NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6944 | 1jrm | 5104 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H VAL 1 HN VAL 1 1.884 0.000 0.829 2 HA VAL 1 HA VAL 1 2.939 0.649 -1.109 3 HB VAL 1 HB VAL 1 3.431 -1.321 -2.228 4 1HG1 VAL 1 1HG1 VAL 1 2.327 -1.977 0.512 5 2HG1 VAL 1 2HG1 VAL 1 3.209 -3.168 -0.474 6 3HG1 VAL 1 3HG1 VAL 1 4.014 -1.665 0.039 7 1HG2 VAL 1 1HG2 VAL 1 0.542 -1.742 -2.158 8 2HG2 VAL 1 2HG2 VAL 1 1.759 -2.347 -3.307 9 3HG2 VAL 1 3HG2 VAL 1 1.451 -3.228 -1.792 10 H ILE 2 HN ILE 2 2.505 -0.107 -3.798 11 HA ILE 2 HA ILE 2 0.177 1.572 -4.387 12 HB ILE 2 HB ILE 2 2.833 1.146 -5.676 13 1HG1 ILE 2 2HG1 ILE 2 1.117 3.535 -4.969 14 2HG1 ILE 2 3HG1 ILE 2 2.635 3.048 -4.241 15 1HG2 ILE 2 1HG2 ILE 2 1.708 0.710 -7.617 16 2HG2 ILE 2 2HG2 ILE 2 0.256 1.609 -7.116 17 3HG2 ILE 2 3HG2 ILE 2 1.707 2.489 -7.654 18 1HD1 ILE 2 1HD1 ILE 2 3.509 4.595 -5.698 19 2HD1 ILE 2 2HD1 ILE 2 3.427 3.241 -6.851 20 3HD1 ILE 2 3HD1 ILE 2 2.133 4.463 -6.820 21 H THR 3 HN THR 3 -1.629 0.518 -4.989 22 HA THR 3 HA THR 3 -1.572 -1.435 -7.031 23 HB THR 3 HB THR 3 -2.651 -3.155 -5.210 24 HG1 THR 3 HG1 THR 3 -2.200 -1.886 -3.364 25 1HG2 THR 3 1HG2 THR 3 -0.203 -3.015 -6.628 26 2HG2 THR 3 2HG2 THR 3 0.274 -3.255 -4.930 27 3HG2 THR 3 3HG2 THR 3 -0.813 -4.421 -5.723 28 H MET 4 HN MET 4 -2.816 1.160 -6.138 29 HA MET 4 HA MET 4 -5.579 0.220 -6.238 30 1HB MET 4 2HB MET 4 -4.482 2.880 -5.167 31 2HB MET 4 3HB MET 4 -6.158 2.374 -5.101 32 1HG MET 4 2HG MET 4 -3.968 0.686 -3.830 33 2HG MET 4 3HG MET 4 -4.679 2.035 -2.967 34 1HE MET 4 1HE MET 4 -5.933 -1.904 -2.422 35 2HE MET 4 2HE MET 4 -5.569 -1.832 -4.163 36 3HE MET 4 3HE MET 4 -4.408 -1.177 -2.983 37 H ASP 5 HN ASP 5 -7.113 1.788 -7.387 38 HA ASP 5 HA ASP 5 -5.763 2.664 -9.786 39 1HB ASP 5 2HB ASP 5 -8.636 3.037 -9.863 40 2HB ASP 5 3HB ASP 5 -7.649 1.959 -10.830 41 H CYS 6 HN CYS 6 -7.064 4.742 -10.803 42 HA CYS 6 HA CYS 6 -8.328 6.573 -9.257 43 1HB CYS 6 2HB CYS 6 -6.781 8.025 -8.280 44 2HB CYS 6 3HB CYS 6 -6.160 6.437 -7.872 45 HG CYS 6 HG CYS 6 -4.142 6.400 -9.197 46 H LEU 7 HN LEU 7 -5.965 5.709 -11.750 47 HA LEU 7 HA LEU 7 -6.410 8.146 -13.234 48 1HB LEU 7 2HB LEU 7 -5.031 6.529 -14.905 49 2HB LEU 7 3HB LEU 7 -4.316 7.618 -13.734 50 HG LEU 7 HG LEU 7 -4.961 4.774 -12.978 51 1HD1 LEU 7 1HD1 LEU 7 -3.091 3.883 -13.932 52 2HD1 LEU 7 2HD1 LEU 7 -3.486 5.113 -15.155 53 3HD1 LEU 7 3HD1 LEU 7 -2.216 5.433 -13.950 54 1HD2 LEU 7 1HD2 LEU 7 -3.639 7.046 -11.743 55 2HD2 LEU 7 2HD2 LEU 7 -4.196 5.515 -11.026 56 3HD2 LEU 7 3HD2 LEU 7 -2.587 5.611 -11.781 57 H ARG 8 HN ARG 8 -7.856 8.435 -14.876 58 HA ARG 8 HA ARG 8 -9.432 6.078 -15.520 59 1HB ARG 8 2HB ARG 8 -10.349 8.434 -14.502 60 2HB ARG 8 3HB ARG 8 -10.418 8.840 -16.206 61 1HG ARG 8 2HG ARG 8 -11.728 6.687 -16.593 62 2HG ARG 8 3HG ARG 8 -11.769 6.456 -14.856 63 1HD ARG 8 2HD ARG 8 -12.745 9.057 -16.096 64 2HD ARG 8 3HD ARG 8 -13.798 7.660 -16.006 65 HE ARG 8 HE ARG 8 -13.896 7.880 -13.651 66 1HH1 ARG 8 2HH2 ARG 8 -11.496 10.073 -14.997 67 2HH1 ARG 8 1HH2 ARG 8 -11.306 10.971 -13.528 68 1HH2 ARG 8 2HH1 ARG 8 -13.646 9.064 -11.713 69 2HH2 ARG 8 1HH1 ARG 8 -12.538 10.393 -11.648 70 H GLU 9 HN GLU 9 -9.281 5.294 -17.607 71 HA GLU 9 HA GLU 9 -7.683 6.781 -19.447 72 1HB GLU 9 2HB GLU 9 -8.164 4.065 -18.969 73 2HB GLU 9 3HB GLU 9 -8.993 4.352 -20.486 74 1HG GLU 9 2HG GLU 9 -6.654 5.711 -20.958 75 2HG GLU 9 3HG GLU 9 -6.069 4.471 -19.866 76 H VAL 10 HN VAL 10 -8.643 8.468 -20.518 77 HA VAL 10 HA VAL 10 -11.243 7.896 -21.755 78 HB VAL 10 HB VAL 10 -10.399 10.550 -20.584 79 1HG1 VAL 10 1HG1 VAL 10 -12.980 10.853 -20.745 80 2HG1 VAL 10 2HG1 VAL 10 -11.994 11.010 -22.219 81 3HG1 VAL 10 3HG1 VAL 10 -12.897 9.508 -21.908 82 1HG2 VAL 10 1HG2 VAL 10 -12.104 10.046 -18.802 83 2HG2 VAL 10 2HG2 VAL 10 -12.129 8.366 -19.387 84 3HG2 VAL 10 3HG2 VAL 10 -10.628 9.054 -18.724 85 H GLY 11 HN GLY 11 -10.705 7.606 -23.873 86 1HA GLY 11 1HA GLY 11 -9.845 8.012 -25.909 87 2HA GLY 11 2HA GLY 11 -9.961 9.711 -25.499 88 H ASP 12 HN ASP 12 -8.006 10.302 -26.564 89 HA ASP 12 HA ASP 12 -5.621 8.916 -26.051 90 1HB ASP 12 2HB ASP 12 -6.543 11.086 -27.711 91 2HB ASP 12 3HB ASP 12 -5.125 11.652 -26.851 92 H ASP 13 HN ASP 13 -7.453 10.461 -23.880 93 HA ASP 13 HA ASP 13 -5.178 11.777 -22.614 94 1HB ASP 13 2HB ASP 13 -8.157 12.402 -22.348 95 2HB ASP 13 3HB ASP 13 -6.897 13.180 -21.411 96 H LEU 14 HN LEU 14 -5.444 11.758 -20.091 97 HA LEU 14 HA LEU 14 -7.033 9.490 -19.175 98 1HB LEU 14 2HB LEU 14 -5.226 8.203 -19.174 99 2HB LEU 14 3HB LEU 14 -4.137 9.553 -19.425 100 HG LEU 14 HG LEU 14 -3.508 8.530 -17.385 101 1HD1 LEU 14 1HD1 LEU 14 -5.052 10.718 -16.125 102 2HD1 LEU 14 2HD1 LEU 14 -3.302 10.392 -16.133 103 3HD1 LEU 14 3HD1 LEU 14 -4.069 11.172 -17.538 104 1HD2 LEU 14 1HD2 LEU 14 -6.453 8.510 -16.761 105 2HD2 LEU 14 2HD2 LEU 14 -5.285 7.167 -16.754 106 3HD2 LEU 14 3HD2 LEU 14 -5.234 8.399 -15.469 107 H LEU 15 HN LEU 15 -7.858 9.749 -17.096 108 HA LEU 15 HA LEU 15 -7.207 12.339 -15.875 109 1HB LEU 15 2HB LEU 15 -9.753 10.834 -16.246 110 2HB LEU 15 3HB LEU 15 -9.565 11.789 -14.789 111 HG LEU 15 HG LEU 15 -8.830 13.247 -17.233 112 1HD1 LEU 15 1HD1 LEU 15 -10.799 13.282 -18.381 113 2HD1 LEU 15 2HD1 LEU 15 -10.841 11.605 -17.787 114 3HD1 LEU 15 3HD1 LEU 15 -11.777 12.869 -16.953 115 1HD2 LEU 15 1HD2 LEU 15 -10.721 13.827 -14.936 116 2HD2 LEU 15 2HD2 LEU 15 -9.021 14.338 -15.071 117 3HD2 LEU 15 3HD2 LEU 15 -10.236 14.983 -16.200 118 H VAL 16 HN VAL 16 -6.505 12.398 -13.768 119 HA VAL 16 HA VAL 16 -6.597 9.865 -12.298 120 HB VAL 16 HB VAL 16 -4.179 11.515 -11.948 121 1HG1 VAL 16 1HG1 VAL 16 -5.011 8.665 -11.848 122 2HG1 VAL 16 2HG1 VAL 16 -3.331 8.977 -12.349 123 3HG1 VAL 16 3HG1 VAL 16 -3.921 9.584 -10.783 124 1HG2 VAL 16 1HG2 VAL 16 -3.061 10.833 -13.954 125 2HG2 VAL 16 2HG2 VAL 16 -4.449 9.843 -14.464 126 3HG2 VAL 16 3HG2 VAL 16 -4.585 11.617 -14.432 127 H ASN 17 HN ASN 17 -6.838 10.086 -10.036 128 HA ASN 17 HA ASN 17 -7.736 12.734 -9.303 129 1HB ASN 17 2HB ASN 17 -8.415 9.964 -8.547 130 2HB ASN 17 3HB ASN 17 -8.164 10.963 -7.130 131 1HD2 ASN 17 1HD2 ASN 17 -10.009 10.493 -10.056 132 2HD2 ASN 17 2HD2 ASN 17 -11.347 11.525 -9.676 133 H ILE 18 HN ILE 18 -6.180 14.017 -8.296 134 HA ILE 18 HA ILE 18 -4.725 12.964 -6.076 135 HB ILE 18 HB ILE 18 -2.515 13.262 -6.898 136 1HG1 ILE 18 2HG1 ILE 18 -3.031 13.630 -9.735 137 2HG1 ILE 18 3HG1 ILE 18 -3.685 14.961 -8.801 138 1HG2 ILE 18 1HG2 ILE 18 -3.603 11.078 -7.283 139 2HG2 ILE 18 2HG2 ILE 18 -4.070 11.618 -8.914 140 3HG2 ILE 18 3HG2 ILE 18 -2.350 11.448 -8.492 141 1HD1 ILE 18 1HD1 ILE 18 -0.851 14.150 -9.215 142 2HD1 ILE 18 2HD1 ILE 18 -1.541 15.762 -8.911 143 3HD1 ILE 18 3HD1 ILE 18 -1.258 14.645 -7.555 144 H GLU 19 HN GLU 19 -2.902 14.935 -5.615 145 HA GLU 19 HA GLU 19 -4.670 17.184 -5.318 146 1HB GLU 19 2HB GLU 19 -3.575 17.449 -3.362 147 2HB GLU 19 3HB GLU 19 -2.655 16.003 -3.728 148 1HG GLU 19 2HG GLU 19 -1.041 17.473 -5.064 149 2HG GLU 19 3HG GLU 19 -1.905 18.871 -4.456 150 H VAL 20 HN VAL 20 -3.714 19.460 -5.648 151 HA VAL 20 HA VAL 20 -2.831 19.656 -8.319 152 HB VAL 20 HB VAL 20 -4.277 21.296 -7.314 153 1HG1 VAL 20 1HG1 VAL 20 -4.014 22.003 -5.218 154 2HG1 VAL 20 2HG1 VAL 20 -2.478 21.111 -5.107 155 3HG1 VAL 20 3HG1 VAL 20 -2.488 22.801 -5.666 156 1HG2 VAL 20 1HG2 VAL 20 -1.590 22.128 -8.325 157 2HG2 VAL 20 2HG2 VAL 20 -3.208 22.378 -9.024 158 3HG2 VAL 20 3HG2 VAL 20 -2.659 23.389 -7.665 159 H SER 21 HN SER 21 -0.867 18.502 -8.553 160 HA SER 21 HA SER 21 1.402 20.011 -8.124 161 1HB SER 21 2HB SER 21 2.596 18.562 -6.461 162 2HB SER 21 3HB SER 21 1.248 19.440 -5.766 163 HG SER 21 HG SER 21 0.291 17.073 -6.694 164 HA PRO 22 HA PRO 22 2.381 17.031 -11.167 165 1HB PRO 22 2HB PRO 22 4.848 17.959 -11.889 166 2HB PRO 22 3HB PRO 22 3.353 18.623 -12.516 167 1HG PRO 22 2HG PRO 22 5.183 19.764 -10.495 168 2HG PRO 22 3HG PRO 22 3.944 20.572 -11.434 169 1HD PRO 22 2HD PRO 22 3.777 19.799 -8.677 170 2HD PRO 22 3HD PRO 22 2.498 20.501 -9.648 171 H ALA 23 HN ALA 23 5.671 17.547 -10.272 172 HA ALA 23 HA ALA 23 5.945 15.642 -8.311 173 1HB ALA 23 1HB ALA 23 5.418 14.494 -10.939 174 2HB ALA 23 2HB ALA 23 7.014 13.998 -10.325 175 3HB ALA 23 3HB ALA 23 5.552 13.689 -9.358 176 H SER 24 HN SER 24 7.853 16.271 -7.447 177 HA SER 24 HA SER 24 9.620 17.819 -9.013 178 1HB SER 24 2HB SER 24 9.986 18.588 -6.918 179 2HB SER 24 3HB SER 24 9.199 17.195 -6.204 180 HG SER 24 HG SER 24 11.873 17.769 -6.353 181 H GLY 25 HN GLY 25 12.197 17.064 -8.190 182 1HA GLY 25 1HA GLY 25 13.331 15.538 -9.916 183 2HA GLY 25 2HA GLY 25 13.732 15.315 -8.224 184 H LYS 26 HN LYS 26 12.659 13.762 -11.044 185 HA LYS 26 HA LYS 26 12.061 11.676 -11.462 186 1HB LYS 26 2HB LYS 26 12.877 11.419 -8.594 187 2HB LYS 26 3HB LYS 26 12.001 10.090 -9.326 188 1HG LYS 26 2HG LYS 26 13.697 9.631 -10.878 189 2HG LYS 26 3HG LYS 26 14.288 11.281 -10.889 190 1HD LYS 26 2HD LYS 26 15.643 10.963 -9.043 191 2HD LYS 26 3HD LYS 26 14.514 9.874 -8.262 192 1HE LYS 26 2HE LYS 26 15.340 7.987 -9.365 193 2HE LYS 26 3HE LYS 26 15.823 8.891 -10.787 194 1HZ LYS 26 1HZ LYS 26 17.370 8.205 -8.588 195 2HZ LYS 26 2HZ LYS 26 17.835 8.991 -9.942 196 3HZ LYS 26 3HZ LYS 26 17.301 9.835 -8.650 197 H PHE 27 HN PHE 27 10.005 11.756 -12.224 198 HA PHE 27 HA PHE 27 7.822 12.800 -11.133 199 1HB PHE 27 2HB PHE 27 7.733 11.829 -13.343 200 2HB PHE 27 3HB PHE 27 8.365 10.293 -12.785 201 HD1 PHE 27 HD1 PHE 27 6.894 8.527 -12.615 202 HD2 PHE 27 HD2 PHE 27 5.376 12.474 -12.263 203 HE1 PHE 27 HE1 PHE 27 4.559 7.617 -12.477 204 HE2 PHE 27 HE2 PHE 27 3.041 11.564 -12.125 205 HZ PHE 27 HZ PHE 27 2.661 9.146 -12.234 206 H GLY 28 HN GLY 28 7.185 12.655 -9.013 207 1HA GLY 28 1HA GLY 28 6.991 9.944 -7.850 208 2HA GLY 28 2HA GLY 28 7.246 11.424 -6.948 209 H ILE 29 HN ILE 29 4.890 9.381 -8.621 210 HA ILE 29 HA ILE 29 2.778 10.782 -7.220 211 HB ILE 29 HB ILE 29 2.682 10.384 -10.211 212 1HG1 ILE 29 2HG1 ILE 29 3.213 12.841 -8.535 213 2HG1 ILE 29 3HG1 ILE 29 4.188 12.177 -9.831 214 1HG2 ILE 29 1HG2 ILE 29 0.595 10.463 -8.398 215 2HG2 ILE 29 2HG2 ILE 29 0.701 12.141 -8.981 216 3HG2 ILE 29 3HG2 ILE 29 0.495 10.808 -10.141 217 1HD1 ILE 29 1HD1 ILE 29 3.120 13.673 -11.175 218 2HD1 ILE 29 2HD1 ILE 29 1.729 12.566 -11.085 219 3HD1 ILE 29 3HD1 ILE 29 1.835 13.953 -9.975 220 HA PRO 30 HA PRO 30 2.225 6.393 -6.954 221 1HB PRO 30 2HB PRO 30 1.136 6.376 -4.447 222 2HB PRO 30 3HB PRO 30 2.858 6.245 -4.745 223 1HG PRO 30 2HG PRO 30 1.320 8.568 -3.756 224 2HG PRO 30 3HG PRO 30 3.044 8.271 -3.659 225 1HD PRO 30 2HD PRO 30 1.707 10.047 -5.472 226 2HD PRO 30 3HD PRO 30 3.417 9.662 -5.451 227 H SER 31 HN SER 31 0.155 5.074 -5.966 228 HA SER 31 HA SER 31 -1.867 5.972 -7.749 229 1HB SER 31 2HB SER 31 -2.860 3.871 -7.413 230 2HB SER 31 3HB SER 31 -1.160 3.526 -7.161 231 HG SER 31 HG SER 31 -1.553 3.787 -4.827 232 H TYR 32 HN TYR 32 -4.150 6.375 -7.091 233 HA TYR 32 HA TYR 32 -4.243 7.614 -4.427 234 1HB TYR 32 2HB TYR 32 -4.802 9.320 -5.957 235 2HB TYR 32 3HB TYR 32 -5.214 8.172 -7.215 236 HD1 TYR 32 HD1 TYR 32 -6.525 10.651 -5.170 237 HD2 TYR 32 HD2 TYR 32 -7.448 6.725 -6.599 238 HE1 TYR 32 HE1 TYR 32 -8.998 11.073 -4.755 239 HE2 TYR 32 HE2 TYR 32 -9.917 7.160 -6.179 240 HH TYR 32 HH TYR 32 -11.189 10.108 -5.812 241 H ASN 33 HN ASN 33 -6.316 7.492 -3.246 242 HA ASN 33 HA ASN 33 -7.820 5.121 -4.027 243 1HB ASN 33 2HB ASN 33 -6.266 5.568 -1.625 244 2HB ASN 33 3HB ASN 33 -7.956 5.535 -1.161 245 1HD2 ASN 33 1HD2 ASN 33 -6.154 3.615 -0.356 246 2HD2 ASN 33 2HD2 ASN 33 -6.540 2.083 -1.066 247 H GLU 34 HN GLU 34 -10.134 5.215 -3.398 248 HA GLU 34 HA GLU 34 -11.162 7.817 -3.554 249 1HB GLU 34 2HB GLU 34 -13.341 6.747 -3.502 250 2HB GLU 34 3HB GLU 34 -12.270 5.758 -4.474 251 1HG GLU 34 2HG GLU 34 -11.797 4.450 -2.246 252 2HG GLU 34 3HG GLU 34 -13.233 5.249 -1.636 253 H TRP 35 HN TRP 35 -10.665 5.458 -0.895 254 HA TRP 35 HA TRP 35 -12.198 6.576 1.071 255 1HB TRP 35 2HB TRP 35 -10.693 4.469 1.035 256 2HB TRP 35 3HB TRP 35 -9.432 5.537 1.618 257 HD1 TRP 35 HD1 TRP 35 -10.133 6.888 4.052 258 HE1 TRP 35 HE1 TRP 35 -11.399 6.004 6.193 259 HE3 TRP 35 HE3 TRP 35 -12.358 2.937 1.751 260 HZ2 TRP 35 HZ2 TRP 35 -13.148 3.801 6.673 261 HZ3 TRP 35 HZ3 TRP 35 -13.829 1.469 3.127 262 HH2 TRP 35 HH2 TRP 35 -14.239 1.849 5.507 263 H ARG 36 HN ARG 36 -8.780 7.381 0.128 264 HA ARG 36 HA ARG 36 -8.841 9.626 1.887 265 1HB ARG 36 2HB ARG 36 -6.822 7.997 0.948 266 2HB ARG 36 3HB ARG 36 -6.632 9.376 -0.118 267 1HG ARG 36 2HG ARG 36 -6.969 10.621 2.340 268 2HG ARG 36 3HG ARG 36 -6.120 9.160 2.804 269 1HD ARG 36 2HD ARG 36 -4.509 9.742 0.790 270 2HD ARG 36 3HD ARG 36 -5.204 11.346 0.906 271 HE ARG 36 HE ARG 36 -3.965 11.696 2.851 272 1HH1 ARG 36 2HH2 ARG 36 -4.273 8.231 2.320 273 2HH1 ARG 36 1HH2 ARG 36 -3.232 7.807 3.638 274 1HH2 ARG 36 2HH1 ARG 36 -2.592 11.137 4.590 275 2HH2 ARG 36 1HH1 ARG 36 -2.269 9.471 4.938 276 H LYS 37 HN LYS 37 -9.517 8.879 -1.470 277 HA LYS 37 HA LYS 37 -9.843 10.125 -3.287 278 1HB LYS 37 2HB LYS 37 -11.618 11.647 -3.074 279 2HB LYS 37 3HB LYS 37 -11.844 10.508 -1.762 280 1HG LYS 37 2HG LYS 37 -11.449 12.087 -0.144 281 2HG LYS 37 3HG LYS 37 -10.124 12.814 -1.032 282 1HD LYS 37 2HD LYS 37 -12.930 13.188 -2.088 283 2HD LYS 37 3HD LYS 37 -12.441 14.115 -0.683 284 1HE LYS 37 2HE LYS 37 -10.507 15.043 -1.918 285 2HE LYS 37 3HE LYS 37 -10.876 14.041 -3.307 286 1HZ LYS 37 1HZ LYS 37 -12.065 15.784 -3.941 287 2HZ LYS 37 2HZ LYS 37 -13.192 15.303 -2.862 288 3HZ LYS 37 3HZ LYS 37 -12.114 16.460 -2.455 289 H ARG 38 HN ARG 38 -7.287 10.603 -1.724 290 HA ARG 38 HA ARG 38 -6.562 12.914 -3.224 291 1HB ARG 38 2HB ARG 38 -7.028 14.256 -1.370 292 2HB ARG 38 3HB ARG 38 -6.796 12.948 -0.227 293 1HG ARG 38 2HG ARG 38 -4.969 14.558 0.030 294 2HG ARG 38 3HG ARG 38 -4.320 