 258 H GLY 39 HN GLY 39 59.998 -2.784 -7.872 259 1HA GLY 39 HA2 GLY 39 58.804 -4.836 -8.721 260 2HA GLY 39 HA1 GLY 39 60.350 -5.321 -9.418 261 H SER 40 HN SER 40 60.289 -3.765 -6.310 262 HA SER 40 HA SER 40 60.978 -6.390 -5.019 263 1HB SER 40 HB2 SER 40 62.848 -5.289 -4.382 264 2HB SER 40 HB1 SER 40 62.279 -3.837 -5.198 265 HG SER 40 HG SER 40 61.456 -3.106 -3.351 266 H ARG 41 HN ARG 41 60.729 -5.637 -2.355 267 HA ARG 41 HA ARG 41 58.210 -4.215 -1.899 268 1HB ARG 41 HB2 ARG 41 57.006 -6.259 -1.125 269 2HB ARG 41 HB1 ARG 41 57.409 -6.327 -2.840 270 1HG ARG 41 HG2 ARG 41 58.643 -8.183 -2.530 271 2HG ARG 41 HG1 ARG 41 59.590 -7.389 -1.269 272 1HD ARG 41 HD2 ARG 41 57.904 -7.948 0.415 273 2HD ARG 41 HD1 ARG 41 56.853 -8.641 -0.834 274 HE ARG 41 HE ARG 41 59.341 -9.852 0.187 275 1HH1 ARG 41 HH2 ARG 41 56.883 -11.452 -0.157 276 2HH1 ARG 41 HH2 ARG 41 57.163 -12.281 -1.651 277 1HH2 ARG 41 HH1 ARG 41 59.728 -10.166 -2.645 278 2HH2 ARG 41 HH1 ARG 41 58.782 -11.556 -3.061 279 H PHE 42 HN PHE 42 57.600 -4.272 0.441 280 HA PHE 42 HA PHE 42 59.949 -4.871 2.227 281 1HB PHE 42 HB2 PHE 42 57.876 -2.680 2.550 282 2HB PHE 42 HB1 PHE 42 59.416 -2.834 3.393 283 HD1 PHE 42 HD1 PHE 42 61.103 -3.684 1.000 284 HD2 PHE 42 HD2 PHE 42 58.198 -0.560 1.506 285 HE1 PHE 42 HE1 PHE 42 62.212 -2.363 -0.782 286 HE2 PHE 42 HE2 PHE 42 59.307 0.758 -0.279 287 HZ PHE 42 HZ PHE 42 61.312 -0.143 -1.417 288 H ASP 43 HN ASP 43 58.946 -4.737 4.667 289 HA ASP 43 HA ASP 43 56.224 -5.761 4.953 290 1HB ASP 43 HB2 ASP 43 58.085 -7.593 4.140 291 2HB ASP 43 HB1 ASP 43 58.215 -7.743 5.894 292 H GLY 44 HN GLY 44 57.277 -3.582 6.206 293 1HA GLY 44 HA2 GLY 44 56.818 -3.153 8.638 294 2HA GLY 44 HA1 GLY 44 57.815 -4.567 8.979 295 H VAL 45 HN VAL 45 58.088 -1.433 7.218 296 HA VAL 45 HA VAL 45 60.753 -1.104 8.527 297 HB VAL 45 HB VAL 45 61.867 -0.889 6.453 298 1HG1 VAL 45 HG11 VAL 45 61.330 -2.908 5.219 299 2HG1 VAL 45 HG12 VAL 45 59.703 -2.932 5.900 300 3HG1 VAL 45 HG13 VAL 45 61.098 -3.225 6.939 301 1HG2 VAL 45 HG21 VAL 45 59.870 -1.103 4.453 302 2HG2 VAL 45 HG22 VAL 45 60.886 0.297 4.807 303 3HG2 VAL 45 HG23 VAL 45 59.312 0.132 5.581 304 H THR 46 HN THR 46 61.535 1.124 7.060 305 HA THR 46 HA THR 46 59.459 3.175 6.956 306 HB THR 46 HB THR 46 61.520 3.154 9.188 307 HG1 THR 46 HG1 THR 46 59.426 3.242 10.392 308 1HG2 THR 46 HG21 THR 46 60.670 5.369 7.966 309 2HG2 THR 46 HG22 THR 46 60.888 5.312 9.714 310 3HG2 THR 46 HG23 THR 46 59.279 5.121 9.019 311 H ILE 47 HN ILE 47 61.032 2.538 4.923 312 HA ILE 47 HA ILE 47 63.621 3.891 4.961 313 HB ILE 47 HB ILE 47 63.259 1.864 3.682 314 1HG1 ILE 47 HG12 ILE 47 63.364 4.156 1.700 315 2HG1 ILE 47 HG11 ILE 47 64.733 3.684 2.708 316 1HG2 ILE 47 HG21 ILE 47 60.939 3.426 2.578 317 2HG2 ILE 47 HG22 ILE 47 60.971 1.780 3.210 318 3HG2 ILE 47 HG23 ILE 47 61.662 2.127 1.625 319 1HD1 ILE 47 HD1 ILE 47 64.895 2.597 0.510 320 2HD1 ILE 47 HD1 ILE 47 63.289 1.900 0.725 321 3HD1 ILE 47 HD1 ILE 47 64.617 1.391 1.765 322 H THR 48 HN THR 48 64.123 5.574 3.316 323 HA THR 48 HA THR 48 61.804 7.363 2.690 324 HB THR 48 HB THR 48 63.434 9.236 3.297 325 HG1 THR 48 HG1 THR 48 65.242 8.648 4.443 326 1HG2 THR 48 HG21 THR 48 62.054 9.108 5.081 327 2HG2 THR 48 HG22 THR 48 63.379 8.254 5.870 328 3HG2 THR 48 HG23 THR 48 62.087 7.345 5.087 329 H THR 49 HN THR 49 63.963 9.246 1.561 330 HA THR 49 HA THR 49 63.936 8.357 -1.135 331 HB THR 49 HB THR 49 65.836 10.141 0.422 332 HG1 THR 49 HG1 THR 49 64.397 11.627 0.036 333 1HG2 THR 49 HG21 THR 49 66.642 10.967 -1.689 334 2HG2 THR 49 HG22 THR 49 65.467 9.996 -2.577 335 3HG2 THR 49 HG23 THR 49 66.792 9.210 -1.718 336 H SER 50 HN SER 50 64.797 6.356 -1.695 337 HA SER 50 HA SER 50 67.652 5.875 -1.169 338 1HB SER 50 HB2 SER 50 67.004 4.999 0.872 339 2HB SER 50 HB1 SER 50 65.392 4.586 0.295 340 HG SER 50 HG SER 50 67.752 3.146 0.219 341 H THR 51 HN THR 51 68.491 4.595 -2.796 342 HA THR 51 HA THR 51 66.578 3.474 -4.779 343 HB THR 51 HB THR 51 69.364 3.271 -5.470 344 HG1 THR 51 HG1 THR 51 69.379 5.786 -5.398 345 1HG2 THR 51 HG21 THR 51 68.688 4.481 -7.371 346 2HG2 THR 51 HG22 THR 51 67.428 5.338 -6.484 347 3HG2 THR 51 HG23 THR 51 67.222 3.631 -6.882 348 H SER 52 HN SER 52 66.173 1.291 -4.653 349 HA SER 52 HA SER 52 68.367 -0.505 -3.683 350 1HB SER 52 HB2 SER 52 67.131 -0.875 -1.828 351 2HB SER 52 HB1 SER 52 65.860 0.180 -2.436 352 HG SER 52 HG SER 52 65.004 -1.582 -3.553 353 H THR 53 HN THR 53 68.683 -2.195 -5.066 354 HA THR 53 HA THR 53 66.563 -2.765 -7.110 355 HB THR 53 HB THR 53 69.252 -3.911 -7.457 356 HG1 THR 53 HG1 THR 53 69.006 -1.102 -7.577 357 1HG2 THR 53 HG21 THR 53 68.227 -3.866 -9.481 358 2HG2 THR 53 HG22 THR 53 68.763 -2.187 -9.535 359 3HG2 THR 53 HG23 THR 53 67.128 -2.577 -9.000 360 H GLY 54 HN GLY 54 65.312 -4.382 -6.101 361 1HA GLY 54 HA2 GLY 54 64.808 -6.544 -5.332 362 2HA GLY 54 HA1 GLY 54 66.397 -7.036 -5.926 363 H SER 55 HN SER 55 64.582 -6.115 -3.123 364 HA SER 55 HA SER 55 66.627 -7.105 -1.321 365 1HB SER 55 HB2 SER 55 67.315 -4.955 -0.403 366 2HB SER 55 HB1 SER 55 67.562 -4.918 -2.148 367 HG SER 55 HG SER 55 65.612 -3.662 -0.567 368 H ARG 56 HN ARG 56 65.141 -8.096 0.048 369 HA ARG 56 HA ARG 56 62.564 -6.857 0.668 370 1HB ARG 56 HB2 ARG 56 62.454 -8.863 2.233 371 2HB ARG 56 HB1 ARG 56 62.728 -9.257 0.537 372 1HG ARG 56 HG2 ARG 56 64.944 -9.860 0.892 373 2HG ARG 56 HG1 ARG 56 65.105 -8.834 2.316 374 1HD ARG 56 HD2 ARG 56 65.011 -11.023 3.233 375 2HD ARG 56 HD1 ARG 56 63.335 -10.458 3.377 376 HE ARG 56 HE ARG 56 63.562 -11.581 0.807 377 1HH1 ARG 56 HH2 ARG 56 65.266 -13.242 2.970 378 2HH1 ARG 56 HH2 ARG 56 64.176 -14.574 3.172 379 1HH2 ARG 56 HH1 ARG 56 61.543 -13.011 1.539 380 2HH2 ARG 56 HH1 ARG 56 62.068 -14.442 2.361 381 H ILE 57 HN ILE 57 62.555 -5.096 2.002 382 HA ILE 57 HA ILE 57 64.660 -4.747 4.029 383 HB ILE 57 HB ILE 57 62.232 -3.058 3.327 384 1HG1 ILE 57 HG12 ILE 57 63.559 -3.429 1.327 385 2HG1 ILE 57 HG11 ILE 57 63.911 -1.806 1.924 386 1HG2 ILE 57 HG21 ILE 57 63.862 -1.254 4.174 387 2HG2 ILE 57 HG22 ILE 57 64.804 -2.584 4.847 388 3HG2 ILE 57 HG23 ILE 57 63.150 -2.307 5.395 389 1HD1 ILE 57 HD1 ILE 57 65.846 -2.934 3.226 390 2HD1 ILE 57 HD1 ILE 57 66.047 -2.708 1.487 391 3HD1 ILE 57 HD1 ILE 57 65.602 -4.289 2.130 392 H SER 58 HN SER 58 62.378 -6.848 4.202 393 HA SER 58 HA SER 58 60.462 -6.327 6.144 394 1HB SER 58 HB2 SER 58 62.258 -8.650 5.510 395 2HB SER 58 HB1 SER 58 61.167 -8.762 6.888 396 HG SER 58 HG SER 58 59.578 -9.004 5.544 397 H GLY 59 HN GLY 59 60.501 -6.654 8.520 398 1HA GLY 59 HA2 GLY 59 62.514 -7.111 10.272 399 2HA GLY 59 HA1 GLY 59 62.935 -5.492 9.712 400 HA PRO 60 HA PRO 60 59.545 -5.327 12.955 401 1HB PRO 60 HB2 PRO 60 61.010 -4.986 15.233 402 2HB PRO 60 HB1 PRO 60 60.535 -6.586 14.630 403 1HG PRO 60 HG2 PRO 60 63.159 -5.229 14.514 404 2HG PRO 60 HG1 PRO 60 62.781 -6.953 14.621 405 1HD PRO 60 HD2 PRO 60 63.553 -5.583 12.315 406 2HD PRO 60 HD1 PRO 60 62.805 -7.193 12.369 407 H GLY 61 HN GLY 61 60.557 -3.367 11.211 408 1HA GLY 61 HA2 GLY 61 59.940 -0.940 11.662 409 2HA GLY 61 HA1 GLY 61 61.061 -1.040 13.021 410 H CYS 62 HN CYS 62 62.001 -2.826 10.261 411 HA CYS 62 HA CYS 62 64.505 -1.876 9.811 412 1HB CYS 62 HB2 CYS 62 62.913 -3.571 8.562 413 2HB CYS 62 HB1 CYS 62 62.680 -2.219 7.455 414 H LYS 63 HN LYS 63 65.259 0.193 9.674 415 HA LYS 63 HA LYS 63 63.577 2.261 8.307 416 1HB LYS 63 HB2 LYS 63 64.154 2.648 10.659 417 2HB LYS 63 HB1 LYS 63 65.866 2.403 10.303 418 1HG LYS 63 HG2 LYS 63 65.812 4.363 8.786 419 2HG LYS 63 HG1 LYS 63 64.117 4.621 9.197 420 1HD LYS 63 HD2 LYS 63 64.761 4.859 11.590 421 2HD LYS 63 HD1 LYS 63 66.454 4.696 11.128 422 1HE LYS 63 HE2 LYS 63 64.935 6.743 9.609 423 2HE LYS 63 HE1 LYS 63 65.201 7.105 11.325 424 1HZ LYS 63 HZ1 LYS 63 67.368 7.391 10.979 425 2HZ LYS 63 HZ2 LYS 63 67.058 7.341 9.310 426 3HZ LYS 63 HZ3 LYS 63 67.508 5.926 10.134 427 H ILE 64 HN ILE 64 64.663 3.672 6.759 428 HA ILE 64 HA ILE 64 67.430 2.979 5.939 429 HB ILE 64 HB ILE 64 64.957 2.617 4.221 430 1HG1 ILE 64 HG12 ILE 64 65.573 0.720 5.731 431 2HG1 ILE 64 HG11 ILE 64 65.716 0.304 4.027 432 1HG2 ILE 64 HG21 ILE 64 66.264 2.488 2.316 433 2HG2 ILE 64 HG22 ILE 64 67.710 2.028 3.214 434 3HG2 ILE 64 HG23 ILE 64 67.170 3.706 3.217 435 1HD1 ILE 64 HD1 ILE 64 67.732 0.174 6.027 436 2HD1 ILE 64 HD1 ILE 64 68.195 1.444 4.895 437 3HD1 ILE 64 HD1 ILE 64 67.887 -0.190 4.306 438 H SER 65 HN SER 65 68.444 4.873 5.313 439 HA SER 65 HA SER 65 66.702 7.099 4.322 440 1HB SER 65 HB2 SER 65 67.868 8.613 5.792 441 2HB SER 65 HB1 SER 65 67.351 7.238 6.763 442 HG SER 65 HG SER 65 69.513 7.684 7.186 443 H THR 66 HN THR 66 67.379 7.610 2.305 444 HA THR 66 HA THR 66 68.814 7.758 0.421 445 HB THR 66 HB THR 66 70.895 8.728 2.346 446 HG1 THR 66 HG1 THR 66 68.269 9.696 2.057 447 1HG2 THR 66 HG21 THR 66 69.907 10.532 0.296 448 2HG2 THR 66 HG22 THR 66 70.362 8.970 -0.389 449 3HG2 THR 66 HG23 THR 66 71.539 9.905 0.539 450 H CYS 67 HN CYS 67 68.840 5.153 1.074 451 HA CYS 67 HA CYS 67 71.728 4.373 1.344 452 1HB CYS 67 HB2 CYS 67 69.155 3.353 2.362 453 2HB CYS 67 HB1 CYS 67 70.178 2.100 1.671 454 H ILE 68 HN ILE 68 72.344 4.386 -0.889 455 HA ILE 68 HA ILE 68 70.640 3.354 -2.988 456 HB ILE 68 HB ILE 68 73.583 3.982 -2.689 457 1HG1 ILE 68 HG12 ILE 68 72.934 5.744 -4.367 458 2HG1 ILE 68 HG11 ILE 68 71.262 5.204 -4.214 459 1HG2 ILE 68 HG21 ILE 68 73.407 3.743 -5.324 460 2HG2 ILE 68 HG22 ILE 68 72.124 2.605 -4.916 461 3HG2 ILE 68 HG23 ILE 68 73.761 2.336 -4.321 462 1HD1 ILE 68 HD1 ILE 68 72.915 6.052 -1.827 463 2HD1 ILE 68 HD1 ILE 68 71.166 5.829 -1.911 464 3HD1 ILE 68 HD1 ILE 68 71.924 7.187 -2.746 465 H ILE 69 HN ILE 69 69.979 1.291 -2.105 466 HA ILE 69 HA ILE 69 72.026 -0.772 -1.615 467 HB ILE 69 HB ILE 69 68.993 -0.843 -1.623 468 1HG1 ILE 69 HG12 ILE 69 70.585 -0.686 0.902 469 2HG1 ILE 69 HG11 ILE 69 70.456 0.788 -0.056 470 1HG2 ILE 69 HG21 ILE 69 69.173 -2.855 -0.378 471 2HG2 ILE 69 HG22 ILE 69 70.895 -2.608 -0.079 472 3HG2 ILE 69 HG23 ILE 69 70.332 -3.033 -1.697 473 1HD1 ILE 69 HD1 ILE 69 68.410 1.113 0.821 474 2HD1 ILE 69 HD1 ILE 69 68.458 -0.462 1.617 475 3HD1 ILE 69 HD1 ILE 69 67.869 -0.327 -0.042 476 H THR 70 HN THR 70 71.935 -2.841 -2.812 477 HA THR 70 HA THR 70 70.491 -2.895 -5.388 478 HB THR 70 HB THR 70 73.479 -2.566 -5.069 479 HG1 THR 70 HG1 THR 70 73.135 -0.790 -6.265 480 1HG2 THR 70 HG21 THR 70 73.318 -4.372 -6.600 481 2HG2 THR 70 HG22 THR 70 73.468 -2.935 -7.614 482 3HG2 THR 70 HG23 THR 70 71.888 -3.687 -7.380 483 H GLY 71 HN GLY 71 69.623 -4.924 -4.691 484 1HA GLY 71 HA2 GLY 71 69.801 -7.307 -4.922 485 2HA GLY 71 HA1 GLY 71 71.560 -7.154 -4.843 486 H GLY 72 HN GLY 72 69.356 -5.593 -2.600 487 1HA GLY 72 HA2 GLY 72 68.932 -6.020 -0.324 488 2HA GLY 72 HA1 GLY 72 69.653 -7.617 -0.535 489 H VAL 73 HN VAL 73 71.563 -4.999 -1.665 490 HA VAL 73 HA VAL 73 73.252 -5.086 0.825 491 HB VAL 73 HB VAL 73 75.171 -5.069 -0.693 492 1HG1 VAL 73 HG11 VAL 73 73.066 -7.065 -1.582 493 2HG1 VAL 73 HG12 VAL 73 74.179 -7.269 -0.227 494 3HG1 VAL 73 HG13 VAL 73 74.797 -7.212 -1.879 495 1HG2 VAL 73 HG21 VAL 73 74.258 -5.414 -3.241 496 2HG2 VAL 73 HG22 VAL 73 74.736 -3.850 -2.578 497 3HG2 VAL 73 HG23 VAL 73 73.034 -4.316 -2.602 498 HA PRO 74 HA PRO 74 72.710 -0.674 0.391 499 1HB PRO 74 HB2 PRO 74 74.143 0.037 2.599 500 2HB PRO 74 HB1 PRO 74 72.501 -0.616 2.692 501 1HG PRO 74 HG2 PRO 74 75.089 -1.937 3.264 502 2HG PRO 74 HG1 PRO 74 73.493 -2.215 3.977 503 1HD PRO 74 HD2 PRO 74 74.715 -3.805 2.040 504 2HD PRO 74 HD1 PRO 74 72.991 -3.823 2.466 505 H ALA 75 HN ALA 75 74.055 1.086 -0.298 506 HA ALA 75 HA ALA 75 76.656 0.291 -1.421 507 1HB ALA 75 HB1 ALA 75 74.884 2.735 -1.427 508 2HB ALA 75 HB2 ALA 75 75.269 1.662 -2.773 509 3HB ALA 75 HB3 ALA 75 76.487 2.774 -2.154 510 HA PRO 76 HA PRO 76 79.130 2.211 1.691 511 1HB PRO 76 HB2 PRO 76 81.153 3.360 0.246 512 2HB PRO 76 HB1 PRO 76 80.990 1.605 0.451 513 1HG PRO 76 HG2 PRO 76 80.436 3.285 -1.900 514 2HG PRO 76 HG1 PRO 76 80.865 1.572 -1.808 515 1HD PRO 76 HD2 PRO 76 78.300 2.657 -2.237 516 2HD PRO 76 HD1 PRO 76 78.696 0.957 -1.924 517 H SER 77 HN SER 77 77.139 3.986 -0.127 518 HA SER 77 HA SER 77 78.020 6.661 -0.154 519 1HB SER 77 HB2 SER 77 75.889 5.529 -1.058 520 2HB SER 77 HB1 SER 77 75.225 5.754 0.556 521 HG SER 77 HG SER 77 75.907 7.633 -1.400 522 H ALA 78 HN ALA 78 78.369 8.151 1.451 523 HA ALA 78 HA ALA 78 78.369 7.392 4.226 524 1HB ALA 78 HB1 ALA 78 79.775 9.128 2.992 525 2HB ALA 78 HB2 ALA 78 79.128 9.643 4.550 526 3HB ALA 78 HB3 ALA 78 78.361 10.182 3.057 527 H ALA 79 HN ALA 79 75.824 8.400 2.173 528 HA ALA 79 HA ALA 79 74.258 9.603 4.393 529 1HB ALA 79 HB1 ALA 79 73.795 10.834 2.515 530 2HB ALA 79 HB2 ALA 79 72.620 9.557 2.220 531 3HB ALA 79 HB3 ALA 79 74.193 9.504 1.425 532 H CYS 80 HN CYS 80 74.756 6.564 2.872 533 HA CYS 80 HA CYS 80 72.091 5.468 3.331 534 1HB CYS 80 HB2 CYS 80 73.574 4.605 1.593 535 2HB CYS 80 HB1 CYS 80 74.826 4.267 2.785 536 H LYS 81 HN LYS 81 71.347 4.869 5.353 537 HA LYS 81 HA LYS 81 73.353 4.530 7.524 538 1HB LYS 81 HB2 LYS 81 71.807 5.616 8.773 539 2HB LYS 81 HB1 LYS 81 70.960 5.930 7.263 540 1HG LYS 81 HG2 LYS 81 70.505 3.540 9.079 541 2HG LYS 81 HG1 LYS 81 69.446 4.944 8.940 542 1HD LYS 81 HD2 LYS 81 68.523 4.196 7.013 543 2HD LYS 81 HD1 LYS 81 70.082 3.689 6.356 544 1HE LYS 81 HE2 LYS 81 68.531 1.752 6.778 545 2HE LYS 81 HE1 LYS 81 70.013 1.658 7.740 546 1HZ LYS 81 HZ1 LYS 81 68.958 2.402 9.636 547 2HZ LYS 81 HZ2 LYS 81 67.752 1.428 8.938 548 3HZ LYS 81 HZ3 LYS 81 67.681 3.119 8.780 549 H ILE 82 HN ILE 82 72.635 2.836 9.204 550 HA ILE 82 HA ILE 82 71.194 0.468 8.261 551 HB ILE 82 HB ILE 82 74.166 0.767 8.113 552 1HG1 ILE 82 HG12 ILE 82 73.161 -1.276 6.444 553 2HG1 ILE 82 HG11 ILE 82 71.930 -0.013 6.449 554 1HG2 ILE 82 HG21 ILE 82 72.852 -1.447 9.510 555 2HG2 ILE 82 HG22 ILE 82 74.568 -1.064 9.386 556 3HG2 ILE 82 HG23 ILE 82 73.777 -1.995 8.116 557 1HD1 ILE 82 HD1 ILE 82 73.237 0.937 4.844 558 2HD1 ILE 82 HD1 ILE 82 74.669 0.035 5.343 559 3HD1 ILE 82 HD1 ILE 82 74.194 1.489 6.221 560 H SER 83 HN SER 83 70.127 1.116 10.284 561 HA SER 83 HA SER 83 71.641 0.244 12.723 562 1HB SER 83 HB2 SER 83 70.748 2.773 12.040 563 2HB SER 83 HB1 SER 83 69.457 2.177 13.076 564 HG SER 83 HG SER 83 72.103 2.773 13.651 565 H GLY 84 HN GLY 84 70.483 -1.900 12.089 566 1HA GLY 84 HA2 GLY 84 68.884 -3.273 13.344 567 2HA GLY 84 HA1 GLY 84 67.805 -1.883 13.401 568 H CYS 85 HN CYS 85 68.721 -1.563 10.381 569 HA CYS 85 HA CYS 85 66.389 -2.998 9.345 570 1HB CYS 85 HB2 CYS 85 67.839 -0.705 8.719 571 2HB CYS 85 HB1 CYS 85 68.249 -1.816 7.418 572 H THR 86 HN THR 86 67.251 -3.777 6.826 573 HA THR 86 HA THR 86 69.617 -5.256 6.541 574 HB THR 86 HB THR 86 69.080 -6.511 8.504 575 HG1 THR 86 HG1 THR 86 69.042 -7.661 6.118 576 1HG2 THR 86 HG21 THR 86 66.410 -7.406 7.541 577 2HG2 THR 86 HG22 THR 86 66.519 -5.756 8.152 578 3HG2 THR 86 HG23 THR 86 66.967 -7.109 9.189 579 H PHE 87 HN PHE 87 69.599 -6.389 4.577 580 HA PHE 87 HA PHE 87 66.955 -6.563 3.175 581 1HB PHE 87 HB2 PHE 87 69.340 -6.003 1.509 582 2HB PHE 87 HB1 PHE 87 67.723 -5.324 1.408 583 HD1 PHE 87 HD1 PHE 87 70.925 -4.335 1.726 584 HD2 PHE 87 HD2 PHE 87 67.230 -4.016 3.900 585 HE1 PHE 87 HE1 PHE 87 71.730 -2.259 2.808 586 HE2 PHE 87 HE2 PHE 87 68.047 -1.929 4.984 587 HZ PHE 87 HZ PHE 87 70.296 -1.056 4.433 588 H SER 88 HN SER 88 66.894 -8.241 1.531 589 HA SER 88 HA SER 88 69.157 -10.176 1.499 590 1HB SER 88 HB2 SER 88 67.194 -10.526 3.286 591 2HB SER 88 HB1 SER 88 66.368 -11.202 1.887 592 HG SER 88 HG SER 88 68.020 -12.459 3.386 593 H ALA 89 HN ALA 89 67.888 -8.269 -0.422 594 HA ALA 89 HA ALA 89 67.119 -8.263 -2.653 595 1HB ALA 89 HB1 ALA 89 68.263 -11.074 -2.511 596 2HB ALA 89 HB2 ALA 89 69.231 -9.617 -2.736 597 3HB ALA 89 HB3 ALA 89 68.063 -10.096 -3.966 598 H ASN 90 HN ASN 90 64.853 -8.283 -1.825 599 HA ASN 90 HA ASN 90 63.350 -10.609 -1.235 600 1HB ASN 90 HB2 ASN 90 61.519 -9.127 -1.323 601 2HB ASN 90 HB1 ASN 90 62.874 -8.038 -1.042 602 1HD2 ASN 90 HD2 ASN 90 63.979 -8.055 -3.702 603 2HD2 ASN 90 HD2 ASN 90 62.877 -7.277 -4.731 Start of MODEL 18 1 1H ASP 1 HT1 ASP 1 47.686 10.116 1.988 2 2H ASP 1 HT2 ASP 1 47.817 10.282 0.302 3 3H ASP 1 HT3 ASP 1 49.206 10.017 1.243 4 HA ASP 1 HA ASP 1 48.581 7.969 0.129 5 1HB ASP 1 HB2 ASP 1 48.642 6.643 2.163 6 2HB ASP 1 HB1 ASP 1 49.575 8.112 2.446 7 H GLY 2 HN GLY 2 46.903 6.029 0.892 8 1HA GLY 2 HA2 GLY 2 44.477 5.755 1.534 9 2HA GLY 2 HA1 GLY 2 44.172 7.209 0.581 10 H SER 3 HN SER 3 45.652 6.741 -1.709 11 HA SER 3 HA SER 3 44.475 4.187 -2.756 12 1HB SER 3 HB2 SER 3 44.838 6.679 -4.405 13 2HB SER 3 HB1 SER 3 43.688 5.367 -4.626 14 HG SER 3 HG SER 3 43.654 7.523 -2.831 15 H CYS 4 HN CYS 4 46.620 6.617 -4.282 16 HA CYS 4 HA CYS 4 48.690 6.302 -5.384 17 1HB CYS 4 HB2 CYS 4 49.004 4.452 -3.001 18 2HB CYS 4 HB1 CYS 4 50.314 5.211 -3.909 19 H THR 5 HN THR 5 50.315 3.901 -5.320 20 HA THR 5 HA THR 5 49.109 1.469 -5.993 21 HB THR 5 HB THR 5 48.928 3.596 -8.101 22 HG1 THR 5 HG1 THR 5 47.429 1.492 -7.065 23 1HG2 THR 5 HG21 THR 5 48.940 1.881 -9.904 24 2HG2 THR 5 HG22 THR 5 49.462 0.672 -8.731 25 3HG2 THR 5 HG23 THR 5 50.517 2.029 -9.129 26 H ASN 6 HN ASN 6 51.512 3.909 -6.707 27 HA ASN 6 HA ASN 6 53.848 3.730 -6.946 28 1HB ASN 6 HB2 ASN 6 53.657 0.810 -6.246 29 2HB ASN 6 HB1 ASN 6 54.787 2.029 -5.678 30 1HD2 ASN 6 HD2 ASN 6 53.541 3.914 -4.383 31 2HD2 ASN 6 HD2 ASN 6 52.431 3.351 -3.231 32 H THR 7 HN THR 7 52.613 3.730 -9.268 33 HA THR 7 HA THR 7 53.020 3.166 -11.534 34 HB THR 7 HB THR 7 54.660 0.828 -10.554 35 HG1 THR 7 HG1 THR 7 55.263 3.586 -10.470 36 1HG2 THR 7 HG21 THR 7 55.075 0.743 -12.766 37 2HG2 THR 7 HG22 THR 7 55.926 2.279 -12.603 38 3HG2 THR 7 HG23 THR 7 54.216 2.260 -13.035 39 H ASN 8 HN ASN 8 52.749 0.264 -9.447 40 HA ASN 8 HA ASN 8 50.129 -0.456 -10.290 41 1HB ASN 8 HB2 ASN 8 52.346 -1.064 -12.106 42 2HB ASN 8 HB1 ASN 8 51.404 -2.491 -11.676 43 1HD2 ASN 8 HD2 ASN 8 48.895 -2.100 -11.820 44 2HD2 ASN 8 HD2 ASN 8 48.360 -1.185 -13.144 45 H SER 9 HN SER 9 51.175 -0.563 -7.821 46 HA SER 9 HA SER 9 51.854 -3.445 -7.331 47 1HB SER 9 HB2 SER 9 52.407 -1.081 -5.530 48 2HB SER 9 HB1 SER 9 53.176 -2.665 -5.507 49 HG SER 9 HG SER 9 53.340 -0.723 -7.576 50 H GLN 10 HN GLN 10 51.430 -2.697 -4.383 51 HA GLN 10 HA GLN 10 48.430 -2.630 -4.402 52 1HB GLN 10 HB2 GLN 10 49.846 -4.275 -2.364 53 2HB GLN 10 HB1 GLN 10 48.318 -4.583 -3.181 54 1HG GLN 10 HG2 GLN 10 49.648 -5.082 -5.276 55 2HG GLN 10 HG1 GLN 10 51.109 -4.988 -4.291 56 1HE2 GLN 10 HE21 GLN 10 50.329 -7.444 -5.568 57 2HE2 GLN 10 HE22 GLN 10 49.902 -8.559 -4.361 58 H LEU 11 HN LEU 11 51.427 -2.116 -2.534 59 HA LEU 11 HA LEU 11 51.786 -0.822 -0.573 60 1HB LEU 11 HB2 LEU 11 51.238 0.849 -2.378 61 2HB LEU 11 HB1 LEU 11 49.550 0.776 -1.869 62 HG LEU 11 HG LEU 11 50.101 1.606 0.328 63 1HD1 LEU 11 HD1 LEU 11 52.970 1.339 -0.610 64 2HD1 LEU 11 HD1 LEU 11 52.200 0.467 0.716 65 3HD1 LEU 11 HD1 LEU 11 52.495 2.200 0.855 66 1HD2 LEU 11 HD2 LEU 11 49.951 3.605 -0.719 67 2HD2 LEU 11 HD2 LEU 11 50.880 3.033 -2.104 68 3HD2 LEU 11 HD2 LEU 11 51.713 3.638 -0.672 69 H SER 12 HN SER 12 50.834 -2.593 0.723 70 HA SER 12 HA SER 12 48.197 -3.101 1.368 71 1HB SER 12 HB2 SER 12 49.374 -4.398 2.789 72 2HB SER 12 HB1 SER 12 50.801 -3.398 2.546 73 HG SER 12 HG SER 12 50.437 -2.491 4.402 74 H ALA 13 HN ALA 13 46.617 -2.178 2.751 75 HA ALA 13 HA ALA 13 46.500 0.662 2.972 76 1HB ALA 13 HB1 ALA 13 45.101 -1.530 4.548 77 2HB ALA 13 HB2 ALA 13 44.566 -0.877 2.998 78 3HB ALA 13 HB3 ALA 13 44.558 0.144 4.436 79 H ASN 14 HN ASN 14 48.238 -1.639 4.815 80 HA ASN 14 HA ASN 14 48.326 -0.007 7.277 81 1HB ASN 14 HB2 ASN 14 48.186 -2.482 7.303 82 2HB ASN 14 HB1 ASN 14 49.712 -2.571 6.424 83 1HD2 ASN 14 HD2 ASN 14 50.029 -3.877 8.678 84 2HD2 ASN 14 HD2 ASN 14 50.749 -2.959 9.911 85 H SER 15 HN SER 15 49.859 0.095 4.299 86 HA SER 15 HA SER 15 52.554 0.778 5.336 87 1HB SER 15 HB2 SER 15 52.323 -0.566 3.295 88 2HB SER 15 HB1 SER 15 51.314 0.675 2.563 89 HG SER 15 HG SER 15 53.963 1.116 3.475 90 H LYS 16 HN LYS 16 53.131 2.801 3.382 91 HA LYS 16 HA LYS 16 51.244 5.013 4.080 92 1HB LYS 16 HB2 LYS 16 53.665 4.539 5.350 93 2HB LYS 16 HB1 LYS 16 54.082 5.752 4.135 94 1HG LYS 16 HG2 LYS 16 51.763 6.804 5.028 95 2HG LYS 16 HG1 LYS 16 52.284 5.974 6.495 96 1HD LYS 16 HD2 LYS 16 54.336 7.193 6.573 97 2HD LYS 16 HD1 LYS 16 54.121 7.797 4.928 98 1HE LYS 16 HE2 LYS 16 52.301 9.220 5.587 99 2HE LYS 16 HE1 LYS 16 52.193 8.446 7.179 100 1HZ LYS 16 HZ1 LYS 16 53.473 10.354 7.544 101 2HZ LYS 16 HZ2 LYS 16 54.368 10.147 6.115 102 3HZ LYS 16 HZ3 LYS 16 54.614 9.106 7.434 103 H CYS 17 HN CYS 17 51.480 6.874 2.618 104 HA CYS 17 HA CYS 17 53.097 6.413 0.164 105 1HB CYS 17 HB2 CYS 17 50.990 5.290 -0.246 106 2HB CYS 17 HB1 CYS 17 50.086 6.691 0.323 107 H GLU 18 HN GLU 18 54.142 8.339 -0.074 108 HA GLU 18 HA GLU 18 52.557 10.852 -0.005 109 1HB GLU 18 HB2 GLU 18 54.440 9.895 2.004 110 2HB GLU 18 HB1 GLU 18 54.948 11.447 1.335 111 1HG GLU 18 HG2 GLU 18 52.836 12.464 1.884 112 2HG GLU 18 HG1 GLU 18 52.137 10.903 2.316 113 H LYS 19 HN LYS 19 53.127 10.267 -2.389 114 HA LYS 19 HA LYS 19 54.389 10.823 -4.317 115 1HB LYS 19 HB2 LYS 19 54.706 12.832 -2.392 116 2HB LYS 19 HB1 LYS 19 56.354 12.460 -2.895 117 1HG LYS 19 HG2 LYS 19 55.062 12.496 -5.307 118 2HG LYS 19 HG1 LYS 19 54.161 13.724 -4.416 119 1HD LYS 19 HD2 LYS 19 56.416 14.714 -3.752 120 2HD LYS 19 HD1 LYS 19 57.139 13.640 -4.949 121 1HE LYS 19 HE2 LYS 19 55.108 14.753 -6.414 122 2HE LYS 19 HE1 LYS 19 55.566 16.105 -5.360 123 1HZ LYS 19 HZ1 LYS 19 57.303 14.527 -7.167 124 2HZ LYS 19 HZ2 LYS 19 57.941 15.452 -5.893 125 3HZ LYS 19 HZ3 LYS 19 57.069 16.204 -7.141 126 H SER 20 HN SER 20 55.699 9.184 -5.081 127 HA SER 20 HA SER 20 58.356 8.754 -3.856 128 1HB SER 20 HB2 SER 20 56.775 6.272 -4.115 129 2HB SER 20 HB1 SER 20 57.853 6.787 -2.821 130 HG SER 20 HG SER 20 55.592 6.698 -2.238 131 H THR 21 HN THR 21 59.500 6.882 -5.119 132 HA THR 21 HA THR 21 58.614 6.982 -7.990 133 HB THR 21 HB THR 21 61.443 6.680 -6.946 134 HG1 THR 21 HG1 THR 21 61.275 9.051 -7.796 135 1HG2 THR 21 HG21 THR 21 62.102 7.105 -9.153 136 2HG2 THR 21 HG22 THR 21 60.568 7.869 -9.566 137 3HG2 THR 21 HG23 THR 21 60.657 6.118 -9.373 138 H LEU 22 HN LEU 22 57.968 4.980 -5.863 139 HA LEU 22 HA LEU 22 59.537 2.614 -6.098 140 1HB LEU 22 HB2 LEU 22 56.533 2.838 -5.746 141 2HB LEU 22 HB1 LEU 22 57.577 1.555 -5.143 142 HG LEU 22 HG LEU 22 57.386 4.414 -4.193 143 1HD1 LEU 22 HD1 LEU 22 55.906 2.683 -3.199 144 2HD1 LEU 22 HD1 LEU 22 57.058 3.317 -2.025 145 3HD1 LEU 22 HD1 LEU 22 57.331 1.739 -2.762 146 1HD2 LEU 22 HD2 LEU 22 59.506 2.449 -3.303 147 2HD2 LEU 22 HD2 LEU 22 59.397 4.172 -2.945 148 3HD2 LEU 22 HD2 LEU 22 59.813 3.637 -4.570 149 H THR 23 HN THR 23 58.312 0.555 -7.099 150 HA THR 23 HA THR 23 56.893 1.023 -9.612 151 HB THR 23 HB THR 23 59.830 0.268 -9.557 152 HG1 THR 23 HG1 THR 23 58.298 2.407 -10.564 153 1HG2 THR 23 HG21 THR 23 59.716 -0.375 -11.803 154 2HG2 THR 23 HG22 THR 23 58.171 0.435 -12.056 155 3HG2 THR 23 HG23 THR 23 58.238 -1.070 -11.139 156 H ASN 24 HN ASN 24 55.563 -0.760 -9.706 157 HA ASN 24 HA ASN 24 54.793 -2.971 -9.278 158 1HB ASN 24 HB2 ASN 24 57.655 -3.134 -10.214 159 2HB ASN 24 HB1 ASN 24 56.766 -4.610 -9.834 160 1HD2 ASN 24 HD2 ASN 24 56.717 -5.254 -12.114 161 2HD2 ASN 24 HD2 ASN 24 55.714 -4.458 -13.228 162 H CYS 25 HN CYS 25 55.424 -1.594 -6.914 163 HA CYS 25 HA CYS 25 57.230 -3.260 -5.302 164 1HB CYS 25 HB2 CYS 25 56.637 -0.641 -5.310 165 2HB CYS 25 HB1 CYS 25 55.447 -1.175 -4.125 166 H TYR 26 HN TYR 26 55.683 -2.893 -2.886 167 HA TYR 26 HA TYR 26 53.094 -4.021 -2.847 168 1HB TYR 26 HB2 TYR 26 54.041 -5.973 -3.917 169 2HB TYR 26 HB1 TYR 26 55.432 -5.963 -2.836 170 HD1 TYR 26 HD1 TYR 26 52.141 -5.185 -1.444 171 HD2 TYR 26 HD2 TYR 26 54.952 -8.338 -2.234 172 HE1 TYR 26 HE1 TYR 26 50.940 -6.658 0.148 173 HE2 TYR 26 HE2 TYR 26 53.749 -9.808 -0.641 174 HH TYR 26 HH TYR 26 51.909 -8.936 1.629 175 H VAL 27 HN VAL 27 54.636 -2.088 -1.571 176 HA VAL 27 HA VAL 27 55.942 -2.642 0.812 177 HB VAL 27 HB VAL 27 53.931 -0.442 0.272 178 1HG1 VAL 27 HG11 VAL 27 55.566 0.851 1.709 179 2HG1 VAL 27 HG12 VAL 27 56.359 -0.686 2.069 180 3HG1 VAL 27 HG13 VAL 27 54.682 -0.421 2.557 181 1HG2 VAL 27 HG21 VAL 27 56.275 0.653 -0.437 182 2HG2 VAL 27 HG22 VAL 27 55.298 -0.253 -1.596 183 3HG2 VAL 27 HG23 VAL 27 56.667 -1.026 -0.804 184 H ASP 28 HN ASP 28 55.300 -2.891 2.971 185 HA ASP 28 HA ASP 28 52.450 -3.095 3.703 186 1HB ASP 28 HB2 ASP 28 54.112 -5.351 2.915 187 2HB ASP 28 HB1 ASP 28 53.568 -5.530 4.584 188 H LYS 29 HN LYS 29 52.300 -2.401 5.828 189 HA LYS 29 HA LYS 29 52.999 -1.737 7.993 190 1HB LYS 29 HB2 LYS 29 54.815 -4.096 7.408 191 2HB LYS 29 HB1 LYS 29 54.636 -3.363 9.001 192 1HG LYS 29 HG2 LYS 29 52.415 -4.070 9.219 193 2HG LYS 29 HG1 LYS 29 52.207 -4.276 7.479 194 1HD LYS 29 HD2 LYS 29 52.511 -6.489 8.007 195 2HD LYS 29 HD1 LYS 29 54.213 -6.039 7.901 196 1HE LYS 29 HE2 LYS 29 53.514 -5.324 10.507 197 2HE LYS 29 HE1 LYS 29 52.683 -6.871 10.246 198 1HZ LYS 29 HZ1 LYS 29 54.786 -7.713 9.268 199 2HZ LYS 29 HZ2 LYS 29 54.919 -7.335 10.920 200 3HZ LYS 29 HZ3 LYS 29 55.554 -6.279 9.750 201 H SER 30 HN SER 30 54.529 -0.846 5.401 202 HA SER 30 HA SER 30 56.976 0.147 6.832 203 1HB SER 30 HB2 SER 30 56.494 -0.609 3.934 204 2HB SER 30 HB1 SER 30 57.988 0.106 4.534 205 HG SER 30 HG SER 30 58.540 -1.805 5.185 206 H GLU 31 HN GLU 31 57.840 2.150 5.396 207 HA GLU 31 HA GLU 31 55.489 3.994 5.047 208 1HB GLU 31 HB2 GLU 31 57.696 4.068 6.770 209 2HB GLU 31 HB1 GLU 31 58.088 5.234 5.504 210 1HG GLU 31 HG2 GLU 31 56.028 6.433 5.866 211 2HG GLU 31 HG1 GLU 31 55.426 5.177 6.948 212 H VAL 32 HN VAL 32 58.930 4.182 4.134 213 HA VAL 32 HA VAL 32 59.947 4.524 2.027 214 HB VAL 32 HB VAL 32 57.249 3.779 0.877 215 1HG1 VAL 32 HG11 VAL 32 58.836 2.601 -0.761 216 2HG1 VAL 32 HG12 VAL 32 60.131 3.529 -0.004 217 3HG1 VAL 32 HG13 VAL 32 58.811 4.363 -0.823 218 1HG2 VAL 32 HG21 VAL 32 59.108 2.192 2.544 219 2HG2 VAL 32 HG22 VAL 32 58.638 1.422 1.028 220 3HG2 VAL 32 HG23 VAL 32 57.403 1.915 2.186 221 H TYR 33 HN TYR 33 60.213 6.384 0.773 222 HA TYR 33 HA TYR 33 57.876 8.215 0.473 223 1HB TYR 33 HB2 TYR 33 60.517 8.700 1.848 224 2HB TYR 33 HB1 TYR 33 59.585 10.044 1.182 225 HD1 TYR 33 HD1 TYR 33 57.654 10.874 2.296 226 HD2 TYR 33 HD2 TYR 33 59.405 7.148 3.519 227 HE1 TYR 33 HE1 TYR 33 56.156 10.819 4.271 228 HE2 TYR 33 HE2 TYR 33 57.909 7.093 5.493 229 HH TYR 33 HH TYR 33 56.650 8.910 6.899 230 H GLY 34 HN GLY 34 61.391 8.510 -0.132 231 1HA GLY 34 HA2 GLY 34 60.715 9.155 -2.967 232 2HA GLY 34 HA1 GLY 34 62.186 9.675 -2.141 233 H THR 35 HN THR 35 61.093 6.439 -1.613 234 HA THR 35 HA THR 35 63.566 5.301 -2.583 235 HB THR 35 HB THR 35 60.890 4.074 -1.853 236 HG1 THR 35 HG1 THR 35 63.263 4.505 -0.366 237 1HG2 THR 35 HG21 THR 35 63.605 2.937 -2.436 238 2HG2 THR 35 HG22 THR 35 62.024 2.368 -2.969 239 3HG2 THR 35 HG23 THR 35 62.533 2.122 -1.298 240 H THR 36 HN THR 36 63.737 3.687 -4.301 241 HA THR 36 HA THR 36 61.853 4.202 -6.578 242 HB THR 36 HB THR 36 64.764 3.343 -6.638 243 HG1 THR 36 HG1 THR 36 64.656 5.374 -5.733 244 1HG2 THR 36 HG21 THR 36 64.679 3.676 -8.933 245 2HG2 THR 36 HG22 THR 36 63.318 4.794 -8.824 246 3HG2 THR 36 HG23 THR 36 63.055 3.059 -8.633 247 H CYS 37 HN CYS 37 61.081 2.258 -4.783 248 HA CYS 37 HA CYS 37 61.918 -0.344 -4.811 249 1HB CYS 37 HB2 CYS 37 59.815 0.674 -3.838 250 2HB CYS 37 HB1 CYS 37 59.087 0.532 -5.430 251 H THR 38 HN THR 38 62.907 -1.274 -6.636 252 HA THR 38 HA THR 38 61.469 -1.113 -9.245 253 HB THR 38 HB THR 38 64.208 -2.203 -8.510 254 HG1 THR 38 HG1 THR 38 64.338 -0.001 -9.945 255 1HG2 THR 38 HG21 THR 38 64.472 -2.752 -10.692 256 2HG2 THR 38 HG22 THR 38 63.699 -1.267 -11.245 257 3HG2 THR 38 HG23 THR 38 62.713 -2.656 -10.788 258 H GLY 39 HN GLY 39 59.767 -2.625 -8.745 259 1HA GLY 39 HA2 GLY 39 58.799 -4.757 -8.707 260 2HA GLY 39 HA1 GLY 39 60.322 -5.354 -9.368 261 H SER 40 HN SER 40 59.871 -3.699 -6.254 262 HA SER 40 HA SER 40 60.582 -6.269 -4.872 263 1HB SER 40 HB2 SER 40 61.570 -3.655 -3.826 264 2HB SER 40 HB1 SER 40 62.350 -5.235 -3.807 265 HG SER 40 HG SER 40 63.274 -4.748 -5.624 266 H ARG 41 HN ARG 41 60.601 -4.842 -2.281 267 HA ARG 41 HA ARG 41 58.169 -3.413 -1.788 268 1HB ARG 41 HB2 ARG 41 56.707 -5.188 -1.064 269 2HB ARG 41 HB1 ARG 41 57.313 -5.659 -2.648 270 1HG ARG 41 HG2 ARG 41 59.104 -6.990 -1.505 271 2HG ARG 41 HG1 ARG 41 58.338 -6.613 0.038 272 1HD ARG 41 HD2 ARG 41 56.402 -7.873 -0.475 273 2HD ARG 41 HD1 ARG 41 56.764 -7.880 -2.212 274 HE ARG 41 HE ARG 41 58.961 -9.132 -1.238 275 1HH1 ARG 41 HH1 ARG 41 56.751 -10.729 -2.487 276 2HH1 ARG 41 HH1 ARG 41 56.360 -11.853 -1.227 277 1HH2 ARG 41 HH2 ARG 41 57.976 -10.042 1.251 278 2HH2 ARG 41 HH2 ARG 41 57.055 -11.464 0.889 279 H PHE 42 HN PHE 42 57.471 -3.952 0.687 280 HA PHE 42 HA PHE 42 59.948 -4.441 2.300 281 1HB PHE 42 HB2 PHE 42 57.874 -2.292 2.826 282 2HB PHE 42 HB1 PHE 42 59.425 -2.495 3.638 283 HD1 PHE 42 HD1 PHE 42 57.858 -1.755 0.356 284 HD2 PHE 42 HD2 PHE 42 61.405 -1.525 2.749 285 HE1 PHE 42 HE1 PHE 42 58.914 -0.308 -1.358 286 HE2 PHE 42 HE2 PHE 42 62.474 -0.086 1.036 287 HZ PHE 42 HZ PHE 42 61.218 0.521 -1.014 288 H ASP 43 HN ASP 43 58.895 -4.237 4.799 289 HA ASP 43 HA ASP 43 56.280 -5.434 5.120 290 1HB ASP 43 HB2 ASP 43 58.240 -7.152 4.212 291 2HB ASP 43 HB1 ASP 43 58.318 -7.394 5.959 292 H GLY 44 HN GLY 44 57.387 -3.248 6.352 293 1HA GLY 44 HA2 GLY 44 56.996 -2.808 8.776 294 2HA GLY 44 HA1 GLY 44 57.932 -4.263 9.110 295 H VAL 45 HN VAL 45 58.425 -1.287 7.145 296 HA VAL 45 HA VAL 45 61.000 -0.912 8.611 297 HB VAL 45 HB VAL 45 62.228 -0.780 6.588 298 1HG1 VAL 45 HG11 VAL 45 61.535 -2.844 5.300 299 2HG1 VAL 45 HG12 VAL 45 60.113 -2.928 6.337 300 3HG1 VAL 45 HG13 VAL 45 61.727 -3.085 7.037 301 1HG2 VAL 45 HG21 VAL 45 60.606 -1.060 4.406 302 2HG2 VAL 45 HG22 VAL 45 61.184 0.493 5.011 303 3HG2 VAL 45 HG23 VAL 45 59.581 -0.089 5.465 304 H THR 46 HN THR 46 61.866 1.270 7.038 305 HA THR 46 HA THR 46 59.729 3.279 6.907 306 HB THR 46 HB THR 46 61.893 3.367 9.030 307 HG1 THR 46 HG1 THR 46 60.365 2.780 10.407 308 1HG2 THR 46 HG21 THR 46 59.888 5.245 9.573 309 2HG2 THR 46 HG22 THR 46 60.195 5.398 7.843 310 3HG2 THR 46 HG23 THR 46 61.518 5.584 8.992 311 H ILE 47 HN ILE 47 61.415 2.482 4.884 312 HA ILE 47 HA ILE 47 63.840 4.119 4.766 313 HB ILE 47 HB ILE 47 63.759 1.973 3.671 314 1HG1 ILE 47 HG12 ILE 47 63.426 3.972 1.433 315 2HG1 ILE 47 HG11 ILE 47 64.846 3.976 2.478 316 1HG2 ILE 47 HG21 ILE 47 61.078 2.815 3.047 317 2HG2 ILE 47 HG22 ILE 47 61.787 1.208 2.904 318 3HG2 ILE 47 HG23 ILE 47 61.902 2.346 1.561 319 1HD1 ILE 47 HD1 ILE 47 63.951 1.427 1.156 320 2HD1 ILE 47 HD1 ILE 47 65.555 1.868 1.739 321 3HD1 ILE 47 HD1 ILE 47 64.924 2.597 0.262 322 H THR 48 HN THR 48 64.145 5.728 2.972 323 HA THR 48 HA THR 48 61.611 7.117 2.182 324 HB THR 48 HB THR 48 62.789 9.245 2.824 325 HG1 THR 48 HG1 THR 48 64.840 7.585 2.984 326 1HG2 THR 48 HG21 THR 48 62.266 7.082 4.856 327 2HG2 THR 48 HG22 THR 48 61.252 8.464 4.435 328 3HG2 THR 48 HG23 THR 48 62.740 8.706 5.352 329 H THR 49 HN THR 49 64.145 9.118 1.445 330 HA THR 49 HA THR 49 64.041 8.540 -1.382 331 HB THR 49 HB THR 49 65.947 10.212 0.290 332 HG1 THR 49 HG1 THR 49 63.587 10.907 -1.118 333 1HG2 THR 49 HG21 THR 49 66.714 9.653 -2.036 334 2HG2 THR 49 HG22 THR 49 66.459 11.377 -1.763 335 3HG2 THR 49 HG23 THR 49 65.257 10.438 -2.648 336 H SER 50 HN SER 50 64.705 6.127 -0.929 337 HA SER 50 HA SER 50 67.699 5.932 -1.006 338 1HB SER 50 HB2 SER 50 67.188 4.866 0.977 339 2HB SER 50 HB1 SER 50 65.549 4.487 0.462 340 HG SER 50 HG SER 50 67.291 2.747 0.597 341 H THR 51 HN THR 51 68.565 4.563 -2.608 342 HA THR 51 HA THR 51 66.612 3.620 -4.670 343 HB THR 51 HB THR 51 69.426 3.526 -5.379 344 HG1 THR 51 HG1 THR 51 69.417 5.988 -5.255 345 1HG2 THR 51 HG21 THR 51 68.694 4.790 -7.246 346 2HG2 THR 51 HG22 THR 51 67.336 5.472 -6.351 347 3HG2 THR 51 HG23 THR 51 67.315 3.774 -6.826 348 H SER 52 HN SER 52 66.278 1.430 -4.795 349 HA SER 52 HA SER 52 68.478 -0.400 -3.913 350 1HB SER 52 HB2 SER 52 67.151 -1.287 -2.282 351 2HB SER 52 HB1 SER 52 66.220 0.200 -2.446 352 HG SER 52 HG SER 52 64.697 -0.866 -3.469 353 H THR 53 HN THR 53 68.756 -2.146 -5.330 354 HA THR 53 HA THR 53 66.686 -2.414 -7.491 355 HB THR 53 HB THR 53 69.308 -3.647 -7.935 356 HG1 THR 53 HG1 THR 53 69.362 -0.857 -7.935 357 1HG2 THR 53 HG21 THR 53 67.234 -2.147 -9.328 358 2HG2 THR 53 HG22 THR 53 68.421 -3.280 -9.977 359 3HG2 THR 53 HG23 THR 53 68.849 -1.584 -9.762 360 H GLY 54 HN GLY 54 65.390 -3.917 -6.275 361 1HA GLY 54 HA2 GLY 54 64.736 -6.144 -5.831 362 2HA GLY 54 HA1 GLY 54 66.295 -6.682 -6.465 363 H SER 55 HN SER 55 64.582 -5.649 -3.598 364 HA SER 55 HA SER 55 66.562 -6.967 -1.889 365 1HB SER 55 HB2 SER 55 67.112 -4.826 -0.697 366 2HB SER 55 HB1 SER 55 67.680 -4.851 -2.365 367 HG SER 55 HG SER 55 65.707 -3.738 -2.901 368 H ARG 56 HN ARG 56 65.432 -7.755 -0.143 369 HA ARG 56 HA ARG 56 62.697 -6.712 0.360 370 1HB ARG 56 HB2 ARG 56 63.314 -9.168 0.098 371 2HB ARG 56 HB1 ARG 56 64.165 -9.036 1.636 372 1HG ARG 56 HG2 ARG 56 62.239 -8.997 2.844 373 2HG ARG 56 HG1 ARG 56 61.425 -7.951 1.682 374 1HD ARG 56 HD2 ARG 56 60.330 -10.155 1.720 375 2HD ARG 56 HD1 ARG 56 61.155 -9.939 0.163 376 HE ARG 56 HE ARG 56 62.895 -11.441 0.913 377 1HH1 ARG 56 HH1 ARG 56 62.976 -10.684 3.798 378 2HH1 ARG 56 HH1 ARG 56 62.294 -12.081 4.565 379 1HH2 ARG 56 HH2 ARG 56 60.879 -13.318 1.650 380 2HH2 ARG 56 HH2 ARG 56 61.105 -13.570 3.349 381 H ILE 57 HN ILE 57 62.799 -4.903 1.665 382 HA ILE 57 HA ILE 57 64.843 -4.610 3.743 383 HB ILE 57 HB ILE 57 62.345 -2.990 3.216 384 1HG1 ILE 57 HG12 ILE 57 63.390 -3.092 1.090 385 2HG1 ILE 57 HG11 ILE 57 63.997 -1.597 1.801 386 1HG2 ILE 57 HG21 ILE 57 64.949 -2.548 4.645 387 2HG2 ILE 57 HG22 ILE 57 63.311 -2.167 5.178 388 3HG2 ILE 57 HG23 ILE 57 64.093 -1.173 3.948 389 1HD1 ILE 57 HD1 ILE 57 65.463 -4.247 1.953 390 2HD1 ILE 57 HD1 ILE 57 66.077 -2.665 2.435 391 3HD1 ILE 57 HD1 ILE 57 65.783 -3.017 0.731 392 H SER 58 HN SER 58 62.412 -6.681 3.739 393 HA SER 58 HA SER 58 60.532 -6.405 5.673 394 1HB SER 58 HB2 SER 58 62.387 -8.524 4.809 395 2HB SER 58 HB1 SER 58 61.695 -8.792 6.406 396 HG SER 58 HG SER 58 60.249 -8.175 4.032 397 H GLY 59 HN GLY 59 60.417 -6.329 7.965 398 1HA GLY 59 HA2 GLY 59 62.515 -6.776 9.793 399 2HA GLY 59 HA1 GLY 59 62.613 -5.080 9.329 400 HA PRO 60 HA PRO 60 59.100 -5.767 12.369 401 1HB PRO 60 HB2 PRO 60 60.346 -5.891 14.797 402 2HB PRO 60 HB1 PRO 60 59.994 -7.333 13.828 403 1HG PRO 60 HG2 PRO 60 62.557 -5.968 14.299 404 2HG PRO 60 HG1 PRO 60 62.233 -7.658 13.897 405 1HD PRO 60 HD2 PRO 60 63.128 -5.634 12.140 406 2HD PRO 60 HD1 PRO 60 62.593 -7.271 11.702 407 H GLY 61 HN GLY 61 60.568 -3.487 11.208 408 1HA GLY 61 HA2 GLY 61 59.700 -1.197 12.002 409 2HA GLY 61 HA1 GLY 61 60.588 -1.562 13.482 410 H CYS 62 HN CYS 62 61.728 -2.441 10.255 411 HA CYS 62 HA CYS 62 64.358 -1.539 10.557 412 1HB CYS 62 HB2 CYS 62 63.831 -2.899 8.692 413 2HB CYS 62 HB1 CYS 62 62.483 -1.883 8.222 414 H LYS 63 HN LYS 63 65.388 0.380 9.424 415 HA LYS 63 HA LYS 63 63.660 2.784 9.144 416 1HB LYS 63 HB2 LYS 63 64.204 2.804 11.484 417 2HB LYS 63 HB1 LYS 63 65.873 2.331 11.165 418 1HG LYS 63 HG2 LYS 63 65.977 4.558 9.790 419 2HG LYS 63 HG1 LYS 63 64.555 5.001 10.737 420 1HD LYS 63 HD2 LYS 63 65.736 4.838 12.786 421 2HD LYS 63 HD1 LYS 63 67.061 3.943 12.044 422 1HE LYS 63 HE2 LYS 63 67.737 6.285 12.441 423 2HE LYS 63 HE1 LYS 63 67.635 5.977 10.697 424 1HZ LYS 63 HZ1 LYS 63 65.075 6.625 11.489 425 2HZ LYS 63 HZ2 LYS 63 66.143 7.608 10.603 426 3HZ LYS 63 HZ3 LYS 63 66.069 7.738 12.294 427 H ILE 64 HN ILE 64 64.332 3.241 6.997 428 HA ILE 64 HA ILE 64 67.292 3.408 6.591 429 HB ILE 64 HB ILE 64 65.281 2.948 4.397 430 1HG1 ILE 64 HG12 ILE 64 66.373 0.948 6.385 431 2HG1 ILE 64 HG11 ILE 64 64.720 1.141 5.815 432 1HG2 ILE 64 HG21 ILE 64 67.534 3.503 3.699 433 2HG2 ILE 64 HG22 ILE 64 67.277 1.786 3.395 434 3HG2 ILE 64 HG23 ILE 64 68.218 2.302 4.793 435 1HD1 ILE 64 HD1 ILE 64 65.343 0.321 3.602 436 2HD1 ILE 64 HD1 ILE 64 65.842 -0.852 4.820 437 3HD1 ILE 64 HD1 ILE 64 67.035 0.221 4.087 438 H SER 65 HN SER 65 68.014 5.071 5.093 439 HA SER 65 HA SER 65 66.163 7.153 4.201 440 1HB SER 65 HB2 SER 65 66.572 8.712 5.855 441 2HB SER 65 HB1 SER 65 66.839 7.260 6.815 442 HG SER 65 HG SER 65 68.894 7.716 6.899 443 H THR 66 HN THR 66 67.099 7.213 2.163 444 HA THR 66 HA THR 66 68.715 7.774 0.529 445 HB THR 66 HB THR 66 70.547 8.551 2.789 446 HG1 THR 66 HG1 THR 66 68.067 9.617 2.093 447 1HG2 THR 66 HG21 THR 66 70.343 10.513 0.780 448 2HG2 THR 66 HG22 THR 66 70.340 8.962 -0.066 449 3HG2 THR 66 HG23 THR 66 71.667 9.374 1.022 450 H CYS 67 HN CYS 67 68.825 5.355 0.337 451 HA CYS 67 HA CYS 67 71.588 4.397 0.979 452 1HB CYS 67 HB2 CYS 67 68.968 2.921 1.447 453 2HB CYS 67 HB1 CYS 67 70.571 2.232 1.670 454 H ILE 68 HN ILE 68 72.470 3.760 -0.987 455 HA ILE 68 HA ILE 68 70.631 3.075 -3.215 456 HB ILE 68 HB ILE 68 73.604 3.627 -2.986 457 1HG1 ILE 68 HG12 ILE 68 72.958 5.567 -4.446 458 2HG1 ILE 68 HG11 ILE 68 71.269 5.083 -4.278 459 1HG2 ILE 68 HG21 ILE 68 73.818 2.402 -4.880 460 2HG2 ILE 68 HG22 ILE 68 72.889 3.669 -5.681 461 3HG2 ILE 68 HG23 ILE 68 72.071 2.238 -5.052 462 1HD1 ILE 68 HD1 ILE 68 72.398 6.876 -2.638 463 2HD1 ILE 68 HD1 ILE 68 72.846 5.407 -1.770 464 3HD1 ILE 68 HD1 ILE 68 71.147 5.761 -2.085 465 H ILE 69 HN ILE 69 69.982 1.017 -2.287 466 HA ILE 69 HA ILE 69 71.992 -1.087 -1.867 467 HB ILE 69 HB ILE 69 68.958 -1.021 -1.849 468 1HG1 ILE 69 HG12 ILE 69 70.726 -1.098 0.578 469 2HG1 ILE 69 HG11 ILE 69 70.451 0.441 -0.237 470 1HG2 ILE 69 HG21 ILE 69 69.186 -3.069 -0.458 471 2HG2 ILE 69 HG22 ILE 69 70.923 -3.056 -0.757 472 3HG2 ILE 69 HG23 ILE 69 69.800 -3.308 -2.094 473 1HD1 ILE 69 HD1 ILE 69 67.925 -0.251 -0.124 474 2HD1 ILE 69 HD1 ILE 69 68.706 0.397 1.317 475 3HD1 ILE 69 HD1 ILE 69 68.468 -1.342 1.151 476 H THR 70 HN THR 70 71.804 -3.184 -3.062 477 HA THR 70 HA THR 70 70.413 -3.167 -5.668 478 HB THR 70 HB THR 70 73.422 -3.029 -5.337 479 HG1 THR 70 HG1 THR 70 71.469 -1.433 -6.619 480 1HG2 THR 70 HG21 THR 70 73.733 -3.927 -7.395 481 2HG2 THR 70 HG22 THR 70 72.311 -3.126 -8.062 482 3HG2 THR 70 HG23 THR 70 72.135 -4.632 -7.162 483 H GLY 71 HN GLY 71 69.452 -5.167 -4.974 484 1HA GLY 71 HA2 GLY 71 69.496 -7.550 -5.218 485 2HA GLY 71 HA1 GLY 71 71.261 -7.490 -5.212 486 H GLY 72 HN GLY 72 69.323 -5.842 -2.802 487 1HA GLY 72 HA2 GLY 72 68.921 -6.397 -0.534 488 2HA GLY 72 HA1 GLY 72 69.637 -7.983 -0.827 489 H VAL 73 HN VAL 73 71.504 -5.375 -1.974 490 HA VAL 73 HA VAL 73 73.266 -5.483 0.464 491 HB VAL 73 HB VAL 73 75.137 -5.585 -1.096 492 1HG1 VAL 73 HG11 VAL 73 74.843 -7.787 -1.758 493 2HG1 VAL 73 HG12 VAL 73 73.215 -7.496 -2.367 494 3HG1 VAL 73 HG13 VAL 73 73.493 -7.641 -0.632 495 1HG2 VAL 73 HG21 VAL 73 73.000 -4.737 -2.975 496 2HG2 VAL 73 HG22 VAL 73 74.154 -5.908 -3.621 497 3HG2 VAL 73 HG23 VAL 73 74.725 -4.365 -2.989 498 HA PRO 74 HA PRO 74 72.684 -1.054 0.017 499 1HB PRO 74 HB2 PRO 74 74.112 -0.352 2.240 500 2HB PRO 74 HB1 PRO 74 72.447 -0.958 2.314 501 1HG PRO 74 HG2 PRO 74 75.005 -2.368 2.859 502 2HG PRO 74 HG1 PRO 74 73.430 -2.542 3.647 503 1HD PRO 74 HD2 PRO 74 74.432 -4.297 1.787 504 2HD PRO 74 HD1 PRO 74 72.702 -4.079 2.126 505 H ALA 75 HN ALA 75 73.958 0.482 -0.992 506 HA ALA 75 HA ALA 75 76.645 -0.212 -1.859 507 1HB ALA 75 HB1 ALA 75 74.688 2.041 -2.124 508 2HB ALA 75 HB2 ALA 75 75.469 1.091 -3.390 509 3HB ALA 75 HB3 ALA 75 76.370 2.354 -2.552 510 HA PRO 76 HA PRO 76 78.978 1.678 1.352 511 1HB PRO 76 HB2 PRO 76 81.002 2.904 -0.032 512 2HB PRO 76 HB1 PRO 76 80.902 1.143 0.177 513 1HG PRO 76 HG2 PRO 76 80.144 2.818 -2.167 514 2HG PRO 76 HG1 PRO 76 80.939 1.235 -2.120 515 1HD PRO 76 HD2 PRO 76 78.296 1.559 -2.685 516 2HD PRO 76 HD1 PRO 76 78.955 0.099 -1.913 517 H SER 77 HN SER 77 76.788 3.188 1.097 518 HA SER 77 HA SER 77 77.488 5.972 0.360 519 1HB SER 77 HB2 SER 77 75.052 4.357 0.980 520 2HB SER 77 HB1 SER 77 74.961 6.095 1.245 521 HG SER 77 HG SER 77 74.722 4.819 -1.024 522 H ALA 78 HN ALA 78 78.407 7.261 1.907 523 HA ALA 78 HA ALA 78 78.414 6.564 4.735 524 1HB ALA 78 HB1 ALA 78 79.427 9.026 4.681 525 2HB ALA 78 HB2 ALA 78 79.462 8.719 2.943 526 3HB ALA 78 HB3 ALA 78 80.339 7.656 4.044 527 H ALA 79 HN ALA 79 75.979 7.871 2.889 528 HA ALA 79 HA ALA 79 75.050 9.715 5.061 529 1HB ALA 79 HB1 ALA 79 75.251 9.956 2.286 530 2HB ALA 79 HB2 ALA 79 74.332 11.020 3.351 531 3HB ALA 79 HB3 ALA 79 73.535 9.660 2.562 532 H CYS 80 HN CYS 80 74.463 6.674 3.553 533 HA CYS 80 HA CYS 80 71.635 6.441 4.042 534 1HB CYS 80 HB2 CYS 80 72.645 5.035 2.428 535 2HB CYS 80 HB1 CYS 80 73.936 4.565 3.522 536 H LYS 81 HN LYS 81 70.714 4.857 5.604 537 HA LYS 81 HA LYS 81 71.329 5.486 8.299 538 1HB LYS 81 HB2 LYS 81 69.867 3.340 8.656 539 2HB LYS 81 HB1 LYS 81 69.153 4.745 7.868 540 1HG LYS 81 HG2 LYS 81 68.926 3.660 5.887 541 2HG LYS 81 HG1 LYS 81 70.515 2.919 6.006 542 1HD LYS 81 HD2 LYS 81 68.905 1.757 8.046 543 2HD LYS 81 HD1 LYS 81 67.965 1.737 6.557 544 1HE LYS 81 HE2 LYS 81 70.686 0.984 5.966 545 2HE LYS 81 HE1 LYS 81 70.034 -0.047 7.257 546 1HZ LYS 81 HZ1 LYS 81 69.189 -1.053 5.374 547 2HZ LYS 81 HZ2 LYS 81 68.981 0.415 4.544 548 3HZ LYS 81 HZ3 LYS 81 67.917 -0.015 5.799 549 H ILE 82 HN ILE 82 71.423 2.068 7.297 550 HA ILE 82 HA ILE 82 73.046 0.405 7.686 551 HB ILE 82 HB ILE 82 74.859 2.680 8.548 552 1HG1 ILE 82 HG12 ILE 82 74.124 3.459 6.438 553 2HG1 ILE 82 HG11 ILE 82 75.582 2.549 6.051 554 1HG2 ILE 82 HG21 ILE 82 75.127 -0.170 7.946 555 2HG2 ILE 82 HG22 ILE 82 76.216 0.902 8.826 556 3HG2 ILE 82 HG23 ILE 82 76.278 0.834 7.065 557 1HD1 ILE 82 HD1 ILE 82 74.009 0.531 5.692 558 2HD1 ILE 82 HD1 ILE 82 73.984 1.798 4.465 559 3HD1 ILE 82 HD1 ILE 82 72.702 1.715 5.673 560 H SER 83 HN SER 83 71.113 1.443 9.634 561 HA SER 83 HA SER 83 72.598 1.055 12.205 562 1HB SER 83 HB2 SER 83 70.039 2.460 11.420 563 2HB SER 83 HB1 SER 83 70.478 2.176 13.102 564 HG SER 83 HG SER 83 72.622 3.152 11.999 565 H GLY 84 HN GLY 84 69.109 0.707 11.706 566 1HA GLY 84 HA2 GLY 84 69.386 -2.142 12.587 567 2HA GLY 84 HA1 GLY 84 68.054 -1.099 13.080 568 H CYS 85 HN CYS 85 69.437 -2.857 10.340 569 HA CYS 85 HA CYS 85 66.867 -3.612 9.316 570 1HB CYS 85 HB2 CYS 85 67.029 -1.070 8.889 571 2HB CYS 85 HB1 CYS 85 68.235 -1.478 7.671 572 H THR 86 HN THR 86 67.152 -4.455 6.957 573 HA THR 86 HA THR 86 69.829 -5.053 6.001 574 HB THR 86 HB THR 86 69.692 -6.507 7.999 575 HG1 THR 86 HG1 THR 86 70.697 -7.301 6.083 576 1HG2 THR 86 HG21 THR 86 67.775 -7.539 8.585 577 2HG2 THR 86 HG22 THR 86 67.642 -8.304 7.003 578 3HG2 THR 86 HG23 THR 86 66.992 -6.685 7.255 579 H PHE 87 HN PHE 87 69.615 -6.668 4.124 580 HA PHE 87 HA PHE 87 66.840 -6.571 2.985 581 1HB PHE 87 HB2 PHE 87 69.316 -6.470 1.282 582 2HB PHE 87 HB1 PHE 87 67.711 -5.831 0.939 583 HD1 PHE 87 HD1 PHE 87 70.824 -4.708 1.271 584 HD2 PHE 87 HD2 PHE 87 67.051 -4.227 3.266 585 HE1 PHE 87 HE1 PHE 87 71.549 -2.506 2.117 586 HE2 PHE 87 HE2 PHE 87 67.781 -2.010 4.114 587 HZ PHE 87 HZ PHE 87 70.035 -1.148 3.535 588 H SER 88 HN SER 88 66.375 -8.358 1.518 589 HA SER 88 HA SER 88 68.230 -10.692 1.832 590 1HB SER 88 HB2 SER 88 65.282 -10.357 2.319 591 2HB SER 88 HB1 SER 88 65.902 -11.934 1.843 592 HG SER 88 HG SER 88 67.158 -10.469 3.890 593 H ALA 89 HN ALA 89 67.507 -8.610 -0.355 594 HA ALA 89 HA ALA 89 67.202 -8.623 -2.693 595 1HB ALA 89 HB1 ALA 89 67.809 -11.495 -2.893 596 2HB ALA 89 HB2 ALA 89 68.949 -10.604 -1.882 597 3HB ALA 89 HB3 ALA 89 68.688 -10.117 -3.556 598 H ASN 90 HN ASN 90 64.781 -8.706 -1.629 599 HA ASN 90 HA ASN 90 63.072 -10.862 -1.707 600 1HB ASN 90 HB2 ASN 90 61.464 -9.212 -1.682 601 2HB ASN 90 HB1 ASN 90 62.868 -8.167 -1.489 602 1HD2 ASN 90 HD2 ASN 90 63.870 -7.446 -3.730 603 2HD2 ASN 90 HD2 ASN 90 62.754 -7.039 -4.942 Start of MODEL 19 1 1H ASP 1 HT1 ASP 1 45.434 6.232 3.556 2 2H ASP 1 HT2 ASP 1 45.075 7.382 2.358 3 3H ASP 1 HT3 ASP 1 45.494 7.887 3.926 4 HA ASP 1 HA ASP 1 47.341 8.146 2.306 5 1HB ASP 1 HB2 ASP 1 47.597 6.185 4.609 6 2HB ASP 1 HB1 ASP 1 48.942 7.075 3.895 7 H GLY 2 HN GLY 2 46.647 4.730 3.148 8 1HA GLY 2 HA2 GLY 2 48.396 3.713 1.063 9 2HA GLY 2 HA1 GLY 2 47.268 2.754 2.023 10 H SER 3 HN SER 3 46.072 1.671 0.500 11 HA SER 3 HA SER 3 44.510 1.365 -1.250 12 1HB SER 3 HB2 SER 3 44.139 4.082 -0.135 13 2HB SER 3 HB1 SER 3 43.436 3.830 -1.729 14 HG SER 3 HG SER 3 42.801 2.690 0.726 15 H CYS 4 HN CYS 4 47.388 2.694 -1.642 16 HA CYS 4 HA CYS 4 47.026 3.986 -4.270 17 1HB CYS 4 HB2 CYS 4 49.617 3.183 -2.926 18 2HB CYS 4 HB1 CYS 4 49.333 4.532 -4.023 19 H THR 5 HN THR 5 48.889 3.081 -5.917 20 HA THR 5 HA THR 5 48.616 0.094 -5.985 21 HB THR 5 HB THR 5 48.269 2.148 -8.189 22 HG1 THR 5 HG1 THR 5 46.520 1.567 -6.683 23 1HG2 THR 5 HG21 THR 5 47.687 -0.062 -9.484 24 2HG2 THR 5 HG22 THR 5 48.707 -0.827 -8.266 25 3HG2 THR 5 HG23 THR 5 49.374 0.421 -9.318 26 H ASN 6 HN ASN 6 50.731 2.624 -5.758 27 HA ASN 6 HA ASN 6 52.991 2.967 -6.450 28 1HB ASN 6 HB2 ASN 6 54.277 0.927 -5.751 29 2HB ASN 6 HB1 ASN 6 53.058 1.410 -4.573 30 1HD2 ASN 6 HD2 ASN 6 51.316 -0.043 -4.164 31 2HD2 ASN 6 HD2 ASN 6 51.176 -1.559 -4.914 32 H THR 7 HN THR 7 51.959 3.048 -8.818 33 HA THR 7 HA THR 7 52.447 2.583 -11.096 34 HB THR 7 HB THR 7 54.294 0.385 -10.224 35 HG1 THR 7 HG1 THR 7 55.342 2.922 -10.111 36 1HG2 THR 7 HG21 THR 7 53.939 1.240 -12.622 37 2HG2 THR 7 HG22 THR 7 55.605 1.128 -12.054 38 3HG2 THR 7 HG23 THR 7 54.793 2.693 -12.103 39 H ASN 8 HN ASN 8 52.617 -0.472 -9.219 40 HA ASN 8 HA ASN 8 50.103 -1.523 -9.916 41 1HB ASN 8 HB2 ASN 8 51.933 -1.310 -12.114 42 2HB ASN 8 HB1 ASN 8 51.666 -3.017 -11.773 43 1HD2 ASN 8 HD2 ASN 8 50.456 -0.591 -13.652 44 2HD2 ASN 8 HD2 ASN 8 48.835 -1.086 -13.758 45 H SER 9 HN SER 9 50.747 -2.235 -7.692 46 HA SER 9 HA SER 9 51.771 -4.970 -7.714 47 1HB SER 9 HB2 SER 9 53.629 -2.917 -7.634 48 2HB SER 9 HB1 SER 9 53.429 -3.324 -5.934 49 HG SER 9 HG SER 9 54.576 -5.029 -6.331 50 H GLN 10 HN GLN 10 52.666 -4.619 -4.846 51 HA GLN 10 HA GLN 10 49.928 -4.511 -3.650 52 1HB GLN 10 HB2 GLN 10 52.346 -6.135 -3.366 53 2HB GLN 10 HB1 GLN 10 51.727 -5.580 -1.810 54 1HG GLN 10 HG2 GLN 10 50.048 -7.070 -1.901 55 2HG GLN 10 HG1 GLN 10 49.526 -6.428 -3.460 56 1HE2 GLN 10 HE21 GLN 10 51.930 -7.057 -4.953 57 2HE2 GLN 10 HE22 GLN 10 52.029 -8.746 -5.084 58 H LEU 11 HN LEU 11 49.964 -3.727 -1.292 59 HA LEU 11 HA LEU 11 52.017 -1.991 -0.304 60 1HB LEU 11 HB2 LEU 11 51.183 -0.803 -2.412 61 2HB LEU 11 HB1 LEU 11 49.656 -0.567 -1.564 62 HG LEU 11 HG LEU 11 50.679 0.775 0.119 63 1HD1 LEU 11 HD1 LEU 11 52.663 -0.352 0.687 64 2HD1 LEU 11 HD1 LEU 11 53.256 1.128 -0.069 65 3HD1 LEU 11 HD1 LEU 11 53.233 -0.381 -0.982 66 1HD2 LEU 11 HD2 LEU 11 51.316 2.630 -1.139 67 2HD2 LEU 11 HD2 LEU 11 50.518 1.654 -2.372 68 3HD2 LEU 11 HD2 LEU 11 52.278 1.666 -2.259 69 H SER 12 HN SER 12 51.393 -3.045 1.653 70 HA SER 12 HA SER 12 48.943 -3.527 2.793 71 1HB SER 12 HB2 SER 12 50.464 -4.040 4.384 72 2HB SER 12 HB1 SER 12 51.652 -2.966 3.649 73 HG SER 12 HG SER 12 50.533 -2.599 5.915 74 H ALA 13 HN ALA 13 47.347 -2.322 3.899 75 HA ALA 13 HA ALA 13 46.802 0.337 3.042 76 1HB ALA 13 HB1 ALA 13 45.614 -1.731 4.554 77 2HB ALA 13 HB2 ALA 13 44.849 -0.232 4.029 78 3HB ALA 13 HB3 ALA 13 45.627 -0.317 5.609 79 H ASN 14 HN ASN 14 48.989 -0.815 5.418 80 HA ASN 14 HA ASN 14 48.968 1.701 6.986 81 1HB ASN 14 HB2 ASN 14 49.224 -0.168 8.356 82 2HB ASN 14 HB1 ASN 14 50.166 -1.045 7.153 83 1HD2 ASN 14 HD2 ASN 14 52.436 -0.056 6.722 84 2HD2 ASN 14 HD2 ASN 14 53.260 0.584 8.060 85 H SER 15 HN SER 15 50.388 0.574 4.141 86 HA SER 15 HA SER 15 53.076 1.583 4.397 87 1HB SER 15 HB2 SER 15 53.177 0.610 2.348 88 2HB SER 15 HB1 SER 15 51.486 0.173 2.577 89 HG SER 15 HG SER 15 50.944 2.207 1.648 90 H LYS 16 HN LYS 16 53.527 3.336 2.385 91 HA LYS 16 HA LYS 16 51.645 5.626 2.672 92 1HB LYS 16 HB2 LYS 16 53.728 5.351 4.377 93 2HB LYS 16 HB1 LYS 16 54.542 6.193 3.058 94 1HG LYS 16 HG2 LYS 16 52.332 7.703 3.185 95 2HG LYS 16 HG1 LYS 16 52.363 7.145 4.858 96 1HD LYS 16 HD2 LYS 16 54.659 7.956 5.118 97 2HD LYS 16 HD1 LYS 16 54.696 8.448 3.425 98 1HE LYS 16 HE2 LYS 16 54.045 10.478 4.288 99 2HE LYS 16 HE1 LYS 16 52.434 9.732 4.278 100 1HZ LYS 16 HZ1 LYS 16 54.352 9.417 6.519 101 2HZ LYS 16 HZ2 LYS 16 52.705 8.998 6.495 102 3HZ LYS 16 HZ3 LYS 16 53.170 10.632 6.488 103 H CYS 17 HN CYS 17 51.281 6.194 0.556 104 HA CYS 17 HA CYS 17 53.557 5.989 -1.382 105 1HB CYS 17 HB2 CYS 17 51.865 5.610 -3.044 106 2HB CYS 17 HB1 CYS 17 51.410 4.631 -1.652 107 H GLU 18 HN GLU 18 52.531 7.650 -3.379 108 HA GLU 18 HA GLU 18 52.259 9.923 -3.999 109 1HB GLU 18 HB2 GLU 18 50.495 9.651 -2.119 110 2HB GLU 18 HB1 GLU 18 51.673 10.462 -1.086 111 1HG GLU 18 HG2 GLU 18 50.154 12.125 -2.021 112 2HG GLU 18 HG1 GLU 18 51.759 12.345 -2.720 113 H LYS 19 HN LYS 19 53.840 11.484 -4.258 114 HA LYS 19 HA LYS 19 55.822 12.714 -3.851 115 1HB LYS 19 HB2 LYS 19 54.477 12.259 -1.309 116 2HB LYS 19 HB1 LYS 19 56.226 12.342 -1.094 117 1HG LYS 19 HG2 LYS 19 55.526 14.389 -2.933 118 2HG LYS 19 HG1 LYS 19 54.382 14.489 -1.594 119 1HD LYS 19 HD2 LYS 19 55.962 15.298 -0.203 120 2HD LYS 19 HD1 LYS 19 57.082 14.002 -0.630 121 1HE LYS 19 HE2 LYS 19 58.290 15.732 -1.550 122 2HE LYS 19 HE1 LYS 19 57.168 15.519 -2.908 123 1HZ LYS 19 HZ1 LYS 19 55.900 17.280 -2.274 124 2HZ LYS 19 HZ2 LYS 19 57.391 17.821 -1.663 125 3HZ LYS 19 HZ3 LYS 19 56.255 17.100 -0.624 126 H SER 20 HN SER 20 55.991 9.950 -4.620 127 HA SER 20 HA SER 20 58.729 9.356 -3.725 128 1HB SER 20 HB2 SER 20 56.990 8.476 -2.016 129 2HB SER 20 HB1 SER 20 56.562 7.301 -3.257 130 HG SER 20 HG SER 20 59.217 7.741 -2.364 131 H THR 21 HN THR 21 59.508 7.308 -4.925 132 HA THR 21 HA THR 21 58.194 7.224 -7.615 133 HB THR 21 HB THR 21 60.999 6.639 -6.617 134 HG1 THR 21 HG1 THR 21 61.315 8.620 -7.174 135 1HG2 THR 21 HG21 THR 21 61.568 6.302 -9.004 136 2HG2 THR 21 HG22 THR 21 59.859 6.440 -9.418 137 3HG2 THR 21 HG23 THR 21 60.421 5.090 -8.432 138 H LEU 22 HN LEU 22 56.741 5.509 -7.520 139 HA LEU 22 HA LEU 22 57.616 2.978 -6.213 140 1HB LEU 22 HB2 LEU 22 54.930 3.893 -7.292 141 2HB LEU 22 HB1 LEU 22 55.214 2.457 -6.310 142 HG LEU 22 HG LEU 22 54.470 4.065 -4.749 143 1HD1 LEU 22 HD1 LEU 22 57.459 4.497 -4.647 144 2HD1 LEU 22 HD1 LEU 22 56.726 2.948 -4.234 145 3HD1 LEU 22 HD1 LEU 22 56.327 4.389 -3.300 146 1HD2 LEU 22 HD2 LEU 22 55.048 5.920 -6.614 147 2HD2 LEU 22 HD2 LEU 22 56.419 6.178 -5.535 148 3HD2 LEU 22 HD2 LEU 22 54.773 6.340 -4.922 149 H THR 23 HN THR 23 57.544 0.997 -7.354 150 HA THR 23 HA THR 23 56.794 0.853 -10.177 151 HB THR 23 HB THR 23 59.706 0.524 -9.393 152 HG1 THR 23 HG1 THR 23 59.963 2.579 -9.726 153 1HG2 THR 23 HG21 THR 23 58.633 -0.595 -11.478 154 2HG2 THR 23 HG22 THR 23 60.124 0.320 -11.697 155 3HG2 THR 23 HG23 THR 23 58.575 1.040 -12.136 156 H ASN 24 HN ASN 24 55.546 -0.969 -9.489 157 HA ASN 24 HA ASN 24 55.216 -3.282 -9.095 158 1HB ASN 24 HB2 ASN 24 57.886 -2.924 -10.151 159 2HB ASN 24 HB1 ASN 24 57.885 -4.228 -8.964 160 1HD2 ASN 24 HD2 ASN 24 55.411 -3.162 -11.376 161 2HD2 ASN 24 HD2 ASN 24 55.242 -4.694 -12.088 162 H CYS 25 HN CYS 25 55.650 -1.307 -6.930 163 HA CYS 25 HA CYS 25 57.328 -2.238 -4.838 164 1HB CYS 25 HB2 CYS 25 54.664 -0.795 -4.848 165 2HB CYS 25 HB1 CYS 25 55.700 -0.917 -3.433 166 H TYR 26 HN TYR 26 55.571 -2.584 -2.670 167 HA TYR 26 HA TYR 26 53.610 -4.640 -2.953 168 1HB TYR 26 HB2 TYR 26 55.858 -5.712 -3.720 169 2HB TYR 26 HB1 TYR 26 56.287 -5.678 -2.010 170 HD1 TYR 26 HD1 TYR 26 54.135 -6.441 -0.460 171 HD2 TYR 26 HD2 TYR 26 55.004 -7.742 -4.460 172 HE1 TYR 26 HE1 TYR 26 52.800 -8.497 -0.082 173 HE2 TYR 26 HE2 TYR 26 53.669 -9.796 -4.083 174 HH TYR 26 HH TYR 26 52.947 -11.042 -1.355 175 H VAL 27 HN VAL 27 56.330 -3.507 -0.997 176 HA VAL 27 HA VAL 27 56.509 -3.182 1.355 177 HB VAL 27 HB VAL 27 53.833 -1.854 0.971 178 1HG1 VAL 27 HG11 VAL 27 55.777 -0.056 1.882 179 2HG1 VAL 27 HG12 VAL 27 56.168 -1.576 2.687 180 3HG1 VAL 27 HG13 VAL 27 54.562 -0.871 2.867 181 1HG2 VAL 27 HG21 VAL 27 56.427 -1.201 -0.452 182 2HG2 VAL 27 HG22 VAL 27 55.168 0.009 -0.190 183 3HG2 VAL 27 HG23 VAL 27 54.825 -1.425 -1.160 184 H ASP 28 HN ASP 28 54.447 -2.799 3.232 185 HA ASP 28 HA ASP 28 52.420 -4.754 3.406 186 1HB ASP 28 HB2 ASP 28 55.134 -5.745 3.559 187 2HB ASP 28 HB1 ASP 28 54.318 -6.024 5.098 188 H LYS 29 HN LYS 29 54.996 -2.983 4.998 189 HA LYS 29 HA LYS 29 53.196 -1.766 6.923 190 1HB LYS 29 HB2 LYS 29 54.563 -4.270 7.536 191 2HB LYS 29 HB1 LYS 29 55.029 -2.992 8.658 192 1HG LYS 29 HG2 LYS 29 52.758 -2.579 9.285 193 2HG LYS 29 HG1 LYS 29 52.144 -3.569 7.961 194 1HD LYS 29 HD2 LYS 29 53.931 -4.743 10.089 195 2HD LYS 29 HD1 LYS 29 52.186 -4.626 10.322 196 1HE LYS 29 HE2 LYS 29 52.076 -5.757 7.939 197 2HE LYS 29 HE1 LYS 29 53.718 -6.297 8.350 198 1HZ LYS 29 HZ1 LYS 29 52.853 -7.068 10.498 199 2HZ LYS 29 HZ2 LYS 29 52.119 -7.875 9.194 200 3HZ LYS 29 HZ3 LYS 29 51.283 -6.646 10.018 201 H SER 30 HN SER 30 54.861 -0.587 5.077 202 HA SER 30 HA SER 30 57.133 0.440 6.748 203 1HB SER 30 HB2 SER 30 56.917 -0.280 3.820 204 2HB SER 30 HB1 SER 30 58.230 0.714 4.443 205 HG SER 30 HG SER 30 57.541 -1.774 5.596 206 H GLU 31 HN GLU 31 57.952 2.495 5.148 207 HA GLU 31 HA GLU 31 55.527 4.240 4.816 208 1HB GLU 31 HB2 GLU 31 57.504 4.348 6.788 209 2HB GLU 31 HB1 GLU 31 57.980 5.598 5.639 210 1HG GLU 31 HG2 GLU 31 55.863 6.702 5.825 211 2HG GLU 31 HG1 GLU 31 55.160 5.345 6.707 212 H VAL 32 HN VAL 32 59.061 4.474 4.260 213 HA VAL 32 HA VAL 32 60.267 4.949 2.283 214 HB VAL 32 HB VAL 32 57.645 4.490 0.840 215 1HG1 VAL 32 HG11 VAL 32 59.336 3.388 -0.760 216 2HG1 VAL 32 HG12 VAL 32 60.578 4.196 0.198 217 3HG1 VAL 32 HG13 VAL 32 59.359 5.149 -0.651 218 1HG2 VAL 32 HG21 VAL 32 58.678 2.698 2.693 219 2HG2 VAL 32 HG22 VAL 32 59.401 2.156 1.182 220 3HG2 VAL 32 HG23 VAL 32 57.648 2.269 1.329 221 H TYR 33 HN TYR 33 60.663 6.846 1.041 222 HA TYR 33 HA TYR 33 58.503 8.922 1.054 223 1HB TYR 33 HB2 TYR 33 61.320 9.002 2.105 224 2HB TYR 33 HB1 TYR 33 60.562 10.484 1.530 225 HD1 TYR 33 HD1 TYR 33 60.279 7.716 3.991 226 HD2 TYR 33 HD2 TYR 33 58.814 11.563 2.759 227 HE1 TYR 33 HE1 TYR 33 59.046 7.934 6.132 228 HE2 TYR 33 HE2 TYR 33 57.582 11.779 4.900 229 HH TYR 33 HH TYR 33 57.308 9.111 7.140 230 H GLY 34 HN GLY 34 61.798 8.202 -0.198 231 1HA GLY 34 HA2 GLY 34 60.860 9.170 -2.862 232 2HA GLY 34 HA1 GLY 34 62.381 9.766 -2.202 233 H THR 35 HN THR 35 61.197 6.455 -1.864 234 HA THR 35 HA THR 35 63.709 5.421 -2.996 235 HB THR 35 HB THR 35 61.202 4.274 -1.754 236 HG1 THR 35 HG1 THR 35 62.421 4.715 -0.111 237 1HG2 THR 35 HG21 THR 35 61.653 2.452 -3.058 238 2HG2 THR 35 HG22 THR 35 62.851 2.151 -1.799 239 3HG2 THR 35 HG23 THR 35 63.335 2.918 -3.312 240 H THR 36 HN THR 36 63.932 4.570 -5.063 241 HA THR 36 HA THR 36 61.939 5.117 -7.075 242 HB THR 36 HB THR 36 64.335 3.261 -7.159 243 HG1 THR 36 HG1 THR 36 65.542 4.987 -7.227 244 1HG2 THR 36 HG21 THR 36 62.403 3.844 -9.083 245 2HG2 THR 36 HG22 THR 36 63.998 3.160 -9.388 246 3HG2 THR 36 HG23 THR 36 63.751 4.902 -9.497 247 H CYS 37 HN CYS 37 62.243 2.580 -4.836 248 HA CYS 37 HA CYS 37 61.279 0.417 -4.702 249 1HB CYS 37 HB2 CYS 37 59.452 2.270 -4.691 250 2HB CYS 37 HB1 CYS 37 59.086 1.709 -6.320 251 H THR 38 HN THR 38 63.100 0.401 -6.804 252 HA THR 38 HA THR 38 61.973 -0.317 -9.356 253 HB THR 38 HB THR 38 64.617 -0.973 -8.013 254 HG1 THR 38 HG1 THR 38 65.005 1.033 -8.412 255 1HG2 THR 38 HG21 THR 38 65.207 -2.090 -9.873 256 2HG2 THR 38 HG22 THR 38 64.678 -0.754 -10.896 257 3HG2 THR 38 HG23 THR 38 63.526 -1.994 -10.397 258 H GLY 39 HN GLY 39 60.259 -1.746 -8.075 259 1HA GLY 39 HA2 GLY 39 59.405 -3.923 -7.851 260 2HA GLY 39 HA1 GLY 39 60.864 -4.506 -8.654 261 H SER 40 HN SER 40 59.697 -3.298 -5.507 262 HA SER 40 HA SER 40 61.454 -5.294 -4.169 263 1HB SER 40 HB2 SER 40 61.488 -2.666 -2.877 264 2HB SER 40 HB1 SER 40 62.835 -3.719 -3.296 265 HG SER 40 HG SER 40 61.957 -1.523 -4.544 266 H ARG 41 HN ARG 41 60.777 -5.672 -1.919 267 HA ARG 41 HA ARG 41 58.042 -4.622 -1.277 268 1HB ARG 41 HB2 ARG 41 57.747 -6.827 -2.152 269 2HB ARG 41 HB1 ARG 41 59.146 -7.439 -1.270 270 1HG ARG 41 HG2 ARG 41 58.005 -7.159 0.853 271 2HG ARG 41 HG1 ARG 41 56.642 -6.368 0.060 272 1HD ARG 41 HD2 ARG 41 55.691 -8.418 -0.149 273 2HD ARG 41 HD1 ARG 41 56.986 -8.829 -1.292 274 HE ARG 41 HE ARG 41 57.754 -9.018 1.536 275 1HH1 ARG 41 HH2 ARG 41 55.693 -10.706 -0.532 276 2HH1 ARG 41 HH2 ARG 41 56.485 -12.235 -0.348 277 1HH2 ARG 41 HH1 ARG 41 59.140 -10.943 1.468 278 2HH2 ARG 41 HH1 ARG 41 58.435 -12.370 0.785 279 H PHE 42 HN PHE 42 57.548 -4.733 1.060 280 HA PHE 42 HA PHE 42 59.978 -4.922 2.806 281 1HB PHE 42 HB2 PHE 42 57.800 -2.837 3.082 282 2HB PHE 42 HB1 PHE 42 59.409 -2.830 3.806 283 HD1 PHE 42 HD1 PHE 42 57.585 -1.186 1.462 284 HD2 PHE 42 HD2 PHE 42 61.279 -3.354 1.750 285 HE1 PHE 42 HE1 PHE 42 58.453 0.042 -0.505 286 HE2 PHE 42 HE2 PHE 42 62.151 -2.124 -0.220 287 HZ PHE 42 HZ PHE 42 60.734 -0.429 -1.346 288 H ASP 43 HN ASP 43 58.826 -4.461 5.235 289 HA ASP 43 HA ASP 43 56.267 -5.735 5.648 290 1HB ASP 43 HB2 ASP 43 58.390 -7.438 4.997 291 2HB ASP 43 HB1 ASP 43 58.256 -7.564 6.752 292 H GLY 44 HN GLY 44 57.316 -3.402 6.682 293 1HA GLY 44 HA2 GLY 44 56.864 -2.746 9.046 294 2HA GLY 44 HA1 GLY 44 57.813 -4.151 9.530 295 H VAL 45 HN VAL 45 58.289 -1.314 7.365 296 HA VAL 45 HA VAL 45 60.898 -0.888 8.770 297 HB VAL 45 HB VAL 45 62.083 -0.938 6.767 298 1HG1 VAL 45 HG11 VAL 45 61.288 -2.824 5.398 299 2HG1 VAL 45 HG12 VAL 45 59.698 -2.701 6.152 300 3HG1 VAL 45 HG13 VAL 45 61.099 -3.170 7.117 301 1HG2 VAL 45 HG21 VAL 45 61.281 0.554 5.250 302 2HG2 VAL 45 HG22 VAL 45 59.602 0.222 5.667 303 3HG2 VAL 45 HG23 VAL 45 60.460 -0.846 4.560 304 H THR 46 HN THR 46 61.773 1.298 7.412 305 HA THR 46 HA THR 46 59.622 3.303 7.175 306 HB THR 46 HB THR 46 61.790 3.462 9.298 307 HG1 THR 46 HG1 THR 46 59.026 2.867 9.418 308 1HG2 THR 46 HG21 THR 46 59.514 5.275 8.486 309 2HG2 THR 46 HG22 THR 46 61.230 5.666 8.593 310 3HG2 THR 46 HG23 THR 46 60.294 5.392 10.063 311 H ILE 47 HN ILE 47 61.178 2.564 5.115 312 HA ILE 47 HA ILE 47 63.714 3.993 4.987 313 HB ILE 47 HB ILE 47 63.353 1.930 3.761 314 1HG1 ILE 47 HG12 ILE 47 63.266 4.158 1.711 315 2HG1 ILE 47 HG11 ILE 47 64.686 3.849 2.709 316 1HG2 ILE 47 HG21 ILE 47 61.297 1.474 2.965 317 2HG2 ILE 47 HG22 ILE 47 61.537 2.699 1.720 318 3HG2 ILE 47 HG23 ILE 47 60.788 3.137 3.255 319 1HD1 ILE 47 HD1 ILE 47 63.375 1.688 1.048 320 2HD1 ILE 47 HD1 ILE 47 64.971 1.659 1.800 321 3HD1 ILE 47 HD1 ILE 47 64.665 2.714 0.420 322 H THR 48 HN THR 48 64.062 5.565 3.135 323 HA THR 48 HA THR 48 61.688 7.283 2.585 324 HB THR 48 HB THR 48 63.156 9.245 3.189 325 HG1 THR 48 HG1 THR 48 65.182 8.689 3.236 326 1HG2 THR 48 HG21 THR 48 63.348 8.142 5.748 327 2HG2 THR 48 HG22 THR 48 62.021 7.262 4.989 328 3HG2 THR 48 HG23 THR 48 61.968 9.021 5.089 329 H THR 49 HN THR 49 64.100 9.143 1.599 330 HA THR 49 HA THR 49 63.955 8.441 -1.168 331 HB THR 49 HB THR 49 65.957 10.013 0.485 332 HG1 THR 49 HG1 THR 49 64.227 11.190 -1.328 333 1HG2 THR 49 HG21 THR 49 65.618 9.890 -2.524 334 2HG2 THR 49 HG22 THR 49 66.989 9.254 -1.614 335 3HG2 THR 49 HG23 THR 49 66.688 10.992 -1.659 336 H SER 50 HN SER 50 64.932 6.691 -2.163 337 HA SER 50 HA SER 50 67.664 5.905 -1.471 338 1HB SER 50 HB2 SER 50 65.275 4.631 -0.302 339 2HB SER 50 HB1 SER 50 66.430 3.497 -0.997 340 HG SER 50 HG SER 50 67.114 3.862 1.057 341 H THR 51 HN THR 51 68.494 4.316 -2.984 342 HA THR 51 HA THR 51 66.763 4.028 -5.410 343 HB THR 51 HB THR 51 69.744 3.595 -5.284 344 HG1 THR 51 HG1 THR 51 69.654 5.973 -5.906 345 