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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 | cing | stage | position | program | type |
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4861 |
1fyc ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 1H GLY 1 HT1 GLY 1 23.330 10.123 10.123 2 2H GLY 1 HT3 GLY 1 24.827 9.982 9.982 3 3H GLY 1 HT2 GLY 1 23.809 8.629 8.629 4 1HA GLY 1 HA2 GLY 1 23.926 9.737 9.737 5 2HA GLY 1 HA1 GLY 1 22.920 10.967 10.967 6 H SER 2 HN SER 2 21.757 8.168 8.168 7 HA SER 2 HA SER 2 19.167 9.276 9.276 8 1HB SER 2 HB2 SER 2 19.949 6.352 6.352 9 2HB SER 2 HB1 SER 2 18.342 6.967 6.967 10 HG SER 2 HG SER 2 18.974 7.325 7.325 11 H ASN 3 HN ASN 3 17.621 7.524 7.524 12 HA ASN 3 HA ASN 3 18.692 7.496 7.496 13 1HB ASN 3 HB2 ASN 3 17.571 9.814 9.814 14 2HB ASN 3 HB1 ASN 3 16.080 8.918 8.918 15 1HD2 ASN 3 HD22 ASN 3 18.661 9.089 9.089 16 2HD2 ASN 3 HD21 ASN 3 19.285 8.778 8.778 17 H MET 4 HN MET 4 18.321 5.221 5.221 18 HA MET 4 HA MET 4 15.429 4.481 4.481 19 1HB MET 4 HB2 MET 4 16.304 2.234 2.234 20 2HB MET 4 HB1 MET 4 16.000 3.605 3.605 21 1HG MET 4 HG2 MET 4 18.299 4.130 4.130 22 2HG MET 4 HG1 MET 4 18.714 3.158 3.158 23 1HE MET 4 HE2 MET 4 17.257 3.382 3.382 24 2HE MET 4 HE1 MET 4 18.888 3.042 3.042 25 3HE MET 4 HE3 MET 4 17.586 1.878 1.878 26 H SER 5 HN SER 5 15.007 2.599 2.599 27 HA SER 5 HA SER 5 17.140 1.340 1.340 28 1HB SER 5 HB2 SER 5 15.355 3.269 3.269 29 2HB SER 5 HB1 SER 5 16.643 2.276 2.276 30 HG SER 5 HG SER 5 16.775 4.568 4.568 31 H TYR 6 HN TYR 6 16.345 -0.674 -0.674 32 HA TYR 6 HA TYR 6 14.816 -2.411 -2.411 33 1HB TYR 6 HB2 TYR 6 14.265 -0.419 -0.419 34 2HB TYR 6 HB1 TYR 6 12.691 -0.785 -0.785 35 HD1 TYR 6 HD2 TYR 6 15.753 -2.773 -2.773 36 HD2 TYR 6 HD1 TYR 6 11.487 -2.367 -2.367 37 HE1 TYR 6 HE2 TYR 6 15.647 -4.874 -4.874 38 HE2 TYR 6 HE1 TYR 6 11.381 -4.468 -4.468 39 HH TYR 6 HH TYR 6 12.711 -6.495 -6.495 40 HA PRO 7 HA PRO 7 11.968 -2.131 -2.131 41 1HB PRO 7 HB2 PRO 7 10.523 -4.413 -4.413 42 2HB PRO 7 HB1 PRO 7 12.157 -4.422 -4.422 43 1HG PRO 7 HG2 PRO 7 11.280 -5.103 -5.103 44 2HG PRO 7 HG1 PRO 7 12.699 -5.667 -5.667 45 1HD PRO 7 HD2 PRO 7 12.693 -3.672 -3.672 46 2HD PRO 7 HD1 PRO 7 14.022 -4.014 -4.014 47 HA PRO 8 HA PRO 8 8.257 -0.349 -0.349 48 1HB PRO 8 HB2 PRO 8 6.731 -0.467 -0.467 49 2HB PRO 8 HB1 PRO 8 8.042 0.701 0.701 50 1HG PRO 8 HG2 PRO 8 8.000 -1.745 -1.745 51 2HG PRO 8 HG1 PRO 8 8.959 -0.266 -0.266 52 1HD PRO 8 HD2 PRO 8 9.891 -2.729 -2.729 53 2HD PRO 8 HD1 PRO 8 10.723 -1.163 -1.163 54 H HIS 9 HN HIS 9 5.969 -0.892 -0.892 55 HA HIS 9 HA HIS 9 4.681 -3.284 -3.284 56 1HB HIS 9 HB2 HIS 9 6.827 -3.887 -3.887 57 2HB HIS 9 HB1 HIS 9 5.476 -3.840 -3.840 58 HD1 HIS 9 HD1 HIS 9 7.013 -5.926 -5.926 59 HD2 HIS 9 HD2 HIS 9 3.259 -5.626 -5.626 60 HE1 HIS 9 HE1 HIS 9 5.779 -8.065 -8.065 61 H MET 10 HN MET 10 3.065 -1.576 -1.576 62 HA MET 10 HA MET 10 2.296 -0.327 -0.327 63 1HB MET 10 HB2 MET 10 1.268 -0.444 -0.444 64 2HB MET 10 HB1 MET 10 0.082 -0.091 -0.091 65 1HG MET 10 HG2 MET 10 0.940 2.037 2.037 66 2HG MET 10 HG1 MET 10 1.730 1.674 1.674 67 1HE MET 10 HE2 MET 10 3.753 1.491 1.491 68 2HE MET 10 HE1 MET 10 4.432 0.084 0.084 69 3HE MET 10 HE3 MET 10 5.213 1.663 1.663 70 H GLN 11 HN GLN 11 1.894 -2.040 -2.040 71 HA GLN 11 HA GLN 11 0.451 -4.395 -4.395 72 1HB GLN 11 HB2 GLN 11 -0.205 -2.704 -2.704 73 2HB GLN 11 HB1 GLN 11 0.041 -4.446 -4.446 74 1HG GLN 11 HG2 GLN 11 2.483 -3.450 -3.450 75 2HG GLN 11 HG1 GLN 11 2.011 -2.309 -2.309 76 1HE2 GLN 11 HE22 GLN 11 3.393 -4.675 -4.675 77 2HE2 GLN 11 HE21 GLN 11 3.580 -3.147 -3.147 78 H VAL 12 HN VAL 12 -1.616 -4.884 -4.884 79 HA VAL 12 HA VAL 12 -3.449 -3.000 -3.000 80 HB VAL 12 HB VAL 12 -5.100 -4.886 -4.886 81 1HG1 VAL 12 HG12 VAL 12 -2.596 -4.922 -4.922 82 2HG1 VAL 12 HG11 VAL 12 -3.201 -6.546 -6.546 83 3HG1 VAL 12 HG13 VAL 12 -4.216 -5.382 -5.382 84 1HG2 VAL 12 HG21 VAL 12 -3.903 -5.641 -5.641 85 2HG2 VAL 12 HG23 VAL 12 -4.392 -6.920 -6.920 86 3HG2 VAL 12 HG22 VAL 12 -2.712 -6.389 -6.389 87 H LEU 13 HN LEU 13 -2.827 -4.159 -4.159 88 HA LEU 13 HA LEU 13 -5.204 -3.091 -3.091 89 1HB LEU 13 HB2 LEU 13 -3.924 -3.259 -3.259 90 2HB LEU 13 HB1 LEU 13 -3.842 -4.739 -4.739 91 HG LEU 13 HG LEU 13 -1.727 -2.951 -2.951 92 1HD1 LEU 13 HD12 LEU 13 -2.222 -2.307 -2.307 93 2HD1 LEU 13 HD11 LEU 13 -1.439 -3.849 -3.849 94 3HD1 LEU 13 HD13 LEU 13 -0.559 -2.587 -2.587 95 1HD2 LEU 13 HD22 LEU 13 -1.878 -5.681 -5.681 96 2HD2 LEU 13 HD21 LEU 13 -1.698 -5.333 -5.333 97 3HD2 LEU 13 HD23 LEU 13 -0.382 -4.968 -4.968 98 H LEU 14 HN LEU 14 -5.501 -1.125 -1.125 99 HA LEU 14 HA LEU 14 -4.098 1.153 1.153 100 1HB LEU 14 HB2 LEU 14 -6.487 0.665 0.665 101 2HB LEU 14 HB1 LEU 14 -5.588 2.072 2.072 102 HG LEU 14 HG LEU 14 -7.166 2.792 2.792 103 1HD1 LEU 14 HD11 LEU 14 -4.687 3.609 3.609 104 2HD1 LEU 14 HD13 LEU 14 -4.520 2.698 2.698 105 3HD1 LEU 14 HD12 LEU 14 -5.677 4.025 4.025 106 1HD2 LEU 14 HD21 LEU 14 -6.456 0.277 0.277 107 2HD2 LEU 14 HD23 LEU 14 -7.718 1.398 1.398 108 3HD2 LEU 14 HD22 LEU 14 -6.088 1.549 1.549 109 HA PRO 15 HA PRO 15 -1.007 1.140 1.140 110 1HB PRO 15 HB2 PRO 15 0.383 3.303 3.303 111 2HB PRO 15 HB1 PRO 15 0.529 1.668 1.668 112 1HG PRO 15 HG2 PRO 15 -0.879 4.037 4.037 113 2HG PRO 15 HG1 PRO 15 -0.188 2.636 2.636 114 1HD PRO 15 HD2 PRO 15 -2.936 3.053 3.053 115 2HD PRO 15 HD1 PRO 15 -2.198 1.536 1.536 116 H ALA 16 HN ALA 16 -2.774 1.882 1.882 117 HA ALA 16 HA ALA 16 -2.711 4.838 4.838 118 1HB ALA 16 HB2 ALA 16 -4.712 2.752 2.752 119 2HB ALA 16 HB1 ALA 16 -4.784 4.466 4.466 120 3HB ALA 16 HB3 ALA 16 -4.967 3.950 3.950 121 H LEU 17 HN LEU 17 -3.401 2.111 2.111 122 HA LEU 17 HA LEU 17 -2.231 1.403 1.403 123 1HB LEU 17 HB2 LEU 17 -0.206 2.512 2.512 124 2HB LEU 17 HB1 LEU 17 -0.235 3.586 3.586 125 HG LEU 17 HG LEU 17 -0.495 1.106 1.106 126 1HD1 LEU 17 HD11 LEU 17 0.677 0.772 0.772 127 2HD1 LEU 17 HD13 LEU 17 1.784 0.253 0.253 128 3HD1 LEU 17 HD12 LEU 17 0.173 -0.456 -0.456 129 1HD2 LEU 17 HD23 LEU 17 1.093 3.189 3.189 130 2HD2 LEU 17 HD22 LEU 17 1.576 1.603 1.603 131 3HD2 LEU 17 HD21 LEU 17 2.241 2.211 2.211 132 H SER 18 HN SER 18 -3.900 4.132 4.132 133 HA SER 18 HA SER 18 -4.475 4.590 4.590 134 1HB SER 18 HB2 SER 18 -3.561 6.954 6.954 135 2HB SER 18 HB1 SER 18 -2.337 5.688 5.688 136 HG SER 18 HG SER 18 -1.556 6.549 6.549 137 HA PRO 19 HA PRO 19 -7.285 6.339 6.339 138 1HB PRO 19 HB2 PRO 19 -9.201 4.377 4.377 139 2HB PRO 19 HB1 PRO 19 -7.818 4.324 4.324 140 1HG PRO 19 HG2 PRO 19 -8.285 2.760 2.760 141 2HG PRO 19 HG1 PRO 19 -7.315 2.341 2.341 142 1HD PRO 19 HD2 PRO 19 -6.313 3.296 3.296 143 2HD PRO 19 HD1 PRO 19 -5.412 3.179 3.179 144 H THR 20 HN THR 20 -7.242 5.677 5.677 145 HA THR 20 HA THR 20 -8.527 6.479 6.479 146 HB THR 20 HB THR 20 -10.147 8.042 8.042 147 HG1 THR 20 HG1 THR 20 -8.290 8.831 8.831 148 1HG2 THR 20 HG23 THR 20 -10.836 8.081 8.081 149 2HG2 THR 20 HG22 THR 20 -9.220 8.623 8.623 150 3HG2 THR 20 HG21 THR 20 -10.256 9.660 9.660 151 H MET 21 HN MET 21 -9.444 4.317 4.317 152 HA MET 21 HA MET 21 -11.980 3.754 3.754 153 1HB MET 21 HB2 MET 21 -11.845 4.786 4.786 154 2HB MET 21 HB1 MET 21 -12.699 3.246 3.246 155 1HG MET 21 HG2 MET 21 -13.403 5.109 5.109 156 2HG MET 21 HG1 MET 21 -13.807 5.717 5.717 157 1HE MET 21 HE3 MET 21 -14.329 3.677 3.677 158 2HE MET 21 HE2 MET 21 -15.755 2.677 2.677 159 3HE MET 21 HE1 MET 21 -14.173 2.088 2.088 160 H THR 22 HN THR 22 -12.853 1.667 1.667 161 HA THR 22 HA THR 22 -10.538 -0.103 -0.103 162 HB THR 22 HB THR 22 -12.687 -0.751 -0.751 163 HG1 THR 22 HG1 THR 22 -11.259 0.291 0.291 164 1HG2 THR 22 HG22 THR 22 -10.793 -2.398 -2.398 165 2HG2 THR 22 HG21 THR 22 -10.765 -2.690 -2.690 166 3HG2 THR 22 HG23 THR 22 -12.271 -2.869 -2.869 167 H MET 23 HN MET 23 -12.822 1.120 1.120 168 HA MET 23 HA MET 23 -13.568 -1.293 -1.293 169 1HB MET 23 HB2 MET 23 -16.076 -0.644 -0.644 170 2HB MET 23 HB1 MET 23 -15.332 -1.532 -1.532 171 1HG MET 23 HG2 MET 23 -15.304 0.311 0.311 172 2HG MET 23 HG1 MET 23 -15.212 1.456 1.456 173 1HE MET 23 HE2 MET 23 -16.696 2.542 2.542 174 2HE MET 23 HE1 MET 23 -17.745 1.430 1.430 175 3HE MET 23 HE3 MET 23 -18.440 2.617 2.617 176 H GLY 24 HN GLY 24 -12.279 0.177 0.177 177 1HA GLY 24 HA2 GLY 24 -13.981 2.350 2.350 178 2HA GLY 24 HA1 GLY 24 -12.220 2.323 2.323 179 H THR 25 HN THR 25 -14.171 2.447 2.447 180 HA THR 25 HA THR 25 -13.302 -0.022 -0.022 181 HB THR 25 HB THR 25 -15.637 -0.355 -0.355 182 HG1 THR 25 HG1 THR 25 -16.315 -0.443 -0.443 183 1HG2 THR 25 HG22 THR 25 -15.679 2.563 2.563 184 2HG2 THR 25 HG21 THR 25 -17.006 1.812 1.812 185 3HG2 THR 25 HG23 THR 25 -16.788 1.473 1.473 186 H VAL 26 HN VAL 26 -12.592 0.343 0.343 187 HA VAL 26 HA VAL 26 -11.462 2.767 2.767 188 HB VAL 26 HB VAL 26 -12.764 0.978 0.978 189 1HG1 VAL 26 HG11 VAL 26 -10.221 2.624 2.624 190 2HG1 VAL 26 HG13 VAL 26 -10.618 1.527 1.527 191 3HG1 VAL 26 HG12 VAL 26 -11.637 2.932 2.932 192 1HG2 VAL 26 HG21 VAL 26 -10.541 0.404 0.404 193 2HG2 VAL 26 HG23 VAL 26 -11.737 -0.693 -0.693 194 3HG2 VAL 26 HG22 VAL 26 -10.365 -0.164 -0.164 195 H GLN 27 HN GLN 27 -12.283 4.724 4.724 196 HA GLN 27 HA GLN 27 -15.206 4.975 4.975 197 1HB GLN 27 HB2 GLN 27 -13.603 6.480 6.480 198 2HB GLN 27 HB1 GLN 27 -13.331 7.314 7.314 199 1HG GLN 27 HG2 GLN 27 -16.041 7.089 7.089 200 2HG GLN 27 HG1 GLN 27 -15.760 7.222 7.222 201 1HE2 GLN 27 HE22 GLN 27 -15.722 10.729 10.729 202 2HE2 GLN 27 HE21 GLN 27 -16.546 9.418 9.418 203 H ARG 28 HN ARG 28 -12.340 6.283 6.283 204 HA ARG 28 HA ARG 28 -13.682 5.645 5.645 205 1HB ARG 28 HB2 ARG 28 -13.655 8.025 8.025 206 2HB ARG 28 HB1 ARG 28 -14.806 7.723 7.723 207 1HG ARG 28 HG2 ARG 28 -12.680 8.362 8.362 208 2HG ARG 28 HG1 ARG 28 -12.256 9.268 9.268 209 1HD