13.061 -0.609 295 1HD ARG 38 2HD ARG 38 -4.240 13.978 -2.878 296 2HD ARG 38 3HD ARG 38 -5.121 15.411 -2.387 297 HE ARG 38 HE ARG 38 -2.289 14.997 -2.117 298 1HH1 ARG 38 2HH2 ARG 38 -5.019 16.398 -0.395 299 2HH1 ARG 38 1HH2 ARG 38 -4.051 17.549 0.465 300 1HH2 ARG 38 2HH1 ARG 38 -1.011 16.514 -0.983 301 2HH2 ARG 38 1HH1 ARG 38 -1.755 17.615 0.128 302 H ILE 39 HN ILE 39 -4.513 12.543 -4.050 303 HA ILE 39 HA ILE 39 -2.970 10.412 -2.758 304 HB ILE 39 HB ILE 39 -3.803 10.734 -5.374 305 1HG1 ILE 39 2HG1 ILE 39 -2.792 8.760 -3.838 306 2HG1 ILE 39 3HG1 ILE 39 -3.037 8.625 -5.568 307 1HG2 ILE 39 1HG2 ILE 39 -2.112 12.505 -5.694 308 2HG2 ILE 39 2HG2 ILE 39 -0.838 11.346 -5.248 309 3HG2 ILE 39 3HG2 ILE 39 -1.814 11.075 -6.711 310 1HD1 ILE 39 1HD1 ILE 39 -0.762 7.889 -4.977 311 2HD1 ILE 39 2HD1 ILE 39 -0.681 9.372 -5.959 312 3HD1 ILE 39 3HD1 ILE 39 -0.438 9.457 -4.197 313 H GLU 40 HN GLU 40 -0.607 10.681 -2.624 314 HA GLU 40 HA GLU 40 -0.007 13.487 -2.157 315 1HB GLU 40 2HB GLU 40 1.792 11.285 -1.176 316 2HB GLU 40 3HB GLU 40 1.426 12.831 -0.437 317 1HG GLU 40 2HG GLU 40 -0.838 12.054 0.174 318 2HG GLU 40 3HG GLU 40 -0.584 10.543 -0.677 319 H VAL 41 HN VAL 41 1.113 14.483 -3.773 320 HA VAL 41 HA VAL 41 2.866 12.804 -5.413 321 HB VAL 41 HB VAL 41 1.247 15.269 -5.866 322 1HG1 VAL 41 1HG1 VAL 41 2.505 15.918 -7.815 323 2HG1 VAL 41 2HG1 VAL 41 3.611 15.887 -6.421 324 3HG1 VAL 41 3HG1 VAL 41 3.632 14.557 -7.603 325 1HG2 VAL 41 1HG2 VAL 41 1.710 12.632 -7.252 326 2HG2 VAL 41 2HG2 VAL 41 0.188 13.354 -6.675 327 3HG2 VAL 41 3HG2 VAL 41 0.990 14.008 -8.123 328 H LYS 42 HN LYS 42 4.938 13.891 -6.163 329 HA LYS 42 HA LYS 42 6.045 15.390 -3.896 330 1HB LYS 42 2HB LYS 42 7.241 13.407 -3.971 331 2HB LYS 42 3HB LYS 42 7.163 13.286 -5.717 332 1HG LYS 42 2HG LYS 42 8.663 15.352 -5.846 333 2HG LYS 42 3HG LYS 42 8.846 15.259 -4.105 334 1HD LYS 42 2HD LYS 42 10.742 14.101 -5.012 335 2HD LYS 42 3HD LYS 42 9.670 12.850 -4.416 336 1HE LYS 42 2HE LYS 42 8.698 12.757 -6.829 337 2HE LYS 42 3HE LYS 42 10.081 13.721 -7.306 338 1HZ LYS 42 1HZ LYS 42 11.443 11.996 -7.036 339 2HZ LYS 42 2HZ LYS 42 10.711 11.443 -5.685 340 3HZ LYS 42 3HZ LYS 42 10.097 11.080 -7.153 341 H ILE 43 HN ILE 43 6.950 17.392 -4.225 342 HA ILE 43 HA ILE 43 7.717 18.236 -6.835 343 HB ILE 43 HB ILE 43 5.995 20.251 -6.514 344 1HG1 ILE 43 2HG1 ILE 43 4.114 18.045 -5.849 345 2HG1 ILE 43 3HG1 ILE 43 5.070 18.676 -4.523 346 1HG2 ILE 43 1HG2 ILE 43 4.518 18.294 -7.927 347 2HG2 ILE 43 2HG2 ILE 43 5.593 19.554 -8.579 348 3HG2 ILE 43 3HG2 ILE 43 6.241 17.941 -8.197 349 1HD1 ILE 43 1HD1 ILE 43 2.922 19.906 -4.767 350 2HD1 ILE 43 2HD1 ILE 43 4.316 20.981 -5.034 351 3HD1 ILE 43 3HD1 ILE 43 3.383 20.371 -6.422 352 H HIS 44 HN HIS 44 7.905 20.935 -6.528 353 HA HIS 44 HA HIS 44 9.902 21.106 -4.526 354 1HB HIS 44 2HB HIS 44 8.678 23.204 -6.338 355 2HB HIS 44 3HB HIS 44 10.066 23.473 -5.303 356 HD1 HIS 44 HD1 HIS 44 9.468 22.977 -8.688 357 HD2 HIS 44 HD2 HIS 44 12.040 21.068 -5.980 358 HE1 HIS 44 HE1 HIS 44 11.296 21.878 -10.090 359 H SER 45 HN SER 45 9.601 23.704 -3.473 360 HA SER 45 HA SER 45 7.498 23.142 -1.582 361 1HB SER 45 2HB SER 45 10.100 24.120 -1.329 362 2HB SER 45 3HB SER 45 9.130 25.567 -1.143 363 HG SER 45 HG SER 45 9.069 23.154 0.431 364 HA PRO 46 HA PRO 46 6.492 27.324 -3.667 365 1HB PRO 46 2HB PRO 46 7.144 27.518 -6.314 366 2HB PRO 46 3HB PRO 46 8.121 28.207 -5.034 367 1HG PRO 46 2HG PRO 46 8.620 25.778 -6.643 368 2HG PRO 46 3HG PRO 46 9.751 26.709 -5.681 369 1HD PRO 46 2HD PRO 46 8.564 24.194 -4.979 370 2HD PRO 46 3HD PRO 46 9.603 25.181 -3.970 371 HA PRO 47 HA PRO 47 3.887 24.838 -6.615 372 1HB PRO 47 2HB PRO 47 4.255 22.130 -6.612 373 2HB PRO 47 3HB PRO 47 4.963 23.192 -7.813 374 1HG PRO 47 2HG PRO 47 6.268 21.852 -5.523 375 2HG PRO 47 3HG PRO 47 7.005 22.552 -6.951 376 1HD PRO 47 2HD PRO 47 6.928 23.697 -4.322 377 2HD PRO 47 3HD PRO 47 7.562 24.447 -5.773 378 H GLN 48 HN GLN 48 4.809 23.115 -3.692 379 HA GLN 48 HA GLN 48 2.182 22.283 -3.188 380 1HB GLN 48 2HB GLN 48 3.035 21.448 -1.118 381 2HB GLN 48 3HB GLN 48 4.347 21.279 -2.267 382 1HG GLN 48 2HG GLN 48 5.670 22.535 -0.925 383 2HG GLN 48 3HG GLN 48 4.602 23.904 -1.167 384 1HE2 GLN 48 1HE2 GLN 48 5.761 23.956 1.125 385 2HE2 GLN 48 2HE2 GLN 48 4.761 23.457 2.448 386 H LYS 49 HN LYS 49 3.199 25.353 -3.463 387 HA LYS 49 HA LYS 49 1.745 26.302 -1.099 388 1HB LYS 49 2HB LYS 49 4.222 26.990 -1.777 389 2HB LYS 49 3HB LYS 49 3.385 28.115 -2.828 390 1HG LYS 49 2HG LYS 49 1.996 28.810 -0.763 391 2HG LYS 49 3HG LYS 49 3.126 27.881 0.201 392 1HD LYS 49 2HD LYS 