1HG2 THR 51 HG21 THR 51 69.229 3.246 -7.467 346 2HG2 THR 51 HG22 THR 51 69.127 5.005 -7.556 347 3HG2 THR 51 HG23 THR 51 67.665 4.048 -7.321 348 H SER 52 HN SER 52 67.128 2.270 -2.834 349 HA SER 52 HA SER 52 68.360 -0.154 -3.165 350 1HB SER 52 HB2 SER 52 65.531 -0.461 -2.463 351 2HB SER 52 HB1 SER 52 66.963 -0.721 -1.471 352 HG SER 52 HG SER 52 66.309 1.064 -0.553 353 H THR 53 HN THR 53 68.404 -1.658 -4.806 354 HA THR 53 HA THR 53 66.071 -1.733 -6.695 355 HB THR 53 HB THR 53 68.953 -2.561 -7.156 356 HG1 THR 53 HG1 THR 53 67.632 -0.166 -7.898 357 1HG2 THR 53 HG21 THR 53 66.587 -2.999 -8.623 358 2HG2 THR 53 HG22 THR 53 68.244 -3.254 -9.171 359 3HG2 THR 53 HG23 THR 53 67.445 -1.710 -9.467 360 H GLY 54 HN GLY 54 64.821 -3.496 -6.163 361 1HA GLY 54 HA2 GLY 54 64.249 -5.716 -5.658 362 2HA GLY 54 HA1 GLY 54 65.781 -6.160 -6.415 363 H SER 55 HN SER 55 64.262 -5.253 -3.359 364 HA SER 55 HA SER 55 66.251 -6.836 -1.886 365 1HB SER 55 HB2 SER 55 66.955 -4.820 -0.544 366 2HB SER 55 HB1 SER 55 67.458 -4.756 -2.230 367 HG SER 55 HG SER 55 66.245 -3.063 -2.479 368 H ARG 56 HN ARG 56 65.204 -7.710 -0.130 369 HA ARG 56 HA ARG 56 62.498 -6.732 0.551 370 1HB ARG 56 HB2 ARG 56 63.626 -9.190 0.305 371 2HB ARG 56 HB1 ARG 56 63.818 -8.944 2.042 372 1HG ARG 56 HG2 ARG 56 61.243 -8.086 1.657 373 2HG ARG 56 HG1 ARG 56 61.362 -9.383 0.467 374 1HD ARG 56 HD2 ARG 56 62.067 -9.648 3.413 375 2HD ARG 56 HD1 ARG 56 60.603 -10.286 2.641 376 HE ARG 56 HE ARG 56 62.711 -11.246 1.082 377 1HH1 ARG 56 HH2 ARG 56 60.832 -12.191 3.649 378 2HH1 ARG 56 HH2 ARG 56 61.930 -13.381 4.265 379 1HH2 ARG 56 HH1 ARG 56 64.541 -12.431 2.191 380 2HH2 ARG 56 HH1 ARG 56 64.029 -13.517 3.439 381 H ILE 57 HN ILE 57 62.551 -4.955 1.907 382 HA ILE 57 HA ILE 57 64.639 -4.694 3.972 383 HB ILE 57 HB ILE 57 62.210 -2.969 3.425 384 1HG1 ILE 57 HG12 ILE 57 63.340 -3.248 1.309 385 2HG1 ILE 57 HG11 ILE 57 63.814 -1.674 1.953 386 1HG2 ILE 57 HG21 ILE 57 64.132 -1.266 4.121 387 2HG2 ILE 57 HG22 ILE 57 64.790 -2.697 4.914 388 3HG2 ILE 57 HG23 ILE 57 63.183 -2.111 5.345 389 1HD1 ILE 57 HD1 ILE 57 65.418 -4.215 1.807 390 2HD1 ILE 57 HD1 ILE 57 65.802 -2.996 3.023 391 3HD1 ILE 57 HD1 ILE 57 65.875 -2.586 1.309 392 H SER 58 HN SER 58 62.344 -6.796 4.036 393 HA SER 58 HA SER 58 60.377 -6.398 5.927 394 1HB SER 58 HB2 SER 58 62.093 -8.571 5.004 395 2HB SER 58 HB1 SER 58 61.578 -8.810 6.671 396 HG SER 58 HG SER 58 60.183 -9.178 4.455 397 H GLY 59 HN GLY 59 60.280 -6.162 8.207 398 1HA GLY 59 HA2 GLY 59 62.367 -6.738 10.028 399 2HA GLY 59 HA1 GLY 59 62.560 -5.056 9.545 400 HA PRO 60 HA PRO 60 59.070 -5.481 12.656 401 1HB PRO 60 HB2 PRO 60 60.342 -5.806 15.051 402 2HB PRO 60 HB1 PRO 60 59.837 -7.173 14.042 403 1HG PRO 60 HG2 PRO 60 62.525 -6.112 14.540 404 2HG PRO 60 HG1 PRO 60 62.024 -7.722 14.010 405 1HD PRO 60 HD2 PRO 60 63.076 -5.613 12.412 406 2HD PRO 60 HD1 PRO 60 62.487 -7.198 11.870 407 H GLY 61 HN GLY 61 59.845 -3.185 11.607 408 1HA GLY 61 HA2 GLY 61 59.507 -0.922 12.555 409 2HA GLY 61 HA1 GLY 61 60.503 -1.416 13.928 410 H CYS 62 HN CYS 62 61.487 -2.521 10.836 411 HA CYS 62 HA CYS 62 64.107 -1.695 10.833 412 1HB CYS 62 HB2 CYS 62 62.077 -2.507 8.937 413 2HB CYS 62 HB1 CYS 62 63.184 -1.355 8.192 414 H LYS 63 HN LYS 63 65.138 0.046 9.419 415 HA LYS 63 HA LYS 63 63.593 2.532 9.047 416 1HB LYS 63 HB2 LYS 63 64.101 2.665 11.399 417 2HB LYS 63 HB1 LYS 63 65.767 2.154 11.125 418 1HG LYS 63 HG2 LYS 63 65.998 4.249 9.657 419 2HG LYS 63 HG1 LYS 63 64.477 4.781 10.374 420 1HD LYS 63 HD2 LYS 63 66.927 3.984 11.973 421 2HD LYS 63 HD1 LYS 63 66.489 5.650 11.588 422 1HE LYS 63 HE2 LYS 63 64.478 3.836 12.915 423 2HE LYS 63 HE1 LYS 63 65.704 4.678 13.883 424 1HZ LYS 63 HZ1 LYS 63 63.378 5.778 12.971 425 2HZ LYS 63 HZ2 LYS 63 64.536 6.354 11.870 426 3HZ LYS 63 HZ3 LYS 63 64.727 6.638 13.534 427 H ILE 64 HN ILE 64 64.300 3.017 6.992 428 HA ILE 64 HA ILE 64 67.244 2.804 6.431 429 HB ILE 64 HB ILE 64 64.918 2.653 4.499 430 1HG1 ILE 64 HG12 ILE 64 65.157 0.807 6.365 431 2HG1 ILE 64 HG11 ILE 64 64.872 0.330 4.696 432 1HG2 ILE 64 HG21 ILE 64 67.834 1.871 4.233 433 2HG2 ILE 64 HG22 ILE 64 67.078 3.292 3.511 434 3HG2 ILE 64 HG23 ILE 64 66.602 1.677 2.986 435 1HD1 ILE 64 HD1 ILE 64 67.718 0.677 5.405 436 2HD1 ILE 64 HD1 ILE 64 66.936 -0.602 4.476 437 3HD1 ILE 64 HD1 ILE 64 66.904 -0.647 6.239 438 H SER 65 HN SER 65 68.000 4.439 4.800 439 HA SER 65 HA SER 65 66.358 6.770 4.210 440 1HB SER 65 HB2 SER 65 66.698 7.823 6.183 441 2HB SER 65 HB1 SER 65 67.792 6.552 6.720 442 HG SER 65 HG SER 65 68.339 8.929 5.309 443 H THR 66 HN THR 66 67.151 7.112 2.166 444 HA THR 66 HA THR 66 68.704 7.358 0.399 445 HB THR 66 HB THR 66 70.637 8.308 2.487 446 HG1 THR 66 HG1 THR 66 69.380 9.980 2.988 447 1HG2 THR 66 HG21 THR 66 69.760 9.899 0.130 448 2HG2 THR 66 HG22 THR 66 70.659 8.420 -0.205 449 3HG2 THR 66 HG23 THR 66 71.377 9.681 0.801 450 H CYS 67 HN CYS 67 68.752 4.806 0.746 451 HA CYS 67 HA CYS 67 71.607 4.021 1.267 452 1HB CYS 67 HB2 CYS 67 68.963 2.649 1.816 453 2HB CYS 67 HB1 CYS 67 70.495 1.778 1.840 454 H ILE 68 HN ILE 68 72.280 4.110 -0.924 455 HA ILE 68 HA ILE 68 70.728 3.167 -3.144 456 HB ILE 68 HB ILE 68 73.677 3.615 -2.628 457 1HG1 ILE 68 HG12 ILE 68 73.253 5.482 -4.262 458 2HG1 ILE 68 HG11 ILE 68 71.544 5.050 -4.242 459 1HG2 ILE 68 HG21 ILE 68 73.407 3.537 -5.361 460 2HG2 ILE 68 HG22 ILE 68 72.340 2.226 -4.855 461 3HG2 ILE 68 HG23 ILE 68 74.040 2.213 -4.382 462 1HD1 ILE 68 HD1 ILE 68 71.321 5.610 -1.941 463 2HD1 ILE 68 HD1 ILE 68 72.257 6.927 -2.650 464 3HD1 ILE 68 HD1 ILE 68 73.069 5.672 -1.712 465 H ILE 69 HN ILE 69 69.914 1.106 -2.253 466 HA ILE 69 HA ILE 69 71.924 -1.070 -1.994 467 HB ILE 69 HB ILE 69 68.924 -0.980 -1.527 468 1HG1 ILE 69 HG12 ILE 69 70.963 -1.104 0.664 469 2HG1 ILE 69 HG11 ILE 69 70.675 0.452 -0.112 470 1HG2 ILE 69 HG21 ILE 69 70.234 -3.224 -1.957 471 2HG2 ILE 69 HG22 ILE 69 69.096 -3.120 -0.613 472 3HG2 ILE 69 HG23 ILE 69 70.828 -2.963 -0.317 473 1HD1 ILE 69 HD1 ILE 69 68.215 0.128 0.313 474 2HD1 ILE 69 HD1 ILE 69 69.179 0.276 1.783 475 3HD1 ILE 69 HD1 ILE 69 68.620 -1.309 1.251 476 H THR 70 HN THR 70 71.664 -3.030 -3.282 477 HA THR 70 HA THR 70 69.777 -2.963 -5.554 478 HB THR 70 HB THR 70 72.783 -2.695 -5.769 479 HG1 THR 70 HG1 THR 70 71.671 -1.140 -7.433 480 1HG2 THR 70 HG21 THR 70 70.871 -3.296 -8.037 481 2HG2 THR 70 HG22 THR 70 71.866 -4.525 -7.256 482 3HG2 THR 70 HG23 THR 70 72.629 -3.190 -8.118 483 H GLY 71 HN GLY 71 68.954 -4.990 -4.992 484 1HA GLY 71 HA2 GLY 71 69.010 -7.363 -5.318 485 2HA GLY 71 HA1 GLY 71 70.772 -7.282 -5.410 486 H GLY 72 HN GLY 72 68.993 -5.686 -2.852 487 1HA GLY 72 HA2 GLY 72 68.752 -6.258 -0.568 488 2HA GLY 72 HA1 GLY 72 69.369 -7.867 -0.940 489 H VAL 73 HN VAL 73 71.263 -5.288 -2.151 490 HA VAL 73 HA VAL 73 73.210 -5.639 0.111 491 HB VAL 73 HB VAL 73 74.939 -5.611 -1.583 492 1HG1 VAL 73 HG11 VAL 73 74.488 -7.781 -1.975 493 2HG1 VAL 73 HG12 VAL 73 73.351 -7.309 -3.237 494 3HG1 VAL 73 HG13 VAL 73 72.791 -7.510 -1.576 495 1HG2 VAL 73 HG21 VAL 73 73.963 -5.509 -4.055 496 2HG2 VAL 73 HG22 VAL 73 74.349 -4.028 -3.177 497 3HG2 VAL 73 HG23 VAL 73 72.680 -4.591 -3.267 498 HA PRO 74 HA PRO 74 72.773 -1.197 0.261 499 1HB PRO 74 HB2 PRO 74 74.541 -0.793 2.305 500 2HB PRO 74 HB1 PRO 74 72.894 -1.387 2.565 501 1HG PRO 74 HG2 PRO 74 75.461 -2.870 2.556 502 2HG PRO 74 HG1 PRO 74 74.005 -3.140 3.522 503 1HD PRO 74 HD2 PRO 74 74.721 -4.627 1.315 504 2HD PRO 74 HD1 PRO 74 73.069 -4.492 1.953 505 H ALA 75 HN ALA 75 74.053 0.575 -0.458 506 HA ALA 75 HA ALA 75 76.612 -0.176 -1.776 507 1HB ALA 75 HB1 ALA 75 76.192 2.201 -2.738 508 2HB ALA 75 HB2 ALA 75 74.612 2.080 -1.962 509 3HB ALA 75 HB3 ALA 75 75.075 0.921 -3.209 510 HA PRO 76 HA PRO 76 79.099 2.054 1.075 511 1HB PRO 76 HB2 PRO 76 80.917 3.285 -0.565 512 2HB PRO 76 HB1 PRO 76 80.935 1.540 -0.242 513 1HG PRO 76 HG2 PRO 76 79.878 3.014 -2.602 514 2HG PRO 76 HG1 PRO 76 80.758 1.479 -2.532 515 1HD PRO 76 HD2 PRO 76 78.060 1.638 -2.865 516 2HD PRO 76 HD1 PRO 76 78.868 0.264 -2.078 517 H SER 77 HN SER 77 76.798 3.413 0.896 518 HA SER 77 HA SER 77 77.266 6.172 -0.072 519 1HB SER 77 HB2 SER 77 74.956 4.623 1.111 520 2HB SER 77 HB1 SER 77 74.852 6.353 0.799 521 HG SER 77 HG SER 77 74.910 4.211 -0.950 522 H ALA 78 HN ALA 78 77.262 7.992 1.337 523 HA ALA 78 HA ALA 78 78.119 7.407 4.118 524 1HB ALA 78 HB1 ALA 78 79.184 8.996 2.303 525 2HB ALA 78 HB2 ALA 78 79.141 9.510 3.989 526 3HB ALA 78 HB3 ALA 78 77.947 10.127 2.847 527 H ALA 79 HN ALA 79 75.336 8.519 2.378 528 HA ALA 79 HA ALA 79 74.169 9.877 4.742 529 1HB ALA 79 HB1 ALA 79 72.371 10.394 3.087 530 2HB ALA 79 HB2 ALA 79 73.214 9.397 1.901 531 3HB ALA 79 HB3 ALA 79 73.968 10.870 2.510 532 H CYS 80 HN CYS 80 74.282 6.732 3.440 533 HA CYS 80 HA CYS 80 71.577 5.889 4.123 534 1HB CYS 80 HB2 CYS 80 72.855 4.776 2.398 535 2HB CYS 80 HB1 CYS 80 74.176 4.452 3.513 536 H LYS 81 HN LYS 81 71.224 4.153 5.848 537 HA LYS 81 HA LYS 81 72.813 4.865 8.281 538 1HB LYS 81 HB2 LYS 81 70.747 4.285 9.500 539 2HB LYS 81 HB1 LYS 81 70.441 5.502 8.263 540 1HG LYS 81 HG2 LYS 81 68.700 4.069 7.792 541 2HG LYS 81 HG1 LYS 81 69.936 3.320 6.788 542 1HD LYS 81 HD2 LYS 81 70.482 2.032 9.065 543 2HD LYS 81 HD1 LYS 81 68.788 2.399 9.386 544 1HE LYS 81 HE2 LYS 81 68.489 1.487 6.883 545 2HE LYS 81 HE1 LYS 81 69.960 0.596 7.304 546 1HZ LYS 81 HZ1 LYS 81 67.414 -0.046 8.081 547 2HZ LYS 81 HZ2 LYS 81 68.093 0.664 9.466 548 3HZ LYS 81 HZ3 LYS 81 68.848 -0.673 8.734 549 H ILE 82 HN ILE 82 71.194 2.000 6.793 550 HA ILE 82 HA ILE 82 71.583 -0.307 7.214 551 HB ILE 82 HB ILE 82 74.307 1.014 7.301 552 1HG1 ILE 82 HG12 ILE 82 72.925 1.010 5.190 553 2HG1 ILE 82 HG11 ILE 82 74.479 0.198 5.032 554 1HG2 ILE 82 HG21 ILE 82 74.507 -1.746 6.626 555 2HG2 ILE 82 HG22 ILE 82 73.604 -1.641 8.137 556 3HG2 ILE 82 HG23 ILE 82 75.209 -0.921 8.018 557 1HD1 ILE 82 HD1 ILE 82 73.518 -1.850 4.757 558 2HD1 ILE 82 HD1 ILE 82 72.107 -0.906 4.272 559 3HD1 ILE 82 HD1 ILE 82 72.238 -1.517 5.922 560 H SER 83 HN SER 83 70.417 0.200 9.406 561 HA SER 83 HA SER 83 72.314 -0.431 11.643 562 1HB SER 83 HB2 SER 83 71.654 1.869 11.837 563 2HB SER 83 HB1 SER 83 69.973 1.483 11.483 564 HG SER 83 HG SER 83 71.497 0.896 13.794 565 H GLY 84 HN GLY 84 69.031 -0.077 12.528 566 1HA GLY 84 HA2 GLY 84 68.814 -2.914 13.133 567 2HA GLY 84 HA1 GLY 84 67.574 -1.693 13.429 568 H CYS 85 HN CYS 85 69.157 -3.231 10.598 569 HA CYS 85 HA CYS 85 66.585 -4.124 9.554 570 1HB CYS 85 HB2 CYS 85 66.959 -1.516 9.214 571 2HB CYS 85 HB1 CYS 85 67.949 -2.061 7.862 572 H THR 86 HN THR 86 67.080 -4.546 6.975 573 HA THR 86 HA THR 86 69.719 -5.246 6.155 574 HB THR 86 HB THR 86 69.638 -6.776 8.049 575 HG1 THR 86 HG1 THR 86 69.419 -8.830 6.673 576 1HG2 THR 86 HG21 THR 86 67.230 -6.876 8.372 577 2HG2 THR 86 HG22 THR 86 67.842 -8.516 8.152 578 3HG2 THR 86 HG23 THR 86 67.024 -7.693 6.823 579 H PHE 87 HN PHE 87 69.626 -6.607 4.147 580 HA PHE 87 HA PHE 87 66.874 -6.568 2.943 581 1HB PHE 87 HB2 PHE 87 69.386 -6.423 1.309 582 2HB PHE 87 HB1 PHE 87 67.797 -5.745 0.967 583 HD1 PHE 87 HD1 PHE 87 67.315 -4.376 3.647 584 HD2 PHE 87 HD2 PHE 87 70.747 -4.510 1.069 585 HE1 PHE 87 HE1 PHE 87 68.081 -2.189 4.550 586 HE2 PHE 87 HE2 PHE 87 71.502 -2.334 1.961 587 HZ PHE 87 HZ PHE 87 70.176 -1.171 3.702 588 H SER 88 HN SER 88 66.647 -8.199 1.138 589 HA SER 88 HA SER 88 68.449 -10.559 1.362 590 1HB SER 88 HB2 SER 88 66.488 -10.604 3.024 591 2HB SER 88 HB1 SER 88 65.438 -10.758 1.618 592 HG SER 88 HG SER 88 66.675 -12.619 1.043 593 H ALA 89 HN ALA 89 67.540 -8.427 -0.681 594 HA ALA 89 HA ALA 89 67.032 -8.373 -2.989 595 1HB ALA 89 HB1 ALA 89 68.087 -10.125 -4.174 596 2HB ALA 89 HB2 ALA 89 67.691 -11.317 -2.936 597 3HB ALA 89 HB3 ALA 89 68.943 -10.113 -2.631 598 H ASN 90 HN ASN 90 64.710 -8.366 -1.800 599 HA ASN 90 HA ASN 90 62.966 -10.548 -1.771 600 1HB ASN 90 HB2 ASN 90 61.343 -8.897 -1.539 601 2HB ASN 90 HB1 ASN 90 62.791 -7.948 -1.220 602 1HD2 ASN 90 HD2 ASN 90 63.826 -7.423 -3.720 603 2HD2 ASN 90 HD2 ASN 90 62.699 -6.591 -4.677 Start of MODEL 20 1 1H ASP 1 HT1 ASP 1 45.708 8.469 5.389 2 2H ASP 1 HT2 ASP 1 47.220 8.789 6.096 3 3H ASP 1 HT3 ASP 1 46.478 7.276 6.316 4 HA ASP 1 HA ASP 1 48.082 8.234 4.109 5 1HB ASP 1 HB2 ASP 1 47.149 5.498 5.040 6 2HB ASP 1 HB1 ASP 1 48.560 5.847 4.039 7 H GLY 2 HN GLY 2 47.517 6.137 2.303 8 1HA GLY 2 HA2 GLY 2 44.674 6.305 1.569 9 2HA GLY 2 HA1 GLY 2 45.778 7.115 0.458 10 H SER 3 HN SER 3 44.210 4.901 -0.343 11 HA SER 3 HA SER 3 45.556 2.382 -0.179 12 1HB SER 3 HB2 SER 3 43.251 2.591 -0.891 13 2HB SER 3 HB1 SER 3 43.707 3.644 -2.228 14 HG SER 3 HG SER 3 44.654 1.939 -3.241 15 H CYS 4 HN CYS 4 45.657 4.907 -2.727 16 HA CYS 4 HA CYS 4 47.331 5.360 -4.341 17 1HB CYS 4 HB2 CYS 4 48.488 4.983 -1.908 18 2HB CYS 4 HB1 CYS 4 49.289 3.710 -2.830 19 H THR 5 HN THR 5 49.263 3.943 -5.529 20 HA THR 5 HA THR 5 48.464 1.117 -5.887 21 HB THR 5 HB THR 5 48.383 3.123 -8.168 22 HG1 THR 5 HG1 THR 5 46.340 1.957 -6.595 23 1HG2 THR 5 HG21 THR 5 47.006 1.053 -9.093 24 2HG2 THR 5 HG22 THR 5 47.974 0.164 -7.917 25 3HG2 THR 5 HG23 THR 5 48.763 1.075 -9.200 26 H ASN 6 HN ASN 6 50.840 3.024 -5.232 27 HA ASN 6 HA ASN 6 53.087 3.406 -6.080 28 1HB ASN 6 HB2 ASN 6 54.167 1.104 -5.580 29 2HB ASN 6 HB1 ASN 6 53.263 1.888 -4.289 30 1HD2 ASN 6 HD2 ASN 6 52.643 -0.118 -3.252 31 2HD2 ASN 6 HD2 ASN 6 51.548 -1.198 -3.970 32 H THR 7 HN THR 7 51.895 3.485 -8.477 33 HA THR 7 HA THR 7 52.192 2.958 -10.763 34 HB THR 7 HB THR 7 54.740 1.836 -9.548 35 HG1 THR 7 HG1 THR 7 54.607 4.254 -10.914 36 1HG2 THR 7 HG21 THR 7 55.036 1.033 -11.649 37 2HG2 THR 7 HG22 THR 7 55.346 2.714 -12.078 38 3HG2 THR 7 HG23 THR 7 53.740 2.026 -12.311 39 H ASN 8 HN ASN 8 50.468 1.264 -9.654 40 HA ASN 8 HA ASN 8 49.474 -0.856 -9.931 41 1HB ASN 8 HB2 ASN 8 51.555 -0.566 -12.033 42 2HB ASN 8 HB1 ASN 8 50.928 -2.186 -11.757 43 1HD2 ASN 8 HD2 ASN 8 50.419 -0.557 -14.151 44 2HD2 ASN 8 HD2 ASN 8 48.743 -0.298 -14.216 45 H SER 9 HN SER 9 50.071 -1.567 -7.769 46 HA SER 9 HA SER 9 51.801 -3.919 -7.761 47 1HB SER 9 HB2 SER 9 52.749 -1.999 -5.745 48 2HB SER 9 HB1 SER 9 53.673 -3.021 -6.839 49 HG SER 9 HG SER 9 53.631 -1.488 -8.337 50 H GLN 10 HN GLN 10 52.256 -3.662 -4.835 51 HA GLN 10 HA GLN 10 49.415 -3.859 -3.883 52 1HB GLN 10 HB2 GLN 10 51.543 -5.802 -4.061 53 2HB GLN 10 HB1 GLN 10 51.091 -5.572 -2.371 54 1HG GLN 10 HG2 GLN 10 49.365 -6.970 -2.785 55 2HG GLN 10 HG1 GLN 10 48.644 -5.637 -3.688 56 1HE2 GLN 10 HE21 GLN 10 51.512 -7.630 -4.555 57 2HE2 GLN 10 HE22 GLN 10 50.856 -8.211 -6.009 58 H LEU 11 HN LEU 11 49.330 -1.903 -2.724 59 HA LEU 11 HA LEU 11 51.514 -1.348 -0.746 60 1HB LEU 11 HB2 LEU 11 50.892 0.383 -2.426 61 2HB LEU 11 HB1 LEU 11 49.243 0.375 -1.800 62 HG LEU 11 HG LEU 11 50.034 1.101 0.395 63 1HD1 LEU 11 HD1 LEU 11 52.709 0.634 -0.893 64 2HD1 LEU 11 HD1 LEU 11 52.138 0.144 0.702 65 3HD1 LEU 11 HD1 LEU 11 52.559 1.830 0.398 66 1HD2 LEU 11 HD2 LEU 11 51.237 3.292 -0.435 67 2HD2 LEU 11 HD2 LEU 11 49.563 2.990 -0.900 68 3HD2 LEU 11 HD2 LEU 11 50.870 2.659 -2.040 69 H SER 12 HN SER 12 50.896 -2.681 0.975 70 HA SER 12 HA SER 12 48.518 -3.474 2.033 71 1HB SER 12 HB2 SER 12 51.153 -2.998 2.917 72 2HB SER 12 HB1 SER 12 50.114 -2.292 4.140 73 HG SER 12 HG SER 12 49.842 -4.267 4.783 74 H ALA 13 HN ALA 13 46.669 -2.540 2.847 75 HA ALA 13 HA ALA 13 45.919 0.130 2.548 76 1HB ALA 13 HB1 ALA 13 45.004 -1.379 4.961 77 2HB ALA 13 HB2 ALA 13 44.738 -2.122 3.381 78 3HB ALA 13 HB3 ALA 13 44.046 -0.538 3.740 79 H ASN 14 HN ASN 14 47.956 -1.264 5.005 80 HA ASN 14 HA ASN 14 47.727 1.143 6.721 81 1HB ASN 14 HB2 ASN 14 49.269 -0.310 8.165 82 2HB ASN 14 HB1 ASN 14 47.645 -0.922 7.884 83 1HD2 ASN 14 HD2 ASN 14 50.923 -1.129 6.371 84 2HD2 ASN 14 HD2 ASN 14 50.770 -2.761 5.932 85 H SER 15 HN SER 15 49.733 -0.019 4.189 86 HA SER 15 HA SER 15 52.270 1.052 5.001 87 1HB SER 15 HB2 SER 15 51.551 -0.526 3.051 88 2HB SER 15 HB1 SER 15 51.233 0.964 2.166 89 HG SER 15 HG SER 15 53.309 1.342 2.055 90 H LYS 16 HN LYS 16 53.156 2.952 3.378 91 HA LYS 16 HA LYS 16 51.160 5.190 3.523 92 1HB LYS 16 HB2 LYS 16 53.294 4.847 5.167 93 2HB LYS 16 HB1 LYS 16 54.052 5.764 3.864 94 1HG LYS 16 HG2 LYS 16 51.891 7.275 4.101 95 2HG LYS 16 HG1 LYS 16 51.848 6.584 5.725 96 1HD LYS 16 HD2 LYS 16 54.026 7.426 6.244 97 2HD LYS 16 HD1 LYS 16 54.343 7.840 4.560 98 1HE LYS 16 HE2 LYS 16 53.761 9.860 5.886 99 2HE LYS 16 HE1 LYS 16 52.524 9.542 4.655 100 1HZ LYS 16 HZ1 LYS 16 52.243 8.195 7.231 101 2HZ LYS 16 HZ2 LYS 16 51.045 8.791 6.185 102 3HZ LYS 16 HZ3 LYS 16 51.902 9.857 7.192 103 H CYS 17 HN CYS 17 51.241 6.680 1.800 104 HA CYS 17 HA CYS 17 53.141 6.021 -0.430 105 1HB CYS 17 HB2 CYS 17 50.492 5.523 -0.430 106 2HB CYS 17 HB1 CYS 17 50.454 7.199 -0.972 107 H GLU 18 HN GLU 18 54.569 7.735 -0.469 108 HA GLU 18 HA GLU 18 53.467 10.493 -0.058 109 1HB GLU 18 HB2 GLU 18 55.463 9.148 1.249 110 2HB GLU 18 HB1 GLU 18 56.382 10.016 0.018 111 1HG GLU 18 HG2 GLU 18 56.288 11.778 1.437 112 2HG GLU 18 HG1 GLU 18 54.614 11.940 0.904 113 H LYS 19 HN LYS 19 56.130 11.477 -1.130 114 HA LYS 19 HA LYS 19 55.338 11.500 -3.988 115 1HB LYS 19 HB2 LYS 19 57.054 13.341 -4.037 116 2HB LYS 19 HB1 LYS 19 55.773 13.610 -2.855 117 1HG LYS 19 HG2 LYS 19 57.269 13.654 -1.176 118 2HG LYS 19 HG1 LYS 19 57.889 12.071 -1.646 119 1HD LYS 19 HD2 LYS 19 58.849 13.875 -3.593 120 2HD LYS 19 HD1 LYS 19 59.084 14.674 -2.037 121 1HE LYS 19 HE2 LYS 19 60.393 12.858 -1.187 122 2HE LYS 19 HE1 LYS 19 59.917 11.801 -2.532 123 1HZ LYS 19 HZ1 LYS 19 62.096 12.779 -2.930 124 2HZ LYS 19 HZ2 LYS 19 61.443 14.341 -2.782 125 3HZ LYS 19 HZ3 LYS 19 60.972 13.338 -4.069 126 H SER 20 HN SER 20 57.021 9.354 -2.290 127 HA SER 20 HA SER 20 59.616 9.195 -3.491 128 1HB SER 20 HB2 SER 20 59.704 7.244 -2.270 129 2HB SER 20 HB1 SER 20 58.245 7.905 -1.537 130 HG SER 20 HG SER 20 57.211 6.288 -2.364 131 H THR 21 HN THR 21 60.204 7.360 -5.076 132 HA THR 21 HA THR 21 58.262 7.411 -7.335 133 HB THR 21 HB THR 21 61.205 6.714 -7.088 134 HG1 THR 21 HG1 THR 21 60.710 8.917 -6.934 135 1HG2 THR 21 HG21 THR 21 60.038 5.412 -8.869 136 2HG2 THR 21 HG22 THR 21 61.217 6.549 -9.518 137 3HG2 THR 21 HG23 THR 21 59.497 6.931 -9.581 138 H LEU 22 HN LEU 22 56.873 5.687 -7.219 139 HA LEU 22 HA LEU 22 57.863 3.070 -6.201 140 1HB LEU 22 HB2 LEU 22 55.110 4.153 -6.877 141 2HB LEU 22 HB1 LEU 22 55.416 2.571 -6.163 142 HG LEU 22 HG LEU 22 54.888 3.988 -4.328 143 1HD1 LEU 22 HD1 LEU 22 56.998 2.587 -4.128 144 2HD1 LEU 22 HD1 LEU 22 56.895 3.955 -3.018 145 3HD1 LEU 22 HD1 LEU 22 57.911 4.060 -4.458 146 1HD2 LEU 22 HD2 LEU 22 55.501 6.216 -4.121 147 2HD2 LEU 22 HD2 LEU 22 55.453 6.070 -5.878 148 3HD2 LEU 22 HD2 LEU 22 56.996 5.998 -5.029 149 H THR 23 HN THR 23 57.853 1.215 -7.494 150 HA THR 23 HA THR 23 56.743 1.331 -10.246 151 HB THR 23 HB THR 23 59.670 1.009 -9.522 152 HG1 THR 23 HG1 THR 23 59.370 2.611 -11.517 153 1HG2 THR 23 HG21 THR 23 58.126 -0.060 -11.794 154 2HG2 THR 23 HG22 THR 23 59.717 -0.530 -11.191 155 3HG2 THR 23 HG23 THR 23 59.555 0.868 -12.256 156 H ASN 24 HN ASN 24 55.463 -0.505 -10.053 157 HA ASN 24 HA ASN 24 54.889 -2.770 -9.660 158 1HB ASN 24 HB2 ASN 24 57.845 -2.781 -10.322 159 2HB ASN 24 HB1 ASN 24 56.988 -4.285 -9.986 160 1HD2 ASN 24 HD2 ASN 24 56.249 -1.302 -11.907 161 2HD2 ASN 24 HD2 ASN 24 55.729 -2.151 -13.282 162 H CYS 25 HN CYS 25 55.253 -1.191 -7.351 163 HA CYS 25 HA CYS 25 57.076 -2.293 -5.428 164 1HB CYS 25 HB2 CYS 25 54.493 -0.719 -5.260 165 2HB CYS 25 HB1 CYS 25 55.514 -1.038 -3.861 166 H TYR 26 HN TYR 26 55.329 -2.750 -3.221 167 HA TYR 26 HA TYR 26 53.281 -4.640 -3.444 168 1HB TYR 26 HB2 TYR 26 54.781 -6.020 -4.773 169 2HB TYR 26 HB1 TYR 26 56.094 -5.795 -3.625 170 HD1 TYR 26 HD1 TYR 26 56.148 -8.368 -3.746 171 HD2 TYR 26 HD2 TYR 26 52.882 -6.155 -2.050 172 HE1 TYR 26 HE1 TYR 26 55.404 -10.397 -2.533 173 HE2 TYR 26 HE2 TYR 26 52.141 -8.183 -0.832 174 HH TYR 26 HH TYR 26 52.367 -10.475 -0.777 175 H VAL 27 HN VAL 27 53.902 -2.635 -1.727 176 HA VAL 27 HA VAL 27 55.420 -3.394 0.590 177 HB VAL 27 HB VAL 27 53.175 -1.376 0.414 178 1HG1 VAL 27 HG11 VAL 27 55.613 -1.808 2.108 179 2HG1 VAL 27 HG12 VAL 27 53.982 -1.347 2.597 180 3HG1 VAL 27 HG13 VAL 27 55.043 -0.162 1.833 181 1HG2 VAL 27 HG21 VAL 27 54.385 -0.778 -1.489 182 2HG2 VAL 27 HG22 VAL 27 55.906 -1.396 -0.841 183 3HG2 VAL 27 HG23 VAL 27 55.247 0.128 -0.245 184 H ASP 28 HN ASP 28 54.427 -3.495 2.761 185 HA ASP 28 HA ASP 28 51.719 -4.715 2.921 186 1HB ASP 28 HB2 ASP 28 53.808 -6.314 2.520 187 2HB ASP 28 HB1 ASP 28 54.004 -6.111 4.260 188 H LYS 29 HN LYS 29 54.633 -3.516 4.538 189 HA LYS 29 HA LYS 29 53.005 -2.242 6.639 190 1HB LYS 29 HB2 LYS 29 54.729 -4.670 6.965 191 2HB LYS 29 HB1 LYS 29 54.700 -3.493 8.278 192 1HG LYS 29 HG2 LYS 29 52.064 -3.660 7.853 193 2HG LYS 29 HG1 LYS 29 52.520 -5.259 7.262 194 1HD LYS 29 HD2 LYS 29 52.257 -5.752 9.504 195 2HD LYS 29 HD1 LYS 29 53.956 -5.275 9.511 196 1HE LYS 29 HE2 LYS 29 53.511 -3.513 10.860 197 2HE LYS 29 HE1 LYS 29 52.233 -2.944 9.765 198 1HZ LYS 29 HZ1 LYS 29 51.788 -5.343 11.411 199 2HZ LYS 29 HZ2 LYS 29 50.651 -4.256 10.771 200 3HZ LYS 29 HZ3 LYS 29 51.595 -3.811 12.112 201 H SER 30 HN SER 30 54.316 -0.649 4.999 202 HA SER 30 HA SER 30 56.792 0.120 6.481 203 1HB SER 30 HB2 SER 30 56.479 -0.509 3.544 204 2HB SER 30 HB1 SER 30 57.808 0.481 4.141 205 HG SER 30 HG SER 30 57.169 -2.205 4.763 206 H GLU 31 HN GLU 31 57.614 2.283 5.247 207 HA GLU 31 HA GLU 31 55.214 4.062 4.914 208 1HB GLU 31 HB2 GLU 31 57.494 4.053 6.726 209 2HB GLU 31 HB1 GLU 31 57.396 5.568 5.832 210 1HG GLU 31 HG2 GLU 31 55.360 6.147 6.751 211 2HG GLU 31 HG1 GLU 31 54.868 4.469 6.980 212 H VAL 32 HN VAL 32 58.751 4.320 4.453 213 HA VAL 32 HA VAL 32 60.019 4.910 2.551 214 HB VAL 32 HB VAL 32 57.424 4.569 1.030 215 1HG1 VAL 32 HG11 VAL 32 60.359 4.490 0.391 216 2HG1 VAL 32 HG12 VAL 32 59.072 5.375 -0.426 217 3HG1 VAL 32 HG13 VAL 32 59.200 3.627 -0.621 218 1HG2 VAL 32 HG21 VAL 32 59.430 2.406 1.727 219 2HG2 VAL 32 HG22 VAL 32 57.878 2.204 0.914 220 3HG2 VAL 32 HG23 VAL 32 57.929 2.646 2.619 221 H TYR 33 HN TYR 33 60.179 6.713 0.923 222 HA TYR 33 HA TYR 33 58.210 8.894 1.103 223 1HB TYR 33 HB2 TYR 33 60.904 8.898 2.470 224 2HB TYR 33 HB1 TYR 33 60.113 10.404 2.015 225 HD1 TYR 33 HD1 TYR 33 57.714 10.804 2.834 226 HD2 TYR 33 HD2 TYR 33 60.283 7.763 4.442 227 HE1 TYR 33 HE1 TYR 33 56.292 10.677 4.864 228 HE2 TYR 33 HE2 TYR 33 58.864 7.632 6.471 229 HH TYR 33 HH TYR 33 57.264 8.868 7.680 230 H GLY 34 HN GLY 34 61.642 8.202 0.279 231 1HA GLY 34 HA2 GLY 34 61.147 9.554 -2.348 232 2HA GLY 34 HA1 GLY 34 62.669 9.728 -1.475 233 H THR 35 HN THR 35 61.775 6.640 -0.881 234 HA THR 35 HA THR 35 63.804 5.358 -2.314 235 HB THR 35 HB THR 35 61.057 4.430 -1.444 236 HG1 THR 35 HG1 THR 35 63.098 5.175 -0.077 237 1HG2 THR 35 HG21 THR 35 63.330 2.966 -2.691 238 2HG2 THR 35 HG22 THR 35 61.595 2.675 -2.821 239 3HG2 THR 35 HG23 THR 35 62.466 2.172 -1.373 240 H THR 36 HN THR 36 63.623 3.918 -4.256 241 HA THR 36 HA THR 36 61.878 5.157 -6.340 242 HB THR 36 HB THR 36 63.795 3.313 -7.390 243 HG1 THR 36 HG1 THR 36 65.297 3.441 -5.943 244 1HG2 THR 36 HG21 THR 36 62.872 5.949 -7.783 245 2HG2 THR 36 HG22 THR 36 63.986 5.044 -8.813 246 3HG2 THR 36 HG23 THR 36 64.614 6.082 -7.531 247 H CYS 37 HN CYS 37 62.284 2.289 -4.479 248 HA CYS 37 HA CYS 37 61.192 0.190 -4.546 249 1HB CYS 37 HB2 CYS 37 59.379 1.995 -4.408 250 2HB CYS 37 HB1 CYS 37 59.156 1.760 -6.137 251 H THR 38 HN THR 38 62.464 -1.106 -5.943 252 HA THR 38 HA THR 38 61.718 -1.032 -8.850 253 HB THR 38 HB THR 38 64.234 -1.854 -7.370 254 HG1 THR 38 HG1 THR 38 63.957 0.361 -7.790 255 1HG2 THR 38 HG21 THR 38 64.696 -3.253 -9.068 256 2HG2 THR 38 HG22 THR 38 64.654 -1.875 -10.167 257 3HG2 THR 38 HG23 THR 38 63.193 -2.818 -9.879 258 H GLY 39 HN GLY 39 59.904 -2.481 -8.545 259 1HA GLY 39 HA2 GLY 39 58.847 -4.555 -8.183 260 2HA GLY 39 HA1 GLY 39 60.303 -5.197 -8.943 261 H SER 40 HN SER 40 59.537 -3.728 -5.757 262 HA SER 40 HA SER 40 60.797 -6.133 -4.482 263 1HB SER 40 HB2 SER 40 62.493 -4.586 -4.196 264 2HB SER 40 HB1 SER 40 61.392 -3.215 -4.277 265 HG SER 40 HG SER 40 60.833 -3.537 -2.189 266 H ARG 41 HN ARG 41 60.319 -5.766 -1.895 267 HA ARG 41 HA ARG 41 57.607 -4.677 -1.436 268 1HB ARG 41 HB2 ARG 41 56.889 -6.993 -0.622 269 2HB ARG 41 HB1 ARG 41 57.090 -6.831 -2.367 270 1HG ARG 41 HG2 ARG 41 59.103 -8.020 -2.383 271 2HG ARG 41 HG1 ARG 41 59.413 -7.713 -0.674 272 1HD ARG 41 HD2 ARG 41 57.550 -9.218 -0.054 273 2HD ARG 41 HD1 ARG 41 57.238 -9.532 -1.774 274 HE ARG 41 HE ARG 41 59.914 -10.077 -1.564 275 1HH1 ARG 41 HH2 ARG 41 57.194 -11.845 -1.236 276 2HH1 ARG 41 HH2 ARG 41 57.817 -13.006 -0.112 277 1HH2 ARG 41 HH1 ARG 41 60.718 -11.219 0.531 278 2HH2 ARG 41 HH1 ARG 41 59.812 -12.651 0.889 279 H PHE 42 HN PHE 42 57.152 -4.445 0.821 280 HA PHE 42 HA PHE 42 59.492 -4.977 2.628 281 1HB PHE 42 HB2 PHE 42 57.357 -2.867 2.997 282 2HB PHE 42 HB1 PHE 42 58.969 -2.924 3.709 283 HD1 PHE 42 HD1 PHE 42 57.314 -0.912 1.690 284 HD2 PHE 42 HD2 PHE 42 60.661 -3.592 1.393 285 HE1 PHE 42 HE1 PHE 42 58.209 0.411 -0.205 286 HE2 PHE 42 HE2 PHE 42 61.553 -2.268 -0.504 287 HZ PHE 42 HZ PHE 42 60.326 -0.267 -1.298 288 H ASP 43 HN ASP 43 58.467 -4.752 5.053 289 HA ASP 43 HA ASP 43 55.823 -5.937 5.393 290 1HB ASP 43 HB2 ASP 43 57.178 -7.847 4.557 291 2HB ASP 43 HB1 ASP 43 58.320 -7.598 5.879 292 H GLY 44 HN GLY 44 57.270 -3.652 6.422 293 1HA GLY 44 HA2 GLY 44 56.640 -3.053 8.844 294 2HA GLY 44 HA1 GLY 44 57.652 -4.432 9.277 295 H VAL 45 HN VAL 45 57.902 -1.423 7.301 296 HA VAL 45 HA VAL 45 60.571 -1.017 8.571 297 HB VAL 45 HB VAL 45 61.700 -0.988 6.528 298 1HG1 VAL 45 HG11 VAL 45 61.011 -2.951 5.255 299 2HG1 VAL 45 HG12 VAL 45 59.397 -2.874 5.958 300 3HG1 VAL 45 HG13 VAL 45 60.783 -3.260 6.976 301 1HG2 VAL 45 HG21 VAL 45 59.156 0.088 5.536 302 2HG2 VAL 45 HG22 VAL 45 59.916 -1.035 4.408 303 3HG2 VAL 45 HG23 VAL 45 60.800 0.386 4.972 304 H THR 46 HN THR 46 61.394 1.171 7.175 305 HA THR 46 HA THR 46 59.307 3.195 6.898 306 HB THR 46 HB THR 46 61.172 3.138 9.294 307 HG1 THR 46 HG1 THR 46 58.417 3.389 9.492 308 1HG2 THR 46 HG21 THR 46 59.477 5.279 8.079 309 2HG2 THR 46 HG22 THR 46 61.044 5.411 8.879 310 3HG2 THR 46 HG23 THR 46 59.580 5.192 9.837 311 H ILE 47 HN ILE 47 61.075 2.514 5.009 312 HA ILE 47 HA ILE 47 63.639 3.884 5.152 313 HB ILE 47 HB ILE 47 63.334 1.901 3.803 314 1HG1 ILE 47 HG12 ILE 47 63.422 4.234 1.872 315 2HG1 ILE 47 HG11 ILE 47 64.784 3.787 2.899 316 1HG2 ILE 47 HG21 ILE 47 61.717 2.564 1.668 317 2HG2 ILE 47 HG22 ILE 47 60.884 3.325 3.023 318 3HG2 ILE 47 HG23 ILE 47 61.215 1.594 3.052 319 1HD1 ILE 47 HD1 ILE 47 63.431 1.982 0.869 320 2HD1 ILE 47 HD1 ILE 47 64.780 1.520 1.908 321 3HD1 ILE 47 HD1 ILE 47 65.005 2.758 0.669 322 H THR 48 HN THR 48 64.188 5.530 3.364 323 HA THR 48 HA THR 48 61.910 7.394 2.824 324 HB THR 48 HB THR 48 63.495 9.235 3.495 325 HG1 THR 48 HG1 THR 48 65.384 8.646 4.515 326 1HG2 THR 48 HG21 THR 48 61.994 8.741 5.197 327 2HG2 THR 48 HG22 THR 48 63.537 8.446 6.000 328 3HG2 THR 48 HG23 THR 48 62.592 7.091 5.383 329 H THR 49 HN THR 49 64.212 9.241 1.839 330 HA THR 49 HA THR 49 64.096 8.563 -0.944 331 HB THR 49 HB THR 49 65.978 10.290 0.695 332 HG1 THR 49 HG1 THR 49 63.907 11.197 -0.966 333 1HG2 THR 49 HG21 THR 49 66.585 11.374 -1.380 334 2HG2 THR 49 HG22 THR 49 65.440 10.384 -2.283 335 3HG2 THR 49 HG23 THR 49 66.870 9.643 -1.560 336 H SER 50 HN SER 50 64.886 6.310 -1.107 337 HA SER 50 HA SER 50 67.863 6.191 -1.074 338 1HB SER 50 HB2 SER 50 65.940 4.390 0.418 339 2HB SER 50 HB1 SER 50 67.609 3.933 0.094 340 HG SER 50 HG SER 50 66.733 5.383 2.072 341 H THR 51 HN THR 51 68.695 4.759 -2.632 342 HA THR 51 HA THR 51 66.698 3.708 -4.581 343 HB THR 51 HB THR 51 69.440 3.446 -5.372 344 HG1 THR 51 HG1 THR 51 69.692 5.886 -5.242 345 1HG2 THR 51 HG21 THR 51 66.959 4.403 -6.353 346 2HG2 THR 51 HG22 THR 51 68.443 4.133 -7.266 347 3HG2 THR 51 HG23 THR 51 68.124 5.711 -6.546 348 H SER 52 HN SER 52 66.201 1.572 -4.346 349 HA SER 52 HA SER 52 68.399 -0.323 -3.624 350 1HB SER 52 HB2 SER 52 65.655 -0.804 -2.565 351 2HB SER 52 HB1 SER 52 67.216 -1.137 -1.821 352 HG SER 52 HG SER 52 66.868 0.643 -0.769 353 H THR 53 HN THR 53 68.503 -1.892 -5.170 354 HA THR 53 HA THR 53 66.059 -2.414 -6.823 355 HB THR 53 HB THR 53 68.747 -3.393 -7.631 356 HG1 THR 53 HG1 THR 53 69.392 -1.448 -6.860 357 1HG2 THR 53 HG21 THR 53 66.440 -1.951 -8.953 358 2HG2 THR 53 HG22 THR 53 66.936 -3.627 -9.183 359 3HG2 THR 53 HG23 THR 53 67.950 -2.318 -9.791 360 H GLY 54 HN GLY 54 65.050 -4.096 -5.660 361 1HA GLY 54 HA2 GLY 54 64.728 -6.380 -5.140 362 2HA GLY 54 HA1 GLY 54 66.341 -6.710 -5.779 363 H SER 55 HN SER 55 64.586 -5.543 -2.937 364 HA SER 55 HA SER 55 66.689 -6.643 -1.191 365 1HB SER 55 HB2 SER 55 66.848 -4.290 -0.114 366 2HB SER 55 HB1 SER 55 67.676 -4.541 -1.648 367 HG SER 55 HG SER 55 65.933 -3.581 -2.694 368 H ARG 56 HN ARG 56 65.432 -7.715 0.296 369 HA ARG 56 HA ARG 56 62.681 -6.955 0.882 370 1HB ARG 56 HB2 ARG 56 64.362 -9.188 1.108 371 2HB ARG 56 HB1 ARG 56 63.992 -8.747 2.775 372 1HG ARG 56 HG2 ARG 56 61.560 -8.499 1.383 373 2HG ARG 56 HG1 ARG 56 62.283 -10.000 0.801 374 1HD ARG 56 HD2 ARG 56 62.153 -9.360 3.758 375 2HD ARG 56 HD1 ARG 56 60.830 -10.194 2.920 376 HE ARG 56 HE ARG 56 62.419 -11.973 2.315 377 1HH1 ARG 56 HH1 ARG 56 62.848 -10.329 5.209 378 2HH1 ARG 56 HH1 ARG 56 64.435 -10.946 5.529 379 1HH2 ARG 56 HH2 ARG 56 64.762 -12.451 2.421 380 2HH2 ARG 56 HH2 ARG 56 65.516 -12.152 3.951 381 H ILE 57 HN ILE 57 62.372 -5.075 2.080 382 HA ILE 57 HA ILE 57 64.339 -4.283 4.128 383 HB ILE 57 HB ILE 57 61.683 -3.014 3.424 384 1HG1 ILE 57 HG12 ILE 57 62.797 -3.280 1.322 385 2HG1 ILE 57 HG11 ILE 57 63.125 -1.625 1.837 386 1HG2 ILE 57 HG21 ILE 57 64.302 -2.021 4.583 387 2HG2 ILE 57 HG22 ILE 57 62.730 -2.076 