ARG 28 HD2 ARG 28 -14.941 9.456 9.456 210 2HD ARG 28 HD1 ARG 28 -13.618 10.596 10.596 211 HE ARG 28 HE ARG 28 -14.080 10.441 10.441 212 1HH1 ARG 28 HH11 ARG 28 -16.807 10.372 10.372 213 2HH1 ARG 28 HH12 ARG 28 -17.282 12.023 12.023 214 1HH2 ARG 28 HH21 ARG 28 -14.194 13.027 13.027 215 2HH2 ARG 28 HH22 ARG 28 -15.803 13.526 13.526 216 H TRP 29 HN TRP 29 -12.099 4.973 4.973 217 HA TRP 29 HA TRP 29 -9.804 6.540 6.540 218 1HB TRP 29 HB2 TRP 29 -8.091 5.675 5.675 219 2HB TRP 29 HB1 TRP 29 -9.393 5.359 5.359 220 HD1 TRP 29 HD1 TRP 29 -10.611 2.772 2.772 221 HE1 TRP 29 HE1 TRP 29 -9.269 0.593 0.593 222 HE3 TRP 29 HE3 TRP 29 -6.026 4.708 4.708 223 HZ2 TRP 29 HZ2 TRP 29 -6.581 -0.183 -0.183 224 HZ3 TRP 29 HZ3 TRP 29 -4.088 3.242 3.242 225 HH2 TRP 29 HH2 TRP 29 -4.370 0.793 0.793 226 H GLU 30 HN GLU 30 -11.769 5.382 5.382 227 HA GLU 30 HA GLU 30 -11.042 2.808 2.808 228 1HB GLU 30 HB2 GLU 30 -13.231 4.351 4.351 229 2HB GLU 30 HB1 GLU 30 -12.416 4.769 4.769 230 1HG GLU 30 HG2 GLU 30 -12.102 2.046 2.046 231 2HG GLU 30 HG1 GLU 30 -13.683 2.231 2.231 232 H LYS 31 HN LYS 31 -8.853 2.776 2.776 233 HA LYS 31 HA LYS 31 -7.676 4.828 4.828 234 1HB LYS 31 HB2 LYS 31 -6.317 3.573 3.573 235 2HB LYS 31 HB1 LYS 31 -6.639 2.080 2.080 236 1HG LYS 31 HG2 LYS 31 -5.517 2.964 2.964 237 2HG LYS 31 HG1 LYS 31 -5.264 4.513 4.513 238 1HD LYS 31 HD2 LYS 31 -4.264 2.027 2.027 239 2HD LYS 31 HD1 LYS 31 -3.350 2.677 2.677 240 1HE LYS 31 HE2 LYS 31 -2.374 3.857 3.857 241 2HE LYS 31 HE1 LYS 31 -3.678 4.964 4.964 242 1HZ LYS 31 HZ3 LYS 31 -4.779 3.142 3.142 243 2HZ LYS 31 HZ2 LYS 31 -3.266 3.536 3.536 244 3HZ LYS 31 HZ1 LYS 31 -4.393 4.761 4.761 245 H LYS 32 HN LYS 32 -6.645 4.117 4.117 246 HA LYS 32 HA LYS 32 -8.687 2.577 2.577 247 1HB LYS 32 HB2 LYS 32 -6.528 4.527 4.527 248 2HB LYS 32 HB1 LYS 32 -7.326 3.510 3.510 249 1HG LYS 32 HG2 LYS 32 -9.379 4.550 4.550 250 2HG LYS 32 HG1 LYS 32 -9.030 5.027 5.027 251 1HD LYS 32 HD2 LYS 32 -7.131 6.466 6.466 252 2HD LYS 32 HD1 LYS 32 -8.256 6.362 6.362 253 1HE LYS 32 HE2 LYS 32 -9.699 7.807 7.807 254 2HE LYS 32 HE1 LYS 32 -9.614 6.966 6.966 255 1HZ LYS 32 HZ3 LYS 32 -7.226 8.425 8.425 256 2HZ LYS 32 HZ2 LYS 32 -8.594 9.403 9.403 257 3HZ LYS 32 HZ1 LYS 32 -8.062 8.361 8.361 258 H VAL 33 HN VAL 33 -8.284 0.465 0.465 259 HA VAL 33 HA VAL 33 -6.363 -1.229 -1.229 260 HB VAL 33 HB VAL 33 -6.771 -2.494 -2.494 261 1HG1 VAL 33 HG13 VAL 33 -8.520 -1.900 -1.900 262 2HG1 VAL 33 HG12 VAL 33 -9.474 -1.514 -1.514 263 3HG1 VAL 33 HG11 VAL 33 -8.792 -3.129 -3.129 264 1HG2 VAL 33 HG21 VAL 33 -7.809 0.195 0.195 265 2HG2 VAL 33 HG23 VAL 33 -6.989 -1.018 -1.018 266 3HG2 VAL 33 HG22 VAL 33 -8.696 -1.213 -1.213 267 H GLY 34 HN GLY 34 -4.269 -1.730 -1.730 268 1HA GLY 34 HA2 GLY 34 -2.071 -1.244 -1.244 269 2HA GLY 34 HA1 GLY 34 -2.769 -1.329 -1.329 270 H GLU 35 HN GLU 35 -3.228 1.070 1.070 271 HA GLU 35 HA GLU 35 -3.112 3.270 3.270 272 1HB GLU 35 HB2 GLU 35 -4.148 3.054 3.054 273 2HB GLU 35 HB1 GLU 35 -2.574 3.703 3.703 274 1HG GLU 35 HG2 GLU 35 -3.217 5.323 5.323 275 2HG GLU 35 HG1 GLU 35 -4.810 5.013 5.013 276 H LYS 36 HN LYS 36 -1.310 4.791 4.791 277 HA LYS 36 HA LYS 36 1.272 3.927 3.927 278 1HB LYS 36 HB2 LYS 36 1.499 3.243 3.243 279 2HB LYS 36 HB1 LYS 36 0.692 4.690 4.690 280 1HG LYS 36 HG2 LYS 36 3.015 5.387 5.387 281 2HG LYS 36 HG1 LYS 36 3.459 4.303 4.303 282 1HD LYS 36 HD2 LYS 36 1.640 6.635 6.635 283 2HD LYS 36 HD1 LYS 36 3.383 6.889 6.889 284 1HE LYS 36 HE2 LYS 36 3.819 5.507 5.507 285 2HE LYS 36 HE1 LYS 36 2.265 4.683 4.683 286 1HZ LYS 36 HZ2 LYS 36 1.440 7.164 7.164 287 2HZ LYS 36 HZ1 LYS 36 2.914 7.237 7.237 288 3HZ LYS 36 HZ3 LYS 36 1.747 6.087 6.087 289 H LEU 37 HN LEU 37 1.341 5.598 5.598 290 HA LEU 37 HA LEU 37 1.263 8.372 8.372 291 1HB LEU 37 HB2 LEU 37 -0.157 7.241 7.241 292 2HB LEU 37 HB1 LEU 37 1.023 8.369 8.369 293 HG LEU 37 HG LEU 37 -0.964 9.632 9.632 294 1HD1 LEU 37 HD12 LEU 37 1.383 10.463 10.463 295 2HD1 LEU 37 HD11 LEU 37 0.762 10.177 10.177 296 3HD1 LEU 37 HD13 LEU 37 -0.047 11.328 11.328 297 1HD2 LEU 37 HD23 LEU 37 -0.891 8.033 8.033 298 2HD2 LEU 37 HD22 LEU 37 -2.264 8.427 8.427 299 3HD2 LEU 37 HD21 LEU 37 -1.601 9.646 9.646 300 H SER 38 HN SER 38 2.902 9.822 9.822 301 HA SER 38 HA SER 38 5.096 8.649 8.649 302 1HB SER 38 HB2 SER 38 6.185 10.272 10.272 303 2HB SER 38 HB1 SER 38 6.555 8.600 8.600 304 HG SER 38 HG SER 38 5.325 7.983 7.983 305 H GLU 39 HN GLU 39 2.948 10.773 10.773 306 HA GLU 39 HA GLU 39 4.760 12.840 12.840 307 1HB GLU 39 HB2 GLU 39 3.618 13.251 13.251 308 2HB GLU 39 HB1 GLU 39 2.472 14.038 14.038 309 1HG GLU 39 HG2 GLU 39 4.723 14.978 14.978 310 2HG GLU 39 HG1 GLU 39 5.331 14.705 14.705 311 H GLY 40 HN GLY 40 2.676 10.742 10.742 312 1HA GLY 40 HA2 GLY 40 1.571 10.932 10.932 313 2HA GLY 40 HA1 GLY 40 1.157 12.598 12.598 314 H ASP 41 HN ASP 41 0.389 9.219 9.219 