49 4.426 29.744 0.266 393 2HD LYS 49 3HD LYS 49 4.816 29.424 -1.412 394 1HE LYS 49 2HE LYS 49 2.397 31.064 -0.522 395 2HE LYS 49 3HE LYS 49 3.939 31.770 -0.963 396 1HZ LYS 49 1HZ LYS 49 3.335 30.077 -3.001 397 2HZ LYS 49 2HZ LYS 49 1.905 30.779 -2.641 398 3HZ LYS 49 3HZ LYS 49 3.195 31.704 -3.022 399 H GLY 50 HN GLY 50 1.221 25.429 -4.258 400 1HA GLY 50 1HA GLY 50 -1.177 25.955 -4.826 401 2HA GLY 50 2HA GLY 50 -0.689 27.635 -4.729 402 H LYS 51 HN LYS 51 2.005 27.301 -5.854 403 HA LYS 51 HA LYS 51 1.415 27.642 -8.538 404 1HB LYS 51 2HB LYS 51 3.410 28.599 -8.135 405 2HB LYS 51 3HB LYS 51 3.806 27.489 -6.838 406 1HG LYS 51 2HG LYS 51 5.392 27.074 -8.609 407 2HG LYS 51 3HG LYS 51 4.291 25.711 -8.594 408 1HD LYS 51 2HD LYS 51 3.844 26.103 -10.780 409 2HD LYS 51 3HD LYS 51 3.071 27.606 -10.317 410 1HE LYS 51 2HE LYS 51 4.805 28.870 -11.100 411 2HE LYS 51 3HE LYS 51 6.007 27.854 -10.330 412 1HZ LYS 51 1HZ LYS 51 4.813 26.468 -12.447 413 2HZ LYS 51 2HZ LYS 51 5.348 27.913 -12.988 414 3HZ LYS 51 3HZ LYS 51 6.381 26.884 -12.253 415 H ALA 52 HN ALA 52 1.828 24.737 -6.616 416 HA ALA 52 HA ALA 52 2.755 22.903 -8.374 417 1HB ALA 52 1HB ALA 52 1.003 21.373 -7.169 418 2HB ALA 52 2HB ALA 52 2.278 22.156 -6.205 419 3HB ALA 52 3HB ALA 52 0.633 22.836 -6.224 420 H ASN 53 HN ASN 53 -0.235 24.757 -8.545 421 HA ASN 53 HA ASN 53 -1.658 23.030 -10.182 422 1HB ASN 53 2HB ASN 53 -1.879 25.760 -9.186 423 2HB ASN 53 3HB ASN 53 -2.283 25.751 -10.892 424 1HD2 ASN 53 1HD2 ASN 53 -3.553 25.562 -7.930 425 2HD2 ASN 53 2HD2 ASN 53 -4.972 24.607 -8.201 426 H ARG 54 HN ARG 54 0.163 26.097 -10.978 427 HA ARG 54 HA ARG 54 0.063 25.562 -13.732 428 1HB ARG 54 2HB ARG 54 0.913 27.714 -11.979 429 2HB ARG 54 3HB ARG 54 2.195 27.406 -13.133 430 1HG ARG 54 2HG ARG 54 0.222 27.381 -14.910 431 2HG ARG 54 3HG ARG 54 -0.671 28.234 -13.667 432 1HD ARG 54 2HD ARG 54 1.751 29.133 -15.223 433 2HD ARG 54 3HD ARG 54 0.297 30.028 -14.825 434 HE ARG 54 HE ARG 54 1.555 29.486 -12.362 435 1HH1 ARG 54 2HH2 ARG 54 2.333 31.226 -15.320 436 2HH1 ARG 54 1HH2 ARG 54 3.370 32.365 -14.529 437 1HH2 ARG 54 2HH1 ARG 54 2.923 30.988 -11.317 438 2HH2 ARG 54 1HH1 ARG 54 3.709 32.229 -12.236 439 H GLU 55 HN GLU 55 2.306 24.845 -11.073 440 HA GLU 55 HA GLU 55 4.540 24.345 -12.693 441 1HB GLU 55 2HB GLU 55 3.897 24.352 -9.899 442 2HB GLU 55 3HB GLU 55 4.612 22.792 -10.252 443 1HG GLU 55 2HG GLU 55 6.419 24.197 -11.577 444 2HG GLU 55 3HG GLU 55 5.817 25.549 -10.638 445 H ILE 56 HN ILE 56 1.683 22.482 -11.737 446 HA ILE 56 HA ILE 56 2.570 19.911 -12.047 447 HB ILE 56 HB ILE 56 0.038 21.343 -12.096 448 1HG1 ILE 56 2HG1 ILE 56 0.886 18.600 -11.118 449 2HG1 ILE 56 3HG1 ILE 56 0.872 20.078 -10.175 450 1HG2 ILE 56 1HG2 ILE 56 0.493 19.275 -14.131 451 2HG2 ILE 56 2HG2 ILE 56 -0.907 18.964 -13.077 452 3HG2 ILE 56 3HG2 ILE 56 -0.799 20.490 -13.987 453 1HD1 ILE 56 1HD1 ILE 56 -1.248 18.262 -10.430 454 2HD1 ILE 56 2HD1 ILE 56 -1.358 19.912 -9.771 455 3HD1 ILE 56 3HD1 ILE 56 -1.718 19.614 -11.488 456 H ILE 57 HN ILE 57 1.021 21.947 -14.636 457 HA ILE 57 HA ILE 57 1.616 20.164 -16.688 458 HB ILE 57 HB ILE 57 0.941 23.085 -16.563 459 1HG1 ILE 57 2HG1 ILE 57 -0.952 21.760 -18.066 460 2HG1 ILE 57 3HG1 ILE 57 -0.499 20.541 -16.891 461 1HG2 ILE 57 1HG2 ILE 57 2.427 22.865 -18.475 462 2HG2 ILE 57 2HG2 ILE 57 1.482 21.482 -19.077 463 3HG2 ILE 57 3HG2 ILE 57 0.747 23.102 -19.014 464 1HD1 ILE 57 1HD1 ILE 57 -1.811 23.205 -16.462 465 2HD1 ILE 57 2HD1 ILE 57 -2.097 21.652 -15.641 466 3HD1 ILE 57 3HD1 ILE 57 -0.686 22.643 -15.202 467 H LYS 58 HN LYS 58 3.583 22.527 -14.964 468 HA LYS 58 HA LYS 58 5.572 22.735 -16.987 469 1HB LYS 58 2HB LYS 58 4.921 24.071 -14.617 470 2HB LYS 58 3HB LYS 58 6.466 23.319 -14.276 471 1HG LYS 58 2HG LYS 58 6.346 24.527 -16.977 472 2HG LYS 58 3HG LYS 58 6.089 25.695 -15.697 473 1HD LYS 58 2HD LYS 58 8.427 25.715 -15.870 474 2HD LYS 58 3HD LYS 58 8.191 24.567 -14.568 475 1HE LYS 58 2HE LYS 58 9.704 23.433 -15.984 476 2HE LYS 58 3HE LYS 58 8.162 22.739 -16.444 477 1HZ LYS 58 1HZ LYS 58 8.969 23.329 -18.450 478 2HZ LYS 58 2HZ LYS 58 8.206 24.731 -18.102 479 3HZ LYS 58 3HZ LYS 58 9.822 24.609 -17.900 480 H GLU 59 HN GLU 59 5.477 21.061 -13.758 481 HA GLU 59 HA GLU 59 7.812 19.603 -14.440 482 1HB GLU 59 2HB GLU 59 5.893 19.601 -12.095 483 2HB GLU 59 3HB GLU 59 7.111 18.350 -12.236 484 1HG GLU 59 2HG GLU 59 8.499 20.766 -12.762 485 2HG GLU 59 3HG GLU 59 7.423 21.152 -11.434 486 H PHE 60 HN PHE 60 4.396 18.605 -13.651 487 HA PHE 60 HA PHE 60 4.504 15.998 -14.230 488 1HB PHE 60 2HB PHE 60 2.578 18.149 -14.098 489 