5.385 388 3HG2 ILE 57 HG23 ILE 57 63.001 -0.952 4.053 389 1HD1 ILE 57 HD1 ILE 57 65.253 -2.361 1.213 390 2HD1 ILE 57 HD1 ILE 57 64.968 -3.997 1.807 391 3HD1 ILE 57 HD1 ILE 57 65.255 -2.683 2.947 392 H SER 58 HN SER 58 61.860 -6.469 4.174 393 HA SER 58 HA SER 58 60.127 -5.979 6.261 394 1HB SER 58 HB2 SER 58 61.806 -8.442 5.697 395 2HB SER 58 HB1 SER 58 60.398 -8.436 6.754 396 HG SER 58 HG SER 58 60.323 -8.868 4.255 397 H GLY 59 HN GLY 59 60.270 -6.561 8.613 398 1HA GLY 59 HA2 GLY 59 62.256 -7.204 10.270 399 2HA GLY 59 HA1 GLY 59 62.850 -5.633 9.740 400 HA PRO 60 HA PRO 60 59.451 -5.377 13.082 401 1HB PRO 60 HB2 PRO 60 60.977 -5.424 15.359 402 2HB PRO 60 HB1 PRO 60 60.245 -6.881 14.658 403 1HG PRO 60 HG2 PRO 60 63.043 -5.876 14.439 404 2HG PRO 60 HG1 PRO 60 62.452 -7.532 14.657 405 1HD PRO 60 HD2 PRO 60 63.284 -6.572 12.261 406 2HD PRO 60 HD1 PRO 60 62.024 -7.817 12.420 407 H GLY 61 HN GLY 61 60.332 -3.396 11.540 408 1HA GLY 61 HA2 GLY 61 60.199 -0.982 12.122 409 2HA GLY 61 HA1 GLY 61 61.316 -1.314 13.447 410 H CYS 62 HN CYS 62 61.732 -2.790 10.291 411 HA CYS 62 HA CYS 62 64.447 -2.123 9.981 412 1HB CYS 62 HB2 CYS 62 62.693 -3.647 8.686 413 2HB CYS 62 HB1 CYS 62 62.606 -2.248 7.614 414 H LYS 63 HN LYS 63 65.478 -0.185 9.529 415 HA LYS 63 HA LYS 63 63.808 2.038 8.385 416 1HB LYS 63 HB2 LYS 63 66.235 2.322 10.167 417 2HB LYS 63 HB1 LYS 63 65.000 3.531 9.815 418 1HG LYS 63 HG2 LYS 63 64.540 0.949 11.323 419 2HG LYS 63 HG1 LYS 63 64.677 2.546 12.057 420 1HD LYS 63 HD2 LYS 63 62.797 2.892 10.034 421 2HD LYS 63 HD1 LYS 63 62.382 1.326 10.731 422 1HE LYS 63 HE2 LYS 63 63.003 3.158 12.870 423 2HE LYS 63 HE1 LYS 63 61.790 3.892 11.802 424 1HZ LYS 63 HZ1 LYS 63 60.457 1.943 11.916 425 2HZ LYS 63 HZ2 LYS 63 60.846 2.367 13.516 426 3HZ LYS 63 HZ3 LYS 63 61.657 1.083 12.753 427 H ILE 64 HN ILE 64 64.816 3.383 6.834 428 HA ILE 64 HA ILE 64 67.592 2.781 5.975 429 HB ILE 64 HB ILE 64 65.067 2.346 4.365 430 1HG1 ILE 64 HG12 ILE 64 66.129 0.480 5.715 431 2HG1 ILE 64 HG11 ILE 64 66.007 0.156 3.985 432 1HG2 ILE 64 HG21 ILE 64 66.639 3.760 3.055 433 2HG2 ILE 64 HG22 ILE 64 66.487 2.142 2.370 434 3HG2 ILE 64 HG23 ILE 64 67.909 2.566 3.322 435 1HD1 ILE 64 HD1 ILE 64 68.274 0.262 3.666 436 2HD1 ILE 64 HD1 ILE 64 68.305 -0.163 5.379 437 3HD1 ILE 64 HD1 ILE 64 68.488 1.520 4.883 438 H SER 65 HN SER 65 68.568 4.687 5.274 439 HA SER 65 HA SER 65 66.794 6.936 4.430 440 1HB SER 65 HB2 SER 65 68.614 8.228 5.958 441 2HB SER 65 HB1 SER 65 67.085 7.626 6.593 442 HG SER 65 HG SER 65 68.471 6.663 7.906 443 H THR 66 HN THR 66 67.524 7.504 2.453 444 HA THR 66 HA THR 66 68.985 7.856 0.638 445 HB THR 66 HB THR 66 70.987 8.793 2.646 446 HG1 THR 66 HG1 THR 66 69.575 9.997 3.601 447 1HG2 THR 66 HG21 THR 66 70.323 10.805 0.869 448 2HG2 THR 66 HG22 THR 66 70.109 9.340 -0.095 449 3HG2 THR 66 HG23 THR 66 71.663 9.673 0.674 450 H CYS 67 HN CYS 67 69.222 5.349 0.625 451 HA CYS 67 HA CYS 67 72.148 4.734 0.871 452 1HB CYS 67 HB2 CYS 67 70.885 3.723 2.755 453 2HB CYS 67 HB1 CYS 67 69.820 2.922 1.606 454 H ILE 68 HN ILE 68 72.905 4.063 -1.110 455 HA ILE 68 HA ILE 68 70.959 3.398 -3.229 456 HB ILE 68 HB ILE 68 73.977 3.716 -3.146 457 1HG1 ILE 68 HG12 ILE 68 73.406 5.791 -4.474 458 2HG1 ILE 68 HG11 ILE 68 71.706 5.477 -4.128 459 1HG2 ILE 68 HG21 ILE 68 73.870 2.502 -5.067 460 2HG2 ILE 68 HG22 ILE 68 73.194 3.974 -5.766 461 3HG2 ILE 68 HG23 ILE 68 72.120 2.694 -5.193 462 1HD1 ILE 68 HD1 ILE 68 73.690 5.597 -1.875 463 2HD1 ILE 68 HD1 ILE 68 71.955 5.901 -1.843 464 3HD1 ILE 68 HD1 ILE 68 73.046 7.090 -2.556 465 H ILE 69 HN ILE 69 70.279 1.383 -2.187 466 HA ILE 69 HA ILE 69 72.240 -0.812 -1.986 467 HB ILE 69 HB ILE 69 69.229 -0.894 -1.661 468 1HG1 ILE 69 HG12 ILE 69 70.975 -0.416 0.721 469 2HG1 ILE 69 HG11 ILE 69 70.683 0.961 -0.333 470 1HG2 ILE 69 HG21 ILE 69 70.694 -3.001 -1.647 471 2HG2 ILE 69 HG22 ILE 69 69.636 -2.765 -0.256 472 3HG2 ILE 69 HG23 ILE 69 71.355 -2.395 -0.129 473 1HD1 ILE 69 HD1 ILE 69 68.952 -0.047 1.639 474 2HD1 ILE 69 HD1 ILE 69 68.225 -0.501 0.098 475 3HD1 ILE 69 HD1 ILE 69 68.584 1.191 0.438 476 H THR 70 HN THR 70 71.839 -2.866 -3.187 477 HA THR 70 HA THR 70 70.061 -2.794 -5.532 478 HB THR 70 HB THR 70 73.082 -2.652 -5.738 479 HG1 THR 70 HG1 THR 70 72.491 -0.627 -5.759 480 1HG2 THR 70 HG21 THR 70 71.691 -4.235 -7.332 481 2HG2 THR 70 HG22 THR 70 72.943 -3.183 -7.994 482 3HG2 THR 70 HG23 THR 70 71.248 -2.713 -8.105 483 H GLY 71 HN GLY 71 69.246 -4.815 -4.790 484 1HA GLY 71 HA2 GLY 71 69.282 -7.189 -5.127 485 2HA GLY 71 HA1 GLY 71 71.034 -7.109 -5.317 486 H GLY 72 HN GLY 72 69.373 -5.553 -2.643 487 1HA GLY 72 HA2 GLY 72 69.242 -6.187 -0.365 488 2HA GLY 72 HA1 GLY 72 69.918 -7.758 -0.790 489 H VAL 73 HN VAL 73 71.640 -5.120 -2.071 490 HA VAL 73 HA VAL 73 73.685 -5.338 0.118 491 HB VAL 73 HB VAL 73 75.338 -5.232 -1.679 492 1HG1 VAL 73 HG11 VAL 73 73.621 -7.349 -1.255 493 2HG1 VAL 73 HG12 VAL 73 75.072 -7.418 -2.253 494 3HG1 VAL 73 HG13 VAL 73 73.503 -7.120 -2.998 495 1HG2 VAL 73 HG21 VAL 73 72.941 -4.349 -3.181 496 2HG2 VAL 73 HG22 VAL 73 74.044 -5.406 -4.067 497 3HG2 VAL 73 HG23 VAL 73 74.633 -3.888 -3.388 498 HA PRO 74 HA PRO 74 73.023 -0.924 0.071 499 1HB PRO 74 HB2 PRO 74 74.651 -0.354 2.187 500 2HB PRO 74 HB1 PRO 74 73.027 -1.030 2.384 501 1HG PRO 74 HG2 PRO 74 75.660 -2.349 2.630 502 2HG PRO 74 HG1 PRO 74 74.133 -2.708 3.447 503 1HD PRO 74 HD2 PRO 74 75.214 -4.120 1.293 504 2HD PRO 74 HD1 PRO 74 73.537 -4.220 1.873 505 H ALA 75 HN ALA 75 74.215 0.783 -0.850 506 HA ALA 75 HA ALA 75 76.851 0.087 -1.979 507 1HB ALA 75 HB1 ALA 75 76.457 2.420 -3.013 508 2HB ALA 75 HB2 ALA 75 74.873 2.358 -2.238 509 3HB ALA 75 HB3 ALA 75 75.311 1.151 -3.449 510 HA PRO 76 HA PRO 76 79.195 2.203 1.070 511 1HB PRO 76 HB2 PRO 76 81.352 2.943 -0.454 512 2HB PRO 76 HB1 PRO 76 81.076 1.279 0.096 513 1HG PRO 76 HG2 PRO 76 80.504 2.509 -2.558 514 2HG PRO 76 HG1 PRO 76 81.169 0.913 -2.174 515 1HD PRO 76 HD2 PRO 76 78.580 1.283 -2.875 516 2HD PRO 76 HD1 PRO 76 79.102 0.001 -1.758 517 H SER 77 HN SER 77 77.163 3.832 0.425 518 HA SER 77 HA SER 77 78.245 6.374 -0.682 519 1HB SER 77 HB2 SER 77 75.756 4.980 -0.664 520 2HB SER 77 HB1 SER 77 75.512 6.493 0.204 521 HG SER 77 HG SER 77 76.041 6.023 -2.458 522 H ALA 78 HN ALA 78 78.201 8.312 0.594 523 HA ALA 78 HA ALA 78 78.716 7.946 3.427 524 1HB ALA 78 HB1 ALA 78 78.605 10.584 3.166 525 2HB ALA 78 HB2 ALA 78 78.553 10.196 1.446 526 3HB ALA 78 HB3 ALA 78 79.924 9.675 2.426 527 H ALA 79 HN ALA 79 75.831 8.194 1.667 528 HA ALA 79 HA ALA 79 74.376 9.466 3.951 529 1HB ALA 79 HB1 ALA 79 73.275 8.847 1.214 530 2HB ALA 79 HB2 ALA 79 74.311 10.249 1.473 531 3HB ALA 79 HB3 ALA 79 72.780 10.113 2.337 532 H CYS 80 HN CYS 80 74.867 6.403 2.377 533 HA CYS 80 HA CYS 80 72.320 5.186 2.996 534 1HB CYS 80 HB2 CYS 80 73.804 4.207 1.362 535 2HB CYS 80 HB1 CYS 80 75.116 4.119 2.527 536 H LYS 81 HN LYS 81 71.581 4.496 4.993 537 HA LYS 81 HA LYS 81 73.546 4.522 7.240 538 1HB LYS 81 HB2 LYS 81 71.922 5.667 8.319 539 2HB LYS 81 HB1 LYS 81 71.021 5.689 6.806 540 1HG LYS 81 HG2 LYS 81 70.865 3.425 8.816 541 2HG LYS 81 HG1 LYS 81 69.731 4.773 8.769 542 1HD LYS 81 HD2 LYS 81 68.654 3.951 6.956 543 2HD LYS 81 HD1 LYS 81 70.159 3.504 6.151 544 1HE LYS 81 HE2 LYS 81 68.743 1.509 6.739 545 2HE LYS 81 HE1 LYS 81 70.321 1.483 7.549 546 1HZ LYS 81 HZ1 LYS 81 69.427 2.162 9.540 547 2HZ LYS 81 HZ2 LYS 81 68.171 1.179 8.948 548 3HZ LYS 81 HZ3 LYS 81 68.064 2.871 8.821 549 H ILE 82 HN ILE 82 72.928 2.889 9.023 550 HA ILE 82 HA ILE 82 71.595 0.415 8.236 551 HB ILE 82 HB ILE 82 74.526 0.863 7.904 552 1HG1 ILE 82 HG12 ILE 82 73.561 -1.374 6.466 553 2HG1 ILE 82 HG11 ILE 82 72.271 -0.172 6.425 554 1HG2 ILE 82 HG21 ILE 82 74.802 -0.730 9.620 555 2HG2 ILE 82 HG22 ILE 82 74.790 -1.714 8.157 556 3HG2 ILE 82 HG23 ILE 82 73.344 -1.611 9.162 557 1HD1 ILE 82 HD1 ILE 82 74.295 1.473 5.902 558 2HD1 ILE 82 HD1 ILE 82 73.529 0.536 4.618 559 3HD1 ILE 82 HD1 ILE 82 75.049 -0.015 5.324 560 H SER 83 HN SER 83 70.538 0.773 10.302 561 HA SER 83 HA SER 83 72.346 0.467 12.675 562 1HB SER 83 HB2 SER 83 70.447 2.423 11.981 563 2HB SER 83 HB1 SER 83 69.674 1.456 13.233 564 HG SER 83 HG SER 83 72.338 2.375 13.461 565 H GLY 84 HN GLY 84 68.924 -0.147 11.775 566 1HA GLY 84 HA2 GLY 84 69.219 -2.902 12.852 567 2HA GLY 84 HA1 GLY 84 67.962 -1.873 13.537 568 H CYS 85 HN CYS 85 69.092 -2.436 10.177 569 HA CYS 85 HA CYS 85 66.246 -3.084 9.489 570 1HB CYS 85 HB2 CYS 85 67.523 -0.839 8.781 571 2HB CYS 85 HB1 CYS 85 68.146 -1.887 7.511 572 H THR 86 HN THR 86 67.088 -3.609 6.700 573 HA THR 86 HA THR 86 69.152 -5.448 6.323 574 HB THR 86 HB THR 86 68.441 -6.846 8.071 575 HG1 THR 86 HG1 THR 86 66.970 -7.790 5.846 576 1HG2 THR 86 HG21 THR 86 65.792 -7.463 7.907 577 2HG2 THR 86 HG22 THR 86 65.773 -5.796 7.332 578 3HG2 THR 86 HG23 THR 86 66.431 -6.172 8.926 579 H PHE 87 HN PHE 87 69.068 -6.289 4.231 580 HA PHE 87 HA PHE 87 66.581 -5.677 2.670 581 1HB PHE 87 HB2 PHE 87 69.319 -6.309 1.568 582 2HB PHE 87 HB1 PHE 87 68.018 -5.406 0.803 583 HD1 PHE 87 HD1 PHE 87 70.934 -4.524 1.137 584 HD2 PHE 87 HD2 PHE 87 67.406 -3.822 3.500 585 HE1 PHE 87 HE1 PHE 87 71.912 -2.413 1.974 586 HE2 PHE 87 HE2 PHE 87 68.396 -1.700 4.337 587 HZ PHE 87 HZ PHE 87 70.650 -0.998 3.572 588 H SER 88 HN SER 88 69.294 -8.000 2.425 589 HA SER 88 HA SER 88 69.274 -10.359 2.195 590 1HB SER 88 HB2 SER 88 67.108 -9.709 3.773 591 2HB SER 88 HB1 SER 88 66.352 -10.599 2.454 592 HG SER 88 HG SER 88 68.002 -11.466 4.461 593 H ALA 89 HN ALA 89 68.045 -8.180 0.125 594 HA ALA 89 HA ALA 89 67.324 -8.290 -2.130 595 1HB ALA 89 HB1 ALA 89 68.049 -11.069 -2.539 596 2HB ALA 89 HB2 ALA 89 69.276 -10.250 -1.571 597 3HB ALA 89 HB3 ALA 89 68.840 -9.619 -3.161 598 H ASN 90 HN ASN 90 65.027 -8.262 -1.456 599 HA ASN 90 HA ASN 90 63.486 -10.502 -0.709 600 1HB ASN 90 HB2 ASN 90 61.648 -9.097 -1.230 601 2HB ASN 90 HB1 ASN 90 62.955 -7.969 -0.880 602 1HD2 ASN 90 HD2 ASN 90 62.942 -6.287 -2.383 603 2HD2 ASN 90 HD2 ASN 90 62.603 -6.458 -4.038 Start of MODEL 21 1 1H ASP 1 HT1 ASP 1 48.250 5.649 0.779 2 2H ASP 1 HT2 ASP 1 48.310 4.026 1.277 3 3H ASP 1 HT3 ASP 1 49.489 5.126 1.811 4 HA ASP 1 HA ASP 1 47.869 4.686 3.571 5 1HB ASP 1 HB2 ASP 1 47.589 7.027 4.072 6 2HB ASP 1 HB1 ASP 1 49.078 6.889 3.135 7 H GLY 2 HN GLY 2 46.545 4.198 0.734 8 1HA GLY 2 HA2 GLY 2 43.889 3.854 1.589 9 2HA GLY 2 HA1 GLY 2 43.960 5.457 0.855 10 H SER 3 HN SER 3 44.953 2.092 0.167 11 HA SER 3 HA SER 3 45.019 0.921 -1.882 12 1HB SER 3 HB2 SER 3 42.876 2.647 -2.981 13 2HB SER 3 HB1 SER 3 42.922 0.897 -2.794 14 HG SER 3 HG SER 3 42.142 2.891 -0.999 15 H CYS 4 HN CYS 4 47.080 2.558 -1.997 16 HA CYS 4 HA CYS 4 46.820 4.395 -4.322 17 1HB CYS 4 HB2 CYS 4 48.116 4.567 -1.932 18 2HB CYS 4 HB1 CYS 4 49.416 3.954 -2.954 19 H THR 5 HN THR 5 47.945 1.224 -3.508 20 HA THR 5 HA THR 5 48.903 -0.477 -4.815 21 HB THR 5 HB THR 5 48.164 1.531 -6.967 22 HG1 THR 5 HG1 THR 5 46.909 -0.914 -6.610 23 1HG2 THR 5 HG21 THR 5 49.366 -1.217 -7.108 24 2HG2 THR 5 HG22 THR 5 49.758 0.215 -8.060 25 3HG2 THR 5 HG23 THR 5 48.267 -0.672 -8.374 26 H ASN 6 HN ASN 6 50.345 2.381 -4.157 27 HA ASN 6 HA ASN 6 52.614 3.035 -4.224 28 1HB ASN 6 HB2 ASN 6 53.753 1.118 -3.824 29 2HB ASN 6 HB1 ASN 6 52.420 0.192 -4.489 30 1HD2 ASN 6 HD2 ASN 6 55.171 2.185 -5.747 31 2HD2 ASN 6 HD2 ASN 6 55.548 1.122 -7.015 32 H THR 7 HN THR 7 51.981 1.121 -7.182 33 HA THR 7 HA THR 7 52.164 3.503 -8.886 34 HB THR 7 HB THR 7 54.285 1.329 -8.880 35 HG1 THR 7 HG1 THR 7 54.098 3.915 -7.894 36 1HG2 THR 7 HG21 THR 7 53.918 3.741 -10.681 37 2HG2 THR 7 HG22 THR 7 53.741 2.053 -11.160 38 3HG2 THR 7 HG23 THR 7 55.322 2.673 -10.686 39 H ASN 8 HN ASN 8 52.107 -0.033 -8.609 40 HA ASN 8 HA ASN 8 49.829 -0.377 -10.299 41 1HB ASN 8 HB2 ASN 8 52.125 0.343 -11.675 42 2HB ASN 8 HB1 ASN 8 52.105 -1.411 -11.827 43 1HD2 ASN 8 HD2 ASN 8 50.353 1.542 -12.650 44 2HD2 ASN 8 HD2 ASN 8 49.280 0.813 -13.743 45 H SER 9 HN SER 9 51.169 -1.428 -7.840 46 HA SER 9 HA SER 9 51.022 -4.334 -8.534 47 1HB SER 9 HB2 SER 9 53.365 -3.790 -8.440 48 2HB SER 9 HB1 SER 9 53.146 -2.829 -6.980 49 HG SER 9 HG SER 9 53.892 -4.791 -6.316 50 H GLN 10 HN GLN 10 51.757 -2.536 -5.528 51 HA GLN 10 HA GLN 10 49.110 -2.943 -4.394 52 1HB GLN 10 HB2 GLN 10 50.990 -5.103 -4.398 53 2HB GLN 10 HB1 GLN 10 50.773 -4.563 -2.732 54 1HG GLN 10 HG2 GLN 10 48.230 -4.572 -3.311 55 2HG GLN 10 HG1 GLN 10 48.708 -5.615 -4.652 56 1HE2 GLN 10 HE21 GLN 10 48.518 -5.402 -1.120 57 2HE2 GLN 10 HE22 GLN 10 48.823 -7.046 -0.828 58 H LEU 11 HN LEU 11 49.350 -2.700 -1.849 59 HA LEU 11 HA LEU 11 51.613 -1.285 -0.750 60 1HB LEU 11 HB2 LEU 11 50.732 0.325 -2.483 61 2HB LEU 11 HB1 LEU 11 49.214 0.377 -1.584 62 HG LEU 11 HG LEU 11 50.298 1.297 0.353 63 1HD1 LEU 11 HD1 LEU 11 52.788 0.487 -1.124 64 2HD1 LEU 11 HD1 LEU 11 52.348 0.202 0.561 65 3HD1 LEU 11 HD1 LEU 11 52.859 1.810 0.044 66 1HD2 LEU 11 HD2 LEU 11 51.778 3.135 -1.141 67 2HD2 LEU 11 HD2 LEU 11 50.062 3.256 -0.753 68 3HD2 LEU 11 HD2 LEU 11 50.573 2.533 -2.278 69 H SER 12 HN SER 12 51.055 -2.756 0.983 70 HA SER 12 HA SER 12 48.725 -3.366 2.250 71 1HB SER 12 HB2 SER 12 50.900 -4.074 3.048 72 2HB SER 12 HB1 SER 12 51.339 -2.419 3.459 73 HG SER 12 HG SER 12 50.178 -2.550 5.225 74 H ALA 13 HN ALA 13 47.126 -2.316 3.400 75 HA ALA 13 HA ALA 13 46.666 0.448 3.190 76 1HB ALA 13 HB1 ALA 13 45.232 -0.159 5.352 77 2HB ALA 13 HB2 ALA 13 45.728 -1.797 4.933 78 3HB ALA 13 HB3 ALA 13 44.819 -0.828 3.775 79 H ASN 14 HN ASN 14 48.845 -1.206 5.313 80 HA ASN 14 HA ASN 14 48.944 1.015 7.268 81 1HB ASN 14 HB2 ASN 14 49.065 -1.410 7.877 82 2HB ASN 14 HB1 ASN 14 50.587 -1.522 6.993 83 1HD2 ASN 14 HD2 ASN 14 52.268 0.250 7.740 84 2HD2 ASN 14 HD2 ASN 14 52.375 0.496 9.414 85 H SER 15 HN SER 15 50.338 0.314 4.256 86 HA SER 15 HA SER 15 53.019 1.343 4.741 87 1HB SER 15 HB2 SER 15 52.410 -0.208 2.902 88 2HB SER 15 HB1 SER 15 51.369 1.027 2.201 89 HG SER 15 HG SER 15 54.119 1.448 2.738 90 H LYS 16 HN LYS 16 53.216 3.199 2.580 91 HA LYS 16 HA LYS 16 51.333 5.406 3.231 92 1HB LYS 16 HB2 LYS 16 53.279 5.361 4.856 93 2HB LYS 16 HB1 LYS 16 54.348 5.650 3.485 94 1HG LYS 16 HG2 LYS 16 52.944 7.706 2.969 95 2HG LYS 16 HG1 LYS 16 52.157 7.461 4.529 96 1HD LYS 16 HD2 LYS 16 54.876 7.255 5.113 97 2HD LYS 16 HD1 LYS 16 54.792 8.574 3.945 98 1HE LYS 16 HE2 LYS 16 54.225 9.877 5.731 99 2HE LYS 16 HE1 LYS 16 52.637 9.089 5.632 100 1HZ LYS 16 HZ1 LYS 16 54.982 8.053 7.139 101 2HZ LYS 16 HZ2 LYS 16 53.456 7.312 7.041 102 3HZ LYS 16 HZ3 LYS 16 53.629 8.806 7.834 103 H CYS 17 HN CYS 17 50.815 6.367 1.300 104 HA CYS 17 HA CYS 17 52.703 6.006 -0.994 105 1HB CYS 17 HB2 CYS 17 50.580 4.966 -1.350 106 2HB CYS 17 HB1 CYS 17 49.711 6.364 -0.722 107 H GLU 18 HN GLU 18 53.808 7.825 -1.557 108 HA GLU 18 HA GLU 18 52.473 10.399 -1.863 109 1HB GLU 18 HB2 GLU 18 53.036 9.911 0.673 110 2HB GLU 18 HB1 GLU 18 54.669 10.366 0.187 111 1HG GLU 18 HG2 GLU 18 54.077 12.558 -0.260 112 2HG GLU 18 HG1 GLU 18 52.411 12.136 -0.658 113 H LYS 19 HN LYS 19 53.434 10.995 -3.767 114 HA LYS 19 HA LYS 19 55.113 11.197 -5.435 115 1HB LYS 19 HB2 LYS 19 56.442 12.061 -2.847 116 2HB LYS 19 HB1 LYS 19 57.054 12.451 -4.455 117 1HG LYS 19 HG2 LYS 19 54.485 13.252 -4.738 118 2HG LYS 19 HG1 LYS 19 54.704 13.545 -3.012 119 1HD LYS 19 HD2 LYS 19 56.388 15.116 -3.351 120 2HD LYS 19 HD1 LYS 19 56.825 14.455 -4.926 121 1HE LYS 19 HE2 LYS 19 55.272 15.725 -6.021 122 2HE LYS 19 HE1 LYS 19 54.054 15.490 -4.750 123 1HZ LYS 19 HZ1 LYS 19 56.246 17.445 -4.881 124 2HZ LYS 19 HZ2 LYS 19 55.742 16.881 -3.359 125 3HZ LYS 19 HZ3 LYS 19 54.639 17.666 -4.386 126 H SER 20 HN SER 20 58.010 10.892 -3.937 127 HA SER 20 HA SER 20 59.636 9.176 -3.865 128 1HB SER 20 HB2 SER 20 57.490 8.369 -2.444 129 2HB SER 20 HB1 SER 20 57.475 7.128 -3.693 130 HG SER 20 HG SER 20 58.801 6.438 -2.041 131 H THR 21 HN THR 21 60.474 7.375 -5.210 132 HA THR 21 HA THR 21 59.241 7.396 -7.927 133 HB THR 21 HB THR 21 61.690 6.084 -8.023 134 HG1 THR 21 HG1 THR 21 62.134 8.314 -6.402 135 1HG2 THR 21 HG21 THR 21 61.879 9.007 -8.216 136 2HG2 THR 21 HG22 THR 21 60.510 8.331 -9.099 137 3HG2 THR 21 HG23 THR 21 62.149 7.778 -9.452 138 H LEU 22 HN LEU 22 58.397 5.739 -5.492 139 HA LEU 22 HA LEU 22 59.100 3.037 -5.659 140 1HB LEU 22 HB2 LEU 22 57.304 4.600 -4.311 141 2HB LEU 22 HB1 LEU 22 56.226 3.636 -5.318 142 HG LEU 22 HG LEU 22 57.568 1.596 -4.522 143 1HD1 LEU 22 HD1 LEU 22 58.980 3.739 -3.202 144 2HD1 LEU 22 HD1 LEU 22 59.378 2.021 -3.253 145 3HD1 LEU 22 HD1 LEU 22 58.305 2.641 -1.999 146 1HD2 LEU 22 HD2 LEU 22 55.918 3.238 -2.579 147 2HD2 LEU 22 HD2 LEU 22 56.330 1.540 -2.338 148 3HD2 LEU 22 HD2 LEU 22 55.323 2.018 -3.703 149 H THR 23 HN THR 23 58.208 1.256 -6.828 150 HA THR 23 HA THR 23 56.254 1.669 -8.966 151 HB THR 23 HB THR 23 59.161 1.102 -9.645 152 HG1 THR 23 HG1 THR 23 58.456 3.305 -10.753 153 1HG2 THR 23 HG21 THR 23 58.339 1.499 -11.975 154 2HG2 THR 23 HG22 THR 23 56.695 1.578 -11.340 155 3HG2 THR 23 HG23 THR 23 57.617 0.079 -11.218 156 H ASN 24 HN ASN 24 55.279 -0.305 -9.360 157 HA ASN 24 HA ASN 24 54.839 -2.619 -9.108 158 1HB ASN 24 HB2 ASN 24 57.801 -2.454 -9.733 159 2HB ASN 24 HB1 ASN 24 56.915 -3.980 -9.707 160 1HD2 ASN 24 HD2 ASN 24 56.527 -4.542 -11.858 161 2HD2 ASN 24 HD2 ASN 24 55.942 -3.482 -13.048 162 H CYS 25 HN CYS 25 54.698 -1.727 -6.655 163 HA CYS 25 HA CYS 25 56.489 -3.498 -5.022 164 1HB CYS 25 HB2 CYS 25 56.390 -0.668 -5.121 165 2HB CYS 25 HB1 CYS 25 55.612 -1.128 -3.612 166 H TYR 26 HN TYR 26 55.492 -3.988 -2.863 167 HA TYR 26 HA TYR 26 52.497 -3.959 -2.967 168 1HB TYR 26 HB2 TYR 26 54.382 -6.054 -1.817 169 2HB TYR 26 HB1 TYR 26 52.623 -6.173 -1.889 170 HD1 TYR 26 HD1 TYR 26 51.530 -6.963 -3.831 171 HD2 TYR 26 HD2 TYR 26 55.678 -5.862 -4.011 172 HE1 TYR 26 HE1 TYR 26 51.680 -7.903 -6.120 173 HE2 TYR 26 HE2 TYR 26 55.826 -6.802 -6.302 174 HH TYR 26 HH TYR 26 54.354 -8.751 -7.585 175 H VAL 27 HN VAL 27 55.423 -3.970 -1.010 176 HA VAL 27 HA VAL 27 55.896 -3.075 1.105 177 HB VAL 27 HB VAL 27 53.473 -1.356 0.556 178 1HG1 VAL 27 HG11 VAL 27 54.352 -0.573 2.532 179 2HG1 VAL 27 HG12 VAL 27 55.415 0.293 1.423 180 3HG1 VAL 27 HG13 VAL 27 55.963 -1.200 2.184 181 1HG2 VAL 27 HG21 VAL 27 54.531 -1.256 -1.540 182 2HG2 VAL 27 HG22 VAL 27 56.140 -1.472 -0.845 183 3HG2 VAL 27 HG23 VAL 27 55.305 0.071 -0.672 184 H ASP 28 HN ASP 28 55.387 -3.488 3.208 185 HA ASP 28 HA ASP 28 52.584 -4.164 3.953 186 1HB ASP 28 HB2 ASP 28 54.744 -6.008 3.437 187 2HB ASP 28 HB1 ASP 28 54.291 -6.100 5.142 188 H LYS 29 HN LYS 29 52.277 -2.754 5.649 189 HA LYS 29 HA LYS 29 52.691 -1.574 7.656 190 1HB LYS 29 HB2 LYS 29 54.334 -4.099 7.903 191 2HB LYS 29 HB1 LYS 29 54.220 -2.937 9.222 192 1HG LYS 29 HG2 LYS 29 52.220 -3.766 9.816 193 2HG LYS 29 HG1 LYS 29 51.585 -3.438 8.203 194 1HD LYS 29 HD2 LYS 29 52.004 -5.584 7.449 195 2HD LYS 29 HD1 LYS 29 53.358 -5.819 8.554 196 1HE LYS 29 HE2 LYS 29 51.994 -6.834 10.049 197 2HE LYS 29 HE1 LYS 29 50.923 -5.419 10.069 198 1HZ LYS 29 HZ1 LYS 29 50.282 -6.325 7.717 199 2HZ LYS 29 HZ2 LYS 29 49.548 -6.959 9.110 200 3HZ LYS 29 HZ3 LYS 29 50.816 -7.802 8.356 201 H SER 30 HN SER 30 53.975 -0.347 5.662 202 HA SER 30 HA SER 30 56.711 0.210 6.755 203 1HB SER 30 HB2 SER 30 55.948 0.109 3.827 204 2HB SER 30 HB1 SER 30 57.567 0.170 4.510 205 HG SER 30 HG SER 30 57.498 -1.915 4.690 206 H GLU 31 HN GLU 31 57.300 2.175 4.787 207 HA GLU 31 HA GLU 31 55.128 4.192 4.894 208 1HB GLU 31 HB2 GLU 31 57.369 4.002 6.737 209 2HB GLU 31 HB1 GLU 31 57.414 5.530 5.854 210 1HG GLU 31 HG2 GLU 31 55.325 6.210 6.659 211 2HG GLU 31 HG1 GLU 31 54.824 4.560 7.034 212 H VAL 32 HN VAL 32 58.677 4.102 4.388 213 HA VAL 32 HA VAL 32 59.967 4.721 2.509 214 HB VAL 32 HB VAL 32 57.339 4.378 1.037 215 1HG1 VAL 32 HG11 VAL 32 60.224 4.505 0.323 216 2HG1 VAL 32 HG12 VAL 32 58.812 5.029 -0.596 217 3HG1 VAL 32 HG13 VAL 32 59.246 3.320 -0.542 218 1HG2 VAL 32 HG21 VAL 32 59.295 2.134 1.407 219 2HG2 VAL 32 HG22 VAL 32 57.556 2.065 1.123 220 3HG2 VAL 32 HG23 VAL 32 58.172 2.487 2.721 221 H TYR 33 HN TYR 33 60.215 6.531 0.924 222 HA TYR 33 HA TYR 33 58.222 8.709 1.051 223 1HB TYR 33 HB2 TYR 33 60.813 8.607 2.538 224 2HB TYR 33 HB1 TYR 33 60.340 10.156 1.844 225 HD1 TYR 33 HD1 TYR 33 58.039 11.099 2.399 226 HD2 TYR 33 HD2 TYR 33 59.771 7.776 4.497 227 HE1 TYR 33 HE1 TYR 33 56.443 11.445 4.267 228 HE2 TYR 33 HE2 TYR 33 58.176 8.121 6.361 229 HH TYR 33 HH TYR 33 56.811 9.955 7.298 230 H GLY 34 HN GLY 34 61.586 7.875 0.120 231 1HA GLY 34 HA2 GLY 34 61.031 9.098 -2.547 232 2HA GLY 34 HA1 GLY 34 62.520 9.503 -1.690 233 H THR 35 HN THR 35 61.281 6.290 -1.334 234 HA THR 35 HA THR 35 63.703 5.136 -2.444 235 HB THR 35 HB THR 35 61.072 4.103 -1.383 236 HG1 THR 35 HG1 THR 35 62.207 3.821 0.394 237 1HG2 THR 35 HG21 THR 35 63.458 2.448 -2.243 238 2HG2 THR 35 HG22 THR 35 61.946 2.564 -3.142 239 3HG2 THR 35 HG23 THR 35 61.961 1.844 -1.532 240 H THR 36 HN THR 36 63.929 3.961 -4.381 241 HA THR 36 HA THR 36 61.765 4.384 -6.408 242 HB THR 36 HB THR 36 64.713 3.721 -6.726 243 HG1 THR 36 HG1 THR 36 65.010 5.750 -6.385 244 1HG2 THR 36 HG21 THR 36 64.272 3.517 -8.918 245 2HG2 THR 36 HG22 THR 36 63.469 5.086 -8.938 246 3HG2 THR 36 HG23 THR 36 62.553 3.632 -8.545 247 H CYS 37 HN CYS 37 60.790 2.423 -5.164 248 HA CYS 37 HA CYS 37 61.934 -0.176 -5.225 249 1HB CYS 37 HB2 CYS 37 60.016 0.350 -3.879 250 2HB CYS 37 HB1 CYS 37 59.098 0.877 -5.281 251 H THR 38 HN THR 38 62.620 -1.192 -7.064 252 HA THR 38 HA THR 38 61.025 -0.876 -9.578 253 HB THR 38 HB THR 38 63.874 -1.691 -8.932 254 HG1 THR 38 HG1 THR 38 62.991 0.280 -10.732 255 1HG2 THR 38 HG21 THR 38 63.987 -2.856 -10.848 256 2HG2 THR 38 HG22 THR 38 63.433 -1.441 -11.746 257 3HG2 THR 38 HG23 THR 38 62.261 -2.594 -11.105 258 H GLY 39 HN GLY 39 59.646 -2.464 -7.988 259 1HA GLY 39 HA2 GLY 39 58.644 -4.631 -8.254 260 2HA GLY 39 HA1 GLY 39 60.117 -5.188 -9.050 261 H SER 40 HN SER 40 58.959 -4.064 -5.862 262 HA SER 40 HA SER 40 60.463 -6.264 -4.573 263 1HB SER 40 HB2 SER 40 60.988 -3.310 -4.127 264 2HB SER 40 HB1 SER 40 61.644 -4.592 -3.114 265 HG SER 40 HG SER 40 63.165 -4.179 -4.653 266 H ARG 41 HN ARG 41 60.023 -6.155 -2.097 267 HA ARG 41 HA ARG 41 57.446 -4.778 -1.475 268 1HB ARG 41 HB2 ARG 41 56.676 -6.977 -0.488 269 2HB ARG 41 HB1 ARG 41 56.845 -6.991 -2.244 270 1HG ARG 41 HG2 ARG 41 59.117 -7.986 -1.984 271 2HG ARG 41 HG1 ARG 41 58.860 -8.052 -0.241 272 1HD ARG 41 HD2 ARG 41 57.374 -9.809 -0.390 273 2HD ARG 41 HD1 ARG 41 56.737 -9.267 -1.956 274 HE ARG 41 HE ARG 41 59.501 -10.394 -1.754 275 1HH1 ARG 41 HH1 ARG 41 56.651 -11.856 -2.160 276 2HH1 ARG 41 HH1 ARG 41 56.835 -12.284 -3.828 277 1HH2 ARG 41 HH2 ARG 41 59.610 -10.269 -4.319 278 2HH2 ARG 41 HH2 ARG 41 58.508 -11.387 -5.048 279 H PHE 42 HN PHE 42 57.103 -4.502 0.831 280 HA PHE 42 HA PHE 42 59.595 -4.853 2.468 281 1HB PHE 42 HB2 PHE 42 57.407 -2.774 2.754 282 2HB PHE 42 HB1 PHE 42 58.991 -2.766 3.529 283 HD1 PHE 42 HD1 PHE 42 60.524 -3.794 1.042 284 HD2 PHE 42 HD2 PHE 42 57.646 -0.657 1.614 285 HE1 PHE 42 HE1 PHE 42 61.466 -2.570 -0.900 286 HE2 PHE 42 HE2 PHE 42 58.585 0.565 -0.324 287 HZ PHE 42 HZ PHE 42 60.493 -0.392 -1.581 288 H ASP 43 HN ASP 43 58.752 -4.467 4.952 289 HA ASP 43 HA ASP 43 56.197 -5.636 5.649 290 1HB ASP 43 HB2 ASP 43 58.200 -7.401 4.766 291 2HB ASP 43 HB1 ASP 43 58.209 -7.552 6.523 292 H GLY 44 HN GLY 44 56.493 -3.646 6.982 293 1HA GLY 44 HA2 GLY 44 56.704 -2.901 9.229 294 2HA GLY 44 HA1 GLY 44 57.678 -4.331 9.583 295 H VAL 45 HN VAL 45 58.034 -1.591 7.269 296 HA VAL 45 HA VAL 45 60.756 -1.188 8.458 297 HB VAL 45 HB VAL 45 61.732 -1.267 6.362 298 1HG1 VAL 45 HG11 VAL 45 59.217 -2.911 6.014 299 2HG1 VAL 45 HG12 VAL 45 60.763 -3.465 6.659 300 3HG1 VAL 45 HG13 VAL 45 60.626 -3.016 4.958 301 1HG2 VAL 45 HG21 VAL 45 59.127 -0.144 5.415 302 2HG2 VAL 45 HG22 VAL 45 60.195 -0.933 4.252 303 3HG2 VAL 45 HG23 VAL 45 60.763 0.466 5.168 304 H THR 46 HN THR 46 61.607 0.988 7.224 305 HA THR 46 HA THR 46 59.558 3.086 7.019 306 HB THR 46 HB THR 46 61.625 3.196 9.229 307 HG1 THR 46 HG1 THR 46 59.676 2.763 10.543 308 1HG2 THR 46 HG21 THR 46 59.665 5.008 8.119 309 2HG2 THR 46 HG22 THR 46 60.892 5.319 9.347 310 3HG2 THR 46 HG23 THR 46 59.313 4.692 9.817 311 H ILE 47 HN ILE 47 61.214 2.400 5.024 312 HA ILE 47 HA ILE 47 63.799 3.765 5.143 313 HB ILE 47 HB ILE 47 63.461 1.725 3.848 314 1HG1 ILE 47 HG12 ILE 47 63.685 4.030 1.890 315 2HG1 ILE 47 HG11 ILE 47 64.996 3.556 2.970 316 1HG2 ILE 47 HG21 ILE 47 61.153 3.296 2.798 317 2HG2 ILE 47 HG22 ILE 47 61.263 1.577 3.176 318 3HG2 ILE 47 HG23 ILE 47 61.958 2.197 1.678 319 1HD1 ILE 47 HD1 ILE 47 63.771 1.990 0.702 320 2HD1 ILE 47 HD1 ILE 47 64.651 1.173 1.994 321 3HD1 ILE 47 HD1 ILE 47 65.471 2.367 0.986 322 H THR 48 HN THR 48 64.320 5.419 3.418 323 HA THR 48 HA THR 48 62.002 7.183 2.740 324 HB THR 48 HB THR 48 63.473 9.098 3.463 325 HG1 THR 48 HG1 THR 48 65.396 7.666 3.274 326 1HG2 THR 48 HG21 THR 48 62.298 8.921 5.363 327 2HG2 THR 48 HG22 THR 48 63.490 7.774 5.981 328 3HG2 THR 48 HG23 THR 48 62.086 7.192 5.083 329 H THR 49 HN THR 49 63.935 9.187 1.665 330 HA THR 49 HA THR 49 64.149 8.430 -1.009 331 HB THR 49 HB THR 49 66.024 10.074 0.720 332 HG1 THR 49 HG1 THR 49 63.658 10.581 0.299 333 1HG2 THR 49 HG21 THR 49 65.741 10.036 -2.291 334 2HG2 THR 49 HG22 THR 49 67.075 9.302 -1.398 335 3HG2 THR 49 HG23 THR 49 66.840 11.050 -1.356 336 H SER 50 HN SER 50 64.991 6.417 -1.611 337 HA SER 50 HA SER 50 67.848 5.938 -1.174 338 1HB SER 50 HB2 SER 50 65.723 4.201 0.122 339 2HB SER 50 HB1 SER 50 67.438 3.804 0.063 340 HG SER 50 HG SER 50 67.252 4.851 1.943 341 H THR 51 HN THR 51 68.630 4.569 -2.777 342 HA THR 51 HA THR 51 66.613 3.530 -4.714 343 HB THR 51 HB THR 51 69.513 3.433 -5.279 344 HG1 THR 51 HG1 THR 51 68.102 5.876 -4.972 345 1HG2 THR 51 HG21 THR 51 68.137 4.956 -7.180 346 2HG2 THR 51 HG22 THR 51 66.981 3.730 -6.661 347 3HG2 THR 51 HG23 THR 51 68.551 3.246 -7.302 348 H SER 52 HN SER 52 66.196 1.382 -4.641 349 HA SER 52 HA SER 52 68.356 -0.494 -3.769 350 1HB SER 52 HB2 SER 52 65.639 -1.245 -2.968 351 2HB SER 52 HB1 SER 52 67.110 -1.181 -2.003 352 HG SER 52 HG SER 52 65.265 0.867 -2.607 353 H THR 53 HN THR 53 68.576 -2.169 -5.208 354 HA THR 53 HA THR 53 66.371 -2.610 -7.193 355 HB THR 53 HB THR 53 69.087 -3.728 -7.613 356 HG1 THR 53 HG1 THR 53 69.630 -1.452 -8.318 357 1HG2 THR 53 HG21 THR 53 68.294 -2.028 -9.704 358 2HG2 THR 53 HG22 THR 53 66.807 -2.783 -9.130 359 3HG2 THR 53 HG23 THR 53 68.159 -3.786 -9.659 360 H GLY 54 HN GLY 54 65.140 -4.215 -6.150 361 1HA GLY 54 HA2 GLY 54 64.614 -6.403 -5.473 362 2HA GLY 54 HA1 GLY 54 66.171 -6.906 -6.136 363 H SER 55 HN SER 55 64.649 -5.433 -3.285 364 HA SER 55 HA SER 55 66.686 -6.741 -1.565 365 1HB SER 55 HB2 SER 55 66.897 -4.387 -0.449 366 2HB SER 55 HB1 SER 55 67.771 -4.688 -1.946 367 HG SER 55 HG SER 55 66.698 -3.019 -2.638 368 H ARG 56 HN ARG 56 65.349 -7.825 -0.150 369 HA ARG 56 HA ARG 56 62.652 -6.955 0.495 370 1HB ARG 56 HB2 ARG 56 64.018 -9.292 0.504 371 2HB ARG 56 HB1 ARG 56 64.133 -8.882 2.216 372 1HG ARG 56 HG2 ARG 56 61.493 -8.323 1.664 373 2HG ARG 56 HG1 ARG 56 61.794 -9.734 0.650 374 1HD ARG 56 HD2 ARG 56 62.979 -10.044 3.307 375 2HD ARG 56 HD1 ARG 56 61.222 -9.805 3.378 376 HE ARG 56 HE ARG 56 61.398 -11.584 1.342 377 1HH1 ARG 56 HH1 ARG 56 60.637 -12.485 4.119 378 2HH1 ARG 56 HH1 ARG 56 61.794 -13.740 4.415 379 1HH2 ARG 56 HH2 ARG 56 63.899 -12.765 1.832 380 2HH2 ARG 56 HH2 ARG 56 63.639 -13.904 3.111 381 H ILE 57 HN ILE 57 62.378 -5.134 1.761 382 HA ILE 57 HA ILE 57 64.362 -4.434 3.831 383 HB ILE 57 HB ILE 57 61.733 -3.084 3.165 384 1HG1 ILE 57 HG12 ILE 57 62.828 -3.399 1.040 385 2HG1 ILE 57 HG11 ILE 57 63.149 -1.736 1.537 386 1HG2 ILE 57 HG21 ILE 57 64.380 -2.222 4.346 387 2HG2 ILE 57 HG22 ILE 57 62.779 -2.113 5.075 388 3HG2 ILE 57 HG23 ILE 57 63.208 -1.060 3.728 389 1HD1 ILE 57 HD1 ILE 57 65.307 -2.652 2.600 390 2HD1 ILE 57 HD1 ILE 57 65.260 -2.568 0.839 391 3HD1 ILE 57 HD1 ILE 57 65.010 -4.111 1.654 392 H SER 58 HN SER 58 61.978 -6.647 3.805 393 HA SER 58 HA SER 58 60.153 -6.251 5.852 394 1HB SER 58 HB2 SER 58 61.892 -8.621 5.129 395 2HB SER 58 HB1 SER 58 60.558 -8.742 6.272 396 HG SER 58 HG SER 58 60.346 -7.741 3.621 397 H GLY 59 HN GLY 59 60.244 -6.158 8.132 398 1HA GLY 59 HA2 GLY 59 62.283 -7.149 9.784 399 2HA GLY 59 HA1 GLY 59 62.776 -5.512 9.359 400 HA PRO 60 HA PRO 60 59.550 -5.456 12.752 401 1HB PRO 60 HB2 PRO 60 61.138 -5.421 14.975 402 2HB PRO 60 HB1 PRO 60 60.525 -6.923 14.257 403 1HG PRO 60 HG2 PRO 60 63.231 -5.749 14.153 404 2HG PRO 60 HG1 PRO 60 62.727 -7.441 14.075 405 1HD PRO 60 HD2 PRO 60 63.498 -5.837 11.908 406 2HD PRO 60 HD1 PRO 60 62.688 -7.415 11.817 407 H GLY 61 HN GLY 61 60.304 -3.358 11.217 408 1HA GLY 61 HA2 GLY 61 59.980 -0.977 11.829 409 2HA GLY 61 HA1 GLY 61 61.058 -1.252 13.201 410 H CYS 62 HN CYS 62 61.920 -2.775 10.221 411 HA CYS 62 HA CYS 62 64.509 -1.957 9.923 412 1HB CYS 62 HB2 CYS 62 62.512 -3.106 8.346 413 2HB CYS 62 HB1 CYS 62 63.065 -1.731 7.398 414 H LYS 63 HN LYS 63 65.355 0.113 10.169 415 HA LYS 63 HA LYS 63 63.826 2.414 9.003 416 1HB LYS 63 HB2 LYS 63 64.297 2.478 11.404 417 2HB LYS 63 HB1 LYS 63 66.010 2.185 11.101 418 1HG LYS 63 HG2 LYS 63 65.945 4.332 9.679 419 2HG LYS 63 HG1 LYS 63 64.394 4.653 10.456 420 1HD LYS 63 HD2 LYS 63 65.342 5.023 12.518 421 2HD LYS 63 HD1 LYS 63 66.659 3.886 12.235 422 1HE LYS 63 HE2 LYS 63 66.665 6.274 10.473 423 2HE LYS 63 HE1 LYS 63 67.004 6.583 12.188 424 1HZ LYS 63 HZ1 LYS 63 68.293 4.447 10.573 425 2HZ LYS 63 HZ2 LYS 63 68.650 4.856 12.184 426 3HZ LYS 63 HZ3 LYS 63 69.009 5.942 10.928 427 H ILE 64 HN ILE 64 64.640 3.188 7.072 428 HA ILE 64 HA ILE 64 67.591 2.914 6.580 429 HB ILE 64 HB ILE 64 65.285 2.507 4.654 430 1HG1 ILE 64 HG12 ILE 64 66.540 0.127 4.760 431 2HG1 ILE 64 HG11 