315 HA ASP 41 HA ASP 41 -1.869 9.926 9.926 316 1HB ASP 41 HB2 ASP 41 -0.349 7.704 7.704 317 2HB ASP 41 HB1 ASP 41 -1.674 7.210 7.210 318 H LEU 42 HN LEU 42 -3.898 8.283 8.283 319 HA LEU 42 HA LEU 42 -5.070 9.808 9.808 320 1HB LEU 42 HB2 LEU 42 -6.948 8.265 8.265 321 2HB LEU 42 HB1 LEU 42 -6.387 8.666 8.666 322 HG LEU 42 HG LEU 42 -5.171 6.287 6.287 323 1HD1 LEU 42 HD12 LEU 42 -7.671 6.162 6.162 324 2HD1 LEU 42 HD11 LEU 42 -7.872 6.179 6.179 325 3HD1 LEU 42 HD13 LEU 42 -7.012 4.849 4.849 326 1HD2 LEU 42 HD23 LEU 42 -5.706 7.338 7.338 327 2HD2 LEU 42 HD22 LEU 42 -4.283 6.503 6.503 328 3HD2 LEU 42 HD21 LEU 42 -5.726 5.585 5.585 329 H LEU 43 HN LEU 43 -6.260 8.050 8.050 330 HA LEU 43 HA LEU 43 -4.289 6.187 6.187 331 1HB LEU 43 HB2 LEU 43 -4.090 7.426 7.426 332 2HB LEU 43 HB1 LEU 43 -3.356 8.284 8.284 333 HG LEU 43 HG LEU 43 -6.135 8.998 8.998 334 1HD1 LEU 43 HD11 LEU 43 -5.900 8.354 8.354 335 2HD1 LEU 43 HD13 LEU 43 -4.520 9.442 9.442 336 3HD1 LEU 43 HD12 LEU 43 -6.125 10.094 10.094 337 1HD2 LEU 43 HD21 LEU 43 -3.549 10.168 10.168 338 2HD2 LEU 43 HD23 LEU 43 -5.129 10.865 10.865 339 3HD2 LEU 43 HD22 LEU 43 -4.398 11.109 11.109 340 H ALA 44 HN ALA 44 -5.414 4.595 4.595 341 HA ALA 44 HA ALA 44 -8.200 4.444 4.444 342 1HB ALA 44 HB1 ALA 44 -6.483 2.606 2.606 343 2HB ALA 44 HB3 ALA 44 -6.473 3.273 3.273 344 3HB ALA 44 HB2 ALA 44 -7.965 2.619 2.619 345 H GLU 45 HN GLU 45 -9.210 6.356 6.356 346 HA GLU 45 HA GLU 45 -8.436 7.587 7.587 347 1HB GLU 45 HB2 GLU 45 -9.898 8.376 8.376 348 2HB GLU 45 HB1 GLU 45 -11.008 8.475 8.475 349 1HG GLU 45 HG2 GLU 45 -8.241 9.547 9.547 350 2HG GLU 45 HG1 GLU 45 -9.380 10.497 10.497 351 H ILE 46 HN ILE 46 -8.811 5.789 5.789 352 HA ILE 46 HA ILE 46 -11.494 4.645 4.645 353 HB ILE 46 HB ILE 46 -8.951 4.411 4.411 354 1HG1 ILE 46 HG12 ILE 46 -8.923 2.168 2.168 355 2HG1 ILE 46 HG11 ILE 46 -10.597 2.265 2.265 356 1HG2 ILE 46 HG21 ILE 46 -11.712 3.344 3.344 357 2HG2 ILE 46 HG23 ILE 46 -10.240 2.643 2.643 358 3HG2 ILE 46 HG22 ILE 46 -10.666 4.316 4.316 359 1HD1 ILE 46 HD11 ILE 46 -8.303 3.886 3.886 360 2HD1 ILE 46 HD13 ILE 46 -9.009 2.457 2.457 361 3HD1 ILE 46 HD12 ILE 46 -9.974 3.920 3.920 362 H GLU 47 HN GLU 47 -12.867 4.937 4.937 363 HA GLU 47 HA GLU 47 -12.270 7.099 7.099 364 1HB GLU 47 HB2 GLU 47 -13.132 8.179 8.179 365 2HB GLU 47 HB1 GLU 47 -14.696 7.492 7.492 366 1HG GLU 47 HG2 GLU 47 -13.485 8.786 8.786 367 2HG GLU 47 HG1 GLU 47 -13.591 9.908 9.908 368 H THR 48 HN THR 48 -14.110 7.351 7.351 369 HA THR 48 HA THR 48 -16.014 5.074 5.074 370 HB THR 48 HB THR 48 -15.332 4.213 4.213 371 HG1 THR 48 HG1 THR 48 -14.379 5.399 5.399 372 1HG2 THR 48 HG23 THR 48 -13.555 4.171 4.171 373 2HG2 THR 48 HG22 THR 48 -12.615 5.137 5.137 374 3HG2 THR 48 HG21 THR 48 -13.160 3.522 3.522 375 H ASP 49 HN ASP 49 -14.900 8.051 8.051 376 HA ASP 49 HA ASP 49 -17.240 9.501 9.501 377 1HB ASP 49 HB2 ASP 49 -17.443 7.266 7.266 378 2HB ASP 49 HB1 ASP 49 -17.797 8.832 8.832 379 H LYS 50 HN LYS 50 -14.442 8.509 8.509 380 HA LYS 50 HA LYS 50 -14.078 11.339 11.339 381 1HB LYS 50 HB2 LYS 50 -14.499 9.044 9.044 382 2HB LYS 50 HB1 LYS 50 -12.906 9.747 9.747 383 1HG LYS 50 HG2 LYS 50 -15.501 11.316 11.316 384 2HG LYS 50 HG1 LYS 50 -14.669 10.798 10.798 385 1HD LYS 50 HD2 LYS 50 -12.660 12.073 12.073 386 2HD LYS 50 HD1 LYS 50 -13.542 12.635 12.635 387 1HE LYS 50 HE2 LYS 50 -15.068 13.064 13.064 388 2HE LYS 50 HE1 LYS 50 -13.499 13.866 13.866 389 1HZ LYS 50 HZ1 LYS 50 -15.427 14.100 14.100 390 2HZ LYS 50 HZ3 LYS 50 -15.235 15.250 15.250 391 3HZ LYS 50 HZ2 LYS 50 -13.956 14.935 14.935 392 H ALA 51 HN ALA 51 -12.954 9.346 9.346 393 HA ALA 51 HA ALA 51 -10.264 10.312 10.312 394 1HB ALA 51 HB2 ALA 51 -10.530 8.352 8.352 395 2HB ALA 51 HB1 ALA 51 -10.120 7.388 7.388 396 3HB ALA 51 HB3 ALA 51 -9.033 8.666 8.666 397 H THR 52 HN THR 52 -8.979 9.267 9.267 398 HA THR 52 HA THR 52 -10.410 7.457 7.457 399 HB THR 52 HB THR 52 -11.519 9.250 9.250 400 HG1 THR 52 HG1 THR 52 -10.572 9.490 9.490 401 1HG2 THR 52 HG21 THR 52 -9.216 10.837 10.837 402 2HG2 THR 52 HG23 THR 52 -10.205 11.528 11.528 403 3HG2 THR 52 HG22 THR 52 -10.947 11.072 11.072 404 H ILE 53 HN ILE 53 -8.812 6.149 6.149 405 HA ILE 53 HA ILE 53 -6.019 7.021 7.021 406 HB ILE 53 HB ILE 53 -6.788 4.503 4.503 407 1HG1 ILE 53 HG12 ILE 53 -8.404 4.380 4.380 408 2HG1 ILE 53 HG11 ILE 53 -7.030 3.422 3.422 409 1HG2 ILE 53 HG23 ILE 53 -4.729 5.312 5.312 410 2HG2 ILE 53 HG22 ILE 53 -4.902 3.670 3.670 411 3HG2 ILE 53 HG21 ILE 53 -4.446 4.981 4.981 412 1HD1 ILE 53 HD12 ILE 53 -6.485 6.066 6.066 413 2HD1 ILE 53 HD11 ILE 53 -8.186 5.793 5.793 414 3HD1 ILE 53 HD13 ILE 53 -6.953 4.713 4.713 415 H GLY 54 HN GLY 54 -4.648 6.538 6.538 416 1HA GLY 54 HA2 GLY 54 -6.079 6.962 6.962 417 2HA GLY 54 HA1 GLY 54 -5.059 8.306 8.306 418 H PHE 55 HN PHE 55 -5.001 5.815 5.815 419 HA PHE 