2HB PHE 60 3HB PHE 60 2.190 17.244 -15.547 490 HD1 PHE 60 HD1 PHE 60 0.706 17.577 -12.777 491 HD2 PHE 60 HD2 PHE 60 3.051 14.504 -14.527 492 HE1 PHE 60 HE1 PHE 60 -0.497 15.868 -11.387 493 HE2 PHE 60 HE2 PHE 60 1.849 12.794 -13.137 494 HZ PHE 60 HZ PHE 60 0.089 13.497 -11.584 495 H SER 61 HN SER 61 3.843 18.592 -16.696 496 HA SER 61 HA SER 61 3.749 16.837 -18.828 497 1HB SER 61 2HB SER 61 2.957 19.254 -18.758 498 2HB SER 61 3HB SER 61 4.631 19.755 -18.898 499 HG SER 61 HG SER 61 3.507 17.922 -20.809 500 H GLU 62 HN GLU 62 6.450 18.496 -17.171 501 HA GLU 62 HA GLU 62 8.316 17.819 -19.202 502 1HB GLU 62 2HB GLU 62 8.399 19.164 -16.518 503 2HB GLU 62 3HB GLU 62 9.901 18.482 -17.112 504 1HG GLU 62 2HG GLU 62 9.086 19.747 -19.383 505 2HG GLU 62 3HG GLU 62 8.287 20.767 -18.203 506 H THR 63 HN THR 63 7.349 16.552 -15.972 507 HA THR 63 HA THR 63 9.364 14.715 -15.580 508 HB THR 63 HB THR 63 6.994 15.489 -14.345 509 HG1 THR 63 HG1 THR 63 8.769 14.688 -13.166 510 1HG2 THR 63 1HG2 THR 63 5.691 13.777 -15.665 511 2HG2 THR 63 2HG2 THR 63 6.812 12.521 -15.087 512 3HG2 THR 63 3HG2 THR 63 5.762 13.377 -13.932 513 H PHE 64 HN PHE 64 6.261 14.244 -17.388 514 HA PHE 64 HA PHE 64 7.412 11.761 -18.416 515 1HB PHE 64 2HB PHE 64 5.095 11.924 -17.274 516 2HB PHE 64 3HB PHE 64 4.585 12.963 -18.589 517 HD1 PHE 64 HD1 PHE 64 5.155 11.867 -21.015 518 HD2 PHE 64 HD2 PHE 64 4.446 9.725 -17.420 519 HE1 PHE 64 HE1 PHE 64 4.485 9.849 -22.349 520 HE2 PHE 64 HE2 PHE 64 3.776 7.708 -18.754 521 HZ PHE 64 HZ PHE 64 3.804 7.793 -21.203 522 H GLY 65 HN GLY 65 5.896 14.887 -19.397 523 1HA GLY 65 1HA GLY 65 6.787 16.041 -21.283 524 2HA GLY 65 2HA GLY 65 7.096 14.504 -22.066 525 H ARG 66 HN ARG 66 4.096 14.735 -20.264 526 HA ARG 66 HA ARG 66 2.720 14.987 -22.815 527 1HB ARG 66 2HB ARG 66 0.839 13.905 -21.102 528 2HB ARG 66 3HB ARG 66 1.865 12.959 -22.162 529 1HG ARG 66 2HG ARG 66 2.141 11.988 -19.991 530 2HG ARG 66 3HG ARG 66 3.602 12.916 -20.268 531 1HD ARG 66 2HD ARG 66 3.172 14.291 -18.502 532 2HD ARG 66 3HD ARG 66 1.535 14.599 -19.047 533 HE ARG 66 HE ARG 66 0.860 12.459 -17.937 534 1HH1 ARG 66 2HH2 ARG 66 3.940 13.900 -17.031 535 2HH1 ARG 66 1HH2 ARG 66 3.997 13.116 -15.487 536 1HH2 ARG 66 2HH1 ARG 66 0.935 11.426 -15.900 537 2HH2 ARG 66 1HH1 ARG 66 2.277 11.700 -14.839 538 H ASP 67 HN ASP 67 0.133 15.543 -22.051 539 HA ASP 67 HA ASP 67 0.470 18.168 -20.922 540 1HB ASP 67 2HB ASP 67 -2.235 17.160 -21.727 541 2HB ASP 67 3HB ASP 67 -1.503 18.725 -22.020 542 H VAL 68 HN VAL 68 -0.861 18.901 -19.077 543 HA VAL 68 HA VAL 68 -2.359 16.844 -17.673 544 HB VAL 68 HB VAL 68 0.162 18.149 -16.702 545 1HG1 VAL 68 1HG1 VAL 68 -2.054 17.075 -14.923 546 2HG1 VAL 68 2HG1 VAL 68 -0.428 17.560 -14.387 547 3HG1 VAL 68 3HG1 VAL 68 -1.543 18.775 -15.056 548 1HG2 VAL 68 1HG2 VAL 68 -0.827 15.348 -16.157 549 2HG2 VAL 68 2HG2 VAL 68 -0.022 15.770 -17.687 550 3HG2 VAL 68 3HG2 VAL 68 0.839 15.974 -16.143 551 H GLU 69 HN GLU 69 -3.860 17.748 -16.106 552 HA GLU 69 HA GLU 69 -3.974 20.582 -15.885 553 1HB GLU 69 2HB GLU 69 -6.558 19.578 -16.934 554 2HB GLU 69 3HB GLU 69 -5.722 21.081 -17.273 555 1HG GLU 69 2HG GLU 69 -4.213 19.970 -18.848 556 2HG GLU 69 3HG GLU 69 -4.817 18.389 -18.391 557 H ILE 70 HN ILE 70 -4.916 21.130 -13.930 558 HA ILE 70 HA ILE 70 -5.719 18.974 -12.244 559 HB ILE 70 HB ILE 70 -5.845 21.940 -11.710 560 1HG1 ILE 70 2HG1 ILE 70 -3.532 21.114 -10.534 561 2HG1 ILE 70 3HG1 ILE 70 -3.523 20.121 -11.979 562 1HG2 ILE 70 1HG2 ILE 70 -6.954 20.113 -10.188 563 2HG2 ILE 70 2HG2 ILE 70 -5.278 19.830 -9.660 564 3HG2 ILE 70 3HG2 ILE 70 -6.009 21.442 -9.472 565 1HD1 ILE 70 1HD1 ILE 70 -3.165 21.908 -13.361 566 2HD1 ILE 70 2HD1 ILE 70 -4.308 22.943 -12.472 567 3HD1 ILE 70 3HD1 ILE 70 -2.645 22.733 -11.872 568 H VAL 71 HN VAL 71 -7.685 18.041 -12.325 569 HA VAL 71 HA VAL 71 -9.915 19.713 -13.227 570 HB VAL 71 HB VAL 71 -9.992 16.729 -12.937 571 1HG1 VAL 71 1HG1 VAL 71 -11.205 18.031 -15.279 572 2HG1 VAL 71 2HG1 VAL 71 -11.898 16.870 -14.122 573 3HG1 VAL 71 3HG1 VAL 71 -11.852 18.604 -13.723 574 1HG2 VAL 71 1HG2 VAL 71 -8.342 16.434 -14.411 575 2HG2 VAL 71 2HG2 VAL 71 -9.352 17.258 -15.623 576 3HG2 VAL 71 3HG2 VAL 71 -8.176 18.188 -14.663 577 H SER 72 HN SER 72 -11.664 17.449 -11.990 578 HA SER 72 HA SER 72 -12.927 17.313 -10.222 579 1HB SER 72 2HB SER 72 -10.919 16.068 -9.423 580 2HB SER 72 3HB SER 72 -10.275 17.542 -8.729 581 HG SER 72 HG SER 72 -12.824 16.380 -7.989 582 H GLY 73 HN GLY 73 -11.202 18.825 -7.714 583 1HA GLY 73 1HA GLY 73 -12.241 21.509 -8.278 584 2HA GLY 73 2HA GLY 73 -12.843 