ILE 64 66.883 0.691 6.395 432 1HG2 ILE 64 HG21 ILE 64 67.631 1.392 3.626 433 2HG2 ILE 64 HG22 ILE 64 68.147 2.933 4.310 434 3HG2 ILE 64 HG23 ILE 64 66.871 2.891 3.096 435 1HD1 ILE 64 HD1 ILE 64 64.575 -0.580 5.678 436 2HD1 ILE 64 HD1 ILE 64 64.098 1.108 5.496 437 3HD1 ILE 64 HD1 ILE 64 64.704 0.526 7.045 438 H SER 65 HN SER 65 68.545 4.644 5.397 439 HA SER 65 HA SER 65 66.774 6.844 4.468 440 1HB SER 65 HB2 SER 65 68.629 8.262 5.853 441 2HB SER 65 HB1 SER 65 67.081 7.771 6.533 442 HG SER 65 HG SER 65 68.895 7.181 7.838 443 H THR 66 HN THR 66 67.507 7.354 2.471 444 HA THR 66 HA THR 66 68.968 7.592 0.626 445 HB THR 66 HB THR 66 71.062 8.394 2.598 446 HG1 THR 66 HG1 THR 66 68.509 9.549 2.260 447 1HG2 THR 66 HG21 THR 66 71.803 9.478 0.773 448 2HG2 THR 66 HG22 THR 66 70.288 10.378 0.681 449 3HG2 THR 66 HG23 THR 66 70.444 8.827 -0.146 450 H CYS 67 HN CYS 67 68.942 4.940 1.119 451 HA CYS 67 HA CYS 67 71.838 4.146 1.275 452 1HB CYS 67 HB2 CYS 67 69.296 2.975 2.290 453 2HB CYS 67 HB1 CYS 67 70.492 1.835 1.691 454 H ILE 68 HN ILE 68 72.489 4.013 -0.864 455 HA ILE 68 HA ILE 68 70.685 3.162 -2.996 456 HB ILE 68 HB ILE 68 73.616 3.830 -2.712 457 1HG1 ILE 68 HG12 ILE 68 73.032 5.701 -4.129 458 2HG1 ILE 68 HG11 ILE 68 71.432 5.028 -4.438 459 1HG2 ILE 68 HG21 ILE 68 73.839 2.215 -4.377 460 2HG2 ILE 68 HG22 ILE 68 73.487 3.649 -5.340 461 3HG2 ILE 68 HG23 ILE 68 72.210 2.483 -4.996 462 1HD1 ILE 68 HD1 ILE 68 71.569 6.882 -2.669 463 2HD1 ILE 68 HD1 ILE 68 72.377 5.694 -1.648 464 3HD1 ILE 68 HD1 ILE 68 70.727 5.405 -2.197 465 H ILE 69 HN ILE 69 70.011 1.032 -2.512 466 HA ILE 69 HA ILE 69 72.131 -1.023 -2.134 467 HB ILE 69 HB ILE 69 69.124 -1.257 -1.863 468 1HG1 ILE 69 HG12 ILE 69 70.867 -0.897 0.535 469 2HG1 ILE 69 HG11 ILE 69 70.526 0.541 -0.422 470 1HG2 ILE 69 HG21 ILE 69 70.777 -3.288 -1.963 471 2HG2 ILE 69 HG22 ILE 69 69.546 -3.245 -0.703 472 3HG2 ILE 69 HG23 ILE 69 71.208 -2.789 -0.328 473 1HD1 ILE 69 HD1 ILE 69 68.066 -0.137 -0.319 474 2HD1 ILE 69 HD1 ILE 69 68.781 0.428 1.191 475 3HD1 ILE 69 HD1 ILE 69 68.545 -1.299 0.920 476 H THR 70 HN THR 70 71.944 -3.030 -3.397 477 HA THR 70 HA THR 70 70.181 -3.088 -5.755 478 HB THR 70 HB THR 70 73.184 -2.693 -5.912 479 HG1 THR 70 HG1 THR 70 72.600 -0.735 -6.311 480 1HG2 THR 70 HG21 THR 70 73.123 -3.225 -8.200 481 2HG2 THR 70 HG22 THR 70 71.370 -3.066 -8.284 482 3HG2 THR 70 HG23 THR 70 72.090 -4.461 -7.482 483 H GLY 71 HN GLY 71 69.506 -5.163 -5.068 484 1HA GLY 71 HA2 GLY 71 69.778 -7.538 -5.392 485 2HA GLY 71 HA1 GLY 71 71.529 -7.305 -5.406 486 H GLY 72 HN GLY 72 69.661 -5.710 -2.951 487 1HA GLY 72 HA2 GLY 72 69.314 -6.270 -0.665 488 2HA GLY 72 HA1 GLY 72 70.048 -7.845 -0.971 489 H VAL 73 HN VAL 73 71.815 -5.203 -2.198 490 HA VAL 73 HA VAL 73 73.720 -5.362 0.123 491 HB VAL 73 HB VAL 73 75.471 -5.154 -1.560 492 1HG1 VAL 73 HG11 VAL 73 75.081 -7.215 -2.833 493 2HG1 VAL 73 HG12 VAL 73 73.352 -7.112 -2.503 494 3HG1 VAL 73 HG13 VAL 73 74.485 -7.412 -1.185 495 1HG2 VAL 73 HG21 VAL 73 74.693 -3.694 -3.201 496 2HG2 VAL 73 HG22 VAL 73 73.115 -4.475 -3.295 497 3HG2 VAL 73 HG23 VAL 73 74.522 -5.237 -4.037 498 HA PRO 74 HA PRO 74 72.806 -0.985 0.193 499 1HB PRO 74 HB2 PRO 74 74.325 -0.400 2.382 500 2HB PRO 74 HB1 PRO 74 72.730 -1.155 2.497 501 1HG PRO 74 HG2 PRO 74 75.423 -2.374 2.740 502 2HG PRO 74 HG1 PRO 74 73.920 -2.784 3.577 503 1HD PRO 74 HD2 PRO 74 74.975 -4.202 1.460 504 2HD PRO 74 HD1 PRO 74 73.269 -4.231 1.947 505 H ALA 75 HN ALA 75 73.940 0.879 -0.466 506 HA ALA 75 HA ALA 75 76.684 0.427 -1.506 507 1HB ALA 75 HB1 ALA 75 76.158 2.749 -2.489 508 2HB ALA 75 HB2 ALA 75 74.544 2.543 -1.811 509 3HB ALA 75 HB3 ALA 75 75.133 1.423 -3.036 510 HA PRO 76 HA PRO 76 78.407 2.555 1.927 511 1HB PRO 76 HB2 PRO 76 80.787 3.326 0.811 512 2HB PRO 76 HB1 PRO 76 80.443 1.658 1.312 513 1HG PRO 76 HG2 PRO 76 80.380 2.866 -1.406 514 2HG PRO 76 HG1 PRO 76 80.928 1.263 -0.895 515 1HD PRO 76 HD2 PRO 76 78.510 1.728 -2.074 516 2HD PRO 76 HD1 PRO 76 78.821 0.378 -0.960 517 H SER 77 HN SER 77 76.499 4.149 1.015 518 HA SER 77 HA SER 77 77.507 6.633 -0.182 519 1HB SER 77 HB2 SER 77 74.943 5.401 0.663 520 2HB SER 77 HB1 SER 77 74.992 7.160 0.716 521 HG SER 77 HG SER 77 75.116 7.218 -1.396 522 H ALA 78 HN ALA 78 77.276 8.733 0.983 523 HA ALA 78 HA ALA 78 78.386 8.586 3.674 524 1HB ALA 78 HB1 ALA 78 78.787 10.255 1.718 525 2HB ALA 78 HB2 ALA 78 78.715 10.903 3.358 526 3HB ALA 78 HB3 ALA 78 77.316 11.044 2.291 527 H ALA 79 HN ALA 79 75.170 8.820 2.372 528 HA ALA 79 HA ALA 79 74.138 9.745 5.027 529 1HB ALA 79 HB1 ALA 79 73.425 10.136 2.199 530 2HB ALA 79 HB2 ALA 79 73.093 11.164 3.594 531 3HB ALA 79 HB3 ALA 79 72.041 9.798 3.238 532 H CYS 80 HN CYS 80 74.105 7.086 2.739 533 HA CYS 80 HA CYS 80 71.839 5.608 3.426 534 1HB CYS 80 HB2 CYS 80 73.434 4.931 1.734 535 2HB CYS 80 HB1 CYS 80 74.719 4.800 2.927 536 H LYS 81 HN LYS 81 71.104 4.739 5.374 537 HA LYS 81 HA LYS 81 72.902 4.876 7.714 538 1HB LYS 81 HB2 LYS 81 70.860 4.564 8.942 539 2HB LYS 81 HB1 LYS 81 70.478 5.650 7.607 540 1HG LYS 81 HG2 LYS 81 68.744 4.133 7.386 541 2HG LYS 81 HG1 LYS 81 69.948 3.364 6.354 542 1HD LYS 81 HD2 LYS 81 70.675 2.250 8.675 543 2HD LYS 81 HD1 LYS 81 68.992 2.567 9.071 544 1HE LYS 81 HE2 LYS 81 68.520 0.615 7.991 545 2HE LYS 81 HE1 LYS 81 68.878 1.503 6.486 546 1HZ LYS 81 HZ1 LYS 81 70.816 0.023 8.177 547 2HZ LYS 81 HZ2 LYS 81 71.223 0.937 6.809 548 3HZ LYS 81 HZ3 LYS 81 70.262 -0.448 6.649 549 H ILE 82 HN ILE 82 73.045 3.019 9.143 550 HA ILE 82 HA ILE 82 72.569 0.337 7.936 551 HB ILE 82 HB ILE 82 75.216 1.187 9.146 552 1HG1 ILE 82 HG12 ILE 82 74.699 2.554 7.115 553 2HG1 ILE 82 HG11 ILE 82 76.071 1.472 6.874 554 1HG2 ILE 82 HG21 ILE 82 75.258 -1.121 9.120 555 2HG2 ILE 82 HG22 ILE 82 75.809 -0.813 7.474 556 3HG2 ILE 82 HG23 ILE 82 74.123 -1.231 7.774 557 1HD1 ILE 82 HD1 ILE 82 73.814 1.637 5.239 558 2HD1 ILE 82 HD1 ILE 82 73.534 0.186 6.204 559 3HD1 ILE 82 HD1 ILE 82 75.003 0.333 5.240 560 H SER 83 HN SER 83 70.872 0.886 9.810 561 HA SER 83 HA SER 83 71.986 -0.221 12.340 562 1HB SER 83 HB2 SER 83 70.144 2.145 12.363 563 2HB SER 83 HB1 SER 83 71.317 1.642 13.580 564 HG SER 83 HG SER 83 72.323 3.273 12.564 565 H GLY 84 HN GLY 84 70.735 -2.046 12.483 566 1HA GLY 84 HA2 GLY 84 68.839 -3.339 12.914 567 2HA GLY 84 HA1 GLY 84 68.010 -1.830 13.277 568 H CYS 85 HN CYS 85 69.074 -3.808 10.491 569 HA CYS 85 HA CYS 85 66.482 -3.726 9.313 570 1HB CYS 85 HB2 CYS 85 67.486 -1.322 9.144 571 2HB CYS 85 HB1 CYS 85 68.473 -2.000 7.854 572 H THR 86 HN THR 86 66.890 -4.230 6.704 573 HA THR 86 HA THR 86 69.282 -5.667 6.018 574 HB THR 86 HB THR 86 68.705 -7.212 7.728 575 HG1 THR 86 HG1 THR 86 68.985 -8.648 6.230 576 1HG2 THR 86 HG21 THR 86 65.851 -7.124 6.702 577 2HG2 THR 86 HG22 THR 86 66.433 -6.268 8.129 578 3HG2 THR 86 HG23 THR 86 66.429 -8.031 8.099 579 H PHE 87 HN PHE 87 69.112 -6.583 3.904 580 HA PHE 87 HA PHE 87 66.594 -5.862 2.444 581 1HB PHE 87 HB2 PHE 87 69.333 -6.432 1.293 582 2HB PHE 87 HB1 PHE 87 68.006 -5.548 0.543 583 HD1 PHE 87 HD1 PHE 87 67.356 -4.095 3.325 584 HD2 PHE 87 HD2 PHE 87 70.859 -4.553 0.883 585 HE1 PHE 87 HE1 PHE 87 68.271 -1.969 4.240 586 HE2 PHE 87 HE2 PHE 87 71.762 -2.447 1.787 587 HZ PHE 87 HZ PHE 87 70.480 -1.147 3.465 588 H SER 88 HN SER 88 69.272 -8.206 2.073 589 HA SER 88 HA SER 88 69.221 -10.550 1.751 590 1HB SER 88 HB2 SER 88 67.203 -10.033 3.458 591 2HB SER 88 HB1 SER 88 66.261 -10.611 2.086 592 HG SER 88 HG SER 88 66.921 -12.549 2.531 593 H ALA 89 HN ALA 89 67.858 -8.274 -0.194 594 HA ALA 89 HA ALA 89 67.152 -8.308 -2.452 595 1HB ALA 89 HB1 ALA 89 68.307 -9.901 -3.741 596 2HB ALA 89 HB2 ALA 89 68.143 -11.150 -2.507 597 3HB ALA 89 HB3 ALA 89 69.283 -9.826 -2.274 598 H ASN 90 HN ASN 90 64.859 -8.307 -2.124 599 HA ASN 90 HA ASN 90 63.401 -10.725 -1.435 600 1HB ASN 90 HB2 ASN 90 61.575 -9.278 -1.420 601 2HB ASN 90 HB1 ASN 90 62.896 -8.136 -1.190 602 1HD2 ASN 90 HD2 ASN 90 63.919 -7.781 -3.738 603 2HD2 ASN 90 HD2 ASN 90 62.722 -7.182 -4.781 Start of MODEL 22 1 1H ASP 1 HT1 ASP 1 46.594 7.964 -2.112 2 2H ASP 1 HT2 ASP 1 47.453 9.269 -1.443 3 3H ASP 1 HT3 ASP 1 45.903 8.883 -0.866 4 HA ASP 1 HA ASP 1 48.302 7.139 -0.611 5 1HB ASP 1 HB2 ASP 1 48.061 7.860 1.794 6 2HB ASP 1 HB1 ASP 1 48.483 9.179 0.701 7 H GLY 2 HN GLY 2 47.786 5.456 1.139 8 1HA GLY 2 HA2 GLY 2 46.191 4.038 2.269 9 2HA GLY 2 HA1 GLY 2 44.904 4.761 1.301 10 H SER 3 HN SER 3 45.148 4.314 -1.144 11 HA SER 3 HA SER 3 46.137 1.510 -1.561 12 1HB SER 3 HB2 SER 3 43.658 1.753 -1.351 13 2HB SER 3 HB1 SER 3 43.679 2.880 -2.707 14 HG SER 3 HG SER 3 44.449 1.226 -4.014 15 H CYS 4 HN CYS 4 48.119 2.613 -2.399 16 HA CYS 4 HA CYS 4 47.757 4.118 -4.944 17 1HB CYS 4 HB2 CYS 4 50.342 3.532 -3.488 18 2HB CYS 4 HB1 CYS 4 49.963 4.903 -4.528 19 H THR 5 HN THR 5 48.808 1.026 -3.713 20 HA THR 5 HA THR 5 49.404 -0.956 -4.842 21 HB THR 5 HB THR 5 48.736 0.669 -7.318 22 HG1 THR 5 HG1 THR 5 47.060 0.603 -5.720 23 1HG2 THR 5 HG21 THR 5 47.972 -1.901 -7.793 24 2HG2 THR 5 HG22 THR 5 49.381 -2.163 -6.768 25 3HG2 THR 5 HG23 THR 5 49.539 -1.243 -8.265 26 H ASN 6 HN ASN 6 51.103 1.886 -4.984 27 HA ASN 6 HA ASN 6 53.352 2.352 -5.457 28 1HB ASN 6 HB2 ASN 6 54.716 0.567 -5.007 29 2HB ASN 6 HB1 ASN 6 53.202 -0.247 -4.629 30 1HD2 ASN 6 HD2 ASN 6 55.257 0.432 -7.529 31 2HD2 ASN 6 HD2 ASN 6 55.014 -1.093 -8.226 32 H THR 7 HN THR 7 52.179 -0.118 -7.792 33 HA THR 7 HA THR 7 52.389 1.780 -10.006 34 HB THR 7 HB THR 7 54.269 -0.597 -9.834 35 HG1 THR 7 HG1 THR 7 54.969 2.132 -9.836 36 1HG2 THR 7 HG21 THR 7 53.838 1.584 -11.883 37 2HG2 THR 7 HG22 THR 7 53.719 -0.160 -12.121 38 3HG2 THR 7 HG23 THR 7 55.292 0.585 -11.839 39 H ASN 8 HN ASN 8 52.008 -1.575 -8.902 40 HA ASN 8 HA ASN 8 49.570 -1.957 -10.396 41 1HB ASN 8 HB2 ASN 8 51.854 -2.014 -11.927 42 2HB ASN 8 HB1 ASN 8 51.631 -3.712 -11.536 43 1HD2 ASN 8 HD2 ASN 8 49.586 -0.941 -12.545 44 2HD2 ASN 8 HD2 ASN 8 48.646 -1.837 -13.633 45 H SER 9 HN SER 9 50.937 -2.554 -7.735 46 HA SER 9 HA SER 9 50.262 -5.474 -7.656 47 1HB SER 9 HB2 SER 9 52.719 -3.990 -6.917 48 2HB SER 9 HB1 SER 9 52.194 -5.205 -5.757 49 HG SER 9 HG SER 9 52.938 -5.491 -8.457 50 H GLN 10 HN GLN 10 51.428 -3.466 -4.983 51 HA GLN 10 HA GLN 10 48.750 -2.936 -3.930 52 1HB GLN 10 HB2 GLN 10 49.626 -5.490 -3.659 53 2HB GLN 10 HB1 GLN 10 50.288 -4.779 -2.188 54 1HG GLN 10 HG2 GLN 10 47.915 -3.760 -1.880 55 2HG GLN 10 HG1 GLN 10 47.409 -4.981 -3.048 56 1HE2 GLN 10 HE21 GLN 10 48.617 -7.273 -2.416 57 2HE2 GLN 10 HE22 GLN 10 48.405 -7.709 -0.789 58 H LEU 11 HN LEU 11 49.344 -2.757 -1.237 59 HA LEU 11 HA LEU 11 51.859 -1.473 -0.625 60 1HB LEU 11 HB2 LEU 11 50.043 0.034 -2.124 61 2HB LEU 11 HB1 LEU 11 49.771 0.581 -0.474 62 HG LEU 11 HG LEU 11 51.482 2.012 -1.008 63 1HD1 LEU 11 HD1 LEU 11 53.560 -0.052 -0.744 64 2HD1 LEU 11 HD1 LEU 11 52.364 -0.058 0.549 65 3HD1 LEU 11 HD1 LEU 11 53.291 1.403 0.211 66 1HD2 LEU 11 HD2 LEU 11 53.130 1.620 -2.738 67 2HD2 LEU 11 HD2 LEU 11 51.543 1.153 -3.347 68 3HD2 LEU 11 HD2 LEU 11 52.684 -0.085 -2.827 69 H SER 12 HN SER 12 51.983 -2.084 1.498 70 HA SER 12 HA SER 12 50.161 -3.098 3.239 71 1HB SER 12 HB2 SER 12 51.608 -2.335 4.982 72 2HB SER 12 HB1 SER 12 52.630 -2.478 3.556 73 HG SER 12 HG SER 12 52.721 -0.450 4.855 74 H ALA 13 HN ALA 13 48.493 -2.360 4.593 75 HA ALA 13 HA ALA 13 46.861 -0.204 3.804 76 1HB ALA 13 HB1 ALA 13 46.849 -0.901 6.674 77 2HB ALA 13 HB2 ALA 13 46.788 -2.288 5.587 78 3HB ALA 13 HB3 ALA 13 45.555 -1.033 5.481 79 H ASN 14 HN ASN 14 49.692 -0.207 5.876 80 HA ASN 14 HA ASN 14 49.142 2.623 6.674 81 1HB ASN 14 HB2 ASN 14 50.828 2.150 8.410 82 2HB ASN 14 HB1 ASN 14 49.573 0.911 8.422 83 1HD2 ASN 14 HD2 ASN 14 52.972 1.512 7.817 84 2HD2 ASN 14 HD2 ASN 14 53.397 -0.099 7.490 85 H SER 15 HN SER 15 50.653 1.034 4.220 86 HA SER 15 HA SER 15 53.294 2.018 4.079 87 1HB SER 15 HB2 SER 15 53.151 1.037 2.036 88 2HB SER 15 HB1 SER 15 51.511 0.599 2.495 89 HG SER 15 HG SER 15 50.733 2.190 1.297 90 H LYS 16 HN LYS 16 53.709 3.667 2.026 91 HA LYS 16 HA LYS 16 51.989 6.077 2.264 92 1HB LYS 16 HB2 LYS 16 54.404 5.602 3.731 93 2HB LYS 16 HB1 LYS 16 54.723 6.882 2.562 94 1HG LYS 16 HG2 LYS 16 53.607 8.341 3.858 95 2HG LYS 16 HG1 LYS 16 52.148 7.361 3.700 96 1HD LYS 16 HD2 LYS 16 53.578 5.886 5.505 97 2HD LYS 16 HD1 LYS 16 54.075 7.523 5.933 98 1HE LYS 16 HE2 LYS 16 51.561 8.116 5.891 99 2HE LYS 16 HE1 LYS 16 51.280 6.364 5.918 100 1HZ LYS 16 HZ1 LYS 16 52.749 8.012 7.891 101 2HZ LYS 16 HZ2 LYS 16 52.957 6.329 7.800 102 3HZ LYS 16 HZ3 LYS 16 51.430 6.980 8.164 103 H CYS 17 HN CYS 17 51.710 6.702 0.132 104 HA CYS 17 HA CYS 17 53.995 6.243 -1.759 105 1HB CYS 17 HB2 CYS 17 52.252 5.999 -3.473 106 2HB CYS 17 HB1 CYS 17 51.926 4.905 -2.130 107 H GLU 18 HN GLU 18 54.664 8.472 -0.813 108 HA GLU 18 HA GLU 18 53.450 10.603 -2.527 109 1HB GLU 18 HB2 GLU 18 53.456 12.097 -0.577 110 2HB GLU 18 HB1 GLU 18 52.513 10.650 -0.217 111 1HG GLU 18 HG2 GLU 18 54.598 9.663 0.823 112 2HG GLU 18 HG1 GLU 18 55.354 11.247 0.647 113 H LYS 19 HN LYS 19 55.015 11.900 -3.472 114 HA LYS 19 HA LYS 19 57.181 12.644 -4.068 115 1HB LYS 19 HB2 LYS 19 56.916 12.598 -1.126 116 2HB LYS 19 HB1 LYS 19 58.582 12.627 -1.704 117 1HG LYS 19 HG2 LYS 19 57.602 14.502 -3.328 118 2HG LYS 19 HG1 LYS 19 56.431 14.676 -2.020 119 1HD LYS 19 HD2 LYS 19 58.221 15.034 -0.406 120 2HD LYS 19 HD1 LYS 19 59.440 14.740 -1.648 121 1HE LYS 19 HE2 LYS 19 58.285 16.694 -2.934 122 2HE LYS 19 HE1 LYS 19 57.590 17.106 -1.354 123 1HZ LYS 19 HZ1 LYS 19 59.844 16.983 -0.413 124 2HZ LYS 19 HZ2 LYS 19 59.713 18.196 -1.596 125 3HZ LYS 19 HZ3 LYS 19 60.474 16.723 -1.967 126 H SER 20 HN SER 20 56.639 9.769 -4.255 127 HA SER 20 HA SER 20 59.448 8.792 -4.044 128 1HB SER 20 HB2 SER 20 57.034 7.222 -3.112 129 2HB SER 20 HB1 SER 20 58.731 6.821 -2.865 130 HG SER 20 HG SER 20 57.335 9.066 -1.821 131 H THR 21 HN THR 21 59.777 6.814 -5.367 132 HA THR 21 HA THR 21 57.876 6.704 -7.685 133 HB THR 21 HB THR 21 60.275 5.617 -8.506 134 HG1 THR 21 HG1 THR 21 61.884 6.645 -7.525 135 1HG2 THR 21 HG21 THR 21 60.694 8.016 -9.376 136 2HG2 THR 21 HG22 THR 21 59.180 8.425 -8.569 137 3HG2 THR 21 HG23 THR 21 59.195 7.221 -9.859 138 H LEU 22 HN LEU 22 56.579 4.914 -7.249 139 HA LEU 22 HA LEU 22 57.783 2.492 -6.039 140 1HB LEU 22 HB2 LEU 22 55.040 3.559 -6.641 141 2HB LEU 22 HB1 LEU 22 55.246 1.838 -6.323 142 HG LEU 22 HG LEU 22 54.722 3.104 -4.253 143 1HD1 LEU 22 HD1 LEU 22 55.939 1.516 -3.223 144 2HD1 LEU 22 HD1 LEU 22 57.408 2.453 -3.495 145 3HD1 LEU 22 HD1 LEU 22 56.872 1.284 -4.701 146 1HD2 LEU 22 HD2 LEU 22 56.166 4.790 -3.412 147 2HD2 LEU 22 HD2 LEU 22 55.992 5.178 -5.124 148 3HD2 LEU 22 HD2 LEU 22 57.450 4.371 -4.546 149 H THR 23 HN THR 23 57.541 0.397 -7.078 150 HA THR 23 HA THR 23 56.672 0.182 -9.859 151 HB THR 23 HB THR 23 59.592 0.326 -9.078 152 HG1 THR 23 HG1 THR 23 59.366 2.178 -9.998 153 1HG2 THR 23 HG21 THR 23 59.601 -1.583 -10.441 154 2HG2 THR 23 HG22 THR 23 59.882 -0.280 -11.596 155 3HG2 THR 23 HG23 THR 23 58.275 -0.990 -11.441 156 H ASN 24 HN ASN 24 55.826 -1.867 -9.882 157 HA ASN 24 HA ASN 24 55.442 -4.110 -9.201 158 1HB ASN 24 HB2 ASN 24 58.359 -3.732 -9.824 159 2HB ASN 24 HB1 ASN 24 57.796 -5.311 -9.276 160 1HD2 ASN 24 HD2 ASN 24 57.943 -6.419 -11.304 161 2HD2 ASN 24 HD2 ASN 24 57.004 -5.997 -12.653 162 H CYS 25 HN CYS 25 55.006 -2.930 -6.938 163 HA CYS 25 HA CYS 25 56.757 -4.290 -4.922 164 1HB CYS 25 HB2 CYS 25 55.952 -1.406 -5.199 165 2HB CYS 25 HB1 CYS 25 56.279 -2.062 -3.601 166 H TYR 26 HN TYR 26 55.631 -4.423 -2.752 167 HA TYR 26 HA TYR 26 52.647 -4.460 -3.022 168 1HB TYR 26 HB2 TYR 26 54.636 -6.554 -2.276 169 2HB TYR 26 HB1 TYR 26 53.126 -6.533 -1.365 170 HD1 TYR 26 HD1 TYR 26 50.945 -6.785 -2.534 171 HD2 TYR 26 HD2 TYR 26 54.690 -7.184 -4.600 172 HE1 TYR 26 HE1 TYR 26 49.782 -7.878 -4.433 173 HE2 TYR 26 HE2 TYR 26 53.528 -8.277 -6.497 174 HH TYR 26 HH TYR 26 51.355 -9.606 -6.800 175 H VAL 27 HN VAL 27 55.394 -4.583 -0.765 176 HA VAL 27 HA VAL 27 55.691 -3.602 1.360 177 HB VAL 27 HB VAL 27 53.474 -1.735 0.493 178 1HG1 VAL 27 HG11 VAL 27 55.637 -1.756 2.461 179 2HG1 VAL 27 HG12 VAL 27 54.224 -0.705 2.361 180 3HG1 VAL 27 HG13 VAL 27 55.676 -0.321 1.436 181 1HG2 VAL 27 HG21 VAL 27 55.738 -0.595 -0.517 182 2HG2 VAL 27 HG22 VAL 27 54.612 -1.556 -1.477 183 3HG2 VAL 27 HG23 VAL 27 56.068 -2.302 -0.819 184 H ASP 28 HN ASP 28 54.966 -4.514 3.224 185 HA ASP 28 HA ASP 28 52.021 -5.002 3.532 186 1HB ASP 28 HB2 ASP 28 54.526 -6.501 4.196 187 2HB ASP 28 HB1 ASP 28 53.128 -6.725 5.248 188 H LYS 29 HN LYS 29 54.752 -3.336 4.798 189 HA LYS 29 HA LYS 29 53.201 -1.967 6.809 190 1HB LYS 29 HB2 LYS 29 54.565 -4.499 7.469 191 2HB LYS 29 HB1 LYS 29 54.942 -3.175 8.569 192 1HG LYS 29 HG2 LYS 29 52.894 -3.258 9.507 193 2HG LYS 29 HG1 LYS 29 52.105 -3.236 7.929 194 1HD LYS 29 HD2 LYS 29 52.368 -5.626 7.688 195 2HD LYS 29 HD1 LYS 29 53.372 -5.708 9.136 196 1HE LYS 29 HE2 LYS 29 50.956 -4.412 9.897 197 2HE LYS 29 HE1 LYS 29 50.508 -5.856 8.966 198 1HZ LYS 29 HZ1 LYS 29 52.395 -6.952 10.311 199 2HZ LYS 29 HZ2 LYS 29 50.888 -6.719 11.063 200 3HZ LYS 29 HZ3 LYS 29 52.176 -5.662 11.391 201 H SER 30 HN SER 30 54.587 -0.605 5.117 202 HA SER 30 HA SER 30 57.107 0.168 6.528 203 1HB SER 30 HB2 SER 30 56.670 -0.403 3.584 204 2HB SER 30 HB1 SER 30 58.112 0.385 4.215 205 HG SER 30 HG SER 30 57.174 -2.086 5.221 206 H GLU 31 HN GLU 31 57.889 2.264 5.016 207 HA GLU 31 HA GLU 31 55.479 4.043 4.803 208 1HB GLU 31 HB2 GLU 31 57.377 4.095 6.775 209 2HB GLU 31 HB1 GLU 31 58.069 5.225 5.613 210 1HG GLU 31 HG2 GLU 31 56.208 6.663 5.713 211 2HG GLU 31 HG1 GLU 31 55.166 5.414 6.393 212 H VAL 32 HN VAL 32 58.991 4.179 4.122 213 HA VAL 32 HA VAL 32 60.131 4.665 2.106 214 HB VAL 32 HB VAL 32 57.462 4.432 0.719 215 1HG1 VAL 32 HG11 VAL 32 60.304 3.609 0.059 216 2HG1 VAL 32 HG12 VAL 32 59.401 4.942 -0.660 217 3HG1 VAL 32 HG13 VAL 32 58.907 3.278 -0.967 218 1HG2 VAL 32 HG21 VAL 32 58.284 1.874 0.696 219 2HG2 VAL 32 HG22 VAL 32 57.218 2.496 1.956 220 3HG2 VAL 32 HG23 VAL 32 58.949 2.347 2.259 221 H TYR 33 HN TYR 33 60.688 6.670 1.295 222 HA TYR 33 HA TYR 33 58.573 8.731 0.921 223 1HB TYR 33 HB2 TYR 33 60.800 8.691 2.937 224 2HB TYR 33 HB1 TYR 33 60.274 10.238 2.274 225 HD1 TYR 33 HD1 TYR 33 59.877 8.353 5.053 226 HD2 TYR 33 HD2 TYR 33 57.449 10.072 1.954 227 HE1 TYR 33 HE1 TYR 33 57.923 8.348 6.580 228 HE2 TYR 33 HE2 TYR 33 55.496 10.068 3.481 229 HH TYR 33 HH TYR 33 54.799 9.724 5.572 230 H GLY 34 HN GLY 34 60.045 7.451 -1.123 231 1HA GLY 34 HA2 GLY 34 60.862 9.223 -2.919 232 2HA GLY 34 HA1 GLY 34 62.235 9.337 -1.818 233 H THR 35 HN THR 35 61.473 6.263 -1.379 234 HA THR 35 HA THR 35 63.635 5.196 -2.896 235 HB THR 35 HB THR 35 61.169 3.955 -1.646 236 HG1 THR 35 HG1 THR 35 63.397 3.401 -0.369 237 1HG2 THR 35 HG21 THR 35 63.115 2.019 -1.642 238 2HG2 THR 35 HG22 THR 35 63.368 2.783 -3.211 239 3HG2 THR 35 HG23 THR 35 61.791 2.107 -2.803 240 H THR 36 HN THR 36 63.623 3.899 -4.813 241 HA THR 36 HA THR 36 61.504 4.614 -6.745 242 HB THR 36 HB THR 36 64.115 3.072 -6.920 243 HG1 THR 36 HG1 THR 36 64.925 4.954 -7.648 244 1HG2 THR 36 HG21 THR 36 63.866 3.111 -9.305 245 2HG2 THR 36 HG22 THR 36 62.434 4.136 -9.199 246 3HG2 THR 36 HG23 THR 36 62.363 2.462 -8.651 247 H CYS 37 HN CYS 37 62.259 2.038 -4.619 248 HA CYS 37 HA CYS 37 61.409 -0.162 -4.408 249 1HB CYS 37 HB2 CYS 37 59.446 1.717 -4.565 250 2HB CYS 37 HB1 CYS 37 58.984 0.669 -5.904 251 H THR 38 HN THR 38 63.103 -0.669 -6.231 252 HA THR 38 HA THR 38 61.924 -1.207 -8.885 253 HB THR 38 HB THR 38 64.651 -1.724 -7.651 254 HG1 THR 38 HG1 THR 38 64.020 0.478 -7.868 255 1HG2 THR 38 HG21 THR 38 65.030 -2.971 -9.484 256 2HG2 THR 38 HG22 THR 38 64.851 -1.497 -10.438 257 3HG2 THR 38 HG23 THR 38 63.459 -2.547 -10.167 258 H GLY 39 HN GLY 39 60.474 -2.947 -8.691 259 1HA GLY 39 HA2 GLY 39 59.731 -5.130 -8.204 260 2HA GLY 39 HA1 GLY 39 61.334 -5.580 -8.787 261 H SER 40 HN SER 40 59.800 -4.256 -5.838 262 HA SER 40 HA SER 40 61.237 -6.279 -4.215 263 1HB SER 40 HB2 SER 40 62.772 -4.341 -4.527 264 2HB SER 40 HB1 SER 40 61.547 -3.284 -3.832 265 HG SER 40 HG SER 40 62.644 -5.562 -2.536 266 H ARG 41 HN ARG 41 60.579 -5.936 -1.822 267 HA ARG 41 HA ARG 41 57.946 -4.605 -1.483 268 1HB ARG 41 HB2 ARG 41 58.503 -7.574 -1.197 269 2HB ARG 41 HB1 ARG 41 57.034 -6.795 -0.608 270 1HG ARG 41 HG2 ARG 41 56.282 -7.391 -2.696 271 2HG ARG 41 HG1 ARG 41 57.017 -5.845 -3.119 272 1HD ARG 41 HD2 ARG 41 59.179 -7.559 -3.256 273 2HD ARG 41 HD1 ARG 41 57.852 -8.565 -3.870 274 HE ARG 41 HE ARG 41 57.868 -5.831 -4.930 275 1HH1 ARG 41 HH2 ARG 41 60.219 -8.079 -5.316 276 2HH1 ARG 41 HH2 ARG 41 59.925 -8.416 -6.989 277 1HH2 ARG 41 HH1 ARG 41 56.919 -6.689 -7.082 278 2HH2 ARG 41 HH1 ARG 41 58.057 -7.628 -7.988 279 H PHE 42 HN PHE 42 57.346 -4.490 0.826 280 HA PHE 42 HA PHE 42 59.676 -4.942 2.665 281 1HB PHE 42 HB2 PHE 42 57.657 -2.723 2.979 282 2HB PHE 42 HB1 PHE 42 59.308 -2.804 3.590 283 HD1 PHE 42 HD1 PHE 42 61.043 -3.356 1.469 284 HD2 PHE 42 HD2 PHE 42 57.374 -1.130 1.316 285 HE1 PHE 42 HE1 PHE 42 61.846 -2.173 -0.558 286 HE2 PHE 42 HE2 PHE 42 58.176 0.054 -0.710 287 HZ PHE 42 HZ PHE 42 60.412 -0.467 -1.647 288 H ASP 43 HN ASP 43 58.678 -4.628 5.065 289 HA ASP 43 HA ASP 43 55.962 -5.577 5.465 290 1HB ASP 43 HB2 ASP 43 57.455 -7.527 4.532 291 2HB ASP 43 HB1 ASP 43 58.112 -7.563 6.169 292 H GLY 44 HN GLY 44 57.338 -3.422 6.567 293 1HA GLY 44 HA2 GLY 44 56.931 -2.916 9.024 294 2HA GLY 44 HA1 GLY 44 57.892 -4.359 9.350 295 H VAL 45 HN VAL 45 58.307 -1.470 7.240 296 HA VAL 45 HA VAL 45 60.975 -1.100 8.549 297 HB VAL 45 HB VAL 45 62.055 -1.042 6.475 298 1HG1 VAL 45 HG11 VAL 45 61.223 -3.311 6.840 299 2HG1 VAL 45 HG12 VAL 45 61.188 -2.934 5.116 300 3HG1 VAL 45 HG13 VAL 45 59.698 -2.899 6.057 301 1HG2 VAL 45 HG21 VAL 45 59.393 -0.114 5.487 302 2HG2 VAL 45 HG22 VAL 45 60.451 -0.932 4.337 303 3HG2 VAL 45 HG23 VAL 45 61.001 0.531 5.154 304 H THR 46 HN THR 46 61.778 1.109 7.088 305 HA THR 46 HA THR 46 59.707 3.166 6.975 306 HB THR 46 HB THR 46 61.784 3.303 9.176 307 HG1 THR 46 HG1 THR 46 60.532 2.085 10.304 308 1HG2 THR 46 HG21 THR 46 61.060 5.475 8.837 309 2HG2 THR 46 HG22 THR 46 59.854 4.919 9.997 310 3HG2 THR 46 HG23 THR 46 59.467 4.967 8.277 311 H ILE 47 HN ILE 47 61.390 2.498 4.972 312 HA ILE 47 HA ILE 47 63.911 3.994 5.082 313 HB ILE 47 HB ILE 47 63.501 1.818 3.886 314 1HG1 ILE 47 HG12 ILE 47 64.258 4.028 1.960 315 2HG1 ILE 47 HG11 ILE 47 65.320 3.506 3.269 316 1HG2 ILE 47 HG21 ILE 47 61.686 1.656 2.564 317 2HG2 ILE 47 HG22 ILE 47 62.399 2.847 1.475 318 3HG2 ILE 47 HG23 ILE 47 61.344 3.370 2.789 319 1HD1 ILE 47 HD1 ILE 47 66.013 1.760 2.037 320 2HD1 ILE 47 HD1 ILE 47 64.993 2.309 0.707 321 3HD1 ILE 47 HD1 ILE 47 64.352 1.181 1.902 322 H THR 48 HN THR 48 64.360 5.562 3.225 323 HA THR 48 HA THR 48 61.958 7.255 2.629 324 HB THR 48 HB THR 48 63.388 9.197 3.082 325 HG1 THR 48 HG1 THR 48 65.510 8.527 4.090 326 1HG2 THR 48 HG21 THR 48 62.987 7.059 5.093 327 2HG2 THR 48 HG22 THR 48 62.470 8.744 5.123 328 3HG2 THR 48 HG23 THR 48 64.131 8.323 5.541 329 H THR 49 HN THR 49 64.038 9.081 1.290 330 HA THR 49 HA THR 49 63.757 8.154 -1.386 331 HB THR 49 HB THR 49 65.601 10.092 0.021 332 HG1 THR 49 HG1 THR 49 63.623 10.651 -1.896 333 1HG2 THR 49 HG21 THR 49 65.991 10.939 -2.387 334 2HG2 THR 49 HG22 THR 49 65.450 9.339 -2.894 335 3HG2 THR 49 HG23 THR 49 66.883 9.505 -1.878 336 H SER 50 HN SER 50 64.475 5.861 -1.203 337 HA SER 50 HA SER 50 67.464 5.596 -1.089 338 1HB SER 50 HB2 SER 50 66.958 4.058 0.491 339 2HB SER 50 HB1 SER 50 65.238 4.221 0.158 340 HG SER 50 HG SER 50 65.401 2.677 -1.403 341 H THR 51 HN THR 51 68.469 4.607 -2.839 342 HA THR 51 HA THR 51 66.814 4.152 -5.252 343 HB THR 51 HB THR 51 69.817 4.021 -4.832 344 HG1 THR 51 HG1 THR 51 68.050 6.122 -4.923 345 1HG2 THR 51 HG21 THR 51 69.706 4.752 -7.300 346 2HG2 THR 51 HG22 THR 51 68.021 4.239 -7.241 347 3HG2 THR 51 HG23 THR 51 69.306 3.073 -6.934 348 H SER 52 HN SER 52 67.108 2.246 -2.793 349 HA SER 52 HA SER 52 68.516 -0.082 -3.281 350 1HB SER 52 HB2 SER 52 66.464 -1.185 -2.217 351 2HB SER 52 HB1 SER 52 67.155 0.172 -1.332 352 HG SER 52 HG SER 52 64.919 0.203 -3.086 353 H THR 53 HN THR 53 68.609 -1.473 -4.986 354 HA THR 53 HA THR 53 66.373 -1.437 -6.977 355 HB THR 53 HB THR 53 69.283 -2.293 -7.072 356 HG1 THR 53 HG1 THR 53 67.768 -0.139 -8.078 357 1HG2 THR 53 HG21 THR 53 67.009 -2.930 -8.819 358 2HG2 THR 53 HG22 THR 53 68.603 -3.680 -8.729 359 3HG2 THR 53 HG23 THR 53 68.374 -2.205 -9.671 360 H GLY 54 HN GLY 54 64.933 -2.966 -6.042 361 1HA GLY 54 HA2 GLY 54 64.125 -5.118 -5.559 362 2HA GLY 54 HA1 GLY 54 65.507 -5.740 -6.465 363 H SER 55 HN SER 55 64.361 -4.816 -3.273 364 HA SER 55 HA SER 55 66.441 -6.518 -2.051 365 1HB SER 55 HB2 SER 55 67.067 -4.485 -0.583 366 2HB SER 55 HB1 SER 55 67.670 -4.499 -2.238 367 HG SER 55 HG SER 55 65.206 -3.306 -1.518 368 H ARG 56 HN ARG 56 65.353 -7.639 -0.480 369 HA ARG 56 HA ARG 56 62.736 -6.798 0.484 370 1HB ARG 56 HB2 ARG 56 64.215 -9.142 0.253 371 2HB ARG 56 HB1 ARG 56 64.160 -8.870 1.994 372 1HG ARG 56 HG2 ARG 56 61.568 -8.287 1.128 373 2HG ARG 56 HG1 ARG 56 62.025 -9.716 0.201 374 1HD ARG 56 HD2 ARG 56 62.375 -9.496 3.210 375 2HD ARG 56 HD1 ARG 56 60.983 -10.274 2.429 376 HE ARG 56 HE ARG 56 63.592 -11.197 1.450 377 1HH1 ARG 56 HH1 ARG 56 61.167 -12.903 1.346 378 2HH1 ARG 56 HH1 ARG 56 61.418 -13.999 2.664 379 1HH2 ARG 56 HH2 ARG 56 63.858 -12.048 4.171 380 2HH2 ARG 56 HH2 ARG 56 62.942 -13.515 4.263 381 H ILE 57 HN ILE 57 62.860 -4.911 1.745 382 HA ILE 57 HA ILE 57 64.939 -4.674 3.834 383 HB ILE 57 HB ILE 57 62.686 -2.932 2.803 384 1HG1 ILE 57 HG12 ILE 57 65.420 -1.921 2.703 385 2HG1 ILE 57 HG11 ILE 57 65.264 -3.459 1.854 386 1HG2 ILE 57 HG21 ILE 57 64.349 -2.721 5.242 387 2HG2 ILE 57 HG22 ILE 57 62.787 -1.988 4.876 388 3HG2 ILE 57 HG23 ILE 57 64.269 -1.260 4.257 389 1HD1 ILE 57 HD1 ILE 57 64.143 -2.486 0.158 390 2HD1 ILE 57 HD1 ILE 57 64.516 -0.926 0.890 391 3HD1 ILE 57 HD1 ILE 57 63.001 -1.740 1.277 392 H SER 58 HN SER 58 62.413 -6.582 3.803 393 HA SER 58 HA SER 58 60.521 -5.950 5.739 394 1HB SER 58 HB2 SER 58 61.878 -8.341 4.709 395 2HB SER 58 HB1 SER 58 61.236 -8.558 6.334 396 HG SER 58 HG SER 58 59.711 -7.360 4.278 397 H GLY 59 HN GLY 59 60.433 -6.310 8.089 398 1HA GLY 59 HA2 GLY 59 62.498 -7.138 9.769 399 2HA GLY 59 HA1 GLY 59 62.831 -5.433 9.466 400 HA PRO 60 HA PRO 60 59.279 -6.086 12.568 401 1HB PRO 60 HB2 PRO 60 60.592 -6.551 14.921 402 2HB PRO 60 HB1 PRO 60 60.040 -7.856 13.853 403 1HG PRO 60 HG2 PRO 60 62.764 -6.741 14.228 404 2HG PRO 60 HG1 PRO 60 62.258 -8.401 13.883 405 1HD PRO 60 HD2 PRO 60 63.285 -6.643 12.014 406 2HD PRO 60 HD1 PRO 60 62.298 -8.070 11.634 407 H GLY 61 HN GLY 61 60.023 -3.748 11.634 408 1HA GLY 61 HA2 GLY 61 59.671 -1.564 12.789 409 2HA GLY 61 HA1 GLY 61 60.817 -2.116 14.013 410 H CYS 62 HN CYS 62 61.569 -3.005 10.796 411 HA CYS 62 HA CYS 62 64.125 -2.041 10.605 412 1HB CYS 62 HB2 CYS 62 62.030 -2.906 8.857 413 2HB CYS 62 HB1 CYS 62 62.850 -1.542 8.098 414 H LYS 63 HN LYS 63 65.073 -0.134 9.587 415 HA LYS 63 HA LYS 63 63.420 2.280 9.237 416 1HB LYS 63 HB2 LYS 63 63.675 2.195 11.656 417 2HB LYS 63 HB1 LYS 63 65.410 1.914 11.499 418 1HG LYS 63 HG2 LYS 63 65.656 4.125 10.404 419 2HG LYS 63 HG1 LYS 63 63.929 4.411 10.623 420 1HD LYS 63 HD2 LYS 63 64.452 3.859 13.144 421 2HD LYS 63 HD1 LYS 63 66.101 4.289 12.689 422 1HE LYS 63 HE2 LYS 63 65.590 6.494 12.699 423 2HE LYS 63 HE1 LYS 63 64.192 6.223 11.638 424 1HZ LYS 63 HZ1 LYS 63 63.878 6.943 14.141 425 2HZ LYS 63 HZ2 LYS 63 64.026 5.270 14.399 426 3HZ LYS 63 HZ3 LYS 63 62.803 5.871 13.387 427 H ILE 64 HN ILE 64 64.338 3.097 7.385 428 HA ILE 64 HA ILE 64 67.328 3.190 7.239 429 HB ILE 64 HB ILE 64 65.507 2.573 4.906 430 1HG1 ILE 64 HG12 ILE 64 66.527 0.165 5.422 431 2HG1 ILE 64 HG11 ILE 64 66.552 0.786 7.073 432 1HG2 ILE 64 HG21 ILE 64 67.809 1.396 4.312 433 2HG2 ILE 64 HG22 ILE 64 68.447 2.559 5.475 434 3HG2 ILE 64 HG23 ILE 64 67.587 3.125 4.043 435 1HD1 ILE 64 HD1 ILE 64 64.050 1.329 5.612 436 2HD1 ILE 64 HD1 ILE 64 64.288 0.742 7.257 437 3HD1 ILE 64 HD1 ILE 64 64.369 -0.382 5.900 438 H SER 65 HN SER 65 68.105 4.870 5.710 439 HA SER 65 HA SER 65 66.117 6.912 4.881 440 1HB SER 65 HB2 SER 65 66.714 8.429 6.478 441 2HB SER 65 HB1 SER 65 67.303 7.018 7.353 442 HG SER 65 HG SER 65 68.696 9.065 6.490 443 H THR 66 HN THR 66 66.713 7.448 2.829 444 HA THR 66 HA THR 66 68.069 7.712 0.909 445 HB THR 66 HB THR 66 70.069 8.778 2.896 446 HG1 THR 66 HG1 THR 66 67.571 9.856 2.112 447 1HG2 THR 66 HG21 THR 66 69.597 8.952 0.047 448 2HG2 THR 66 HG22 THR 66 70.973 9.538 0.983 449 3HG2 THR 66 HG23 THR 66 69.549 10.557 0.779 450 H CYS 67 HN CYS 67 68.302 5.202 1.090 451 HA CYS 67 HA CYS 67 71.217 4.529 1.405 452 1HB CYS 67 HB2 CYS 67 68.760 3.369 2.494 453 2HB CYS 67 HB1 CYS 67 69.725 2.181 1.630 454 H ILE 68 HN ILE 68 71.866 4.553 -0.768 455 HA ILE 68 HA ILE 68 70.368 4.030 -3.061 456 HB ILE 68 HB ILE 68 73.240 3.638 -2.258 457 1HG1 ILE 68 HG12 ILE 68 73.489 5.420 -4.045 458 2HG1 ILE 68 HG11 ILE 68 71.729 5.460 -4.152 459 1HG2 ILE 68 HG21 ILE 68 73.065 1.890 -3.856 460 2HG2 ILE 68 HG22 ILE 68 73.659 3.272 -4.775 461 3HG2 ILE 68 HG23 ILE 68 71.958 2.817 -4.869 462 1HD1 ILE 68 HD1 ILE 68 73.126 5.780 -1.500 463 2HD1 ILE 68 HD1 ILE 68 71.492 6.269 -1.949 464 3HD1 ILE 68 HD1 ILE 68 72.880 7.161 -2.569 465 H ILE 69 HN ILE 69 72.500 1.584 -1.549 466 HA ILE 69 HA ILE 69 72.312 -0.767 -1.479 467 HB ILE 69 HB ILE 69 69.353 -0.131 -1.627 468 1HG1 ILE 69 HG12 ILE 69 71.230 -0.006 0.760 469 2HG1 ILE 69 HG11 ILE 69 70.403 1.363 0.012 470 1HG2 ILE 69 HG21 ILE 69 70.880 -2.290 -0.145 471 2HG2 ILE 69 HG22 ILE 69 70.053 -2.528 -1.684 472 3HG2 ILE 69 HG23 ILE 69 69.129 -2.121 -0.238 473 1HD1 ILE 69 HD1 ILE 69 68.886 -1.019 1.085 474 2HD1 ILE 69 HD1 ILE 