55 HA PHE 55 -2.318 4.771 4.771 420 1HB PHE 55 HB2 PHE 55 -4.477 3.731 3.731 421 2HB PHE 55 HB1 PHE 55 -3.412 4.220 4.220 422 HD1 PHE 55 HD1 PHE 55 -0.833 3.919 3.919 423 HD2 PHE 55 HD2 PHE 55 -4.151 1.334 1.334 424 HE1 PHE 55 HE1 PHE 55 0.599 1.938 1.938 425 HE2 PHE 55 HE2 PHE 55 -2.718 -0.646 -0.646 426 HZ PHE 55 HZ PHE 55 -0.344 -0.344 -0.344 427 H GLU 56 HN GLU 56 -1.941 7.402 7.402 428 HA GLU 56 HA GLU 56 -1.650 8.755 8.755 429 1HB GLU 56 HB2 GLU 56 0.622 8.675 8.675 430 2HB GLU 56 HB1 GLU 56 0.068 10.037 10.037 431 1HG GLU 56 HG2 GLU 56 -2.209 9.454 9.454 432 2HG GLU 56 HG1 GLU 56 -0.989 8.998 8.998 433 H VAL 57 HN VAL 57 -1.002 7.792 7.792 434 HA VAL 57 HA VAL 57 1.288 5.913 5.913 435 HB VAL 57 HB VAL 57 -0.103 6.794 6.794 436 1HG1 VAL 57 HG11 VAL 57 1.914 5.216 5.216 437 2HG1 VAL 57 HG13 VAL 57 0.819 4.053 4.053 438 3HG1 VAL 57 HG12 VAL 57 0.512 4.627 4.627 439 1HG2 VAL 57 HG23 VAL 57 -1.795 6.236 6.236 440 2HG2 VAL 57 HG22 VAL 57 -1.928 5.305 5.305 441 3HG2 VAL 57 HG21 VAL 57 -1.157 4.595 4.595 442 H GLN 58 HN GLN 58 2.565 7.959 7.959 443 HA GLN 58 HA GLN 58 3.173 10.177 10.177 444 1HB GLN 58 HB2 GLN 58 4.999 8.353 8.353 445 2HB GLN 58 HB1 GLN 58 5.594 9.829 9.829 446 1HG GLN 58 HG2 GLN 58 3.906 11.146 11.146 447 2HG GLN 58 HG1 GLN 58 3.324 9.670 9.670 448 1HE2 GLN 58 HE22 GLN 58 5.986 9.520 9.520 449 2HE2 GLN 58 HE21 GLN 58 4.627 8.731 8.731 450 H GLU 59 HN GLU 59 3.464 10.271 10.271 451 HA GLU 59 HA GLU 59 4.093 9.592 9.592 452 1HB GLU 59 HB2 GLU 59 6.704 8.845 8.845 453 2HB GLU 59 HB1 GLU 59 6.442 9.573 9.573 454 1HG GLU 59 HG2 GLU 59 5.590 11.629 11.629 455 2HG GLU 59 HG1 GLU 59 5.943 10.904 10.904 456 H GLU 60 HN GLU 60 2.643 7.682 7.682 457 HA GLU 60 HA GLU 60 3.842 5.302 5.302 458 1HB GLU 60 HB2 GLU 60 3.706 5.570 5.570 459 2HB GLU 60 HB1 GLU 60 3.075 4.053 4.053 460 1HG GLU 60 HG2 GLU 60 5.143 3.298 3.298 461 2HG GLU 60 HG1 GLU 60 5.572 4.807 4.807 462 H GLY 61 HN GLY 61 2.040 3.356 3.356 463 1HA GLY 61 HA2 GLY 61 -0.337 2.962 2.962 464 2HA GLY 61 HA1 GLY 61 -0.652 4.593 4.593 465 H TYR 62 HN TYR 62 0.971 1.658 1.658 466 HA TYR 62 HA TYR 62 -0.053 2.271 2.271 467 1HB TYR 62 HB2 TYR 62 2.201 1.472 1.472 468 2HB TYR 62 HB1 TYR 62 1.812 0.158 0.158 469 HD1 TYR 62 HD1 TYR 62 1.405 1.404 1.404 470 HD2 TYR 62 HD2 TYR 62 0.817 -1.894 -1.894 471 HE1 TYR 62 HE1 TYR 62 0.907 -0.076 -0.076 472 HE2 TYR 62 HE2 TYR 62 0.319 -3.375 -3.375 473 HH TYR 62 HH TYR 62 -0.618 -2.907 -2.907 474 H LEU 63 HN LEU 63 -1.360 1.007 1.007 475 HA LEU 63 HA LEU 63 -3.113 -0.465 -0.465 476 1HB LEU 63 HB2 LEU 63 -3.934 0.984 0.984 477 2HB LEU 63 HB1 LEU 63 -3.786 -0.552 -0.552 478 HG LEU 63 HG LEU 63 -5.145 -0.541 -0.541 479 1HD1 LEU 63 HD13 LEU 63 -5.958 1.232 1.232 480 2HD1 LEU 63 HD12 LEU 63 -7.023 -0.161 -0.161 481 3HD1 LEU 63 HD11 LEU 63 -6.928 0.669 0.669 482 1HD2 LEU 63 HD23 LEU 63 -5.146 -2.136 -2.136 483 2HD2 LEU 63 HD22 LEU 63 -5.051 -2.701 -2.701 484 3HD2 LEU 63 HD21 LEU 63 -6.594 -2.163 -2.163 485 H ALA 64 HN ALA 64 -1.267 -2.026 -2.026 486 HA ALA 64 HA ALA 64 -0.879 -4.029 -4.029 487 1HB ALA 64 HB2 ALA 64 0.406 -3.302 -3.302 488 2HB ALA 64 HB1 ALA 64 0.287 -5.043 -5.043 489 3HB ALA 64 HB3 ALA 64 1.107 -4.034 -4.034 490 H LYS 65 HN LYS 65 -1.837 -4.290 -4.290 491 HA LYS 65 HA LYS 65 -3.638 -6.527 -6.527 492 1HB LYS 65 HB2 LYS 65 -1.603 -6.915 -6.915 493 2HB LYS 65 HB1 LYS 65 -2.663 -6.183 -6.183 494 1HG LYS 65 HG2 LYS 65 -4.320 -7.871 -7.871 495 2HG LYS 65 HG1 LYS 65 -3.572 -8.462 -8.462 496 1HD LYS 65 HD2 LYS 65 -2.789 -10.036 -10.036 497 2HD LYS 65 HD1 LYS 65 -1.488 -8.848 -8.848 498 1HE LYS 65 HE2 LYS 65 -2.068 -8.145 -8.145 499 2HE LYS 65 HE1 LYS 65 -3.791 -8.397 -8.397 500 1HZ LYS 65 HZ3 LYS 65 -1.809 -10.575 -10.575 501 2HZ LYS 65 HZ2 LYS 65 -2.828 -9.978 -9.978 502 3HZ LYS 65 HZ1 LYS 65 -3.491 -10.750 -10.750 503 H ILE 66 HN ILE 66 -4.680 -4.018 -4.018 504 HA ILE 66 HA ILE 66 -6.053 -3.230 -3.230 505 HB ILE 66 HB ILE 66 -5.487 -2.070 -2.070 506 1HG1 ILE 66 HG12 ILE 66 -6.486 -0.001 -0.001 507 2HG1 ILE 66 HG11 ILE 66 -6.737 -1.042 -1.042 508 1HG2 ILE 66 HG23 ILE 66 -8.438 -2.114 -2.114 509 2HG2 ILE 66 HG22 ILE 66 -7.670 -0.980 -0.980 510 3HG2 ILE 66 HG21 ILE 66 -7.640 -2.708 -2.708 511 1HD1 ILE 66 HD12 ILE 66 -4.116 -1.586 -1.586 512 2HD1 ILE 66 HD11 ILE 66 -4.283 0.167 0.167 513 3HD1 ILE 66 HD13 ILE 66 -4.595 -0.658 -0.658 514 H LEU 67 HN LEU 67 -7.473 -4.817 -4.817 515 HA LEU 67 HA LEU 67 -9.436 -5.808 -5.808 516 1HB LEU 67 HB2 LEU 67 -7.690 -7.436 -7.436 517 2HB LEU 67 HB1 LEU 67 -8.791 -7.364 -7.364 518 HG LEU 67 HG LEU 67 -10.428 -7.697 -7.697 519 1HD1 LEU 67 HD12 LEU 67 -7.982 -8.509 -8.509 520 2HD1 LEU 67 HD11 LEU 67 -8.540 -9.993 -9.993 521 3HD1 LEU 67 HD13 LEU 67 -9.475 -9.277 -9.277 522 1HD2 LEU 67 HD22 LEU 67 -9.474 -9.680 -9.680 523 2HD2 LEU 67 HD21 LEU 67 -10.854 -8.592 -8.592 524 3HD2 LEU 67 HD23 LEU 67 -10.890 -9.897 -9.897 525 H VAL 68 HN VAL 68 -8.969 -4.450 -4.450 526 HA VAL 68 HA VAL 68 -11.913 -4.632 -4.632 527 HB VAL 68 HB VAL 68 -9.587 -4.223 -4.223 528 1HG1 VAL 68 HG12 VAL 68 -12.409 -3.423 -3.423 529 2HG1 VAL 68 HG11 VAL 68 -11.843 -4.433 -4.433 530 3HG1 VAL 68 HG13 VAL 68 -11.018 -2.920 -2.920 531 1HG2 VAL 68 HG22 VAL 68 -11.370 -6.433 -6.433 532 2HG2 VAL 68 HG21 VAL 68 -9.789 -6.486 -6.486 533 3HG2 VAL 68 HG23 VAL 68 -11.240 -6.203 -6.203 534 HA PRO 69 HA PRO 69 -11.396 -0.288 -0.288 535 1HB PRO 69 HB2 PRO 69 -13.989 -0.021 -0.021 536 2HB PRO 69 HB1 PRO 69 -12.671 -0.648 -0.648 537 1HG PRO 69 HG2 PRO 69 -14.898 -2.134 -2.134 538 2HG PRO 69 HG1 PRO 69 -13.993 -2.540 -2.540 539 1HD PRO 69 HD2 PRO 69 -13.594 -3.694 -3.694 540 2HD PRO 69 HD1 PRO 69 -12.470 -3.796 -3.796 541 H GLU 70 HN GLU 70 -12.462 1.667 1.667 542 HA GLU 70 HA GLU 70 -12.944 1.722 1.722 543 1HB GLU 70 HB2 GLU 70 -14.134 3.839 3.839 544 2HB GLU 70 HB1 GLU 70 -12.720 3.742 3.742 545 1HG GLU 70 HG2 GLU 70 -14.038 4.022 4.022 546 2HG GLU 70 HG1 GLU 70 -14.891 2.533 2.533 547 H GLY 71 HN GLY 71 -14.583 1.082 1.082 548 1HA GLY 71 HA2 GLY 71 -17.165 1.068 1.068 549 2HA GLY 71 HA1 GLY 71 -17.063 0.048 0.048 550 H THR 72 HN THR 72 -14.608 -1.305 -1.305 551 HA THR 72 HA THR 72 -15.883 -3.452 -3.452 552 HB THR 72 HB THR 72 -12.982 -2.831 -2.831 553 HG1 THR 72 HG1 THR 72 -14.406 -3.462 -3.462 554 1HG2 THR 72 HG21 THR 72 -14.228 -5.177 -5.177 555 2HG2 THR 72 HG23 THR 72 -12.638 -5.260 -5.260 556 3HG2 THR 72 HG22 THR 72 -12.926 -4.130 -4.130 557 H ARG 73 HN ARG 73 -16.026 -3.798 -3.798 558 HA ARG 73 HA ARG 73 -14.648 -1.832 -1.832 559 1HB ARG 73 HB2 ARG 73 -17.074 -1.603 -1.603 560 2HB ARG 73 HB1 ARG 73 -17.254 -3.337 -3.337 561 1HG ARG 73 HG2 ARG 73 -15.411 -2.404 -2.404 562 2HG ARG 73 HG1 ARG 73 -16.759 -1.265 -1.265 563 1HD ARG 73 HD2 ARG 73 -18.354 -3.079 -3.079 564 2HD ARG 73 HD1 ARG 73 -17.066 -4.276 -4.276 565 HE ARG 73 HE ARG 73 -16.184 -2.813 -2.813 566 1HH1 ARG 73 HH11 ARG 73 -18.853 -4.798 -4.798 567 2HH1 ARG 73 HH12 ARG 73 -19.573 -4.645 -4.645 568 1HH2 ARG 73 HH21 ARG 73 -17.298 -2.272 -2.272 569 2HH2 ARG 73 HH22 ARG 73 -18.693 -3.214 -3.214 570 H ASP 74 HN ASP 74 -12.869 -2.834 -2.834 571 HA ASP 74 HA ASP 74 -13.201 -5.596 -5.596 572 1HB ASP 74 HB2 ASP 74 -10.875 -4.312 -4.312 573 2HB ASP 74 HB1 ASP 74 -10.659 -5.729 -5.729 574 H VAL 75 HN VAL 75 -11.629 -2.445 -2.445 575 HA VAL 75 HA VAL 75 -11.957 -2.119 -2.119 576 HB VAL 75 HB VAL 75 -9.360 -2.660 -2.660 577 1HG1 VAL 75 HG13 VAL 75 -11.908 -3.696 -3.696 578 2HG1 VAL 75 HG12 VAL 75 -10.863 -5.088 -5.088 579 3HG1 VAL 75 HG11 VAL 75 -10.413 -3.874 -3.874 580 1HG2 VAL 75 HG23 VAL 75 -9.608 -3.852 -3.852 581 2HG2 VAL 75 HG22 VAL 75 -8.445 -4.342 -4.342 582 3HG2 VAL 75 HG21 VAL 75 -9.982 -5.193 -5.193 583 HA PRO 76 HA PRO 76 -9.891 1.605 1.605 584 1HB PRO 76 HB2 PRO 76 -8.918 2.395 2.395 585 2HB PRO 76 HB1 PRO 76 -10.633 2.449 2.449 586 1HG PRO 76 HG2 PRO 76 -9.219 0.558 0.558 587 2HG PRO 76 HG1 PRO 76 -10.927 1.028 1.028 588 1HD PRO 76 HD2 PRO 76 -9.829 -1.382 -1.382 589 2HD PRO 76 HD1 PRO 76 -11.486 -0.793 -0.793 590 H LEU 77 HN LEU 77 -8.090 -1.077 -1.077 591 HA LEU 77 HA LEU 77 -5.590 0.337 0.337 592 1HB LEU 77 HB2 LEU 77 -5.350 0.270 0.270 593 2HB LEU 77 HB1 LEU 77 -5.908 -1.401 -1.401 594 HG LEU 77 HG LEU 77 -3.711 -1.349 -1.349 595 1HD1 LEU 77 HD12 LEU 77 -3.269 0.216 0.216 596 2HD1 LEU 77 HD11 LEU 77 -1.953 -0.541 -0.541 597 3HD1 LEU 77 HD13 LEU 77 -2.921 0.725 0.725 598 1HD2 LEU 77 HD22 LEU 77 -4.654 -2.763 -2.763 599 2HD2 LEU 77 HD21 LEU 77 -3.384 -3.251 -3.251 600 3HD2 LEU 77 HD23 LEU 77 -2.977 -2.320 -2.320 601 H GLY 78 HN GLY 78 -5.656 -2.918 -2.918 602 1HA GLY 78 HA2 GLY 78 -4.299 -4.214 -4.214 603 2HA GLY 78 HA1 GLY 78 -5.594 -5.005 -5.005 604 H THR 79 HN THR 79 -7.701 -3.273 -3.273 605 HA THR 79 HA THR 79 -8.917 -4.593 -4.593 606 HB THR 79 HB THR 79 -9.869 -2.536 -2.536 607 HG1 THR 79 HG1 THR 79 -10.006 -1.437 -1.437 608 1HG2 THR 79 HG22 THR 79 -7.324 -1.401 -1.401 609 2HG2 THR 79 HG21 THR 79 -8.761 -0.382 -0.382 610 3HG2 THR 79 HG23 THR 79 -8.197 -1.010 -1.010 611 HA PRO 80 HA PRO 80 -5.539 -4.406 -4.406 612 1HB PRO 80 HB2 PRO 80 -5.865 -7.021 -7.021 613 2HB PRO 80 HB1 PRO 80 -4.838 -6.527 -6.527 614 1HG PRO 80 HG2 PRO 80 -7.476 -7.879 -7.879 615 2HG PRO 80 HG1 PRO 80 -6.199 -7.866 -7.866 616 1HD PRO 80 HD2 PRO 80 -8.602 -6.331 -6.331 617 2HD PRO 80 HD1 PRO 80 -7.221 -6.165 -6.165 618 H LEU 81 HN LEU 81 -6.092 -3.621 -3.621 619 HA LEU 81 HA LEU 81 -8.489 -4.746 -4.746 620 1HB LEU 81 HB2 LEU 81 -9.252 -2.563 -2.563 621 2HB LEU 81 HB1 LEU 81 -9.033 -2.548 -2.548 622 HG LEU 81 HG LEU 81 -6.772 -1.651 -1.651 623 1HD1 LEU 81 HD11 LEU 81 -9.358 -0.498 -0.498 624 2HD1 LEU 81 HD13 LEU 81 -8.345 0.584 0.584 