20.664 -6.866 585 H GLN 74 HN GLN 74 -10.140 22.391 -8.298 586 HA GLN 74 HA GLN 74 -8.231 21.631 -6.386 587 1HB GLN 74 2HB GLN 74 -7.275 24.008 -7.286 588 2HB GLN 74 3HB GLN 74 -7.126 22.512 -8.186 589 1HG GLN 74 2HG GLN 74 -8.921 23.047 -9.641 590 2HG GLN 74 3HG GLN 74 -9.620 24.200 -8.521 591 1HE2 GLN 74 1HE2 GLN 74 -8.303 26.131 -8.006 592 2HE2 GLN 74 2HE2 GLN 74 -7.392 26.883 -9.273 593 H LYS 75 HN LYS 75 -10.962 23.796 -6.358 594 HA LYS 75 HA LYS 75 -10.167 25.795 -4.669 595 1HB LYS 75 2HB LYS 75 -12.870 24.505 -4.386 596 2HB LYS 75 3HB LYS 75 -12.437 26.201 -4.309 597 1HG LYS 75 2HG LYS 75 -11.597 25.610 -6.856 598 2HG LYS 75 3HG LYS 75 -12.920 24.471 -6.700 599 1HD LYS 75 2HD LYS 75 -13.163 27.457 -6.101 600 2HD LYS 75 3HD LYS 75 -13.601 26.729 -7.633 601 1HE LYS 75 2HE LYS 75 -14.928 25.127 -5.730 602 2HE LYS 75 3HE LYS 75 -15.084 26.750 -5.088 603 1HZ LYS 75 1HZ LYS 75 -16.628 27.099 -6.594 604 2HZ LYS 75 2HZ LYS 75 -15.547 26.900 -7.802 605 3HZ LYS 75 3HZ LYS 75 -16.410 25.623 -7.259 606 H SER 76 HN SER 76 -11.019 22.389 -3.928 607 HA SER 76 HA SER 76 -10.460 22.971 -1.138 608 1HB SER 76 2HB SER 76 -12.442 21.410 -2.385 609 2HB SER 76 3HB SER 76 -11.315 20.226 -1.753 610 HG SER 76 HG SER 76 -11.462 21.501 0.334 611 H ARG 77 HN ARG 77 -8.469 22.692 -3.458 612 HA ARG 77 HA ARG 77 -6.439 21.958 -3.660 613 1HB ARG 77 2HB ARG 77 -5.306 21.497 -1.730 614 2HB ARG 77 3HB ARG 77 -6.851 21.613 -0.912 615 1HG ARG 77 2HG ARG 77 -7.232 19.177 -1.234 616 2HG ARG 77 3HG ARG 77 -5.728 19.042 -2.123 617 1HD ARG 77 2HD ARG 77 -5.766 18.448 0.452 618 2HD ARG 77 3HD ARG 77 -4.398 19.325 -0.204 619 HE ARG 77 HE ARG 77 -6.521 20.425 1.539 620 1HH1 ARG 77 2HH2 ARG 77 -3.739 21.084 -0.512 621 2HH1 ARG 77 1HH2 ARG 77 -3.445 22.648 0.171 622 1HH2 ARG 77 2HH1 ARG 77 -6.134 22.489 2.440 623 2HH2 ARG 77 1HH1 ARG 77 -4.816 23.453 1.862 624 H GLN 78 HN GLN 78 -8.707 19.400 -2.455 625 HA GLN 78 HA GLN 78 -7.404 17.366 -3.918 626 1HB GLN 78 2HB GLN 78 -9.651 17.609 -2.041 627 2HB GLN 78 3HB GLN 78 -10.008 16.473 -3.327 628 1HG GLN 78 2HG GLN 78 -8.578 14.927 -2.475 629 2HG GLN 78 3HG GLN 78 -7.268 16.088 -2.392 630 1HE2 GLN 78 1HE2 GLN 78 -6.954 17.334 -0.548 631 2HE2 GLN 78 2HE2 GLN 78 -7.631 16.922 0.992 632 H LYS 79 HN LYS 79 -7.450 17.226 -6.118 633 HA LYS 79 HA LYS 79 -10.028 17.587 -7.421 634 1HB LYS 79 2HB LYS 79 -8.230 18.793 -9.185 635 2HB LYS 79 3HB LYS 79 -9.498 19.575 -8.263 636 1HG LYS 79 2HG LYS 79 -7.371 20.703 -7.808 637 2HG LYS 79 3HG LYS 79 -7.908 19.891 -6.351 638 1HD LYS 79 2HD LYS 79 -5.388 19.637 -7.301 639 2HD LYS 79 3HD LYS 79 -6.177 18.365 -6.390 640 1HE LYS 79 2HE LYS 79 -6.579 17.050 -8.291 641 2HE LYS 79 3HE LYS 79 -6.624 18.428 -9.373 642 1HZ LYS 79 1HZ LYS 79 -4.545 17.913 -9.837 643 2HZ LYS 79 2HZ LYS 79 -4.111 18.437 -8.352 644 3HZ LYS 79 3HZ LYS 79 -4.415 16.852 -8.602 645 H THR 80 HN THR 80 -9.114 17.263 -10.073 646 HA THR 80 HA THR 80 -7.709 14.680 -9.922 647 HB THR 80 HB THR 80 -10.372 15.448 -11.124 648 HG1 THR 80 HG1 THR 80 -9.382 12.849 -10.341 649 1HG2 THR 80 1HG2 THR 80 -9.740 12.957 -12.236 650 2HG2 THR 80 2HG2 THR 80 -9.833 14.487 -13.141 651 3HG2 THR 80 3HG2 THR 80 -8.265 13.908 -12.529 652 H ILE 81 HN ILE 81 -5.932 14.539 -11.138 653 HA ILE 81 HA ILE 81 -5.356 16.760 -12.891 654 HB ILE 81 HB ILE 81 -3.137 15.818 -12.999 655 1HG1 ILE 81 2HG1 ILE 81 -4.122 13.518 -11.291 656 2HG1 ILE 81 3HG1 ILE 81 -3.901 13.414 -13.026 657 1HG2 ILE 81 1HG2 ILE 81 -3.417 17.231 -11.153 658 2HG2 ILE 81 2HG2 ILE 81 -4.397 16.038 -10.268 659 3HG2 ILE 81 3HG2 ILE 81 -2.651 15.771 -10.484 660 1HD1 ILE 81 1HD1 ILE 81 -1.515 13.944 -12.819 661 2HD1 ILE 81 2HD1 ILE 81 -1.703 14.237 -11.073 662 3HD1 ILE 81 3HD1 ILE 81 -1.910 12.594 -11.727 663 H ARG 82 HN ARG 82 -6.041 16.774 -14.958 664 HA ARG 82 HA ARG 82 -6.584 14.205 -16.161 665 1HB ARG 82 2HB ARG 82 -8.421 15.753 -16.380 666 2HB ARG 82 3HB ARG 82 -7.363 17.069 -16.851 667 1HG ARG 82 2HG ARG 82 -6.792 15.805 -18.965 668 2HG ARG 82 3HG ARG 82 -7.937 14.562 -18.500 669 1HD ARG 82 2HD ARG 82 -9.131 17.257 -18.370 670 2HD ARG 82 3HD ARG 82 -8.519 16.890 -19.971 671 HE ARG 82 HE ARG 82 -10.734 15.529 -18.582 672 1HH1 ARG 82 2HH2 ARG 82 -8.445 15.423 -21.253 673 2HH1 ARG 82 1HH2 ARG 82 -9.386 14.304 -22.182 674 1HH2 ARG 82 2HH1 ARG 82 -11.976 14.053 -19.808 675 2HH2 ARG 82 1HH1 ARG 82 -11.408 13.520 -21.355 676 H ILE 83 HN ILE 83 -5.021 13.307 -17.465 677 HA ILE 83 HA ILE 83 -3.009 15.108 -18.578 678 HB ILE 83 HB ILE 83 -2.935 12.099 -18.486 679 1HG1 ILE 83 2HG1 ILE 83 -2.554 14.066 -16.294 