69 68.262 0.582 0.689 475 3HD1 ILE 69 HD1 ILE 69 69.294 0.364 2.102 476 H THR 70 HN THR 70 71.551 -2.670 -2.790 477 HA THR 70 HA THR 70 70.502 -1.988 -5.489 478 HB THR 70 HB THR 70 73.095 -3.476 -4.954 479 HG1 THR 70 HG1 THR 70 73.881 -1.522 -6.098 480 1HG2 THR 70 HG21 THR 70 72.427 -4.330 -6.991 481 2HG2 THR 70 HG22 THR 70 73.203 -2.847 -7.548 482 3HG2 THR 70 HG23 THR 70 71.449 -2.915 -7.380 483 H GLY 71 HN GLY 71 72.097 -5.016 -5.259 484 1HA GLY 71 HA2 GLY 71 69.511 -6.407 -5.249 485 2HA GLY 71 HA1 GLY 71 71.091 -7.151 -5.494 486 H GLY 72 HN GLY 72 69.058 -5.687 -2.961 487 1HA GLY 72 HA2 GLY 72 68.874 -6.238 -0.686 488 2HA GLY 72 HA1 GLY 72 69.572 -7.806 -1.104 489 H VAL 73 HN VAL 73 71.501 -5.212 -2.133 490 HA VAL 73 HA VAL 73 73.322 -5.593 0.226 491 HB VAL 73 HB VAL 73 75.111 -5.263 -1.405 492 1HG1 VAL 73 HG11 VAL 73 73.458 -7.030 -3.067 493 2HG1 VAL 73 HG12 VAL 73 73.386 -7.427 -1.350 494 3HG1 VAL 73 HG13 VAL 73 74.941 -7.387 -2.182 495 1HG2 VAL 73 HG21 VAL 73 73.967 -5.214 -3.900 496 2HG2 VAL 73 HG22 VAL 73 74.553 -3.785 -3.050 497 3HG2 VAL 73 HG23 VAL 73 72.842 -4.212 -2.981 498 HA PRO 74 HA PRO 74 72.747 -1.217 0.733 499 1HB PRO 74 HB2 PRO 74 74.582 -0.859 2.720 500 2HB PRO 74 HB1 PRO 74 72.997 -1.599 3.001 501 1HG PRO 74 HG2 PRO 74 75.659 -2.873 2.782 502 2HG PRO 74 HG1 PRO 74 74.253 -3.344 3.746 503 1HD PRO 74 HD2 PRO 74 75.036 -4.528 1.359 504 2HD PRO 74 HD1 PRO 74 73.423 -4.655 2.093 505 H ALA 75 HN ALA 75 73.756 0.550 -0.241 506 HA ALA 75 HA ALA 75 76.296 0.083 -1.651 507 1HB ALA 75 HB1 ALA 75 74.173 1.262 -2.490 508 2HB ALA 75 HB2 ALA 75 75.698 2.094 -2.797 509 3HB ALA 75 HB3 ALA 75 74.656 2.620 -1.474 510 HA PRO 76 HA PRO 76 78.829 2.203 1.248 511 1HB PRO 76 HB2 PRO 76 80.790 3.146 -0.405 512 2HB PRO 76 HB1 PRO 76 80.625 1.432 0.017 513 1HG PRO 76 HG2 PRO 76 79.918 2.835 -2.484 514 2HG PRO 76 HG1 PRO 76 80.443 1.166 -2.231 515 1HD PRO 76 HD2 PRO 76 77.823 2.008 -2.683 516 2HD PRO 76 HD1 PRO 76 78.314 0.422 -2.053 517 H SER 77 HN SER 77 76.636 3.799 0.776 518 HA SER 77 HA SER 77 77.524 6.432 -0.236 519 1HB SER 77 HB2 SER 77 75.215 5.139 -0.435 520 2HB SER 77 HB1 SER 77 74.908 5.894 1.127 521 HG SER 77 HG SER 77 74.364 7.066 -0.949 522 H ALA 78 HN ALA 78 77.355 8.360 1.125 523 HA ALA 78 HA ALA 78 78.314 7.900 3.868 524 1HB ALA 78 HB1 ALA 78 79.231 9.597 2.264 525 2HB ALA 78 HB2 ALA 78 78.696 10.313 3.785 526 3HB ALA 78 HB3 ALA 78 77.689 10.449 2.344 527 H ALA 79 HN ALA 79 75.289 8.445 2.338 528 HA ALA 79 HA ALA 79 74.077 9.485 4.868 529 1HB ALA 79 HB1 ALA 79 72.231 9.432 2.716 530 2HB ALA 79 HB2 ALA 79 73.770 9.966 2.040 531 3HB ALA 79 HB3 ALA 79 73.047 10.845 3.388 532 H CYS 80 HN CYS 80 74.189 6.732 2.725 533 HA CYS 80 HA CYS 80 71.711 5.477 3.413 534 1HB CYS 80 HB2 CYS 80 73.064 4.815 1.509 535 2HB CYS 80 HB1 CYS 80 74.422 4.420 2.559 536 H LYS 81 HN LYS 81 71.102 4.692 5.391 537 HA LYS 81 HA LYS 81 73.146 4.295 7.497 538 1HB LYS 81 HB2 LYS 81 71.211 4.311 8.956 539 2HB LYS 81 HB1 LYS 81 71.000 5.600 7.771 540 1HG LYS 81 HG2 LYS 81 68.982 4.662 7.349 541 2HG LYS 81 HG1 LYS 81 69.886 3.412 6.495 542 1HD LYS 81 HD2 LYS 81 70.041 2.757 9.238 543 2HD LYS 81 HD1 LYS 81 68.360 3.188 8.931 544 1HE LYS 81 HE2 LYS 81 68.238 1.567 7.090 545 2HE LYS 81 HE1 LYS 81 69.957 1.196 7.280 546 1HZ LYS 81 HZ1 LYS 81 68.948 0.993 9.807 547 2HZ LYS 81 HZ2 LYS 81 69.314 -0.307 8.777 548 3HZ LYS 81 HZ3 LYS 81 67.732 0.305 8.847 549 H ILE 82 HN ILE 82 72.103 2.338 9.043 550 HA ILE 82 HA ILE 82 71.164 -0.033 7.745 551 HB ILE 82 HB ILE 82 73.619 0.635 6.855 552 1HG1 ILE 82 HG12 ILE 82 73.920 -1.809 6.353 553 2HG1 ILE 82 HG11 ILE 82 72.562 -2.143 7.429 554 1HG2 ILE 82 HG21 ILE 82 74.405 0.344 9.334 555 2HG2 ILE 82 HG22 ILE 82 75.396 -0.310 8.031 556 3HG2 ILE 82 HG23 ILE 82 74.346 -1.379 8.960 557 1HD1 ILE 82 HD1 ILE 82 71.017 -1.066 6.026 558 2HD1 ILE 82 HD1 ILE 82 72.094 -1.852 4.872 559 3HD1 ILE 82 HD1 ILE 82 72.269 -0.130 5.208 560 H SER 83 HN SER 83 70.741 1.346 10.215 561 HA SER 83 HA SER 83 72.144 0.087 12.401 562 1HB SER 83 HB2 SER 83 69.726 1.814 12.005 563 2HB SER 83 HB1 SER 83 70.004 1.085 13.583 564 HG SER 83 HG SER 83 71.064 3.261 12.724 565 H GLY 84 HN GLY 84 68.680 -0.040 12.629 566 1HA GLY 84 HA2 GLY 84 68.864 -2.967 13.061 567 2HA GLY 84 HA1 GLY 84 67.538 -1.930 13.583 568 H CYS 85 HN CYS 85 69.081 -2.976 10.518 569 HA CYS 85 HA CYS 85 66.471 -3.829 9.504 570 1HB CYS 85 HB2 CYS 85 66.789 -1.242 9.305 571 2HB CYS 85 HB1 CYS 85 67.894 -1.643 7.995 572 H THR 86 HN THR 86 66.919 -4.234 6.907 573 HA THR 86 HA THR 86 69.601 -4.969 6.152 574 HB THR 86 HB THR 86 69.344 -6.581 7.948 575 HG1 THR 86 HG1 THR 86 70.017 -8.179 6.757 576 1HG2 THR 86 HG21 THR 86 66.627 -6.815 6.776 577 2HG2 THR 86 HG22 THR 86 67.143 -6.945 8.458 578 3HG2 THR 86 HG23 THR 86 67.341 -8.316 7.366 579 H PHE 87 HN PHE 87 69.618 -6.116 4.080 580 HA PHE 87 HA PHE 87 66.974 -6.001 2.661 581 1HB PHE 87 HB2 PHE 87 69.692 -5.717 1.372 582 2HB PHE 87 HB1 PHE 87 68.135 -5.143 0.783 583 HD1 PHE 87 HD1 PHE 87 67.182 -3.983 3.486 584 HD2 PHE 87 HD2 PHE 87 70.854 -3.608 1.287 585 HE1 PHE 87 HE1 PHE 87 67.606 -1.788 4.572 586 HE2 PHE 87 HE2 PHE 87 71.270 -1.413 2.367 587 HZ PHE 87 HZ PHE 87 69.648 -0.508 4.007 588 H SER 88 HN SER 88 66.681 -7.664 0.991 589 HA SER 88 HA SER 88 68.573 -9.977 1.148 590 1HB SER 88 HB2 SER 88 65.670 -10.573 1.084 591 2HB SER 88 HB1 SER 88 66.956 -11.361 1.993 592 HG SER 88 HG SER 88 66.845 -9.787 3.515 593 H ALA 89 HN ALA 89 67.635 -7.808 -0.894 594 HA ALA 89 HA ALA 89 67.258 -7.742 -3.226 595 1HB ALA 89 HB1 ALA 89 68.886 -9.974 -2.522 596 2HB ALA 89 HB2 ALA 89 68.849 -9.109 -4.059 597 3HB ALA 89 HB3 ALA 89 67.798 -10.503 -3.804 598 H ASN 90 HN ASN 90 64.903 -7.541 -2.802 599 HA ASN 90 HA ASN 90 63.412 -10.004 -3.633 600 1HB ASN 90 HB2 ASN 90 63.193 -9.552 -1.224 601 2HB ASN 90 HB1 ASN 90 62.659 -7.907 -1.556 602 1HD2 ASN 90 HD2 ASN 90 60.499 -8.195 -0.704 603 2HD2 ASN 90 HD2 ASN 90 59.363 -9.219 -1.440 Start of MODEL 23 1 1H ASP 1 HT1 ASP 1 46.129 6.247 3.955 2 2H ASP 1 HT2 ASP 1 47.641 6.964 4.248 3 3H ASP 1 HT3 ASP 1 47.409 5.310 4.556 4 HA ASP 1 HA ASP 1 48.618 6.039 2.384 5 1HB ASP 1 HB2 ASP 1 47.679 3.962 1.400 6 2HB ASP 1 HB1 ASP 1 48.007 3.763 3.122 7 H GLY 2 HN GLY 2 48.059 6.382 0.096 8 1HA GLY 2 HA2 GLY 2 45.327 7.500 -0.348 9 2HA GLY 2 HA1 GLY 2 46.747 8.426 -0.834 10 H SER 3 HN SER 3 46.881 8.310 -3.026 11 HA SER 3 HA SER 3 46.106 5.808 -4.426 12 1HB SER 3 HB2 SER 3 46.245 7.260 -6.404 13 2HB SER 3 HB1 SER 3 45.315 8.063 -5.141 14 HG SER 3 HG SER 3 47.114 9.247 -6.281 15 H CYS 4 HN CYS 4 48.867 6.978 -2.997 16 HA CYS 4 HA CYS 4 50.828 6.353 -5.070 17 1HB CYS 4 HB2 CYS 4 51.365 7.995 -3.418 18 2HB CYS 4 HB1 CYS 4 50.893 6.921 -2.099 19 H THR 5 HN THR 5 52.261 4.521 -5.048 20 HA THR 5 HA THR 5 52.010 2.363 -3.136 21 HB THR 5 HB THR 5 50.592 2.295 -5.809 22 HG1 THR 5 HG1 THR 5 48.929 2.262 -4.555 23 1HG2 THR 5 HG21 THR 5 51.529 0.231 -6.064 24 2HG2 THR 5 HG22 THR 5 50.324 -0.241 -4.870 25 3HG2 THR 5 HG23 THR 5 51.973 0.113 -4.362 26 H ASN 6 HN ASN 6 52.366 2.011 -6.617 27 HA ASN 6 HA ASN 6 55.049 2.530 -7.090 28 1HB ASN 6 HB2 ASN 6 55.975 0.146 -6.650 29 2HB ASN 6 HB1 ASN 6 55.744 1.213 -5.265 30 1HD2 ASN 6 HD2 ASN 6 55.122 -0.234 -3.618 31 2HD2 ASN 6 HD2 ASN 6 53.809 -1.304 -3.740 32 H THR 7 HN THR 7 52.810 2.446 -8.673 33 HA THR 7 HA THR 7 52.145 1.728 -10.821 34 HB THR 7 HB THR 7 54.488 -0.136 -10.883 35 HG1 THR 7 HG1 THR 7 55.150 2.445 -11.420 36 1HG2 THR 7 HG21 THR 7 54.568 0.463 -13.142 37 2HG2 THR 7 HG22 THR 7 53.779 2.015 -12.859 38 3HG2 THR 7 HG23 THR 7 52.838 0.525 -12.803 39 H ASN 8 HN ASN 8 53.707 -1.178 -9.380 40 HA ASN 8 HA ASN 8 51.940 -3.113 -10.353 41 1HB ASN 8 HB2 ASN 8 53.969 -3.653 -9.138 42 2HB ASN 8 HB1 ASN 8 53.347 -2.886 -7.675 43 1HD2 ASN 8 HD2 ASN 8 51.157 -3.889 -6.887 44 2HD2 ASN 8 HD2 ASN 8 51.008 -5.572 -7.017 45 H SER 9 HN SER 9 51.518 -0.931 -7.602 46 HA SER 9 HA SER 9 49.522 -0.275 -6.528 47 1HB SER 9 HB2 SER 9 47.970 -2.224 -8.184 48 2HB SER 9 HB1 SER 9 47.555 -0.578 -7.719 49 HG SER 9 HG SER 9 48.277 -0.088 -9.629 50 H GLN 10 HN GLN 10 50.987 -2.087 -5.079 51 HA GLN 10 HA GLN 10 48.886 -4.000 -4.108 52 1HB GLN 10 HB2 GLN 10 51.534 -4.472 -5.139 53 2HB GLN 10 HB1 GLN 10 51.473 -4.961 -3.446 54 1HG GLN 10 HG2 GLN 10 49.534 -6.360 -3.859 55 2HG GLN 10 HG1 GLN 10 49.433 -5.795 -5.526 56 1HE2 GLN 10 HE21 GLN 10 50.260 -7.333 -6.942 57 2HE2 GLN 10 HE22 GLN 10 51.581 -8.349 -6.622 58 H LEU 11 HN LEU 11 49.995 -1.191 -3.334 59 HA LEU 11 HA LEU 11 51.408 -1.196 -0.924 60 1HB LEU 11 HB2 LEU 11 50.395 0.696 -2.385 61 2HB LEU 11 HB1 LEU 11 48.946 0.484 -1.401 62 HG LEU 11 HG LEU 11 50.190 0.950 0.631 63 1HD1 LEU 11 HD1 LEU 11 52.328 0.109 0.455 64 2HD1 LEU 11 HD1 LEU 11 52.675 1.798 0.077 65 3HD1 LEU 11 HD1 LEU 11 52.503 0.620 -1.224 66 1HD2 LEU 11 HD2 LEU 11 49.394 2.862 -0.840 67 2HD2 LEU 11 HD2 LEU 11 51.045 2.984 -1.446 68 3HD2 LEU 11 HD2 LEU 11 50.709 3.271 0.261 69 H SER 12 HN SER 12 50.881 -2.987 0.428 70 HA SER 12 HA SER 12 48.467 -4.101 1.137 71 1HB SER 12 HB2 SER 12 49.846 -5.076 2.646 72 2HB SER 12 HB1 SER 12 51.095 -3.939 2.150 73 HG SER 12 HG SER 12 50.705 -3.786 4.378 74 H ALA 13 HN ALA 13 46.752 -3.572 2.563 75 HA ALA 13 HA ALA 13 46.044 -0.809 2.834 76 1HB ALA 13 HB1 ALA 13 44.585 -2.897 2.762 77 2HB ALA 13 HB2 ALA 13 44.140 -1.713 3.990 78 3HB ALA 13 HB3 ALA 13 45.034 -3.163 4.446 79 H ASN 14 HN ASN 14 48.344 -0.367 3.862 80 HA ASN 14 HA ASN 14 47.983 0.397 6.603 81 1HB ASN 14 HB2 ASN 14 48.101 -2.102 6.808 82 2HB ASN 14 HB1 ASN 14 49.712 -2.049 6.098 83 1HD2 ASN 14 HD2 ASN 14 51.216 -0.344 7.330 84 2HD2 ASN 14 HD2 ASN 14 51.140 -0.420 9.022 85 H SER 15 HN SER 15 50.193 -0.449 3.979 86 HA SER 15 HA SER 15 52.606 0.704 4.820 87 1HB SER 15 HB2 SER 15 52.446 -0.478 2.744 88 2HB SER 15 HB1 SER 15 51.182 0.594 2.154 89 HG SER 15 HG SER 15 52.660 2.201 1.904 90 H LYS 16 HN LYS 16 53.401 2.875 3.546 91 HA LYS 16 HA LYS 16 51.360 5.029 3.826 92 1HB LYS 16 HB2 LYS 16 52.900 4.375 5.932 93 2HB LYS 16 HB1 LYS 16 54.028 5.446 5.098 94 1HG LYS 16 HG2 LYS 16 51.730 6.903 4.928 95 2HG LYS 16 HG1 LYS 16 51.491 6.088 6.475 96 1HD LYS 16 HD2 LYS 16 53.384 7.061 7.434 97 2HD LYS 16 HD1 LYS 16 54.142 7.366 5.871 98 1HE LYS 16 HE2 LYS 16 53.414 9.518 6.508 99 2HE LYS 16 HE1 LYS 16 52.068 8.956 5.495 100 1HZ LYS 16 HZ1 LYS 16 52.249 9.102 8.426 101 2HZ LYS 16 HZ2 LYS 16 51.284 7.893 7.722 102 3HZ LYS 16 HZ3 LYS 16 50.963 9.532 7.408 103 H CYS 17 HN CYS 17 52.134 7.083 2.845 104 HA CYS 17 HA CYS 17 54.646 7.324 1.475 105 1HB CYS 17 HB2 CYS 17 53.869 5.517 0.100 106 2HB CYS 17 HB1 CYS 17 52.265 6.236 -0.050 107 H GLU 18 HN GLU 18 54.823 9.393 0.491 108 HA GLU 18 HA GLU 18 52.343 11.071 0.441 109 1HB GLU 18 HB2 GLU 18 53.556 11.413 2.552 110 2HB GLU 18 HB1 GLU 18 55.042 11.742 1.658 111 1HG GLU 18 HG2 GLU 18 53.866 13.656 0.533 112 2HG GLU 18 HG1 GLU 18 52.493 13.380 1.606 113 H LYS 19 HN LYS 19 55.617 10.469 -0.774 114 HA LYS 19 HA LYS 19 54.968 11.677 -3.340 115 1HB LYS 19 HB2 LYS 19 55.448 13.524 -1.509 116 2HB LYS 19 HB1 LYS 19 57.131 13.101 -1.821 117 1HG LYS 19 HG2 LYS 19 56.085 13.300 -4.370 118 2HG LYS 19 HG1 LYS 19 55.240 14.585 -3.504 119 1HD LYS 19 HD2 LYS 19 57.193 15.743 -3.029 120 2HD LYS 19 HD1 LYS 19 58.190 14.290 -3.093 121 1HE LYS 19 HE2 LYS 19 56.831 15.313 -5.588 122 2HE LYS 19 HE1 LYS 19 58.397 15.967 -5.069 123 1HZ LYS 19 HZ1 LYS 19 59.079 14.150 -6.264 124 2HZ LYS 19 HZ2 LYS 19 57.706 13.228 -5.877 125 3HZ LYS 19 HZ3 LYS 19 58.934 13.451 -4.726 126 H SER 20 HN SER 20 56.008 9.130 -2.574 127 HA SER 20 HA SER 20 58.918 9.215 -3.140 128 1HB SER 20 HB2 SER 20 57.476 6.643 -2.912 129 2HB SER 20 HB1 SER 20 58.915 7.199 -2.065 130 HG SER 20 HG SER 20 56.832 6.954 -0.851 131 H THR 21 HN THR 21 59.570 7.266 -4.713 132 HA THR 21 HA THR 21 57.738 7.241 -7.084 133 HB THR 21 HB THR 21 59.310 8.949 -7.593 134 HG1 THR 21 HG1 THR 21 59.220 6.974 -9.035 135 1HG2 THR 21 HG21 THR 21 61.835 8.376 -7.284 136 2HG2 THR 21 HG22 THR 21 61.249 7.148 -6.164 137 3HG2 THR 21 HG23 THR 21 60.897 8.850 -5.868 138 H LEU 22 HN LEU 22 57.303 5.013 -6.288 139 HA LEU 22 HA LEU 22 59.575 3.108 -6.395 140 1HB LEU 22 HB2 LEU 22 56.623 2.776 -5.769 141 2HB LEU 22 HB1 LEU 22 57.870 1.560 -5.500 142 HG LEU 22 HG LEU 22 57.648 4.266 -4.155 143 1HD1 LEU 22 HD1 LEU 22 57.614 1.438 -3.054 144 2HD1 LEU 22 HD1 LEU 22 56.184 2.442 -3.292 145 3HD1 LEU 22 HD1 LEU 22 57.413 2.920 -2.120 146 1HD2 LEU 22 HD2 LEU 22 59.800 2.141 -3.890 147 2HD2 LEU 22 HD2 LEU 22 59.700 3.631 -2.953 148 3HD2 LEU 22 HD2 LEU 22 60.006 3.700 -4.687 149 H THR 23 HN THR 23 58.733 0.889 -7.448 150 HA THR 23 HA THR 23 57.128 1.206 -9.877 151 HB THR 23 HB THR 23 60.141 1.127 -9.842 152 HG1 THR 23 HG1 THR 23 59.345 2.494 -11.819 153 1HG2 THR 23 HG21 THR 23 60.076 0.474 -12.248 154 2HG2 THR 23 HG22 THR 23 58.350 0.153 -12.087 155 3HG2 THR 23 HG23 THR 23 59.515 -0.816 -11.184 156 H ASN 24 HN ASN 24 56.035 -0.711 -9.872 157 HA ASN 24 HA ASN 24 55.602 -3.022 -9.680 158 1HB ASN 24 HB2 ASN 24 58.498 -2.767 -10.417 159 2HB ASN 24 HB1 ASN 24 57.879 -4.359 -9.986 160 1HD2 ASN 24 HD2 ASN 24 58.737 -3.600 -12.680 161 2HD2 ASN 24 HD2 ASN 24 57.372 -3.706 -13.684 162 H CYS 25 HN CYS 25 55.156 -2.425 -7.303 163 HA CYS 25 HA CYS 25 56.948 -4.073 -5.578 164 1HB CYS 25 HB2 CYS 25 56.722 -1.170 -5.617 165 2HB CYS 25 HB1 CYS 25 56.285 -1.815 -4.043 166 H TYR 26 HN TYR 26 55.655 -3.283 -3.162 167 HA TYR 26 HA TYR 26 52.759 -3.628 -3.469 168 1HB TYR 26 HB2 TYR 26 53.091 -5.899 -3.685 169 2HB TYR 26 HB1 TYR 26 54.696 -5.828 -2.966 170 HD1 TYR 26 HD1 TYR 26 54.867 -5.497 -0.430 171 HD2 TYR 26 HD2 TYR 26 51.228 -6.613 -2.419 172 HE1 TYR 26 HE1 TYR 26 53.953 -6.339 1.714 173 HE2 TYR 26 HE2 TYR 26 50.312 -7.451 -0.273 174 HH TYR 26 HH TYR 26 52.205 -8.029 2.429 175 H VAL 27 HN VAL 27 55.612 -3.729 -1.416 176 HA VAL 27 HA VAL 27 56.039 -2.870 0.727 177 HB VAL 27 HB VAL 27 53.768 -1.021 -0.030 178 1HG1 VAL 27 HG11 VAL 27 55.729 0.505 1.046 179 2HG1 VAL 27 HG12 VAL 27 56.030 -1.012 1.897 180 3HG1 VAL 27 HG13 VAL 27 54.449 -0.233 2.011 181 1HG2 VAL 27 HG21 VAL 27 55.505 0.288 -1.241 182 2HG2 VAL 27 HG22 VAL 27 55.269 -1.304 -1.966 183 3HG2 VAL 27 HG23 VAL 27 56.669 -1.001 -0.935 184 H ASP 28 HN ASP 28 55.174 -2.640 2.884 185 HA ASP 28 HA ASP 28 52.414 -3.231 3.550 186 1HB ASP 28 HB2 ASP 28 52.826 -5.444 2.879 187 2HB ASP 28 HB1 ASP 28 54.503 -5.398 3.421 188 H LYS 29 HN LYS 29 52.157 -2.282 5.548 189 HA LYS 29 HA LYS 29 52.786 -1.241 7.586 190 1HB LYS 29 HB2 LYS 29 54.325 -3.857 7.567 191 2HB LYS 29 HB1 LYS 29 54.104 -2.858 9.006 192 1HG LYS 29 HG2 LYS 29 51.580 -2.995 8.489 193 2HG LYS 29 HG1 LYS 29 52.003 -4.316 7.402 194 1HD LYS 29 HD2 LYS 29 53.088 -5.511 9.274 195 2HD LYS 29 HD1 LYS 29 52.653 -4.193 10.364 196 1HE LYS 29 HE2 LYS 29 50.207 -4.647 9.468 197 2HE LYS 29 HE1 LYS 29 50.873 -6.245 9.080 198 1HZ LYS 29 HZ1 LYS 29 49.973 -5.962 11.409 199 2HZ LYS 29 HZ2 LYS 29 51.297 -4.937 11.704 200 3HZ LYS 29 HZ3 LYS 29 51.555 -6.567 11.292 201 H SER 30 HN SER 30 54.259 -0.279 5.350 202 HA SER 30 HA SER 30 56.944 0.198 6.605 203 1HB SER 30 HB2 SER 30 56.148 -0.334 3.735 204 2HB SER 30 HB1 SER 30 57.734 0.280 4.189 205 HG SER 30 HG SER 30 56.762 -2.233 4.300 206 H GLU 31 HN GLU 31 57.874 2.292 6.075 207 HA GLU 31 HA GLU 31 55.849 4.329 5.196 208 1HB GLU 31 HB2 GLU 31 57.429 3.996 7.598 209 2HB GLU 31 HB1 GLU 31 57.865 5.508 6.804 210 1HG GLU 31 HG2 GLU 31 55.307 5.893 6.596 211 2HG GLU 31 HG1 GLU 31 55.166 4.633 7.822 212 H VAL 32 HN VAL 32 56.571 4.499 3.030 213 HA VAL 32 HA VAL 32 59.474 4.955 2.551 214 HB VAL 32 HB VAL 32 57.131 4.546 0.666 215 1HG1 VAL 32 HG11 VAL 32 60.132 4.368 0.246 216 2HG1 VAL 32 HG12 VAL 32 59.071 5.621 -0.398 217 3HG1 VAL 32 HG13 VAL 32 58.911 3.956 -0.959 218 1HG2 VAL 32 HG21 VAL 32 59.219 2.505 1.440 219 2HG2 VAL 32 HG22 VAL 32 57.662 2.235 0.656 220 3HG2 VAL 32 HG23 VAL 32 57.725 2.681 2.362 221 H TYR 33 HN TYR 33 60.100 6.796 1.149 222 HA TYR 33 HA TYR 33 58.120 9.039 1.089 223 1HB TYR 33 HB2 TYR 33 60.842 8.884 2.371 224 2HB TYR 33 HB1 TYR 33 60.189 10.437 1.849 225 HD1 TYR 33 HD1 TYR 33 58.543 11.565 3.125 226 HD2 TYR 33 HD2 TYR 33 59.459 7.451 3.969 227 HE1 TYR 33 HE1 TYR 33 57.153 11.675 5.174 228 HE2 TYR 33 HE2 TYR 33 58.069 7.562 6.018 229 HH TYR 33 HH TYR 33 56.140 10.425 6.777 230 H GLY 34 HN GLY 34 61.389 7.970 0.051 231 1HA GLY 34 HA2 GLY 34 60.791 9.049 -2.647 232 2HA GLY 34 HA1 GLY 34 62.225 9.668 -1.828 233 H THR 35 HN THR 35 61.181 6.349 -1.414 234 HA THR 35 HA THR 35 63.765 5.324 -2.265 235 HB THR 35 HB THR 35 61.098 4.203 -1.405 236 HG1 THR 35 HG1 THR 35 62.651 5.049 0.099 237 1HG2 THR 35 HG21 THR 35 62.015 1.946 -1.544 238 2HG2 THR 35 HG22 THR 35 63.524 2.574 -2.206 239 3HG2 THR 35 HG23 THR 35 62.035 2.689 -3.144 240 H THR 36 HN THR 36 64.143 3.934 -4.102 241 HA THR 36 HA THR 36 62.215 4.358 -6.362 242 HB THR 36 HB THR 36 65.224 3.946 -6.309 243 HG1 THR 36 HG1 THR 36 63.806 6.205 -7.209 244 1HG2 THR 36 HG21 THR 36 65.125 3.510 -8.513 245 2HG2 THR 36 HG22 THR 36 64.141 4.948 -8.790 246 3HG2 THR 36 HG23 THR 36 63.369 3.419 -8.372 247 H CYS 37 HN CYS 37 61.089 2.373 -5.569 248 HA CYS 37 HA CYS 37 62.344 -0.184 -5.341 249 1HB CYS 37 HB2 CYS 37 60.211 0.049 -4.408 250 2HB CYS 37 HB1 CYS 37 59.584 0.911 -5.808 251 H THR 38 HN THR 38 62.444 -1.925 -6.875 252 HA THR 38 HA THR 38 61.963 -1.221 -9.746 253 HB THR 38 HB THR 38 64.456 -2.492 -8.561 254 HG1 THR 38 HG1 THR 38 63.816 0.113 -9.422 255 1HG2 THR 38 HG21 THR 38 64.454 -3.323 -10.706 256 2HG2 THR 38 HG22 THR 38 65.183 -1.749 -11.023 257 3HG2 THR 38 HG23 THR 38 63.465 -2.002 -11.330 258 H GLY 39 HN GLY 39 60.343 -2.879 -8.042 259 1HA GLY 39 HA2 GLY 39 59.208 -4.910 -8.801 260 2HA GLY 39 HA1 GLY 39 60.763 -5.511 -9.375 261 H SER 40 HN SER 40 60.284 -3.962 -6.241 262 HA SER 40 HA SER 40 60.839 -6.609 -4.932 263 1HB SER 40 HB2 SER 40 61.696 -3.839 -4.039 264 2HB SER 40 HB1 SER 40 62.228 -5.378 -3.369 265 HG SER 40 HG SER 40 62.839 -4.174 -5.838 266 H ARG 41 HN ARG 41 60.559 -5.393 -2.277 267 HA ARG 41 HA ARG 41 58.024 -4.071 -1.970 268 1HB ARG 41 HB2 ARG 41 56.766 -6.128 -1.200 269 2HB ARG 41 HB1 ARG 41 57.137 -6.110 -2.923 270 1HG ARG 41 HG2 ARG 41 58.063 -8.145 -2.602 271 2HG ARG 41 HG1 ARG 41 59.382 -7.293 -1.799 272 1HD ARG 41 HD2 ARG 41 58.125 -7.470 0.366 273 2HD ARG 41 HD1 ARG 41 56.913 -8.462 -0.469 274 HE ARG 41 HE ARG 41 59.683 -9.276 0.137 275 1HH1 ARG 41 HH2 ARG 41 56.944 -10.777 0.316 276 2HH1 ARG 41 HH2 ARG 41 57.196 -11.992 -0.893 277 1HH2 ARG 41 HH1 ARG 41 59.954 -10.414 -2.283 278 2HH2 ARG 41 HH1 ARG 41 58.900 -11.786 -2.363 279 H PHE 42 HN PHE 42 57.268 -4.215 0.371 280 HA PHE 42 HA PHE 42 59.582 -4.791 2.195 281 1HB PHE 42 HB2 PHE 42 57.453 -2.659 2.499 282 2HB PHE 42 HB1 PHE 42 58.960 -2.802 3.403 283 HD1 PHE 42 HD1 PHE 42 60.746 -3.591 1.058 284 HD2 PHE 42 HD2 PHE 42 57.795 -0.504 1.518 285 HE1 PHE 42 HE1 PHE 42 61.904 -2.229 -0.663 286 HE2 PHE 42 HE2 PHE 42 58.952 0.860 -0.199 287 HZ PHE 42 HZ PHE 42 61.006 -0.001 -1.289 288 H ASP 43 HN ASP 43 58.403 -4.524 4.616 289 HA ASP 43 HA ASP 43 55.785 -5.702 4.888 290 1HB ASP 43 HB2 ASP 43 57.725 -7.456 4.017 291 2HB ASP 43 HB1 ASP 43 57.771 -7.700 5.764 292 H GLY 44 HN GLY 44 56.990 -3.537 6.141 293 1HA GLY 44 HA2 GLY 44 56.512 -3.121 8.579 294 2HA GLY 44 HA1 GLY 44 57.456 -4.571 8.910 295 H VAL 45 HN VAL 45 57.908 -1.522 7.045 296 HA VAL 45 HA VAL 45 60.547 -1.249 8.430 297 HB VAL 45 HB VAL 45 61.661 -0.954 6.357 298 1HG1 VAL 45 HG11 VAL 45 61.104 -3.297 6.741 299 2HG1 VAL 45 HG12 VAL 45 61.005 -2.945 5.016 300 3HG1 VAL 45 HG13 VAL 45 59.531 -3.074 5.975 301 1HG2 VAL 45 HG21 VAL 45 60.607 0.305 4.809 302 2HG2 VAL 45 HG22 VAL 45 59.027 -0.056 5.501 303 3HG2 VAL 45 HG23 VAL 45 59.746 -1.157 4.324 304 H THR 46 HN THR 46 61.363 0.991 6.967 305 HA THR 46 HA THR 46 59.339 3.089 6.952 306 HB THR 46 HB THR 46 61.402 2.928 9.177 307 HG1 THR 46 HG1 THR 46 58.693 2.334 8.965 308 1HG2 THR 46 HG21 THR 46 60.682 5.226 8.124 309 2HG2 THR 46 HG22 THR 46 60.713 5.046 9.878 310 3HG2 THR 46 HG23 THR 46 59.183 4.945 9.009 311 H ILE 47 HN ILE 47 60.900 2.498 4.884 312 HA ILE 47 HA ILE 47 63.502 3.862 4.980 313 HB ILE 47 HB ILE 47 63.139 1.784 3.736 314 1HG1 ILE 47 HG12 ILE 47 63.454 4.055 1.752 315 2HG1 ILE 47 HG11 ILE 47 64.732 3.557 2.862 316 1HG2 ILE 47 HG21 ILE 47 60.789 3.268 2.818 317 2HG2 ILE 47 HG22 ILE 47 61.077 1.529 2.844 318 3HG2 ILE 47 HG23 ILE 47 61.667 2.500 1.496 319 1HD1 ILE 47 HD1 ILE 47 64.767 1.325 1.913 320 2HD1 ILE 47 HD1 ILE 47 64.906 2.488 0.594 321 3HD1 ILE 47 HD1 ILE 47 63.366 1.689 0.907 322 H THR 48 HN THR 48 63.997 5.467 3.189 323 HA THR 48 HA THR 48 61.676 7.192 2.438 324 HB THR 48 HB THR 48 62.925 9.147 3.298 325 HG1 THR 48 HG1 THR 48 64.944 8.941 3.810 326 1HG2 THR 48 HG21 THR 48 62.643 8.720 5.656 327 2HG2 THR 48 HG22 THR 48 62.796 6.982 5.407 328 3HG2 THR 48 HG23 THR 48 61.381 7.838 4.796 329 H THR 49 HN THR 49 63.620 9.268 1.546 330 HA THR 49 HA THR 49 64.043 8.614 -1.131 331 HB THR 49 HB THR 49 65.899 10.181 0.693 332 HG1 THR 49 HG1 THR 49 64.190 11.366 0.940 333 1HG2 THR 49 HG21 THR 49 66.095 11.543 -1.503 334 2HG2 THR 49 HG22 THR 49 65.443 10.103 -2.283 335 3HG2 THR 49 HG23 THR 49 66.966 10.014 -1.397 336 H SER 50 HN SER 50 65.029 6.716 -1.818 337 HA SER 50 HA SER 50 67.826 6.225 -1.228 338 1HB SER 50 HB2 SER 50 67.119 5.455 0.886 339 2HB SER 50 HB1 SER 50 65.628 4.774 0.240 340 HG SER 50 HG SER 50 66.842 3.157 -0.739 341 H THR 51 HN THR 51 68.610 4.318 -2.427 342 HA THR 51 HA THR 51 66.643 3.409 -4.504 343 HB THR 51 HB THR 51 69.574 3.257 -4.967 344 HG1 THR 51 HG1 THR 51 68.182 5.725 -4.947 345 1HG2 THR 51 HG21 THR 51 67.188 4.228 -6.558 346 2HG2 THR 51 HG22 THR 51 68.032 2.691 -6.749 347 3HG2 THR 51 HG23 THR 51 68.843 4.200 -7.169 348 H SER 52 HN SER 52 66.320 1.212 -4.590 349 HA SER 52 HA SER 52 68.406 -0.620 -3.510 350 1HB SER 52 HB2 SER 52 65.973 -1.607 -2.535 351 2HB SER 52 HB1 SER 52 67.217 -0.795 -1.592 352 HG SER 52 HG SER 52 65.713 0.651 -1.302 353 H THR 53 HN THR 53 68.649 -2.268 -4.976 354 HA THR 53 HA THR 53 66.409 -2.786 -6.890 355 HB THR 53 HB THR 53 69.257 -3.759 -7.112 356 HG1 THR 53 HG1 THR 53 69.500 -1.716 -8.328 357 1HG2 THR 53 HG21 THR 53 68.492 -4.456 -9.105 358 2HG2 THR 53 HG22 THR 53 68.135 -2.783 -9.536 359 3HG2 THR 53 HG23 THR 53 66.904 -3.773 -8.752 360 H GLY 54 HN GLY 54 65.247 -4.637 -6.540 361 1HA GLY 54 HA2 GLY 54 64.647 -6.696 -5.557 362 2HA GLY 54 HA1 GLY 54 66.214 -7.213 -6.184 363 H SER 55 HN SER 55 64.601 -5.814 -3.355 364 HA SER 55 HA SER 55 66.557 -7.154 -1.596 365 1HB SER 55 HB2 SER 55 67.206 -4.999 -0.538 366 2HB SER 55 HB1 SER 55 67.664 -5.055 -2.237 367 HG SER 55 HG SER 55 65.470 -3.734 -1.028 368 H ARG 56 HN ARG 56 65.431 -7.862 0.175 369 HA ARG 56 HA ARG 56 62.715 -6.776 0.683 370 1HB ARG 56 HB2 ARG 56 63.887 -9.292 0.651 371 2HB ARG 56 HB1 ARG 56 63.748 -8.944 2.374 372 1HG ARG 56 HG2 ARG 56 61.383 -8.554 2.187 373 2HG ARG 56 HG1 ARG 56 61.457 -8.605 0.424 374 1HD ARG 56 HD2 ARG 56 60.665 -10.764 1.023 375 2HD ARG 56 HD1 ARG 56 62.403 -11.016 0.764 376 HE ARG 56 HE ARG 56 61.462 -10.325 3.504 377 1HH1 ARG 56 HH2 ARG 56 60.949 -13.202 2.565 378 2HH1 ARG 56 HH2 ARG 56 62.358 -14.000 3.180 379 1HH2 ARG 56 HH1 ARG 56 64.107 -11.058 3.737 380 2HH2 ARG 56 HH1 ARG 56 64.145 -12.786 3.842 381 H ILE 57 HN ILE 57 62.813 -4.944 1.987 382 HA ILE 57 HA ILE 57 64.850 -4.696 4.097 383 HB ILE 57 HB ILE 57 62.501 -3.008 3.173 384 1HG1 ILE 57 HG12 ILE 57 64.988 -1.730 2.794 385 2HG1 ILE 57 HG11 ILE 57 65.224 -3.397 2.268 386 1HG2 ILE 57 HG21 ILE 57 63.706 -1.205 4.510 387 2HG2 ILE 57 HG22 ILE 57 64.633 -2.503 5.261 388 3HG2 ILE 57 HG23 ILE 57 62.883 -2.432 5.471 389 1HD1 ILE 57 HD1 ILE 57 63.112 -1.453 1.303 390 2HD1 ILE 57 HD1 ILE 57 63.095 -3.174 0.918 391 3HD1 ILE 57 HD1 ILE 57 64.425 -2.158 0.361 392 H SER 58 HN SER 58 62.309 -6.626 3.998 393 HA SER 58 HA SER 58 60.451 -6.144 5.974 394 1HB SER 58 HB2 SER 58 61.968 -8.497 4.976 395 2HB SER 58 HB1 SER 58 61.081 -8.727 6.480 396 HG SER 58 HG SER 58 60.032 -8.975 4.219 397 H GLY 59 HN GLY 59 60.452 -6.007 8.227 398 1HA GLY 59 HA2 GLY 59 62.355 -7.070 10.005 399 2HA GLY 59 HA1 GLY 59 62.927 -5.456 9.585 400 HA PRO 60 HA PRO 60 59.659 -5.243 12.925 401 1HB PRO 60 HB2 PRO 60 61.282 -4.496 14.993 402 2HB PRO 60 HB1 PRO 60 60.931 -6.193 14.610 403 1HG PRO 60 HG2 PRO 60 63.350 -4.578 14.011 404 2HG PRO 60 HG1 PRO 60 63.210 -6.289 14.439 405 1HD PRO 60 HD2 PRO 60 63.610 -5.346 11.884 406 2HD PRO 60 HD1 PRO 60 62.900 -6.929 12.275 407 H GLY 61 HN GLY 61 59.751 -3.378 11.070 408 1HA GLY 61 HA2 GLY 61 59.157 -1.038 11.078 409 2HA GLY 61 HA1 GLY 61 60.083 -0.837 12.566 410 H CYS 62 HN CYS 62 61.902 -2.733 10.559 411 HA CYS 62 HA CYS 62 64.218 -1.703 10.119 412 1HB CYS 62 HB2 CYS 62 62.755 -3.335 8.647 413 2HB CYS 62 HB1 CYS 62 62.667 -1.948 7.565 414 H LYS 63 HN LYS 63 65.090 0.330 10.003 415 HA LYS 63 HA LYS 63 63.524 2.483 8.621 416 1HB LYS 63 HB2 LYS 63 65.963 3.059 10.247 417 2HB LYS 63 HB1 LYS 63 64.448 3.949 10.157 418 1HG LYS 63 HG2 LYS 63 64.828 1.292 11.565 419 2HG LYS 63 HG1 LYS 63 64.754 2.862 12.364 420 1HD LYS 63 HD2 LYS 63 62.526 2.138 10.509 421 2HD LYS 63 HD1 LYS 63 62.572 1.356 12.088 422 1HE LYS 63 HE2 LYS 63 63.085 4.244 12.248 423 2HE LYS 63 HE1 LYS 63 61.480 3.853 11.599 424 1HZ LYS 63 HZ1 LYS 63 61.459 3.870 14.025 425 2HZ LYS 63 HZ2 LYS 63 62.678 2.687 14.057 426 3HZ LYS 63 HZ3 LYS 63 61.145 2.314 13.428 427 H ILE 64 HN ILE 64 64.513 3.652 6.926 428 HA ILE 64 HA ILE 64 67.352 3.136 6.272 429 HB ILE 64 HB ILE 64 65.035 2.403 4.453 430 1HG1 ILE 64 HG12 ILE 64 67.036 0.832 6.079 431 2HG1 ILE 64 HG11 ILE 64 65.286 0.635 5.996 432 1HG2 ILE 64 HG21 ILE 64 67.522 3.369 3.718 433 2HG2 ILE 64 HG22 ILE 64 66.492 2.350 2.713 434 3HG2 ILE 64 HG23 ILE 64 67.765 1.622 3.692 435 1HD1 ILE 64 HD1 ILE 64 67.384 -0.478 4.256 436 2HD1 ILE 64 HD1 ILE 64 66.027 0.228 3.378 437 3HD1 ILE 64 HD1 ILE 64 65.744 -1.057 4.552 438 H SER 65 HN SER 65 68.195 5.058 5.589 439 HA SER 65 HA SER 65 66.364 7.001 4.225 440 1HB SER 65 HB2 SER 65 66.760 8.503 5.878 441 2HB SER 65 HB1 SER 65 67.411 7.153 6.803 442 HG SER 65 HG SER 65 69.418 7.739 6.270 443 H THR 66 HN THR 66 67.167 7.312 2.196 444 HA THR 66 HA THR 66 68.726 7.599 0.435 445 HB THR 66 HB THR 66 70.597 8.516 2.613 446 HG1 THR 66 HG1 THR 66 68.551 9.337 3.104 447 1HG2 THR 66 HG21 THR 66 69.953 9.888 0.018 448 2HG2 THR 66 HG22 THR 66 71.061 8.516 0.042 449 3HG2 THR 66 HG23 THR 66 71.432 9.967 0.975 450 H CYS 67 HN CYS 67 68.990 5.258 0.135 451 HA CYS 67 HA CYS 67 71.755 4.355 0.805 452 1HB CYS 67 HB2 CYS 67 69.637 3.579 2.339 453 2HB CYS 67 HB1 CYS 67 69.588 2.341 1.091 454 H ILE 68 HN ILE 68 72.584 3.847 -1.218 455 HA ILE 68 HA ILE 68 70.740 3.020 -3.374 456 HB ILE 68 HB ILE 68 73.753 3.390 -3.272 457 1HG1 ILE 68 HG12 ILE 68 73.098 5.443 -4.667 458 2HG1 ILE 68 HG11 ILE 68 71.443 5.151 -4.132 459 1HG2 ILE 68 HG21 ILE 68 72.748 3.646 -5.888 460 2HG2 ILE 68 HG22 ILE 68 71.949 2.222 -5.214 461 3HG2 ILE 68 HG23 ILE 68 73.712 2.310 -5.253 462 1HD1 ILE 68 HD1 ILE 68 71.921 5.651 -1.918 463 2HD1 ILE 68 HD1 ILE 68 73.024 6.752 -2.746 464 3HD1 ILE 68 HD1 ILE 68 73.625 5.229 -2.087 465 H ILE 69 HN ILE 69 70.178 1.101 -2.054 466 HA ILE 69 HA ILE 69 72.142 -1.033 -1.708 467 HB ILE 69 HB ILE 69 69.112 -1.074 -1.543 468 1HG1 ILE 69 HG12 ILE 69 70.910 -0.550 0.819 469 2HG1 ILE 69 HG11 ILE 69 70.449 0.785 -0.232 470 1HG2 ILE 69 HG21 ILE 69 71.057 -2.617 0.161 471 2HG2 ILE 69 HG22 ILE 69 70.582 -3.221 -1.426 472 3HG2 ILE 69 HG23 ILE 69 69.362 -2.970 -0.177 473 1HD1 ILE 69 HD1 ILE 69 68.218 -0.981 0.531 474 2HD1 ILE 69 HD1 ILE 69 68.300 0.780 0.487 475 3HD1 ILE 69 HD1 ILE 69 68.947 -0.098 1.874 476 H THR 70 HN THR 70 71.876 -3.170 -2.794 477 HA THR 70 HA THR 70 70.256 -3.254 -5.258 478 HB THR 70 HB THR 70 73.289 -3.232 -5.270 479 HG1 THR 70 HG1 THR 70 71.664 -1.469 -6.698 480 1HG2 THR 70 HG21 THR 70 71.563 -3.210 -7.720 481 2HG2 THR 70 HG22 THR 70 71.892 -4.746 -6.914 482 3HG2 THR 70 HG23 THR 70 73.226 -3.767 -7.531 483 H GLY 71 HN GLY 71 69.357 -5.237 -4.534 484 1HA GLY 71 HA2 GLY 71 69.406 -7.623 -4.707 485 2HA GLY 71 HA1 GLY 71 71.168 -7.549 -4.768 486 H GLY 72 HN GLY 72 69.316 -5.866 -2.307 487 1HA GLY 72 HA2 GLY 72 68.996 -6.404 -0.016 488 2HA GLY 72 HA1 GLY 72 69.728 -7.980 -0.317 489 H VAL 73 HN VAL 73 71.524 -5.383 -1.583 490 HA VAL 73 HA VAL 73 73.375 -5.457 0.784 491 HB VAL 73 HB VAL 73 75.180 -5.447 -0.854 492 1HG1 VAL 73 HG11 VAL 73 73.272 -7.518 -0.588 493 2HG1 VAL 73 HG12 VAL 73 74.946 -7.674 -1.118 494 3HG1 VAL 73 HG13 VAL 73 73.664 -7.435 -2.305 495 1HG2 VAL 73 HG21 VAL 73 74.587 -4.160 -2.665 496 2HG2 VAL 73 HG22 VAL 73 72.913 -4.719 -2.641 497 3HG2 VAL 73 HG23 VAL 73 74.174 -5.737 -3.341 498 HA PRO 74 HA PRO 74 72.903 -1.049 0.419 499 1HB PRO 74 HB2 PRO 74 74.461 -0.399 2.561 500 2HB PRO 74 HB1 PRO 74 72.822 -1.047 2.728 501 1HG PRO 74 HG2 PRO 74 75.408 -2.350 3.221 502 2HG PRO 74 HG1 PRO 74 73.810 -2.724 3.876 503 1HD PRO 74 HD2 PRO 74 75.176 -4.076 1.786 504 2HD PRO 74 HD1 PRO 74 73.516 -4.357 2.353 505 H ALA 75 HN ALA 75 74.038 0.067 -1.133 506 HA ALA 75 HA ALA 75 76.856 -0.467 -1.697 507 1HB ALA 75 HB1 ALA 75 76.454 1.073 -3.512 508 2HB ALA 75 HB2 ALA 75 75.068 1.779 -2.681 509 3HB ALA 75 HB3 ALA 75 74.977 0.134 -3.312 510 HA PRO 76 HA PRO 76 78.702 2.686 0.745 511 1HB PRO 76 HB2 PRO 76 80.484 3.871 -0.972 512 2HB PRO 76 HB1 PRO 76 80.737 2.258 -0.277 513 1HG PRO 76 HG2 PRO 76 79.723 3.014 -2.975 514 2HG PRO 76 HG1 PRO 76 80.840 1.719 -2.512 515 1HD PRO 76 HD2 PRO 76 78.227 1.266 -3.068 516 2HD PRO 76 HD1 PRO 76 79.143 0.289 -1.900 517 H SER 77 HN SER 77 