625 3HD1 LEU 81 HD12 LEU 81 -7.865 0.145 0.145 626 1HD2 LEU 81 HD22 LEU 81 -7.002 -1.920 -1.920 627 2HD2 LEU 81 HD21 LEU 81 -5.984 -0.692 -0.692 628 3HD2 LEU 81 HD23 LEU 81 -7.601 -0.271 -0.271 629 H CYS 82 HN CYS 82 -5.430 -2.869 -2.869 630 HA CYS 82 HA CYS 82 -5.156 -4.374 -4.374 631 1HB CYS 82 HB2 CYS 82 -5.264 -1.356 -1.356 632 2HB CYS 82 HB1 CYS 82 -5.034 -2.375 -2.375 633 HG CYS 82 HG CYS 82 -7.494 -3.000 -3.000 634 H ILE 83 HN ILE 83 -3.027 -4.277 -4.277 635 HA ILE 83 HA ILE 83 -0.974 -3.119 -3.119 636 HB ILE 83 HB ILE 83 -0.996 -5.649 -5.649 637 1HG1 ILE 83 HG12 ILE 83 1.639 -5.229 -5.229 638 2HG1 ILE 83 HG11 ILE 83 1.203 -3.723 -3.723 639 1HG2 ILE 83 HG21 ILE 83 -1.291 -4.937 -4.937 640 2HG2 ILE 83 HG23 ILE 83 0.466 -5.060 -5.060 641 3HG2 ILE 83 HG22 ILE 83 -0.530 -6.451 -6.451 642 1HD1 ILE 83 HD13 ILE 83 0.158 -5.919 -5.919 643 2HD1 ILE 83 HD12 ILE 83 1.867 -6.214 -6.214 644 3HD1 ILE 83 HD11 ILE 83 1.364 -4.726 -4.726 645 H ILE 84 HN ILE 84 -0.234 -1.265 -1.265 646 HA ILE 84 HA ILE 84 -0.298 -0.578 -0.578 647 HB ILE 84 HB ILE 84 0.654 1.055 1.055 648 1HG1 ILE 84 HG12 ILE 84 -1.742 2.119 2.119 649 2HG1 ILE 84 HG11 ILE 84 -2.029 0.396 0.396 650 1HG2 ILE 84 HG22 ILE 84 0.315 1.542 1.542 651 2HG2 ILE 84 HG21 ILE 84 -0.169 2.842 2.842 652 3HG2 ILE 84 HG23 ILE 84 1.486 2.231 2.231 653 1HD1 ILE 84 HD11 ILE 84 -0.850 1.484 1.484 654 2HD1 ILE 84 HD13 ILE 84 -2.588 1.299 1.299 655 3HD1 ILE 84 HD12 ILE 84 -1.536 -0.116 -0.116 656 H VAL 85 HN VAL 85 1.693 0.405 0.405 657 HA VAL 85 HA VAL 85 4.289 -0.087 -0.087 658 HB VAL 85 HB VAL 85 3.926 -2.399 -2.399 659 1HG1 VAL 85 HG12 VAL 85 2.104 -1.453 -1.453 660 2HG1 VAL 85 HG11 VAL 85 3.318 -2.331 -2.331 661 3HG1 VAL 85 HG13 VAL 85 2.451 -3.141 -3.141 662 1HG2 VAL 85 HG21 VAL 85 6.056 -1.323 -1.323 663 2HG2 VAL 85 HG23 VAL 85 5.622 -2.905 -2.905 664 3HG2 VAL 85 HG22 VAL 85 5.282 -1.445 -1.445 665 H GLU 86 HN GLU 86 2.331 0.482 0.482 666 HA GLU 86 HA GLU 86 2.635 2.167 2.167 667 1HB GLU 86 HB2 GLU 86 4.010 3.369 3.369 668 2HB GLU 86 HB1 GLU 86 5.427 2.607 2.607 669 1HG GLU 86 HG2 GLU 86 4.441 3.548 3.548 670 2HG GLU 86 HG1 GLU 86 3.576 4.656 4.656 671 H LYS 87 HN LYS 87 3.399 -0.706 -0.706 672 HA LYS 87 HA LYS 87 5.754 -1.339 -1.339 673 1HB LYS 87 HB2 LYS 87 3.495 -2.712 -2.712 674 2HB LYS 87 HB1 LYS 87 3.261 -2.356 -2.356 675 1HG LYS 87 HG2 LYS 87 5.310 -3.430 -3.430 676 2HG LYS 87 HG1 LYS 87 5.832 -3.525 -3.525 677 1HD LYS 87 HD2 LYS 87 3.795 -4.983 -4.983 678 2HD LYS 87 HD1 LYS 87 3.574 -5.050 -5.050 679 1HE LYS 87 HE2 LYS 87 6.090 -5.769 -5.769 680 2HE LYS 87 HE1 LYS 87 5.816 -6.169 -6.169 681 1HZ LYS 87 HZ2 LYS 87 3.651 -7.202 -7.202 682 2HZ LYS 87 HZ1 LYS 87 4.946 -7.540 -7.540 683 3HZ LYS 87 HZ3 LYS 87 4.994 -8.079 -8.079 684 H GLU 88 HN GLU 88 6.429 -1.354 -1.354 685 HA GLU 88 HA GLU 88 5.336 0.952 0.952 686 1HB GLU 88 HB2 GLU 88 7.870 0.489 0.489 687 2HB GLU 88 HB1 GLU 88 7.739 -0.648 -0.648 688 1HG GLU 88 HG2 GLU 88 8.249 1.213 1.213 689 2HG GLU 88 HG1 GLU 88 6.510 1.486 1.486 690 H ALA 89 HN ALA 89 5.085 -2.426 -2.426 691 HA ALA 89 HA ALA 89 3.853 -3.855 -3.855 692 1HB ALA 89 HB1 ALA 89 2.819 -1.421 -1.421 693 2HB ALA 89 HB3 ALA 89 3.555 -1.849 -1.849 694 3HB ALA 89 HB2 ALA 89 2.347 -2.910 -2.910 695 H ASP 90 HN ASP 90 4.632 -5.310 -5.310 696 HA ASP 90 HA ASP 90 6.253 -4.639 -4.639 697 1HB ASP 90 HB2 ASP 90 8.450 -5.448 -5.448 698 2HB ASP 90 HB1 ASP 90 7.923 -4.021 -4.021 699 H ILE 91 HN ILE 91 5.229 -6.254 -6.254 700 HA ILE 91 HA ILE 91 5.457 -9.029 -9.029 701 HB ILE 91 HB ILE 91 3.123 -8.379 -8.379 702 1HG1 ILE 91 HG12 ILE 91 3.513 -9.982 -9.982 703 2HG1 ILE 91 HG11 ILE 91 4.095 -10.652 -10.652 704 1HG2 ILE 91 HG21 ILE 91 3.511 -6.535 -6.535 705 2HG2 ILE 91 HG23 ILE 91 3.728 -7.746 -7.746 706 3HG2 ILE 91 HG22 ILE 91 2.168 -7.582 -7.582 707 1HD1 ILE 91 HD11 ILE 91 1.593 -9.706 -9.706 708 2HD1 ILE 91 HD13 ILE 91 1.340 -10.304 -10.304 709 3HD1 ILE 91 HD12 ILE 91 1.970 -11.383 -11.383 710 H SER 92 HN SER 92 5.942 -10.705 -10.705 711 HA SER 92 HA SER 92 6.367 -10.467 -10.467 712 1HB SER 92 HB2 SER 92 8.486 -9.116 -9.116 713 2HB SER 92 HB1 SER 92 9.033 -10.131 -10.131 714 HG SER 92 HG SER 92 8.197 -8.764 -8.764 715 H ALA 93 HN ALA 93 6.107 -12.678 -12.678 716 HA ALA 93 HA ALA 93 7.097 -14.621 -14.621 717 1HB ALA 93 HB2 ALA 93 6.243 -14.597 -14.597 718 2HB ALA 93 HB1 ALA 93 7.232 -15.971 -15.971 719 3HB ALA 93 HB3 ALA 93 5.714 -15.633 -15.633 720 H PHE 94 HN PHE 94 8.588 -14.128 -14.128 721 HA PHE 94 HA PHE 94 10.833 -14.315 -14.315 722 1HB PHE 94 HB2 PHE 94 10.726 -12.628 -12.628 723 2HB PHE 94 HB1 PHE 94 12.211 -13.580 -13.580 724 HD1 PHE 94 HD2 PHE 94 10.215 -11.164 -11.164 725 HD2 PHE 94 HD1 PHE 94 13.951 -13.257 -13.257 726 HE1 PHE 94 HE2 PHE 94 11.196 -9.698 -9.698 727 HE2 PHE 94 HE1 PHE 94 14.931 -11.792 -11.792 728 HZ PHE 94 HZ PHE 94 13.554 -10.013 -10.013 729 H ALA 95 HN ALA 95 10.426 -16.715 -16.715 730 HA ALA 95 HA ALA 95 11.434 -18.132 -18.132 731 1HB ALA 95 HB1 ALA 95 10.608 -19.110 -19.110 732 2HB ALA 95 HB3 ALA 95 11.053 -20.164 -20.164 733 3HB ALA 95 HB2 ALA 95 9.623 -19.138 -19.138 734 H ASP 96 HN ASP 96 12.772 -16.797 -16.797 735 HA ASP 96 HA ASP 96 15.184 -18.535 -18.535 736 1HB ASP 96 HB2 ASP 96 14.427 -16.528 -16.528 737 2HB ASP 96 HB1 ASP 96 15.812 -17.620 -17.620 738 H TYR 97 HN TYR 97 17.312 -17.411 -17.411 739 HA TYR 97 HA TYR 97 17.296 -14.569 -14.569 740 1HB TYR 97 HB2 TYR 97 18.548 -16.733 -16.733 741 2HB TYR 97 HB1 TYR 97 18.619 -14.997 -14.997 742 HD1 TYR 97 HD1 TYR 97 16.315 -13.754 -13.754 743 HD2 TYR 97 HD2 TYR 97 16.804 -17.994 -17.994 744 HE1 TYR 97 HE1 TYR 97 14.140 -13.870 -13.870 745 HE2 TYR 97 HE2 TYR 97 14.629 -18.110 -18.110 746 HH TYR 97 HH TYR 97 13.212 -16.180 -16.180 747 H ARG 98 HN ARG 98 18.375 -14.422 -14.422 748 HA ARG 98 HA ARG 98 20.611 -15.779 -15.779 749 1HB ARG 98 HB2 ARG 98 19.363 -13.323 -13.323 750 2HB ARG 98 HB1 ARG 98 21.068 -12.945 -12.945 751 1HG ARG 98 HG2 ARG 98 20.639 -15.400 -15.400 752 2HG ARG 98 HG1 ARG 98 20.003 -13.953 -13.953 753 1HD ARG 98 HD2 ARG 98 22.167 -12.838 -12.838 754 2HD ARG 98 HD1 ARG 98 22.815 -14.226 -14.226 755 HE ARG 98 HE ARG 98 23.325 -15.047 -15.047 756 1HH1 ARG 98 HH11 ARG 98 21.240 -12.541 -12.541 757 2HH1 ARG 98 HH12 ARG 98 20.455 -13.275 -13.275 758 1HH2 ARG 98 HH21 ARG 98 21.914 -16.381 -16.381 759 2HH2 ARG 98 HH22 ARG 98 20.837 -15.449 -15.449 760 HA PRO 99 HA PRO 99 23.494 -13.104 -13.104 761 1HB PRO 99 HB2 PRO 99 22.321 -11.389 -11.389 762 2HB PRO 99 HB1 PRO 99 22.735 -10.931 -10.931 763 1HG PRO 99 HG2 PRO 99 20.057 -11.511 -11.511 764 2HG PRO 99 HG1 PRO 99 20.477 -10.494 -10.494 765 1HD PRO 99 HD2 PRO 99 19.417 -13.117 -13.117 766 2HD PRO 99 HD1 PRO 99 20.132 -12.214 -12.214 767 H THR 100 HN THR 100 23.673 -12.705 -12.705 768 HA THR 100 HA THR 100 22.410 -15.138 -15.138 769 HB THR 100 HB THR 100 24.776 -14.656 -14.656 770 HG1 THR 100 HG1 THR 100 25.262 -14.577 -14.577 771 1HG2 THR 100 HG23 THR 100 23.761 -16.649 -16.649 772 2HG2 THR 100 HG22 THR 100 25.483 -16.696 -16.696 773 3HG2 THR 100 HG21 THR 100 24.292 -16.882 -16.882 774 H GLU 101 HN GLU 101 24.459 -12.584 -12.584 775 HA GLU 101 HA GLU 101 22.122 -11.794 -11.794 776 1HB GLU 101 HB2 GLU 101 24.457 -13.060 -13.060 777 2HB GLU 101 HB1 GLU 101 24.702 -11.359 -11.359 778 1HG GLU 101 HG2 GLU 101 22.048 -11.818 -11.818 779 2HG GLU 101 HG1 GLU 101 22.873 -13.295 -13.295 780 H VAL 102 HN VAL 102 23.055 -9.614 -9.614 781 HA VAL 102 HA VAL 102 23.466 -7.722 -7.722 782 HB VAL 102 HB VAL 102 23.275 -6.963 -6.963 783 1HG1 VAL 102 HG13 VAL 102 23.751 -5.275 -5.275 784 2HG1 VAL 102 HG12 VAL 102 22.178 -5.665 -5.665 785 3HG1 VAL 102 HG11 VAL 102 22.278 -4.953 -4.953 786 1HG2 VAL 102 HG23 VAL 102 21.203 -8.202 -8.202 787 2HG2 VAL 102 HG22 VAL 102 21.355 -8.230 -8.230 788 3HG2 VAL 102 HG21 VAL 102 20.701 -6.804 -6.804 789 H THR 103 HN THR 103 25.559 -9.602 -9.602 790 HA THR 103 HA THR 103 27.540 -7.539 -7.539 791 HB THR 103 HB THR 103 27.973 -10.530 -10.530 792 HG1 THR 103 HG1 THR 103 27.316 -10.402 -10.402 793 1HG2 THR 103 HG22 THR 103 29.295 -8.142 -8.142 794 2HG2 THR 103 HG21 THR 103 29.384 -9.690 -9.690 795 3HG2 THR 103 HG23 THR 103 30.023 -9.538 -9.538 796 H ASP 104 HN ASP 104 28.151 -6.596 -6.596 797 HA ASP 104 HA ASP 104 28.709 -8.100 -8.100 798 1HB ASP 104 HB2 ASP 104 29.215 -5.312 -5.312 799 2HB ASP 104 HB1 ASP 104 30.151 -5.891 -5.891 800 H LEU 105 HN LEU 105 30.185 -9.767 -9.767 801 HA LEU 105 HA LEU 105 32.543 -9.576 -9.576 802 1HB LEU 105 HB2 LEU 105 31.445 -11.704 -11.704 803 2HB LEU 105 HB1 LEU 105 32.200 -11.358 -11.358 804 HG LEU 105 HG LEU 105 34.419 -11.374 -11.374 805 1HD1 LEU 105 HD12 LEU 105 32.757 -11.673 -11.673 806 2HD1 LEU 105 HD11 LEU 105 34.391 -12.336 -12.336 807 3HD1 LEU 105 HD13 LEU 105 34.133 -10.609 -10.609 808 1HD2 LEU 105 HD23 LEU 105 32.618 -13.629 -13.629 809 2HD2 LEU 105 HD22 LEU 105 34.348 -13.574 -13.574 810 3HD2 LEU 105 HD21 LEU 105 33.777 -13.875 -13.875 811 H LYS 106 HN LYS 106 34.283 -8.304 -8.304 812 HA LYS 106 HA LYS 106 34.733 -6.735 -6.735 813 1HB LYS 106 HB2 LYS 106 36.269 -7.561 -7.561 814 2HB LYS 106 HB1 LYS 106 37.302 -7.436 -7.436 815 1HG LYS 106 HG2 LYS 106 37.201 -5.187 -5.187 816 2HG LYS 106 HG1 LYS 106 35.438 -5.220 -5.220 817 1HD LYS 106 HD2 LYS 106 35.655 -4.411 -4.411 818 2HD LYS 106 HD1 LYS 106 36.138 -6.050 -6.050 819 1HE LYS 106 HE2 LYS 106 38.108 -3.987 -3.987 820 2HE LYS 106 HE1 LYS 106 37.748 -4.200 -4.200 821 1HZ LYS 106 HZ1 LYS 106 38.241 -6.664 -6.664 822 2HZ LYS 106 HZ3 LYS 106 39.039 -6.075 -6.075 823 3HZ LYS 106 HZ2 LYS 106 39.543 -5.585 -5.585
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