76.659 3.890 0.852 518 HA SER 77 HA SER 77 76.131 6.015 -1.107 519 1HB SER 77 HB2 SER 77 74.872 5.200 1.530 520 2HB SER 77 HB1 SER 77 74.185 6.377 0.417 521 HG SER 77 HG SER 77 74.592 3.605 0.072 522 H ALA 78 HN ALA 78 78.136 5.757 1.624 523 HA ALA 78 HA ALA 78 79.075 7.389 3.082 524 1HB ALA 78 HB1 ALA 78 79.630 9.478 1.709 525 2HB ALA 78 HB2 ALA 78 78.713 8.742 0.394 526 3HB ALA 78 HB3 ALA 78 80.163 7.948 1.011 527 H ALA 79 HN ALA 79 76.039 7.220 2.858 528 HA ALA 79 HA ALA 79 75.435 9.690 4.345 529 1HB ALA 79 HB1 ALA 79 73.460 9.968 2.602 530 2HB ALA 79 HB2 ALA 79 74.542 9.064 1.543 531 3HB ALA 79 HB3 ALA 79 75.059 10.607 2.222 532 H CYS 80 HN CYS 80 74.231 6.742 2.767 533 HA CYS 80 HA CYS 80 71.767 6.339 3.997 534 1HB CYS 80 HB2 CYS 80 72.704 4.886 2.307 535 2HB CYS 80 HB1 CYS 80 74.045 4.446 3.350 536 H LYS 81 HN LYS 81 71.316 4.778 5.896 537 HA LYS 81 HA LYS 81 73.138 5.519 8.139 538 1HB LYS 81 HB2 LYS 81 71.243 5.948 9.316 539 2HB LYS 81 HB1 LYS 81 70.489 5.997 7.729 540 1HG LYS 81 HG2 LYS 81 70.692 3.426 9.317 541 2HG LYS 81 HG1 LYS 81 69.350 4.544 9.519 542 1HD LYS 81 HD2 LYS 81 68.470 4.096 7.441 543 2HD LYS 81 HD1 LYS 81 70.041 3.745 6.727 544 1HE LYS 81 HE2 LYS 81 68.487 1.711 7.079 545 2HE LYS 81 HE1 LYS 81 70.115 1.562 7.772 546 1HZ LYS 81 HZ1 LYS 81 69.351 2.203 9.888 547 2HZ LYS 81 HZ2 LYS 81 68.204 1.079 9.342 548 3HZ LYS 81 HZ3 LYS 81 67.859 2.739 9.289 549 H ILE 82 HN ILE 82 71.536 2.721 6.643 550 HA ILE 82 HA ILE 82 71.588 0.419 7.298 551 HB ILE 82 HB ILE 82 74.395 1.523 7.129 552 1HG1 ILE 82 HG12 ILE 82 73.442 -0.530 5.249 553 2HG1 ILE 82 HG11 ILE 82 72.476 0.946 5.230 554 1HG2 ILE 82 HG21 ILE 82 74.651 -1.198 6.744 555 2HG2 ILE 82 HG22 ILE 82 73.522 -1.116 8.096 556 3HG2 ILE 82 HG23 ILE 82 75.102 -0.342 8.219 557 1HD1 ILE 82 HD1 ILE 82 75.175 1.778 5.356 558 2HD1 ILE 82 HD1 ILE 82 74.077 1.920 3.983 559 3HD1 ILE 82 HD1 ILE 82 75.112 0.501 4.142 560 H SER 83 HN SER 83 70.544 0.834 9.500 561 HA SER 83 HA SER 83 72.567 0.495 11.692 562 1HB SER 83 HB2 SER 83 69.890 1.921 11.664 563 2HB SER 83 HB1 SER 83 70.922 1.751 13.081 564 HG SER 83 HG SER 83 71.591 3.626 12.270 565 H GLY 84 HN GLY 84 69.174 0.353 12.399 566 1HA GLY 84 HA2 GLY 84 69.483 -2.483 13.162 567 2HA GLY 84 HA1 GLY 84 68.135 -1.432 13.601 568 H CYS 85 HN CYS 85 69.113 -1.449 10.272 569 HA CYS 85 HA CYS 85 66.529 -2.751 9.598 570 1HB CYS 85 HB2 CYS 85 68.051 -0.576 8.639 571 2HB CYS 85 HB1 CYS 85 68.094 -1.789 7.364 572 H THR 86 HN THR 86 67.136 -3.685 7.057 573 HA THR 86 HA THR 86 69.454 -5.308 6.789 574 HB THR 86 HB THR 86 68.786 -6.465 8.756 575 HG1 THR 86 HG1 THR 86 67.623 -7.919 6.626 576 1HG2 THR 86 HG21 THR 86 66.073 -5.934 7.683 577 2HG2 THR 86 HG22 THR 86 66.643 -5.927 9.352 578 3HG2 THR 86 HG23 THR 86 66.273 -7.455 8.553 579 H PHE 87 HN PHE 87 69.352 -6.516 4.846 580 HA PHE 87 HA PHE 87 66.762 -6.282 3.346 581 1HB PHE 87 HB2 PHE 87 69.398 -6.476 1.944 582 2HB PHE 87 HB1 PHE 87 67.947 -5.602 1.470 583 HD1 PHE 87 HD1 PHE 87 67.447 -4.032 4.027 584 HD2 PHE 87 HD2 PHE 87 71.056 -4.805 1.809 585 HE1 PHE 87 HE1 PHE 87 68.455 -1.931 4.930 586 HE2 PHE 87 HE2 PHE 87 72.047 -2.725 2.708 587 HZ PHE 87 HZ PHE 87 70.753 -1.291 4.260 588 H SER 88 HN SER 88 66.768 -8.000 1.467 589 HA SER 88 HA SER 88 68.244 -10.483 2.127 590 1HB SER 88 HB2 SER 88 65.764 -9.932 3.264 591 2HB SER 88 HB1 SER 88 65.358 -10.948 1.883 592 HG SER 88 HG SER 88 66.505 -12.568 2.721 593 H ALA 89 HN ALA 89 67.789 -8.506 -0.180 594 HA ALA 89 HA ALA 89 67.416 -8.608 -2.517 595 1HB ALA 89 HB1 ALA 89 68.851 -10.187 -3.328 596 2HB ALA 89 HB2 ALA 89 67.985 -11.503 -2.537 597 3HB ALA 89 HB3 ALA 89 69.154 -10.545 -1.628 598 H ASN 90 HN ASN 90 64.971 -8.584 -1.538 599 HA ASN 90 HA ASN 90 63.331 -10.871 -1.618 600 1HB ASN 90 HB2 ASN 90 61.675 -9.309 -1.341 601 2HB ASN 90 HB1 ASN 90 63.035 -8.214 -1.134 602 1HD2 ASN 90 HD2 ASN 90 63.903 -7.924 -3.821 603 2HD2 ASN 90 HD2 ASN 90 62.671 -7.182 -4.723 Start of MODEL 24 1 1H ASP 1 HT1 ASP 1 48.962 9.033 3.277 2 2H ASP 1 HT2 ASP 1 48.538 7.974 2.019 3 3H ASP 1 HT3 ASP 1 50.106 7.940 2.668 4 HA ASP 1 HA ASP 1 49.481 6.402 4.138 5 1HB ASP 1 HB2 ASP 1 48.013 7.176 5.933 6 2HB ASP 1 HB1 ASP 1 49.049 8.511 5.425 7 H GLY 2 HN GLY 2 48.336 6.060 1.564 8 1HA GLY 2 HA2 GLY 2 45.855 4.600 2.313 9 2HA GLY 2 HA1 GLY 2 45.785 5.719 0.950 10 H SER 3 HN SER 3 45.534 4.246 -0.729 11 HA SER 3 HA SER 3 47.688 2.176 -1.022 12 1HB SER 3 HB2 SER 3 45.573 1.116 -0.770 13 2HB SER 3 HB1 SER 3 44.767 2.304 -1.792 14 HG SER 3 HG SER 3 45.896 -0.002 -2.490 15 H CYS 4 HN CYS 4 49.180 3.129 -2.403 16 HA CYS 4 HA CYS 4 48.232 4.780 -4.677 17 1HB CYS 4 HB2 CYS 4 50.798 4.211 -3.240 18 2HB CYS 4 HB1 CYS 4 50.885 4.824 -4.891 19 H THR 5 HN THR 5 49.017 1.530 -4.038 20 HA THR 5 HA THR 5 49.069 -0.327 -5.500 21 HB THR 5 HB THR 5 48.871 1.657 -7.770 22 HG1 THR 5 HG1 THR 5 47.005 0.966 -5.805 23 1HG2 THR 5 HG21 THR 5 47.273 -0.303 -8.489 24 2HG2 THR 5 HG22 THR 5 48.180 -1.219 -7.286 25 3HG2 THR 5 HG23 THR 5 49.019 -0.491 -8.656 26 H ASN 6 HN ASN 6 51.398 1.849 -5.044 27 HA ASN 6 HA ASN 6 53.627 2.150 -5.863 28 1HB ASN 6 HB2 ASN 6 54.770 0.016 -5.636 29 2HB ASN 6 HB1 ASN 6 53.438 0.033 -4.479 30 1HD2 ASN 6 HD2 ASN 6 54.618 -1.435 -7.447 31 2HD2 ASN 6 HD2 ASN 6 53.384 -2.589 -7.587 32 H THR 7 HN THR 7 51.840 2.539 -7.990 33 HA THR 7 HA THR 7 52.129 2.832 -10.338 34 HB THR 7 HB THR 7 54.088 0.547 -10.352 35 HG1 THR 7 HG1 THR 7 54.350 3.084 -9.207 36 1HG2 THR 7 HG21 THR 7 53.229 1.883 -12.407 37 2HG2 THR 7 HG22 THR 7 54.967 1.635 -12.243 38 3HG2 THR 7 HG23 THR 7 54.251 3.184 -11.797 39 H ASN 8 HN ASN 8 51.886 -0.442 -8.928 40 HA ASN 8 HA ASN 8 49.476 -1.012 -10.385 41 1HB ASN 8 HB2 ASN 8 51.590 -0.974 -12.039 42 2HB ASN 8 HB1 ASN 8 51.697 -2.646 -11.494 43 1HD2 ASN 8 HD2 ASN 8 49.738 -0.369 -13.335 44 2HD2 ASN 8 HD2 ASN 8 48.657 -1.519 -13.956 45 H SER 9 HN SER 9 50.308 -1.502 -7.678 46 HA SER 9 HA SER 9 49.686 -4.361 -7.530 47 1HB SER 9 HB2 SER 9 52.227 -3.644 -6.138 48 2HB SER 9 HB1 SER 9 51.736 -5.169 -6.860 49 HG SER 9 HG SER 9 52.584 -4.553 -8.680 50 H GLN 10 HN GLN 10 51.185 -4.083 -4.713 51 HA GLN 10 HA GLN 10 48.838 -2.730 -3.427 52 1HB GLN 10 HB2 GLN 10 50.561 -5.109 -2.785 53 2HB GLN 10 HB1 GLN 10 49.691 -4.286 -1.490 54 1HG GLN 10 HG2 GLN 10 47.705 -5.143 -2.145 55 2HG GLN 10 HG1 GLN 10 48.009 -4.745 -3.837 56 1HE2 GLN 10 HE21 GLN 10 49.474 -6.307 -5.049 57 2HE2 GLN 10 HE22 GLN 10 49.468 -7.940 -4.588 58 H LEU 11 HN LEU 11 49.744 -2.420 -0.888 59 HA LEU 11 HA LEU 11 52.396 -1.203 -0.751 60 1HB LEU 11 HB2 LEU 11 50.491 0.300 -1.960 61 2HB LEU 11 HB1 LEU 11 50.172 0.732 -0.286 62 HG LEU 11 HG LEU 11 51.838 2.237 -0.433 63 1HD1 LEU 11 HD1 LEU 11 53.147 0.137 0.419 64 2HD1 LEU 11 HD1 LEU 11 54.049 1.559 -0.107 65 3HD1 LEU 11 HD1 LEU 11 53.885 0.170 -1.183 66 1HD2 LEU 11 HD2 LEU 11 53.043 2.613 -2.478 67 2HD2 LEU 11 HD2 LEU 11 51.420 2.075 -2.913 68 3HD2 LEU 11 HD2 LEU 11 52.774 0.951 -3.003 69 H SER 12 HN SER 12 51.943 -3.020 0.945 70 HA SER 12 HA SER 12 51.418 -3.678 3.161 71 1HB SER 12 HB2 SER 12 52.048 -1.657 4.696 72 2HB SER 12 HB1 SER 12 53.281 -2.325 3.633 73 HG SER 12 HG SER 12 52.161 0.129 3.660 74 H ALA 13 HN ALA 13 49.144 -2.346 1.537 75 HA ALA 13 HA ALA 13 46.996 -1.420 1.946 76 1HB ALA 13 HB1 ALA 13 47.601 -3.743 3.452 77 2HB ALA 13 HB2 ALA 13 46.006 -3.176 2.956 78 3HB ALA 13 HB3 ALA 13 46.671 -2.688 4.515 79 H ASN 14 HN ASN 14 49.406 0.010 3.231 80 HA ASN 14 HA ASN 14 48.047 2.135 4.530 81 1HB ASN 14 HB2 ASN 14 48.630 1.630 6.889 82 2HB ASN 14 HB1 ASN 14 47.570 0.389 6.229 83 1HD2 ASN 14 HD2 ASN 14 48.308 -1.476 7.329 84 2HD2 ASN 14 HD2 ASN 14 49.914 -2.026 7.283 85 H SER 15 HN SER 15 50.388 1.443 2.767 86 HA SER 15 HA SER 15 52.840 2.043 4.159 87 1HB SER 15 HB2 SER 15 53.491 1.229 2.152 88 2HB SER 15 HB1 SER 15 51.859 1.412 1.526 89 HG SER 15 HG SER 15 52.336 3.482 0.909 90 H LYS 16 HN LYS 16 54.039 4.114 2.812 91 HA LYS 16 HA LYS 16 52.298 6.472 3.470 92 1HB LYS 16 HB2 LYS 16 54.948 5.593 4.305 93 2HB LYS 16 HB1 LYS 16 54.997 7.218 3.619 94 1HG LYS 16 HG2 LYS 16 54.469 7.700 5.832 95 2HG LYS 16 HG1 LYS 16 52.856 7.578 5.128 96 1HD LYS 16 HD2 LYS 16 52.376 5.638 6.229 97 2HD LYS 16 HD1 LYS 16 54.020 5.022 6.062 98 1HE LYS 16 HE2 LYS 16 53.905 5.439 8.372 99 2HE LYS 16 HE1 LYS 16 54.589 6.965 7.779 100 1HZ LYS 16 HZ1 LYS 16 52.564 7.184 9.238 101 2HZ LYS 16 HZ2 LYS 16 51.670 6.482 7.976 102 3HZ LYS 16 HZ3 LYS 16 52.468 7.962 7.734 103 H CYS 17 HN CYS 17 51.649 7.234 1.469 104 HA CYS 17 HA CYS 17 53.512 7.163 -0.828 105 1HB CYS 17 HB2 CYS 17 50.849 6.766 -0.545 106 2HB CYS 17 HB1 CYS 17 50.850 8.478 -0.969 107 H GLU 18 HN GLU 18 52.026 9.649 -1.836 108 HA GLU 18 HA GLU 18 52.355 11.994 -1.847 109 1HB GLU 18 HB2 GLU 18 52.373 11.104 0.877 110 2HB GLU 18 HB1 GLU 18 53.617 12.342 0.696 111 1HG GLU 18 HG2 GLU 18 51.675 13.589 1.170 112 2HG GLU 18 HG1 GLU 18 51.797 13.677 -0.587 113 H LYS 19 HN LYS 19 54.016 12.348 -3.313 114 HA LYS 19 HA LYS 19 56.220 12.845 -4.031 115 1HB LYS 19 HB2 LYS 19 56.016 13.676 -1.451 116 2HB LYS 19 HB1 LYS 19 57.298 12.476 -1.285 117 1HG LYS 19 HG2 LYS 19 58.798 13.829 -2.284 118 2HG LYS 19 HG1 LYS 19 57.710 14.126 -3.640 119 1HD LYS 19 HD2 LYS 19 56.544 15.860 -2.391 120 2HD LYS 19 HD1 LYS 19 57.496 15.504 -0.949 121 1HE LYS 19 HE2 LYS 19 59.549 16.225 -2.075 122 2HE LYS 19 HE1 LYS 19 58.648 16.503 -3.580 123 1HZ LYS 19 HZ1 LYS 19 57.527 17.714 -1.190 124 2HZ LYS 19 HZ2 LYS 19 57.661 18.340 -2.763 125 3HZ LYS 19 HZ3 LYS 19 58.996 18.382 -1.713 126 H SER 20 HN SER 20 55.478 10.275 -4.486 127 HA SER 20 HA SER 20 57.777 8.619 -3.504 128 1HB SER 20 HB2 SER 20 55.044 7.710 -4.436 129 2HB SER 20 HB1 SER 20 56.262 6.739 -3.614 130 HG SER 20 HG SER 20 54.912 9.016 -2.577 131 H THR 21 HN THR 21 58.689 7.128 -5.042 132 HA THR 21 HA THR 21 57.899 7.391 -7.891 133 HB THR 21 HB THR 21 60.710 7.973 -6.908 134 HG1 THR 21 HG1 THR 21 58.603 9.734 -7.615 135 1HG2 THR 21 HG21 THR 21 60.959 7.443 -9.137 136 2HG2 THR 21 HG22 THR 21 60.544 9.150 -9.298 137 3HG2 THR 21 HG23 THR 21 59.308 7.915 -9.543 138 H LEU 22 HN LEU 22 57.383 5.086 -7.412 139 HA LEU 22 HA LEU 22 59.844 3.367 -7.352 140 1HB LEU 22 HB2 LEU 22 58.059 1.735 -6.292 141 2HB LEU 22 HB1 LEU 22 58.808 2.979 -5.295 142 HG LEU 22 HG LEU 22 56.310 3.676 -6.789 143 1HD1 LEU 22 HD1 LEU 22 55.522 1.668 -5.857 144 2HD1 LEU 22 HD1 LEU 22 55.093 2.870 -4.641 145 3HD1 LEU 22 HD1 LEU 22 56.509 1.842 -4.408 146 1HD2 LEU 22 HD2 LEU 22 57.875 4.586 -4.442 147 2HD2 LEU 22 HD2 LEU 22 56.123 4.681 -4.263 148 3HD2 LEU 22 HD2 LEU 22 56.920 5.526 -5.589 149 H THR 23 HN THR 23 58.589 0.936 -7.886 150 HA THR 23 HA THR 23 56.841 1.121 -10.218 151 HB THR 23 HB THR 23 59.819 0.621 -10.446 152 HG1 THR 23 HG1 THR 23 59.534 2.651 -10.955 153 1HG2 THR 23 HG21 THR 23 58.683 -1.176 -11.654 154 2HG2 THR 23 HG22 THR 23 59.370 -0.029 -12.804 155 3HG2 THR 23 HG23 THR 23 57.640 -0.003 -12.459 156 H ASN 24 HN ASN 24 55.579 -0.640 -9.730 157 HA ASN 24 HA ASN 24 54.986 -2.870 -9.227 158 1HB ASN 24 HB2 ASN 24 57.707 -2.965 -10.476 159 2HB ASN 24 HB1 ASN 24 57.070 -4.446 -9.765 160 1HD2 ASN 24 HD2 ASN 24 55.074 -1.916 -11.303 161 2HD2 ASN 24 HD2 ASN 24 54.550 -2.886 -12.594 162 H CYS 25 HN CYS 25 54.795 -3.715 -7.191 163 HA CYS 25 HA CYS 25 56.901 -4.591 -5.516 164 1HB CYS 25 HB2 CYS 25 56.452 -1.708 -5.606 165 2HB CYS 25 HB1 CYS 25 56.263 -2.336 -3.971 166 H TYR 26 HN TYR 26 55.972 -4.193 -2.997 167 HA TYR 26 HA TYR 26 53.032 -4.689 -3.016 168 1HB TYR 26 HB2 TYR 26 53.835 -6.898 -3.137 169 2HB TYR 26 HB1 TYR 26 55.284 -6.520 -2.210 170 HD1 TYR 26 HD1 TYR 26 55.376 -7.144 0.028 171 HD2 TYR 26 HD2 TYR 26 51.546 -6.548 -1.825 172 HE1 TYR 26 HE1 TYR 26 54.253 -7.901 2.105 173 HE2 TYR 26 HE2 TYR 26 50.424 -7.304 0.253 174 HH TYR 26 HH TYR 26 50.770 -7.674 2.499 175 H VAL 27 HN VAL 27 55.981 -4.404 -1.070 176 HA VAL 27 HA VAL 27 56.411 -3.268 0.945 177 HB VAL 27 HB VAL 27 53.948 -1.670 0.221 178 1HG1 VAL 27 HG11 VAL 27 54.735 -0.446 1.945 179 2HG1 VAL 27 HG12 VAL 27 56.121 -0.043 0.930 180 3HG1 VAL 27 HG13 VAL 27 56.206 -1.416 2.038 181 1HG2 VAL 27 HG21 VAL 27 55.053 -1.785 -1.872 182 2HG2 VAL 27 HG22 VAL 27 56.652 -1.790 -1.124 183 3HG2 VAL 27 HG23 VAL 27 55.695 -0.309 -1.147 184 H ASP 28 HN ASP 28 55.940 -3.751 3.036 185 HA ASP 28 HA ASP 28 53.110 -4.354 3.797 186 1HB ASP 28 HB2 ASP 28 55.262 -6.190 3.413 187 2HB ASP 28 HB1 ASP 28 54.947 -6.107 5.146 188 H LYS 29 HN LYS 29 52.625 -3.139 5.586 189 HA LYS 29 HA LYS 29 52.997 -1.661 7.412 190 1HB LYS 29 HB2 LYS 29 54.406 -4.264 7.825 191 2HB LYS 29 HB1 LYS 29 54.731 -2.981 8.991 192 1HG LYS 29 HG2 LYS 29 52.207 -2.694 9.193 193 2HG LYS 29 HG1 LYS 29 52.054 -4.199 8.286 194 1HD LYS 29 HD2 LYS 29 53.910 -4.193 10.621 195 2HD LYS 29 HD1 LYS 29 52.180 -4.175 10.963 196 1HE LYS 29 HE2 LYS 29 52.439 -6.462 10.765 197 2HE LYS 29 HE1 LYS 29 52.253 -6.096 9.038 198 1HZ LYS 29 HZ1 LYS 29 54.693 -5.704 8.979 199 2HZ LYS 29 HZ2 LYS 29 54.270 -7.316 9.301 200 3HZ LYS 29 HZ3 LYS 29 54.794 -6.306 10.562 201 H SER 30 HN SER 30 54.412 -0.587 5.340 202 HA SER 30 HA SER 30 57.043 0.093 6.613 203 1HB SER 30 HB2 SER 30 56.373 -0.727 3.784 204 2HB SER 30 HB1 SER 30 57.859 0.135 4.169 205 HG SER 30 HG SER 30 57.131 -2.118 5.675 206 H GLU 31 HN GLU 31 57.909 2.191 5.808 207 HA GLU 31 HA GLU 31 55.705 4.141 5.349 208 1HB GLU 31 HB2 GLU 31 57.971 4.028 6.972 209 2HB GLU 31 HB1 GLU 31 58.425 5.159 5.697 210 1HG GLU 31 HG2 GLU 31 56.551 6.573 6.154 211 2HG GLU 31 HG1 GLU 31 55.801 5.357 7.189 212 H VAL 32 HN VAL 32 59.105 4.069 4.258 213 HA VAL 32 HA VAL 32 60.036 4.469 2.124 214 HB VAL 32 HB VAL 32 57.290 3.595 1.187 215 1HG1 VAL 32 HG11 VAL 32 58.999 4.460 -0.482 216 2HG1 VAL 32 HG12 VAL 32 58.452 2.807 -0.764 217 3HG1 VAL 32 HG13 VAL 32 60.024 3.100 -0.019 218 1HG2 VAL 32 HG21 VAL 32 59.018 2.212 2.928 219 2HG2 VAL 32 HG22 VAL 32 59.288 1.498 1.340 220 3HG2 VAL 32 HG23 VAL 32 57.664 1.533 2.025 221 H TYR 33 HN TYR 33 60.248 6.305 0.874 222 HA TYR 33 HA TYR 33 57.876 8.081 0.510 223 1HB TYR 33 HB2 TYR 33 60.533 8.679 1.820 224 2HB TYR 33 HB1 TYR 33 59.541 9.966 1.138 225 HD1 TYR 33 HD1 TYR 33 57.388 10.562 2.120 226 HD2 TYR 33 HD2 TYR 33 59.765 7.380 3.759 227 HE1 TYR 33 HE1 TYR 33 55.975 10.557 4.158 228 HE2 TYR 33 HE2 TYR 33 58.351 7.376 5.797 229 HH TYR 33 HH TYR 33 56.841 9.206 6.990 230 H GLY 34 HN GLY 34 61.318 8.729 -0.088 231 1HA GLY 34 HA2 GLY 34 60.677 9.072 -2.968 232 2HA GLY 34 HA1 GLY 34 62.147 9.637 -2.169 233 H THR 35 HN THR 35 60.884 6.409 -1.673 234 HA THR 35 HA THR 35 63.404 5.190 -2.437 235 HB THR 35 HB THR 35 60.700 4.379 -1.443 236 HG1 THR 35 HG1 THR 35 63.029 4.814 -0.421 237 1HG2 THR 35 HG21 THR 35 62.721 2.416 -2.565 238 2HG2 THR 35 HG22 THR 35 61.114 2.730 -3.220 239 3HG2 THR 35 HG23 THR 35 61.288 1.983 -1.632 240 H THR 36 HN THR 36 63.576 3.507 -4.134 241 HA THR 36 HA THR 36 61.867 4.132 -6.522 242 HB THR 36 HB THR 36 64.732 3.141 -6.332 243 HG1 THR 36 HG1 THR 36 64.952 5.182 -5.815 244 1HG2 THR 36 HG21 THR 36 63.014 4.039 -8.659 245 2HG2 THR 36 HG22 THR 36 63.705 2.437 -8.404 246 3HG2 THR 36 HG23 THR 36 64.759 3.806 -8.757 247 H CYS 37 HN CYS 37 60.711 2.288 -4.965 248 HA CYS 37 HA CYS 37 61.397 -0.367 -4.816 249 1HB CYS 37 HB2 CYS 37 59.095 1.203 -4.711 250 2HB CYS 37 HB1 CYS 37 58.723 -0.002 -5.940 251 H THR 38 HN THR 38 62.723 -1.168 -6.513 252 HA THR 38 HA THR 38 61.791 -0.973 -9.312 253 HB THR 38 HB THR 38 64.193 -2.316 -8.028 254 HG1 THR 38 HG1 THR 38 63.785 0.250 -9.155 255 1HG2 THR 38 HG21 THR 38 64.894 -1.600 -10.578 256 2HG2 THR 38 HG22 THR 38 63.207 -2.068 -10.793 257 3HG2 THR 38 HG23 THR 38 64.359 -3.214 -10.106 258 H GLY 39 HN GLY 39 59.934 -2.425 -7.831 259 1HA GLY 39 HA2 GLY 39 58.724 -4.425 -8.289 260 2HA GLY 39 HA1 GLY 39 60.146 -5.069 -9.112 261 H SER 40 HN SER 40 60.484 -3.655 -5.953 262 HA SER 40 HA SER 40 61.217 -6.336 -4.875 263 1HB SER 40 HB2 SER 40 62.345 -4.959 -3.155 264 2HB SER 40 HB1 SER 40 62.821 -4.456 -4.774 265 HG SER 40 HG SER 40 62.248 -2.581 -3.916 266 H ARG 41 HN ARG 41 60.866 -5.516 -2.119 267 HA ARG 41 HA ARG 41 58.092 -4.753 -1.662 268 1HB ARG 41 HB2 ARG 41 57.306 -6.960 -0.984 269 2HB ARG 41 HB1 ARG 41 57.946 -7.068 -2.624 270 1HG ARG 41 HG2 ARG 41 59.645 -8.433 -1.997 271 2HG ARG 41 HG1 ARG 41 59.966 -7.511 -0.529 272 1HD ARG 41 HD2 ARG 41 58.642 -8.866 0.751 273 2HD ARG 41 HD1 ARG 41 57.408 -9.007 -0.517 274 HE ARG 41 HE ARG 41 59.966 -10.560 -0.486 275 1HH1 ARG 41 HH2 ARG 41 58.847 -10.295 -3.203 276 2HH1 ARG 41 HH2 ARG 41 57.778 -11.652 -3.316 277 1HH2 ARG 41 HH1 ARG 41 57.667 -12.184 0.110 278 2HH2 ARG 41 HH1 ARG 41 57.109 -12.724 -1.439 279 H PHE 42 HN PHE 42 57.628 -4.654 0.656 280 HA PHE 42 HA PHE 42 60.090 -4.878 2.356 281 1HB PHE 42 HB2 PHE 42 57.754 -2.968 2.634 282 2HB PHE 42 HB1 PHE 42 59.295 -2.893 3.490 283 HD1 PHE 42 HD1 PHE 42 57.895 -0.817 1.546 284 HD2 PHE 42 HD2 PHE 42 61.033 -3.711 1.090 285 HE1 PHE 42 HE1 PHE 42 58.857 0.520 -0.305 286 HE2 PHE 42 HE2 PHE 42 61.999 -2.371 -0.759 287 HZ PHE 42 HZ PHE 42 60.909 -0.257 -1.456 288 H ASP 43 HN ASP 43 59.358 -4.913 4.793 289 HA ASP 43 HA ASP 43 56.816 -6.315 5.303 290 1HB ASP 43 HB2 ASP 43 59.284 -7.677 4.739 291 2HB ASP 43 HB1 ASP 43 58.861 -7.956 6.429 292 H GLY 44 HN GLY 44 57.212 -3.972 6.390 293 1HA GLY 44 HA2 GLY 44 56.963 -3.213 8.667 294 2HA GLY 44 HA1 GLY 44 57.947 -4.577 9.200 295 H VAL 45 HN VAL 45 58.268 -1.655 7.120 296 HA VAL 45 HA VAL 45 60.956 -1.254 8.383 297 HB VAL 45 HB VAL 45 61.979 -1.054 6.274 298 1HG1 VAL 45 HG11 VAL 45 61.414 -3.061 5.073 299 2HG1 VAL 45 HG12 VAL 45 59.773 -3.049 5.717 300 3HG1 VAL 45 HG13 VAL 45 61.137 -3.384 6.784 301 1HG2 VAL 45 HG21 VAL 45 60.843 0.344 4.877 302 2HG2 VAL 45 HG22 VAL 45 59.269 -0.214 5.444 303 3HG2 VAL 45 HG23 VAL 45 60.154 -1.147 4.236 304 H THR 46 HN THR 46 61.645 1.004 6.878 305 HA THR 46 HA THR 46 59.522 3.006 6.913 306 HB THR 46 HB THR 46 61.646 2.920 9.083 307 HG1 THR 46 HG1 THR 46 60.110 2.119 10.248 308 1HG2 THR 46 HG21 THR 46 60.532 5.170 7.887 309 2HG2 THR 46 HG22 THR 46 61.287 5.112 9.480 310 3HG2 THR 46 HG23 THR 46 59.540 4.926 9.326 311 H ILE 47 HN ILE 47 61.137 2.386 4.823 312 HA ILE 47 HA ILE 47 63.610 3.948 4.791 313 HB ILE 47 HB ILE 47 63.286 1.842 3.551 314 1HG1 ILE 47 HG12 ILE 47 63.424 4.023 1.473 315 2HG1 ILE 47 HG11 ILE 47 64.708 3.844 2.669 316 1HG2 ILE 47 HG21 ILE 47 61.441 1.434 2.314 317 2HG2 ILE 47 HG22 ILE 47 61.601 2.961 1.446 318 3HG2 ILE 47 HG23 ILE 47 60.773 2.915 3.002 319 1HD1 ILE 47 HD1 ILE 47 64.206 1.241 1.732 320 2HD1 ILE 47 HD1 ILE 47 65.605 2.247 1.358 321 3HD1 ILE 47 HD1 ILE 47 64.198 2.261 0.294 322 H THR 48 HN THR 48 63.880 5.566 2.902 323 HA THR 48 HA THR 48 61.399 7.156 2.420 324 HB THR 48 HB THR 48 62.893 9.180 2.990 325 HG1 THR 48 HG1 THR 48 64.706 8.749 4.142 326 1HG2 THR 48 HG21 THR 48 62.738 8.457 5.563 327 2HG2 THR 48 HG22 THR 48 61.750 7.170 4.870 328 3HG2 THR 48 HG23 THR 48 61.302 8.858 4.620 329 H THR 49 HN THR 49 64.179 8.899 1.647 330 HA THR 49 HA THR 49 63.815 8.396 -1.225 331 HB THR 49 HB THR 49 65.637 10.180 0.425 332 HG1 THR 49 HG1 THR 49 63.730 11.087 0.584 333 1HG2 THR 49 HG21 THR 49 65.174 10.062 -2.566 334 2HG2 THR 49 HG22 THR 49 66.693 9.762 -1.723 335 3HG2 THR 49 HG23 THR 49 66.000 11.382 -1.739 336 H SER 50 HN SER 50 64.582 6.017 -0.808 337 HA SER 50 HA SER 50 67.576 5.940 -1.031 338 1HB SER 50 HB2 SER 50 65.602 4.324 0.564 339 2HB SER 50 HB1 SER 50 67.142 3.610 0.097 340 HG SER 50 HG SER 50 67.537 4.597 2.006 341 H THR 51 HN THR 51 68.378 4.603 -2.669 342 HA THR 51 HA THR 51 66.403 3.576 -4.619 343 HB THR 51 HB THR 51 69.315 3.181 -5.004 344 HG1 THR 51 HG1 THR 51 69.192 5.628 -5.504 345 1HG2 THR 51 HG21 THR 51 68.381 3.034 -7.057 346 2HG2 THR 51 HG22 THR 51 68.298 4.794 -7.007 347 3HG2 THR 51 HG23 THR 51 66.900 3.831 -6.528 348 H SER 52 HN SER 52 65.940 1.404 -4.831 349 HA SER 52 HA SER 52 67.780 -0.585 -3.575 350 1HB SER 52 HB2 SER 52 65.196 -1.457 -2.974 351 2HB SER 52 HB1 SER 52 66.323 -0.712 -1.845 352 HG SER 52 HG SER 52 64.055 0.289 -3.001 353 H THR 53 HN THR 53 68.193 -2.100 -5.134 354 HA THR 53 HA THR 53 66.174 -2.511 -7.299 355 HB THR 53 HB THR 53 68.881 -3.750 -7.356 356 HG1 THR 53 HG1 THR 53 69.645 -1.586 -8.030 357 1HG2 THR 53 HG21 THR 53 66.999 -2.351 -9.234 358 2HG2 THR 53 HG22 THR 53 67.696 -3.965 -9.362 359 3HG2 THR 53 HG23 THR 53 68.697 -2.546 -9.669 360 H GLY 54 HN GLY 54 64.744 -3.971 -6.205 361 1HA GLY 54 HA2 GLY 54 64.016 -6.088 -5.499 362 2HA GLY 54 HA1 GLY 54 65.464 -6.738 -6.272 363 H SER 55 HN SER 55 64.102 -5.595 -3.257 364 HA SER 55 HA SER 55 66.176 -7.040 -1.755 365 1HB SER 55 HB2 SER 55 67.032 -5.048 -0.641 366 2HB SER 55 HB1 SER 55 67.173 -4.825 -2.383 367 HG SER 55 HG SER 55 64.912 -3.874 -2.037 368 H ARG 56 HN ARG 56 65.031 -7.995 -0.133 369 HA ARG 56 HA ARG 56 62.379 -7.049 0.643 370 1HB ARG 56 HB2 ARG 56 62.958 -9.426 0.515 371 2HB ARG 56 HB1 ARG 56 64.246 -9.198 1.699 372 1HG ARG 56 HG2 ARG 56 62.802 -9.181 3.455 373 2HG ARG 56 HG1 ARG 56 61.599 -8.235 2.577 374 1HD ARG 56 HD2 ARG 56 60.883 -10.619 3.129 375 2HD ARG 56 HD1 ARG 56 60.810 -10.212 1.402 376 HE ARG 56 HE ARG 56 63.427 -11.169 1.949 377 1HH1 ARG 56 HH2 ARG 56 60.491 -12.538 2.894 378 2HH1 ARG 56 HH2 ARG 56 60.735 -14.042 2.071 379 1HH2 ARG 56 HH1 ARG 56 63.614 -12.993 0.449 380 2HH2 ARG 56 HH1 ARG 56 62.502 -14.300 0.687 381 H ILE 57 HN ILE 57 62.449 -5.103 1.778 382 HA ILE 57 HA ILE 57 64.536 -4.508 3.729 383 HB ILE 57 HB ILE 57 61.868 -3.153 3.240 384 1HG1 ILE 57 HG12 ILE 57 63.019 -3.464 1.099 385 2HG1 ILE 57 HG11 ILE 57 63.126 -1.773 1.586 386 1HG2 ILE 57 HG21 ILE 57 63.962 -2.643 5.044 387 2HG2 ILE 57 HG22 ILE 57 62.649 -1.548 4.612 388 3HG2 ILE 57 HG23 ILE 57 64.180 -1.473 3.741 389 1HD1 ILE 57 HD1 ILE 57 65.267 -3.885 1.622 390 2HD1 ILE 57 HD1 ILE 57 65.374 -2.497 2.706 391 3HD1 ILE 57 HD1 ILE 57 65.332 -2.252 0.959 392 H SER 58 HN SER 58 62.174 -6.722 3.971 393 HA SER 58 HA SER 58 60.520 -6.342 6.134 394 1HB SER 58 HB2 SER 58 60.711 -8.709 6.453 395 2HB SER 58 HB1 SER 58 61.044 -8.426 4.747 396 HG SER 58 HG SER 58 63.286 -8.430 5.313 397 H GLY 59 HN GLY 59 60.742 -6.437 8.441 398 1HA GLY 59 HA2 GLY 59 63.015 -7.049 9.936 399 2HA GLY 59 HA1 GLY 59 63.217 -5.355 9.488 400 HA PRO 60 HA PRO 60 59.951 -6.051 12.920 401 1HB PRO 60 HB2 PRO 60 61.464 -6.426 15.170 402 2HB PRO 60 HB1 PRO 60 60.842 -7.769 14.190 403 1HG PRO 60 HG2 PRO 60 63.567 -6.575 14.253 404 2HG PRO 60 HG1 PRO 60 63.079 -8.268 14.082 405 1HD PRO 60 HD2 PRO 60 63.883 -6.702 11.991 406 2HD PRO 60 HD1 PRO 60 62.786 -8.090 11.823 407 H GLY 61 HN GLY 61 60.736 -3.765 11.787 408 1HA GLY 61 HA2 GLY 61 60.367 -1.541 12.938 409 2HA GLY 61 HA1 GLY 61 61.664 -2.021 14.034 410 H CYS 62 HN CYS 62 61.986 -2.937 10.716 411 HA CYS 62 HA CYS 62 64.500 -1.927 10.212 412 1HB CYS 62 HB2 CYS 62 62.339 -3.013 8.779 413 2HB CYS 62 HB1 CYS 62 62.748 -1.525 7.925 414 H LYS 63 HN LYS 63 65.353 0.036 9.411 415 HA LYS 63 HA LYS 63 63.561 2.368 9.038 416 1HB LYS 63 HB2 LYS 63 63.983 2.238 11.466 417 2HB LYS 63 HB1 LYS 63 65.722 2.171 11.168 418 1HG LYS 63 HG2 LYS 63 65.608 4.397 10.082 419 2HG LYS 63 HG1 LYS 63 63.883 4.469 10.441 420 1HD LYS 63 HD2 LYS 63 64.783 5.634 12.252 421 2HD LYS 63 HD1 LYS 63 64.659 4.000 12.907 422 1HE LYS 63 HE2 LYS 63 67.181 4.522 11.457 423 2HE LYS 63 HE1 LYS 63 66.969 5.478 12.938 424 1HZ LYS 63 HZ1 LYS 63 66.903 3.643 14.235 425 2HZ LYS 63 HZ2 LYS 63 67.822 2.969 12.975 426 3HZ LYS 63 HZ3 LYS 63 66.149 2.687 13.055 427 H ILE 64 HN ILE 64 64.347 3.067 7.067 428 HA ILE 64 HA ILE 64 67.323 3.261 6.777 429 HB ILE 64 HB ILE 64 65.410 2.705 4.512 430 1HG1 ILE 64 HG12 ILE 64 66.385 0.245 5.030 431 2HG1 ILE 64 HG11 ILE 64 66.328 0.874 6.677 432 1HG2 ILE 64 HG21 ILE 64 68.018 1.417 4.498 433 2HG2 ILE 64 HG22 ILE 64 68.165 3.163 4.699 434 3HG2 ILE 64 HG23 ILE 64 67.306 2.506 3.307 435 1HD1 ILE 64 HD1 ILE 64 63.909 1.705 5.740 436 2HD1 ILE 64 HD1 ILE 64 64.155 0.186 6.602 437 3HD1 ILE 64 HD1 ILE 64 64.110 0.202 4.839 438 H SER 65 HN SER 65 68.042 4.997 5.339 439 HA SER 65 HA SER 65 66.070 6.982 4.414 440 1HB SER 65 HB2 SER 65 66.170 8.093 6.393 441 2HB SER 65 HB1 SER 65 67.536 7.128 6.946 442 HG SER 65 HG SER 65 68.892 8.574 6.154 443 H THR 66 HN THR 66 66.918 7.096 2.343 444 HA THR 66 HA THR 66 68.455 7.653 0.638 445 HB THR 66 HB THR 66 70.325 8.658 2.755 446 HG1 THR 66 HG1 THR 66 67.955 9.991 1.975 447 1HG2 THR 66 HG21 THR 66 70.111 8.892 -0.016 448 2HG2 THR 66 HG22 THR 66 71.117 9.889 1.037 449 3HG2 THR 66 HG23 THR 66 69.499 10.431 0.593 450 H CYS 67 HN CYS 67 68.807 5.303 0.409 451 HA CYS 67 HA CYS 67 71.640 4.576 0.996 452 1HB CYS 67 HB2 CYS 67 69.125 3.196 1.942 453 2HB CYS 67 HB1 CYS 67 70.592 2.260 1.664 454 H ILE 68 HN ILE 68 72.305 4.272 -1.139 455 HA ILE 68 HA ILE 68 70.514 3.294 -3.209 456 HB ILE 68 HB ILE 68 73.499 3.763 -2.980 457 1HG1 ILE 68 HG12 ILE 68 72.941 5.613 -4.569 458 2HG1 ILE 68 HG11 ILE 68 71.239 5.171 -4.443 459 1HG2 ILE 68 HG21 ILE 68 71.845 2.705 -5.277 460 2HG2 ILE 68 HG22 ILE 68 73.336 2.038 -4.611 461 3HG2 ILE 68 HG23 ILE 68 73.378 3.536 -5.542 462 1HD1 ILE 68 HD1 ILE 68 71.143 5.769 -2.144 463 2HD1 ILE 68 HD1 ILE 68 72.043 7.074 -2.920 464 3HD1 ILE 68 HD1 ILE 68 72.900 5.830 -2.008 465 H ILE 69 HN ILE 69 69.759 1.253 -2.400 466 HA ILE 69 HA ILE 69 71.783 -0.877 -1.939 467 HB ILE 69 HB ILE 69 68.762 -0.812 -1.632 468 1HG1 ILE 69 HG12 ILE 69 70.600 -0.813 0.711 469 2HG1 ILE 69 HG11 ILE 69 70.487 0.695 -0.200 470 1HG2 ILE 69 HG21 ILE 69 68.909 -2.896 -0.617 471 2HG2 ILE 69 HG22 ILE 69 70.604 -2.681 -0.184 472 3HG2 ILE 69 HG23 ILE 69 70.159 -3.046 -1.851 473 1HD1 ILE 69 HD1 ILE 69 68.699 1.032 1.202 474 2HD1 ILE 69 HD1 ILE 69 68.419 -0.694 1.431 475 3HD1 ILE 69 HD1 ILE 69 67.865 0.101 -0.042 476 H THR 70 HN THR 70 71.572 -2.927 -3.112 477 HA THR 70 HA THR 70 69.827 -2.986 -5.503 478 HB THR 70 HB THR 70 72.839 -2.728 -5.516 479 HG1 THR 70 HG1 THR 70 71.506 -0.861 -5.705 480 1HG2 THR 70 HG21 THR 70 71.148 -4.336 -7.263 481 2HG2 THR 70 HG22 THR 70 72.908 -4.249 -7.179 482 3HG2 THR 70 HG23 THR 70 72.013 -3.084 -8.155 483 H GLY 71 HN GLY 71 68.952 -4.987 -4.838 484 1HA GLY 71 HA2 GLY 71 69.005 -7.371 -5.017 485 2HA GLY 71 HA1 GLY 71 70.766 -7.297 -5.093 486 H GLY 72 HN GLY 72 68.795 -5.714 -2.630 487 1HA GLY 72 HA2 GLY 72 68.552 -6.210 -0.338 488 2HA GLY 72 HA1 GLY 72 69.260 -7.794 -0.646 489 H VAL 73 HN VAL 73 71.082 -5.171 -1.870 490 HA VAL 73 HA VAL 73 72.939 -5.320 0.496 491 HB VAL 73 HB VAL 73 74.747 -5.347 -1.129 492 1HG1 VAL 73 HG11 VAL 73 72.742 -7.349 -0.951 493 2HG1 VAL 73 HG12 VAL 73 74.428 -7.560 -1.426 494 3HG1 VAL 73 HG13 VAL 73 73.200 -7.243 -2.651 495 1HG2 VAL 73 HG21 VAL 73 72.512 -4.527 -2.925 496 2HG2 VAL 73 HG22 VAL 73 73.782 -5.532 -3.630 497 3HG2 VAL 73 HG23 VAL 73 74.188 -3.977 -2.899 498 HA PRO 74 HA PRO 74 72.499 -0.885 0.233 499 1HB PRO 74 HB2 PRO 74 74.141 -0.282 2.328 500 2HB PRO 74 HB1 PRO 74 72.493 -0.896 2.547 501 1HG PRO 74 HG2 PRO 74 75.083 -2.287 2.854 502 2HG PRO 74 HG1 PRO 74 73.547 -2.560 3.684 503 1HD PRO 74 HD2 PRO 74 74.579 -4.101 1.595 504 2HD PRO 74 HD1 PRO 74 72.901 -4.119 2.177 505 H ALA 75 HN ALA 75 73.855 0.895 -0.435 506 HA ALA 75 HA ALA 75 76.441 0.057 -1.643 507 1HB ALA 75 HB1 ALA 75 74.504 2.352 -1.955 508 2HB ALA 75 HB2 ALA 75 74.984 1.154 -3.158 509 3HB ALA 75 HB3 ALA 75 76.113 2.419 -2.674 510 HA PRO 76 HA PRO 76 78.850 2.281 1.278 511 1HB PRO 76 HB2 PRO 76 80.843 3.302 -0.295 512 2HB PRO 76 HB1 PRO 76 80.725 1.579 0.117 513 1HG PRO 76 HG2 PRO 76 79.951 2.983 -2.387 514 2HG PRO 76 HG1 PRO 76 80.684 1.387 -2.167 515 1HD PRO 76 HD2 PRO 76 78.030 1.784 -2.700 516 2HD PRO 76 HD1 PRO 76 78.668 0.363 -1.842 517 H SER 77 HN SER 77 76.943 3.879 1.423 518 HA SER 77 HA SER 77 77.619 6.519 0.177 519 1HB SER 77 HB2 SER 77 75.222 4.967 0.532 520 2HB SER 77 HB1 SER 77 75.046 6.496 1.390 521 HG SER 77 HG SER 77 74.578 7.165 -0.568 522 H ALA 78 HN ALA 78 77.998 8.274 1.535 523 HA ALA 78 HA ALA 78 78.575 7.747 4.345 524 1HB ALA 78 HB1 ALA 78 78.905 9.864 2.318 525 2HB ALA 78 HB2 ALA 78 80.006 9.358 3.599 526 3HB ALA 78 HB3 ALA 78 78.686 10.470 3.960 527 H ALA 79 HN ALA 79 75.913 9.165 2.531 528 HA ALA 79 HA ALA 79 74.642 10.246 4.977 529 1HB ALA 79 HB1 ALA 79 72.861 10.586 2.949 530 2HB ALA 79 HB2 ALA 79 74.356 10.426 2.027 531 3HB ALA 79 HB3 ALA 79 74.203 11.690 3.247 532 H CYS 80 HN CYS 80 74.835 7.249 3.498 533 HA CYS 80 HA CYS 80 72.023 6.468 3.971 534 1HB CYS 80 HB2 CYS 80 72.980 5.556 2.013 535 2HB CYS 80 HB1 CYS 80 74.506 5.202 2.814 536 H LYS 81 HN LYS 81 71.391 4.996 5.600 537 HA LYS 81 HA LYS 81 73.312 4.746 7.860 538 1HB LYS 81 HB2 LYS 81 71.459 5.021 9.190 539 2HB LYS 81 HB1 LYS 81 70.829 5.773 7.732 540 1HG LYS 81 HG2 LYS 81 70.300 2.969 8.746 541 2HG LYS 81 HG1 LYS 81 69.137 4.261 8.485 542 1HD LYS 81 HD2 LYS 81 68.957 3.813 6.267 543 2HD LYS 81 HD1 LYS 81 70.670 3.520 6.076 544 1HE LYS 81 HE2 LYS 81 70.013 1.366 7.568 545 2HE LYS 81 HE1 LYS 81 68.506 1.598 6.666 546 1HZ LYS 81 HZ1 LYS 81 69.840 1.806 4.632 547 2HZ LYS 81 HZ2 LYS 81 70.021 0.281 5.355 548 3HZ LYS 81 HZ3 LYS 81 71.241 1.451 5.518 549 H ILE 82 HN ILE 82 72.122 2.686 9.224 550 HA ILE 82 HA ILE 82 71.505 0.299 7.830 551 HB ILE 82 HB ILE 82 74.041 1.114 7.219 552 1HG1 ILE 82 HG12 ILE 82 74.440 -1.289 6.591 553 2HG1 ILE 82 HG11 ILE 82 72.973 -1.706 7.477 554 1HG2 ILE 82 HG21 ILE 82 74.647 -1.072 9.157 555 2HG2 ILE 82 HG22 ILE 82 74.493 0.568 9.785 556 3HG2 ILE 82 HG23 ILE 82 75.692 0.209 8.542 557 1HD1 ILE 82 HD1 ILE 82 72.750 -1.295 4.931 558 2HD1 ILE 82 HD1 ILE 82 72.946 0.411 5.324 559 3HD1 ILE 82 HD1 ILE 82 71.588 -0.495 5.989 560 H SER 83 HN SER 83 70.952 1.747 10.304 561 HA SER 83 HA SER 83 72.165 0.464 12.579 562 1HB SER 83 HB2 SER 83 69.542 1.938 12.204 563 2HB SER 83 HB1 SER 83 70.297 1.598 13.760 564 HG SER 83 HG SER 83 70.786 3.700 12.891 565 H GLY 84 HN GLY 84 68.715 0.332 12.686 566 1HA GLY 84 HA2 GLY 84 68.893 -2.619 12.956 567 2HA GLY 84 HA1 GLY 84 67.593 -1.609 13.585 568 H CYS 85 HN CYS 85 68.971 -2.871 10.561 569 HA CYS 85 HA CYS 85 66.260 -3.253 9.529 570 1HB CYS 85 HB2 CYS 85 67.179 -0.811 9.149 571 2HB CYS 85 HB1 CYS 85 68.133 -1.569 7.881 572 H THR 86 HN THR 86 66.726 -3.939 6.950 573 HA THR 86 HA THR 86 69.227 -5.242 6.404 574 HB THR 86 HB THR 86 68.533 -6.575 8.355 575 HG1 THR 86 HG1 THR 86 69.092 -8.372 7.395 576 1HG2 THR 86 HG21 THR 86 66.068 -6.151 8.012 577 2HG2 THR 86 HG22 THR 86 66.467 -7.833 8.359 578 3HG2 THR 86 HG23 THR 86 66.107 -7.336 6.705 579 H PHE 87 HN PHE 87 69.135 -6.531 4.464 580 HA PHE 87 HA PHE 87 66.551 -6.357 2.954 581 1HB PHE 87 HB2 PHE 87 69.130 -6.224 1.470 582 2HB PHE 87 HB1 PHE 87 67.614 -5.397 1.143 583 HD1 PHE 87 HD1 PHE 87 67.060 -3.969 3.644 584 HD2 PHE 87 HD2 PHE 87 70.791 -4.597 1.600 585 HE1 PHE 87 HE1 PHE 87 67.977 -1.910 4.685 586 HE2 PHE 87 HE2 PHE 87 71.700 -2.548 2.647 587 HZ PHE 87 HZ PHE 87 70.300 -1.202 4.185 588 H SER 88 HN SER 88 66.428 -8.067 1.231 589 HA SER 88 HA SER 88 68.336 -10.329 1.584 590 1HB SER 88 HB2 SER 88 66.271 -10.400 3.142 591 2HB SER 88 HB1 SER 88 65.339 -10.710 1.680 592 HG SER 88 HG SER 88 66.916 -12.375 3.113 593 H ALA 89 HN ALA 89 67.074 -8.264 -0.510 594 HA ALA 89 HA ALA 89 66.870 -8.324 -2.868 595 1HB ALA 89 HB1 ALA 89 68.722 -10.094 -2.346 596 2HB ALA 89 HB2 ALA 89 67.959 -10.111 -3.937 597 3HB ALA 89 HB3 ALA 89 67.456 -11.270 -2.706 598 H ASN 90 HN ASN 90 64.904 -9.757 -0.697 599 HA ASN 90 HA ASN 90 62.929 -11.083 -0.810 600 1HB ASN 90 HB2 ASN 90 61.291 -9.505 -1.328 601 2HB ASN 90 HB1 ASN 90 62.712 -8.491 -1.115 602 1HD2 ASN 90 HD2 ASN 90 63.853 -7.796 -3.155 603 2HD2 ASN 90 HD2 ASN 90 62.958 -7.658 -4.590 Start of MODEL 25 1 1H ASP 1 HT1 ASP 1 47.929 4.682 4.863 2 2H ASP 1 HT2 ASP 1 49.150 5.634 5.565 3 3H ASP 1 HT3 ASP 1 49.025 5.517 3.874 4 HA ASP 1 HA ASP 1 47.044 6.807 5.687 5 1HB ASP 1 HB2 ASP 1 49.314 7.876 5.276 6 2HB ASP 1 HB1 ASP 1 48.884 7.958 3.569 7 H GLY 2 HN GLY 2 46.033 4.802 4.120 8 1HA GLY 2 HA2 GLY 2 43.958 5.139 2.758 9 2HA GLY 2 HA1 GLY 2 44.890 6.272 1.776 10 H SER 3 HN SER 3 43.578 4.037 0.643 11 HA SER 3 HA SER 3 45.404 1.808 0.290 12 1HB SER 3 HB2 SER 3 42.736 2.603 -0.395 13 2HB SER 3 HB1 SER 3 43.547 2.067 -1.864 14 HG SER 3 HG SER 3 42.517 0.383 -0.581 15 H CYS 4 HN CYS 4 47.418 2.716 -0.425 16 HA CYS 4 HA CYS 4 47.543 4.475 -2.759 17 1HB CYS 4 HB2 CYS 4 49.662 2.875 -1.283 18 2HB CYS 4 HB1 CYS 4 49.967 4.217 -2.388 19 H THR 5 HN THR 5 49.726 3.290 -4.146 20 HA THR 5 HA THR 5 48.913 0.583 -4.988 21 HB THR 5 HB THR 5 48.692 2.998 -6.813 22 HG1 THR 5 HG1 THR 5 46.415 2.140 -6.733 23 1HG2 THR 5 HG21 THR 5 47.541 1.226 -8.280 24 2HG2 THR 5 HG22 THR 5 48.291 0.034 -7.218 25 3HG2 THR 5 HG23 THR 5 49.299 1.138 -8.155 26 H ASN 6 HN ASN 6 51.361 2.617 -4.300 27 HA ASN 6 HA ASN 6 53.602 2.853 -5.046 28 1HB ASN 6 HB2 ASN 6 53.672 0.684 -4.033 29 2HB ASN 6 HB1 ASN 6 52.809 -0.050 -5.374 30 1HD2 ASN 6 HD2 ASN 6 54.042 -0.743 -7.195 31 2HD2 ASN 6 HD2 ASN 6 55.732 -0.600 -7.273 32 H THR 7 HN THR 7 51.680 3.643 -7.019 33 HA THR 7 HA THR 7 51.855 4.368 -9.281 34 HB THR 7 HB THR 7 54.020 2.322 -9.718 35 HG1 THR 7 HG1 THR 7 55.027 3.192 -8.106 36 1HG2 THR 7 HG21 THR 7 54.925 4.146 -11.140 37 2HG2 THR 7 HG22 THR 7 53.549 5.154 -10.691 38 3HG2 THR 7 HG23 THR 7 53.294 3.678 -11.622 39 H ASN 8 HN ASN 8 51.753 0.964 -8.379 40 HA ASN 8 HA ASN 8 49.475 0.305 -9.880 41 1HB ASN 8 HB2 ASN 8 51.882 0.692 -11.452 42 2HB ASN 8 HB1 ASN 8 51.296 -0.962 -11.625 43 1HD2 ASN 8 HD2 ASN 8 50.930 2.124 -12.900 44 2HD2 ASN 8 HD2 ASN 8 49.384 1.947 -13.579 45 H SER 9 HN SER 9 49.966 -0.726 -7.527 46 HA SER 9 HA SER 9 50.494 -3.566 -8.048 47 1HB SER 9 HB2 SER 9 52.495 -3.728 -6.842 48 2HB SER 9 HB1 SER 9 52.691 -2.215 -7.718 49 HG SER 9 HG SER 9 53.148 -2.218 -5.371 50 H GLN 10 HN GLN 10 51.268 -3.159 -4.862 51 HA GLN 10 HA GLN 10 48.384 -3.305 -4.035 52 1HB GLN 10 HB2 GLN 10 50.490 -4.666 -2.431 53 2HB GLN 10 HB1 GLN 10 48.870 -5.216 -2.851 54 1HG GLN 10 HG2 GLN 10 49.991 -5.274 -5.307 55 2HG GLN 10 HG1 GLN 10 51.432 -5.556 -4.328 56 1HE2 GLN 10 HE21 GLN 10 51.264 -7.789 -5.438 57 2HE2 GLN 10 HE22 GLN 10 50.282 -8.957 -4.694 58 H LEU 11 HN LEU 11 51.657 -2.753 -2.645 59 HA LEU 11 HA LEU 11 52.296 -1.355 -0.842 60 1HB LEU 11 HB2 LEU 11 51.636 0.157 -2.821 61 2HB LEU 11 HB1 LEU 11 50.115 0.420 -1.972 62 HG LEU 11 HG LEU 11 51.169 1.524 -0.171 63 1HD1 LEU 11 HD1 LEU 11 53.784 1.553 -0.137 64 2HD1 LEU 11 HD1 LEU 11 53.645 0.114 -1.145 65 3HD1 LEU 11 HD1 LEU 11 52.943 0.128 0.471 66 1HD2 LEU 11 HD2 LEU 11 52.927 2.265 -2.523 67 2HD2 LEU 11 HD2 LEU 11 52.415 3.304 -1.195 68 3HD2 LEU 11 HD2 LEU 11 51.240 2.760 -2.390 69 H SER 12 HN SER 12 51.333 -2.872 0.703 70 HA SER 12 HA SER 12 48.789 -3.166 1.652 71 1HB SER 12 HB2 SER 12 49.866 -3.500 3.867 72 2HB SER 12 HB1 SER 12 50.810 -4.225 2.570 73 HG SER 12 HG SER 12 51.441 -2.205 4.278 74 H ALA 13 HN ALA 13 47.264 -1.927 2.719 75 HA ALA 13 HA ALA 13 47.283 0.885 2.694 76 1HB ALA 13 HB1 ALA 13 45.309 0.659 3.975 77 2HB ALA 13 HB2 ALA 13 45.934 -0.739 4.850 78 3HB ALA 13 HB3 ALA 13 45.434 -0.903 3.166 79 H ASN 14 HN ASN 14 48.877 -1.324 4.840 80 HA ASN 14 HA ASN 14 49.238 0.526 7.062 81 1HB ASN 14 HB2 ASN 14 49.214 -2.001 7.129 82 2HB ASN 14 HB1 ASN 14 50.771 -1.981 6.298 83 1HD2 ASN 14 HD2 ASN 14 50.507 -3.075 8.933 84 2HD2 ASN 14 HD2 ASN 14 51.365 -2.083 10.010 85 H SER 15 HN SER 15 50.600 0.337 3.952 86 HA SER 15 HA SER 15 53.303 1.227 4.712 87 1HB SER 15 HB2 SER 15 52.864 -0.261 2.786 88 2HB SER 15 HB1 SER 15 51.868 0.986 2.041 89 HG SER 15 HG SER 15 54.588 1.334 2.779 90 H LYS 16 HN LYS 16 53.756 3.205 2.754 91 HA LYS 16 HA LYS 16 51.763 5.360 3.287 92 1HB LYS 16 HB2 LYS 16 53.908 5.035 4.907 93 2HB LYS 16 HB1 LYS 16 54.638 6.037 3.653 94 1HG LYS 16 HG2 LYS 16 52.277 7.345 4.022 95 2HG LYS 16 HG1 LYS 16 52.562 6.725 5.647 96 1HD LYS 16 HD2 LYS 16 54.438 8.017 5.961 97 2HD LYS 16 HD1 LYS 16 54.888 7.964 4.256 98 1HE LYS 16 HE2 LYS 16 53.701 9.856 3.770 99 2HE LYS 16 HE1 LYS 16 52.343 9.376 4.807 100 1HZ LYS 16 HZ1 LYS 16 53.279 10.295 6.631 101 2HZ LYS 16 HZ2 LYS 16 54.050 11.287 5.487 102 3HZ LYS 16 HZ3 LYS 16 54.866 9.948 6.142 103 H CYS 17 HN CYS 17 51.511 6.629 1.476 104 HA CYS 17 HA CYS 17 53.683 6.598 -0.590 105 1HB CYS 17 HB2 CYS 17 51.952 6.295 -2.280 106 2HB CYS 17 HB1 CYS 17 51.771 5.034 -1.061 107 H GLU 18 HN GLU 18 54.182 8.646 -1.319 108 HA GLU 18 HA GLU 18 52.173 10.796 -1.320 109 1HB GLU 18 HB2 GLU 18 54.155 10.365 0.821 110 2HB GLU 18 HB1 GLU 18 54.154 12.003 0.168 111 1HG GLU 18 HG2 GLU 18 51.482 11.578 0.385 112 2HG GLU 18 HG1 GLU 18 52.065 10.590 1.725 113 H LYS 19 HN LYS 19 55.652 11.232 -0.892 114 HA LYS 19 HA LYS 19 55.798 12.246 -3.709 115 1HB LYS 19 HB2 LYS 19 56.670 13.156 -1.085 116 2HB LYS 19 HB1 LYS 19 58.015 13.114 -2.226 117 1HG LYS 19 HG2 LYS 19 55.344 14.411 -2.830 118 2HG LYS 19 HG1 LYS 19 56.743 15.292 -2.214 119 1HD LYS 19 HD2 LYS 19 57.354 13.580 -4.528 120 2HD LYS 19 HD1 LYS 19 56.204 14.870 -4.883 121 1HE LYS 19 HE2 LYS 19 58.800 15.398 -3.403 122 2HE LYS 19 HE1 LYS 19 58.674 15.493 -5.170 123 1HZ LYS 19 HZ1 LYS 19 57.724 17.475 -4.963 124 2HZ LYS 19 HZ2 LYS 19 57.815 17.381 -3.271 125 3HZ LYS 19 HZ3 LYS 19 56.447 16.787 -4.084 126 H SER 20 HN SER 20 56.093 9.409 -3.148 127 HA SER 20 HA SER 20 59.041 8.987 -3.408 128 1HB SER 20 HB2 SER 20 56.691 7.222 -2.688 129 2HB SER 20 HB1 SER 20 58.310 6.586 -2.954 130 HG SER 20 HG SER 20 57.593 7.271 -0.718 131 H THR 21 HN THR 21 59.825 7.651 -5.146 132 HA THR 21 HA THR 21 57.978 7.519 -7.506 133 HB THR 21 HB THR 21 60.999 7.726 -7.242 134 HG1 THR 21 HG1 THR 21 58.983 9.505 -8.137 135 1HG2 THR 21 HG21 THR 21 60.796 8.120 -9.776 136 2HG2 THR 21 HG22 THR 21 59.196 7.391 -9.640 137 3HG2 THR 21 HG23 THR 21 60.629 6.458 -9.211 138 H LEU 22 HN LEU 22 57.172 5.394 -6.748 139 HA LEU 22 HA LEU 22 59.196 3.205 -6.704 140 1HB LEU 22 HB2 LEU 22 56.247 2.951 -6.139 141 2HB LEU 22 HB1 LEU 22 57.581 2.011 -5.481 142 HG LEU 22 HG LEU 22 56.869 4.878 -4.830 143 1HD1 LEU 22 HD1 LEU 22 55.548 3.400 -3.529 144 2HD1 LEU 22 HD1 LEU 22 56.907 3.805 -2.481 145 3HD1 LEU 22 HD1 LEU 22 56.876 2.258 -3.328 146 1HD2 LEU 22 HD2 LEU 22 59.448 3.753 -4.959 147 2HD2 LEU 22 HD2 LEU 22 59.015 3.723 -3.252 148 3HD2 LEU 22 HD2 LEU 22 58.988 5.245 -4.141 149 H THR 23 HN THR 23 58.265 1.079 -7.677 150 HA THR 23 HA THR 23 56.586 1.430 -10.074 151 HB THR 23 HB THR 23 59.560 0.836 -10.128 152 HG1 THR 23 HG1 THR 23 59.643 2.822 -10.750 153 1HG2 THR 23 HG21 THR 23 58.747 0.899 -12.745 154 2HG2 THR 23 HG22 THR 23 57.398 0.063 -11.974 155 3HG2 THR 23 HG23 THR 23 59.035 -0.578 -11.826 156 H ASN 24 HN ASN 24 55.242 -0.289 -9.587 157 HA ASN 24 HA ASN 24 54.565 -2.517 -9.208 158 1HB ASN 24 HB2 ASN 24 57.337 -2.863 -10.385 159 2HB ASN 24 HB1 ASN 24 56.204 -4.194 -10.151 160 1HD2 ASN 24 HD2 ASN 24 55.966 -4.535 -12.482 161 2HD2 ASN 24 HD2 ASN 24 55.109 -3.433 -13.449 162 H CYS 25 HN CYS 25 54.434 -2.654 -6.949 163 HA CYS 25 HA CYS 25 56.617 -4.091 -5.590 164 1HB CYS 25 HB2 CYS 25 56.476 -1.273 -5.567 165 2HB CYS 25 HB1 CYS 25 55.865 -1.782 -3.994 166 H TYR 26 HN TYR 26 55.836 -4.042 -3.035 167 HA TYR 26 HA TYR 26 52.874 -4.472 -2.991 168 1HB TYR 26 HB2 TYR 26 54.479 -6.542 -3.275 169 2HB TYR 26 HB1 TYR 26 54.822 -6.276 -1.565 170 HD1 TYR 26 HD1 TYR 26 52.219 -5.344 -0.541 171 HD2 TYR 26 HD2 TYR 26 53.128 -8.464 -3.350 172 HE1 TYR 26 HE1 TYR 26 50.111 -6.500 0.061 173 HE2 TYR 26 HE2 TYR 26 51.017 -9.622 -2.746 174 HH TYR 26 HH TYR 26 49.039 -8.549 -0.060 175 H VAL 27 HN VAL 27 55.861 -4.305 -1.123 176 HA VAL 27 HA VAL 27 56.383 -3.260 0.916 177 HB VAL 27 HB VAL 27 54.015 -1.542 0.140 178 1HG1 VAL 27 HG11 VAL 27 55.903 0.133 1.069 179 2HG1 VAL 27 HG12 VAL 27 56.354 -1.317 1.967 180 3HG1 VAL 27 HG13 VAL 27 54.731 -0.647 2.131 181 1HG2 VAL 27 HG21 VAL 27 56.852 -1.637 -0.928 182 2HG2 VAL 27 HG22 VAL 27 55.822 -0.217 -1.100 183 3HG2 VAL 27 HG23 VAL 27 55.350 -1.742 -1.847 184 H ASP 28 HN ASP 28 55.842 -3.415 3.065 185 HA ASP 28 HA ASP 28 53.039 -3.885 3.898 186 1HB ASP 28 HB2 ASP 28 54.869 -5.973 3.299 187 2HB ASP 28 HB1 ASP 28 54.727 -5.920 5.057 188 H LYS 29 HN LYS 29 52.820 -2.637 5.724 189 HA LYS 29 HA LYS 29 53.388 -1.491 7.716 190 1HB LYS 29 HB2 LYS 29 55.271 -3.872 7.789 191 2HB LYS 29 HB1 LYS 29 54.931 -2.830 9.170 192 1HG LYS 29 HG2 LYS 29 53.173 -4.161 9.629 193 2HG LYS 29 HG1 LYS 29 52.407 -3.531 8.171 194 1HD LYS 29 HD2 LYS 29 53.157 -5.342 6.851 195 2HD LYS 29 HD1 LYS 29 54.381 -5.806 8.035 196 1HE LYS 29 HE2 LYS 29 51.952 -5.921 9.447 197 2HE LYS 29 HE1 LYS 29 51.608 -6.658 7.868 198 1HZ LYS 29 HZ1 LYS 29 53.878 -7.780 8.191 199 2HZ LYS 29 HZ2 LYS 29 52.555 -8.395 9.062 200 3HZ LYS 29 HZ3 LYS 29 53.690 -7.391 9.831 201 H SER 30 HN SER 30 54.698 -0.616 5.282 202 HA SER 30 HA SER 30 57.356 0.264 6.372 203 1HB SER 30 HB2 SER 30 56.468 -0.289 3.526 204 2HB SER 30 HB1 SER 30 58.073 0.263 3.994 205 HG SER 30 HG SER 30 56.942 -2.230 4.128 206 H GLU 31 HN GLU 31 57.905 2.180 4.422 207 HA GLU 31 HA GLU 31 55.589 4.065 4.397 208 1HB GLU 31 HB2 GLU 31 58.040 4.186 6.046 209 2HB GLU 31 HB1 GLU 31 57.644 5.687 5.210 210 1HG GLU 31 HG2 GLU 31 55.722 6.012 6.416 211 2HG GLU 31 HG1 GLU 31 55.388 4.283 6.548 212 H VAL 32 HN VAL 32 59.098 4.455 3.876 213 HA VAL 32 HA VAL 32 60.316 4.903 1.893 214 HB VAL 32 HB VAL 32 57.732 4.507 0.382 215 1HG1 VAL 32 HG11 VAL 32 60.490 3.500 -0.284 216 2HG1 VAL 32 HG12 VAL 32 60.021 5.161 -0.651 217 3HG1 VAL 32 HG13 VAL 32 59.140 3.814 -1.373 218 1HG2 VAL 32 HG21 VAL 32 57.525 2.451 1.301 219 2HG2 VAL 32 HG22 VAL 32 59.036 2.641 2.192 220 3HG2 VAL 32 HG23 VAL 32 59.059 2.035 0.536 221 H TYR 33 HN TYR 33 60.805 6.835 0.873 222 HA TYR 33 HA TYR 33 58.669 8.884 0.521 223 1HB TYR 33 HB2 TYR 33 61.098 8.995 2.306 224 2HB TYR 33 HB1 TYR 33 60.411 10.475 1.648 225 HD1 TYR 33 HD1 TYR 33 60.109 7.914 4.166 226 HD2 TYR 33 HD2 TYR 33 57.937 10.960 2.052 227 HE1 TYR 33 HE1 TYR 33 58.365 7.895 5.930 228 HE2 TYR 33 HE2 TYR 33 56.194 10.939 3.815 229 HH TYR 33 HH TYR 33 56.428 8.722 6.604 230 H GLY 34 HN GLY 34 60.282 7.313 -1.397 231 1HA GLY 34 HA2 GLY 34 60.866 8.911 -3.458 232 2HA GLY 34 HA1 GLY 34 62.238 9.295 -2.423 233 H THR 35 HN THR 35 61.716 6.212 -1.620 234 HA THR 35 HA THR 35 63.974 5.162 -2.964 235 HB THR 35 HB THR 35 61.897 4.352 -1.133 236 HG1 THR 35 HG1 THR 35 64.044 4.366 -0.597 237 1HG2 THR 35 HG21 THR 35 61.127 2.897 -3.002 238 2HG2 THR 35 HG22 THR 35 61.767 1.962 -1.650 239 3HG2 THR 35 HG23 THR 35 62.745 2.202 -3.099 240 H THR 36 HN THR 36 63.895 3.279 -4.543 241 HA THR 36 HA THR 36 61.900 3.862 -6.697 242 HB THR 36 HB THR 36 64.326 4.230 -7.136 243 HG1 THR 36 HG1 THR 36 62.657 3.128 -8.646 244 1HG2 THR 36 HG21 THR 36 65.052 1.426 -7.309 245 2HG2 THR 36 HG22 THR 36 64.595 1.859 -5.662 246 3HG2 THR 36 HG23 THR 36 65.883 2.742 -6.480 247 H CYS 37 HN CYS 37 60.637 2.314 -4.988 248 HA CYS 37 HA CYS 37 61.059 -0.419 -4.700 249 1HB CYS 37 HB2 CYS 37 59.016 1.424 -4.338 250 2HB CYS 37 HB1 CYS 37 58.319 0.282 -5.485 251 H THR 38 HN THR 38 62.092 -1.321 -6.592 252 HA THR 38 HA THR 38 60.501 -1.325 -9.114 253 HB THR 38 HB THR 38 63.355 -1.889 -8.316 254 HG1 THR 38 HG1 THR 38 63.421 -0.441 -10.328 255 1HG2 THR 38 HG21 THR 38 61.848 -3.162 -10.461 256 2HG2 THR 38 HG22 THR 38 63.479 -3.503 -9.887 257 3HG2 THR 38 HG23 THR 38 63.212 -2.233 -11.081 258 H GLY 39 HN GLY 39 58.940 -2.940 -8.822 259 1HA GLY 39 HA2 GLY 39 58.062 -5.080 -8.359 260 2HA GLY 39 HA1 GLY 39 59.487 -5.624 -9.247 261 H SER 40 HN SER 40 59.032 -4.108 -6.040 262 HA SER 40 HA SER 40 60.525 -6.428 -4.853 263 1HB SER 40 HB2 SER 40 60.693 -3.549 -3.944 264 2HB SER 40 HB1 SER 40 61.793 -4.872 -3.567 265 HG SER 40 HG SER 40 62.611 -4.779 -5.580 266 H ARG 41 HN ARG 41 60.227 -6.194 -2.293 267 HA ARG 41 HA ARG 41 57.492 -5.271 -1.587 268 1HB ARG 41 HB2 ARG 41 58.517 -8.121 -1.397 269 2HB ARG 41 HB1 ARG 41 56.987 -7.561 -0.719 270 1HG ARG 41 HG2 ARG 41 56.331 -6.796 -3.028 271 2HG ARG 41 HG1 ARG 41 57.783 -7.587 -3.642 272 1HD ARG 41 HD2 ARG 41 56.843 -9.672 -2.306 273 2HD ARG 41 HD1 ARG 41 55.297 -8.823 -2.501 274 HE ARG 41 HE ARG 41 56.067 -8.652 -5.003 275 1HH1 ARG 41 HH1 ARG 41 54.705 -11.222 -4.008 276 2HH1 ARG 41 HH1 ARG 41 55.737 -12.422 -4.710 277 1HH2 ARG 41 HH2 ARG 41 58.304 -10.194 -5.398 278 2HH2 ARG 41 HH2 ARG 41 57.775 -11.841 -5.499 279 H PHE 42 HN PHE 42 57.270 -4.894 0.661 280 HA PHE 42 HA PHE 42 59.778 -5.214 2.275 281 1HB PHE 42 HB2 PHE 42 57.555 -3.156 2.443 282 2HB PHE 42 HB1 PHE 42 59.018 -3.170 3.428 283 HD1 PHE 42 HD1 PHE 42 58.124 -0.901 1.589 284 HD2 PHE 42 HD2 PHE 42 60.703 -4.275 0.946 285 HE1 PHE 42 HE1 PHE 42 59.322 0.352 -0.182 286 HE2 PHE 42 HE2 PHE 42 61.901 -3.018 -0.826 287 HZ PHE 42 HZ PHE 42 61.209 -0.701 -1.386 288 H ASP 43 HN ASP 43 59.121 -5.169 4.757 289 HA ASP 43 HA ASP 43 56.505 -6.396 5.340 290 1HB ASP 43 HB2 ASP 43 58.598 -8.007 4.532 291 2HB ASP 43 HB1 ASP 43 58.734 -8.067 6.291 292 H GLY 44 HN GLY 44 57.462 -3.999 6.306 293 1HA GLY 44 HA2 GLY 44 57.110 -3.331 8.674 294 2HA GLY 44 HA1 GLY 44 58.140 -4.686 9.135 295 H VAL 45 HN VAL 45 58.341 -1.819 6.978 296 HA VAL 45 HA VAL 45 61.057 -1.327 8.147 297 HB VAL 45 HB VAL 45 62.001 -1.170 6.017 298 1HG1 VAL 45 HG11 VAL 45 61.046 -3.479 6.435 299 2HG1 VAL 45 HG12 VAL 45 61.322 -3.081 4.739 300 3HG1 VAL 45 HG13 VAL 45 59.690 -3.019 5.405 301 1HG2 VAL 45 HG21 VAL 45 59.318 -0.167 5.296 302 2HG2 VAL 45 HG22 VAL 45 60.131 -1.082 4.027 303 3HG2 VAL 45 HG23 VAL 45 60.903 0.345 4.719 304 H THR 46 HN THR 46 61.677 0.969 6.829 305 HA THR 46 HA THR 46 59.503 2.913 6.780 306 HB THR 46 HB THR 46 61.473 2.785 9.090 307 HG1 THR 46 HG1 THR 46 59.844 1.988 10.124 308 1HG2 THR 46 HG21 THR 46 59.410 4.819 9.276 309 2HG2 THR 46 HG22 THR 46 60.428 5.073 7.858 310 3HG2 THR 46 HG23 THR 46 61.156 4.981 9.462 311 H ILE 47 HN ILE 47 61.198 2.409 4.769 312 HA ILE 47 HA ILE 47 63.680 3.948 4.929 313 HB ILE 47 HB ILE 47 63.413 1.858 3.640 314 1HG1 ILE 47 HG12 ILE 47 63.772 4.169 1.713 315 2HG1 ILE 47 HG11 ILE 47 64.995 3.719 2.903 316 1HG2 ILE 47 HG21 ILE 47 62.054 2.519 1.349 317 2HG2 ILE 47 HG22 ILE 47 61.111 3.361 2.577 318 3HG2 ILE 47 HG23 ILE 47 61.360 1.621 2.699 319 1HD1 ILE 47 HD1 ILE 47 64.890 1.364 1.954 320 2HD1 ILE 47 HD1 ILE 47 65.577 2.576 0.873 321 3HD1 ILE 47 HD1 ILE 47 63.919 2.024 0.638 322 H THR 48 HN THR 48 64.105 5.592 3.142 323 HA THR 48 HA THR 48 61.693 7.269 2.584 324 HB THR 48 HB THR 48 63.177 9.220 3.194 325 HG1 THR 48 HG1 THR 48 65.177 8.866 3.706 326 1HG2 THR 48 HG21 THR 48 62.064 7.200 4.963 327 2HG2 THR 48 HG22 THR 48 62.026 8.956 5.111 328 3HG2 THR 48 HG23 THR 48 63.412 8.050 5.719 329 H THR 49 HN THR 49 64.190 9.096 1.627 330 HA THR 49 HA THR 49 63.947 8.355 -1.183 331 HB THR 49 HB THR 49 65.621 10.325 0.402 332 HG1 THR 49 HG1 THR 49 63.436 10.807 0.309 333 1HG2 THR 49 HG21 THR 49 65.503 9.761 -2.554 334 2HG2 THR 49 HG22 THR 49 66.922 9.986 -1.529 335 3HG2 THR 49 HG23 THR 49 65.910 11.368 -1.950 336 H SER 50 HN SER 50 64.833 6.049 -0.729 337 HA SER 50 HA SER 50 67.833 6.098 -0.869 338 1HB SER 50 HB2 SER 50 65.879 4.404 0.677 339 2HB SER 50 HB1 SER 50 67.488 3.789 0.304 340 HG SER 50 HG SER 50 66.924 5.229 2.318 341 H THR 51 HN THR 51 68.737 4.726 -2.464 342 HA THR 51 HA THR 51 66.841 3.668 -4.467 343 HB THR 51 HB THR 51 69.775 3.218 -4.666 344 HG1 THR 51 HG1 THR 51 68.720 5.826 -4.883 345 1HG2 THR 51 HG21 THR 51 68.733 2.851 -6.689 346 2HG2 THR 51 HG22 THR 51 69.103 4.566 -6.862 347 3HG2 THR 51 HG23 THR 51 67.483 4.057 -6.384 348 H SER 52 HN SER 52 66.362 1.501 -4.713 349 HA SER 52 HA SER 52 68.117 -0.567 -3.537 350 1HB SER 52 HB2 SER 52 66.650 -1.221 -1.862 351 2HB SER 52 HB1 SER 52 66.312 0.507 -1.895 352 HG SER 52 HG SER 52 64.632 -1.466 -2.311 353 H THR 53 HN THR 53 68.154 -2.218 -5.006 354 HA THR 53 HA THR 53 65.824 -2.508 -6.876 355 HB THR 53 HB THR 53 68.413 -3.801 -7.485 356 HG1 THR 53 HG1 THR 53 69.576 -2.024 -7.572 357 1HG2 THR 53 HG21 THR 53 67.586 -1.914 -9.435 358 2HG2 THR 53 HG22 THR 53 66.127 -2.692 -8.824 359 3HG2 THR 53 HG23 THR 53 67.430 -3.669 -9.500 360 H GLY 54 HN GLY 54 64.583 -4.300 -6.452 361 1HA GLY 54 HA2 GLY 54 63.973 -6.371 -5.495 362 2HA GLY 54 HA1 GLY 54 65.447 -6.937 -6.290 363 H SER 55 HN SER 55 64.154 -5.623 -3.278 364 HA SER 55 HA SER 55 66.326 -6.985 -1.790 365 1HB SER 55 HB2 SER 55 66.890 -4.842 -0.645 366 2HB SER 55 HB1 SER 55 67.223 -4.779 -2.373 367 HG SER 55 HG SER 55 65.187 -3.745 -2.625 368 H ARG 56 HN ARG 56 65.325 -7.986 -0.093 369 HA ARG 56 HA ARG 56 62.634 -7.122 0.756 370 1HB ARG 56 HB2 ARG 56 63.030 -9.478 0.512 371 2HB ARG 56 HB1 ARG 56 64.522 -9.389 1.448 372 1HG ARG 56 HG2 ARG 56 63.385 -9.134 3.482 373 2HG ARG 56 HG1 ARG 56 61.911 -8.569 2.695 374 1HD ARG 56 HD2 ARG 56 61.113 -10.686 2.556 375 2HD ARG 56 HD1 ARG 56 62.605 -11.245 1.777 376 HE ARG 56 HE ARG 56 62.722 -10.746 4.697 377 1HH1 ARG 56 HH2 ARG 56 61.614 -13.091 2.529 378 2HH1 ARG 56 HH2 ARG 56 62.528 -14.394 3.212 379 1HH2 ARG 56 HH1 ARG 56 64.309 -12.362 5.383 380 2HH2 ARG 56 HH1 ARG 56 64.052 -13.981 4.827 381 H ILE 57 HN ILE 57 62.866 -5.196 1.955 382 HA ILE 57 HA ILE 57 64.988 -4.927 3.964 383 HB ILE 57 HB ILE 57 62.572 -3.241 3.229 384 1HG1 ILE 57 HG12 ILE 57 65.044 -2.033 2.531 385 2HG1 ILE 57 HG11 ILE 57 65.132 -3.706 1.978 386 1HG2 ILE 57 HG21 ILE 57 63.153 -2.501 5.381 387 2HG2 ILE 57 HG22 ILE 57 64.131 -1.457 4.349 388 3HG2 ILE 57 HG23 ILE 57 64.864 -2.851 5.143 389 1HD1 ILE 57 HD1 ILE 57 62.595 -2.225 1.459 390 2HD1 ILE 57 HD1 ILE 57 63.402 -3.449 0.479 391 3HD1 ILE 57 HD1 ILE 57 64.002 -1.790 0.488 392 H SER 58 HN SER 58 62.615 -6.980 4.130 393 HA SER 58 HA SER 58 60.781 -6.519 6.128 394 1HB SER 58 HB2 SER 58 62.500 -8.776 5.263 395 2HB SER 58 HB1 SER 58 61.754 -8.961 6.848 396 HG SER 58 HG SER 58 60.562 -9.612 4.804 397 H GLY 59 HN GLY 59 60.844 -6.686 8.483 398 1HA GLY 59 HA2 GLY 59 62.908 -7.173 10.205 399 2HA GLY 59 HA1 GLY 59 63.289 -5.550 9.632 400 HA PRO 60 HA PRO 60 59.841 -5.620 12.905 401 1HB PRO 60 HB2 PRO 60 61.289 -5.465 15.222 402 2HB PRO 60 HB1 PRO 60 60.753 -7.004 14.519 403 1HG PRO 60 HG2 PRO 60 63.427 -5.708 14.423 404 2HG PRO 60 HG1 PRO 60 63.007 -7.422 14.562 405 1HD PRO 60 HD2 PRO 60 63.827 -6.230 12.236 406 2HD PRO 60 HD1 PRO 60 62.815 -7.688 12.303 407 H GLY 61 HN GLY 61 60.718 -3.550 11.336 408 1HA GLY 61 HA2 GLY 61 60.182 -1.169 11.971 409 2HA GLY 61 HA1 GLY 61 61.324 -1.379 13.300 410 H CYS 62 HN CYS 62 62.091 -2.851 10.248 411 HA CYS 62 HA CYS 62 64.643 -1.914 9.882 412 1HB CYS 62 HB2 CYS 62 62.632 -3.140 8.357 413 2HB CYS 62 HB1 CYS 62 63.152 -1.763 7.385 414 H LYS 63 HN LYS 63 65.278 0.227 10.253 415 HA LYS 63 HA LYS 63 63.632 2.411 9.048 416 1HB LYS 63 HB2 LYS 63 64.236 2.456 11.467 417 2HB LYS 63 HB1 LYS 63 65.943 2.460 11.018 418 1HG LYS 63 HG2 LYS 63 65.523 4.558 9.697 419 2HG LYS 63 HG1 LYS 63 63.887 4.586 10.356 420 1HD LYS 63 HD2 LYS 63 64.827 4.645 12.649 421 2HD LYS 63 HD1 LYS 63 66.454 4.667 11.969 422 1HE LYS 63 HE2 LYS 63 66.270 6.934 11.953 423 2HE LYS 63 HE1 LYS 63 65.114 6.731 10.621 424 1HZ LYS 63 HZ1 LYS 63 64.267 6.349 13.423 425 2HZ LYS 63 HZ2 LYS 63 63.317 6.714 12.065 426 3HZ LYS 63 HZ3 LYS 63 64.315 7.906 12.753 427 H ILE 64 HN ILE 64 64.344 3.208 7.099 428 HA ILE 64 HA ILE 64 67.278 3.048 6.516 429 HB ILE 64 HB ILE 64 64.955 2.676 4.604 430 1HG1 ILE 64 HG12 ILE 64 66.006 0.250 4.680 431 2HG1 ILE 64 HG11 ILE 64 66.542 0.763 6.280 432 1HG2 ILE 64 HG21 ILE 64 67.568 3.348 4.055 433 2HG2 ILE 64 HG22 ILE 64 66.481 2.521 2.940 434 3HG2 ILE 64 HG23 ILE 64 67.600 1.589 3.935 435 1HD1 ILE 64 HD1 ILE 64 64.126 -0.353 5.863 436 2HD1 ILE 64 HD1 ILE 64 63.705 1.334 5.575 437 3HD1 ILE 64 HD1 ILE 64 64.403 0.851 7.120 438 H SER 65 HN SER 65 68.173 4.942 5.633 439 HA SER 65 HA SER 65 66.308 7.075 4.722 440 1HB SER 65 HB2 SER 65 66.765 8.405 6.495 441 2HB SER 65 HB1 SER 65 67.388 6.949 7.268 442 HG SER 65 HG SER 65 69.437 7.470 6.354 443 H THR 66 HN THR 66 67.027 7.465 2.695 444 HA THR 66 HA THR 66 68.486 7.855 0.891 445 HB THR 66 HB THR 66 70.300 9.059 2.959 446 HG1 THR 66 HG1 THR 66 68.000 10.378 2.048 447 1HG2 THR 66 HG21 THR 66 71.156 9.830 1.014 448 2HG2 THR 66 HG22 THR 66 69.740 10.880 0.952 449 3HG2 THR 66 HG23 THR 66 69.731 9.334 0.099 450 H CYS 67 HN CYS 67 69.022 5.506 0.732 451 HA CYS 67 HA CYS 67 71.943 5.081 1.170 452 1HB CYS 67 HB2 CYS 67 70.795 3.914 3.013 453 2HB CYS 67 HB1 CYS 67 69.710 3.131 1.877 454 H ILE 68 HN ILE 68 72.879 4.123 -0.638 455 HA ILE 68 HA ILE 68 71.088 3.610 -2.936 456 HB ILE 68 HB ILE 68 74.094 3.802 -2.562 457 1HG1 ILE 68 HG12 ILE 68 73.753 5.839 -3.996 458 2HG1 ILE 68 HG11 ILE 68 72.012 5.567 -3.904 459 1HG2 ILE 68 HG21 ILE 68 74.302 2.713 -4.524 460 2HG2 ILE 68 HG22 ILE 68 73.344 3.979 -5.292 461 3HG2 ILE 68 HG23 ILE 68 72.550 2.545 -4.641 462 1HD1 ILE 68 HD1 ILE 68 73.098 7.220 -2.207 463 2HD1 ILE 68 HD1 ILE 68 73.658 5.760 -1.390 464 3HD1 ILE 68 HD1 ILE 68 71.930 6.042 -1.605 465 H ILE 69 HN ILE 69 70.161 1.646 -2.198 466 HA ILE 69 HA ILE 69 71.931 -0.687 -1.727 467 HB ILE 69 HB ILE 69 68.909 -0.459 -1.660 468 1HG1 ILE 69 HG12 ILE 69 70.695 -0.061 0.752 469 2HG1 ILE 69 HG11 ILE 69 70.236 1.306 -0.257 470 1HG2 ILE 69 HG21 ILE 69 70.086 -2.718 -1.551 471 2HG2 ILE 69 HG22 ILE 69 69.009 -2.346 -0.206 472 3HG2 ILE 69 HG23 ILE 69 70.755 -2.190 -0.007 473 1HD1 ILE 69 HD1 ILE 69 68.733 0.213 1.821 474 2HD1 ILE 69 HD1 ILE 69 67.941 -0.367 0.355 475 3HD1 ILE 69 HD1 ILE 69 68.169 1.364 0.610 476 H THR 70 HN THR 70 71.540 -2.692 -2.966 477 HA THR 70 HA THR 70 69.897 -2.635 -5.386 478 HB THR 70 HB THR 70 72.883 -2.195 -5.413 479 HG1 THR 70 HG1 THR 70 72.322 -0.418 -6.455 480 1HG2 THR 70 HG21 THR 70 71.977 -2.527 -8.065 481 2HG2 THR 70 HG22 THR 70 71.364 -3.915 -7.167 482 3HG2 THR 70 HG23 THR 70 73.093 -3.566 -7.181 483 H GLY 71 HN GLY 71 69.120 -4.723 -5.021 484 1HA GLY 71 HA2 GLY 71 69.304 -7.095 -5.293 485 2HA GLY 71 HA1 GLY 71 71.061 -6.924 -5.273 486 H GLY 72 HN GLY 72 68.906 -5.547 -2.855 487 1HA GLY 72 HA2 GLY 72 68.638 -6.077 -0.585 488 2HA GLY 72 HA1 GLY 72 69.276 -7.682 -0.941 489 H VAL 73 HN VAL 73 71.165 -4.962 -1.936 490 HA VAL 73 HA VAL 73 72.998 -5.405 0.401 491 HB VAL 73 HB VAL 73 74.830 -5.362 -1.146 492 1HG1 VAL 73 HG11 VAL 73 74.442 -7.410 -2.057 493 2HG1 VAL 73 HG12 VAL 73 73.008 -6.856 -2.922 494 3HG1 VAL 73 HG13 VAL 73 72.894 -7.300 -1.219 495 1HG2 VAL 73 HG21 VAL 73 74.010 -5.094 -3.694 496 2HG2 VAL 73 HG22 VAL 73 74.492 -3.708 -2.717 497 3HG2 VAL 73 HG23 VAL 73 72.782 -4.098 -2.913 498 HA PRO 74 HA PRO 74 72.393 -0.969 0.597 499 1HB PRO 74 HB2 PRO 74 73.665 -0.633 2.994 500 2HB PRO 74 HB1 PRO 74 72.008 -1.248 2.866 501 1HG PRO 74 HG2 PRO 74 74.531 -2.707 3.388 502 2HG PRO 74 HG1 PRO 74 72.896 -3.027 3.981 503 1HD PRO 74 HD2 PRO 74 74.144 -4.403 1.930 504 2HD PRO 74 HD1 PRO 74 72.390 -4.350 2.211 505 H ALA 75 HN ALA 75 73.773 0.720 -0.039 506 HA ALA 75 HA ALA 75 76.613 0.002 -0.556 507 1HB ALA 75 HB1 ALA 75 74.759 2.246 -1.415 508 2HB ALA 75 HB2 ALA 75 75.355 0.914 -2.406 509 3HB ALA 75 HB3 ALA 75 76.461 2.179 -1.872 510 HA PRO 76 HA PRO 76 77.843 2.380 2.960 511 1HB PRO 76 HB2 PRO 76 80.505 2.585 2.360 512 2HB PRO 76 HB1 PRO 76 79.765 1.093 2.977 513 1HG PRO 76 HG2 PRO 76 80.521 1.818 0.194 514 2HG PRO 76 HG1 PRO 76 80.632 0.259 1.025 515 1HD PRO 76 HD2 PRO 76 78.660 0.899 -0.763 516 2HD PRO 76 HD1 PRO 76 78.470 -0.300 0.536 517 H SER 77 HN SER 77 76.524 4.166 1.728 518 HA SER 77 HA SER 77 78.284 6.176 0.418 519 1HB SER 77 HB2 SER 77 75.960 5.308 -0.386 520 2HB SER 77 HB1 SER 77 75.305 6.365 0.862 521 HG SER 77 HG SER 77 75.455 7.686 -0.838 522 H ALA 78 HN ALA 78 77.928 8.495 1.116 523 HA ALA 78 HA ALA 78 78.424 8.831 3.918 524 1HB ALA 78 HB1 ALA 78 78.555 10.291 1.525 525 2HB ALA 78 HB2 ALA 78 79.064 10.847 3.120 526 3HB ALA 78 HB3 ALA 78 77.433 11.193 2.545 527 H ALA 79 HN ALA 79 75.480 8.495 2.152 528 HA ALA 79 HA ALA 79 73.923 9.698 4.413 529 1HB ALA 79 HB1 ALA 79 72.366 10.341 2.813 530 2HB ALA 79 HB2 ALA 79 72.746 8.984 1.753 531 3HB ALA 79 HB3 ALA 79 73.835 10.368 1.837 532 H CYS 80 HN CYS 80 74.206 6.833 2.312 533 HA CYS 80 HA CYS 80 72.010 5.305 3.017 534 1HB CYS 80 HB2 CYS 80 73.677 4.521 1.473 535 2HB CYS 80 HB1 CYS 80 74.923 4.554 2.719 536 H LYS 81 HN LYS 81 71.178 4.588 4.921 537 HA LYS 81 HA LYS 81 72.818 4.793 7.385 538 1HB LYS 81 HB2 LYS 81 70.779 5.150 8.396 539 2HB LYS 81 HB1 LYS 81 70.304 5.563 6.753 540 1HG LYS 81 HG2 LYS 81 69.873 2.930 8.190 541 2HG LYS 81 HG1 LYS 81 68.642 4.047 7.608 542 1HD LYS 81 HD2 LYS 81 68.746 3.228 5.482 543 2HD LYS 81 HD1 LYS 81 70.495 3.110 5.514 544 1HE LYS 81 HE2 LYS 81 70.022 1.148 7.214 545 2HE LYS 81 HE1 LYS 81 68.470 1.096 6.356 546 1HZ LYS 81 HZ1 LYS 81 69.600 0.971 4.270 547 2HZ LYS 81 HZ2 LYS 81 70.232 -0.248 5.271 548 3HZ LYS 81 HZ3 LYS 81 71.113 1.181 5.007 549 H ILE 82 HN ILE 82 71.859 2.866 8.996 550 HA ILE 82 HA ILE 82 71.453 0.263 7.904 551 HB ILE 82 HB ILE 82 73.911 1.206 7.243 552 1HG1 ILE 82 HG12 ILE 82 74.559 -1.218 7.012 553 2HG1 ILE 82 HG11 ILE 82 73.103 -1.630 7.918 554 1HG2 ILE 82 HG21 ILE 82 75.582 0.761 8.736 555 2HG2 ILE 82 HG22 ILE 82 74.717 -0.593 9.462 556 3HG2 ILE 82 HG23 ILE 82 74.291 1.061 9.901 557 1HD1 ILE 82 HD1 ILE 82 71.949 -0.051 6.111 558 2HD1 ILE 82 HD1 ILE 82 72.268 -1.749 5.758 559 3HD1 ILE 82 HD1 ILE 82 73.360 -0.502 5.155 560 H SER 83 HN SER 83 70.563 1.849 10.141 561 HA SER 83 HA SER 83 71.742 0.459 12.503 562 1HB SER 83 HB2 SER 83 70.149 2.961 12.014 563 2HB SER 83 HB1 SER 83 70.245 2.273 13.632 564 HG SER 83 HG SER 83 72.219 3.443 12.046 565 H GLY 84 HN GLY 84 70.571 -1.583 12.149 566 1HA GLY 84 HA2 GLY 84 68.813 -2.919 13.060 567 2HA GLY 84 HA1 GLY 84 67.859 -1.456 13.296 568 H CYS 85 HN CYS 85 69.363 -2.970 10.419 569 HA CYS 85 HA CYS 85 66.765 -3.581 9.272 570 1HB CYS 85 HB2 CYS 85 67.116 -1.037 9.119 571 2HB CYS 85 HB1 CYS 85 68.387 -1.393 7.955 572 H THR 86 HN THR 86 67.093 -4.329 6.912 573 HA THR 86 HA THR 86 69.742 -4.929 5.940 574 HB THR 86 HB THR 86 69.699 -6.342 7.967 575 HG1 THR 86 HG1 THR 86 70.514 -7.051 5.784 576 1HG2 THR 86 HG21 THR 86 67.730 -7.229 8.607 577 2HG2 THR 86 HG22 THR 86 67.846 -8.349 7.251 578 3HG2 THR 86 HG23 THR 86 67.000 -6.814 7.056 579 H PHE 87 HN PHE 87 69.628 -6.288 4.012 580 HA PHE 87 HA PHE 87 66.838 -6.617 2.954 581 1HB PHE 87 HB2 PHE 87 69.226 -5.990 1.238 582 2HB PHE 87 HB1 PHE 87 67.528 -5.680 0.908 583 HD1 PHE 87 HD1 PHE 87 70.201 -3.855 1.047 584 HD2 PHE 87 HD2 PHE 87 66.716 -4.397 3.499 585 HE1 PHE 87 HE1 PHE 87 70.453 -1.550 1.917 586 HE2 PHE 87 HE2 PHE 87 66.975 -2.091 4.378 587 HZ PHE 87 HZ PHE 87 68.843 -0.667 3.584 588 H SER 88 HN SER 88 66.544 -8.437 1.551 589 HA SER 88 HA SER 88 68.835 -10.364 1.410 590 1HB SER 88 HB2 SER 88 66.851 -10.641 3.184 591 2HB SER 88 HB1 SER 88 66.018 -11.317 1.788 592 HG SER 88 HG SER 88 68.600 -12.105 2.672 593 H ALA 89 HN ALA 89 67.605 -8.440 -0.544 594 HA ALA 89 HA ALA 89 66.861 -8.429 -2.784 595 1HB ALA 89 HB1 ALA 89 68.222 -11.110 -2.450 596 2HB ALA 89 HB2 ALA 89 68.911 -9.623 -3.108 597 3HB ALA 89 HB3 ALA 89 67.684 -10.506 -4.018 598 H ASN 90 HN ASN 90 64.594 -8.421 -2.070 599 HA ASN 90 HA ASN 90 63.091 -10.838 -1.639 600 1HB ASN 90 HB2 ASN 90 61.343 -9.330 -1.330 601 2HB ASN 90 HB1 ASN 90 62.719 -8.251 -1.129 602 1HD2 ASN 90 HD2 ASN 90 63.557 -7.597 -3.611 603 2HD2 ASN 90 HD2 ASN 90 62.310 -6.932 -4.550
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