680 2HG1 ILE 83 3HG1 ILE 83 -3.080 12.396 -16.235 681 1HG2 ILE 83 1HG2 ILE 83 -0.709 12.257 -19.025 682 2HG2 ILE 83 2HG2 ILE 83 -1.371 13.637 -19.934 683 3HG2 ILE 83 3HG2 ILE 83 -0.551 13.908 -18.378 684 1HD1 ILE 83 1HD1 ILE 83 -0.917 12.362 -15.245 685 2HD1 ILE 83 2HD1 ILE 83 -0.640 11.782 -16.905 686 3HD1 ILE 83 3HD1 ILE 83 -0.246 13.463 -16.473 687 H GLN 84 HN GLN 84 -2.804 15.475 -20.751 688 HA GLN 84 HA GLN 84 -4.814 14.153 -22.383 689 1HB GLN 84 2HB GLN 84 -4.800 16.679 -22.227 690 2HB GLN 84 3HB GLN 84 -3.223 16.683 -22.991 691 1HG GLN 84 2HG GLN 84 -4.310 15.325 -24.913 692 2HG GLN 84 3HG GLN 84 -5.855 15.718 -24.185 693 1HE2 GLN 84 1HE2 GLN 84 -6.826 17.448 -24.895 694 2HE2 GLN 84 2HE2 GLN 84 -6.100 18.837 -25.633 695 H GLY 85 HN GLY 85 -4.250 12.964 -24.229 696 1HA GLY 85 1HA GLY 85 -2.904 12.060 -25.825 697 2HA GLY 85 2HA GLY 85 -1.565 13.048 -25.275 698 H MET 86 HN MET 86 -2.754 11.746 -22.457 699 HA MET 86 HA MET 86 -0.932 9.480 -22.695 700 1HB MET 86 2HB MET 86 0.032 10.637 -20.930 701 2HB MET 86 3HB MET 86 -1.417 11.579 -20.639 702 1HG MET 86 2HG MET 86 -2.337 9.985 -19.178 703 2HG MET 86 3HG MET 86 -1.481 8.648 -19.921 704 1HE MET 86 1HE MET 86 2.053 10.151 -19.354 705 2HE MET 86 2HE MET 86 1.770 8.448 -18.921 706 3HE MET 86 3HE MET 86 1.005 9.136 -20.373 707 H GLY 87 HN GLY 87 -1.480 7.631 -21.066 708 1HA GLY 87 1HA GLY 87 -4.413 7.317 -20.872 709 2HA GLY 87 2HA GLY 87 -3.384 6.056 -21.522 710 H ARG 88 HN ARG 88 -4.086 4.602 -19.811 711 HA ARG 88 HA ARG 88 -3.547 5.372 -17.131 712 1HB ARG 88 2HB ARG 88 -5.263 3.558 -18.302 713 2HB ARG 88 3HB ARG 88 -3.986 2.480 -17.773 714 1HG ARG 88 2HG ARG 88 -4.183 3.278 -15.460 715 2HG ARG 88 3HG ARG 88 -5.306 4.535 -15.940 716 1HD ARG 88 2HD ARG 88 -6.688 2.430 -16.913 717 2HD ARG 88 3HD ARG 88 -5.771 1.564 -15.697 718 HE ARG 88 HE ARG 88 -6.986 4.017 -14.663 719 1HH1 ARG 88 2HH2 ARG 88 -7.530 0.604 -15.326 720 2HH1 ARG 88 1HH2 ARG 88 -8.803 0.450 -14.161 721 1HH2 ARG 88 2HH1 ARG 88 -8.665 3.814 -13.127 722 2HH2 ARG 88 1HH1 ARG 88 -9.453 2.289 -12.902 723 H ASP 89 HN ASP 89 -2.354 2.714 -19.328 724 HA ASP 89 HA ASP 89 -0.405 1.746 -17.747 725 1HB ASP 89 2HB ASP 89 -0.312 2.187 -20.769 726 2HB ASP 89 3HB ASP 89 0.770 1.116 -19.900 727 H LEU 90 HN LEU 90 -0.406 4.652 -19.877 728 HA LEU 90 HA LEU 90 2.297 5.216 -19.871 729 1HB LEU 90 2HB LEU 90 0.131 7.303 -19.792 730 2HB LEU 90 3HB LEU 90 1.695 7.383 -20.578 731 HG LEU 90 HG LEU 90 -0.809 5.989 -21.455 732 1HD1 LEU 90 1HD1 LEU 90 -0.793 7.529 -23.053 733 2HD1 LEU 90 2HD1 LEU 90 0.584 8.297 -22.226 734 3HD1 LEU 90 3HD1 LEU 90 0.873 7.110 -23.521 735 1HD2 LEU 90 1HD2 LEU 90 0.387 4.110 -21.830 736 2HD2 LEU 90 2HD2 LEU 90 0.919 5.007 -23.272 737 3HD2 LEU 90 3HD2 LEU 90 1.949 4.963 -21.821 738 H PHE 91 HN PHE 91 -0.207 6.785 -17.747 739 HA PHE 91 HA PHE 91 1.537 8.034 -16.067 740 1HB PHE 91 2HB PHE 91 -0.933 8.324 -16.084 741 2HB PHE 91 3HB PHE 91 -1.172 6.651 -15.622 742 HD1 PHE 91 HD1 PHE 91 -0.124 5.961 -13.315 743 HD2 PHE 91 HD2 PHE 91 -0.974 9.961 -14.446 744 HE1 PHE 91 HE1 PHE 91 -0.167 6.635 -10.898 745 HE2 PHE 91 HE2 PHE 91 -1.018 10.635 -12.029 746 HZ PHE 91 HZ PHE 91 -0.614 8.964 -10.283 747 H LEU 92 HN LEU 92 0.260 4.657 -15.864 748 HA LEU 92 HA LEU 92 1.471 4.100 -13.387 749 1HB LEU 92 2HB LEU 92 -0.144 2.769 -15.358 750 2HB LEU 92 3HB LEU 92 1.169 1.717 -14.869 751 HG LEU 92 HG LEU 92 -0.844 3.026 -13.019 752 1HD1 LEU 92 1HD1 LEU 92 -2.102 1.179 -13.119 753 2HD1 LEU 92 2HD1 LEU 92 -1.239 0.856 -14.642 754 3HD1 LEU 92 3HD1 LEU 92 -0.691 0.094 -13.130 755 1HD2 LEU 92 1HD2 LEU 92 1.273 2.847 -11.880 756 2HD2 LEU 92 2HD2 LEU 92 0.167 1.597 -11.261 757 3HD2 LEU 92 3HD2 LEU 92 1.459 1.156 -12.403 758 H LYS 93 HN LYS 93 2.483 3.610 -16.820 759 HA LYS 93 HA LYS 93 4.753 2.158 -16.407 760 1HB LYS 93 2HB LYS 93 3.561 3.121 -18.566 761 2HB LYS 93 3HB LYS 93 4.768 4.381 -18.419 762 1HG LYS 93 2HG LYS 93 6.373 3.012 -19.250 763 2HG LYS 93 3HG LYS 93 6.065 1.826 -17.997 764 1HD LYS 93 2HD LYS 93 4.188 2.034 -20.372 765 2HD LYS 93 3HD LYS 93 5.704 1.171 -20.533 766 1HE LYS 93 2HE LYS 93 4.634 0.221 -18.098 767 2HE LYS 93 3HE LYS 93 3.239 0.357 -19.149 768 1HZ LYS 93 1HZ LYS 93 5.333 -0.741 -20.606 769 2HZ LYS 93 2HZ LYS 93 5.217 -1.570 -19.204 770 3HZ LYS 93 3HZ LYS 93 3.919 -1.442 -20.186 771 H LEU 94 HN LEU 94 4.442 5.777 -16.391 772 HA LEU 94 HA LEU 94 7.099 6.264 -15.743 773 1HB LEU 94 2HB LEU 94 4.676 7.722 -16.097 774 2HB LEU 94 3HB LEU 94 5.416 8.260 -14.603 775 HG LEU 94 HG LEU 94 6.348 8.561 -17.414 776 1HD1 LEU 94 1HD1 LEU 94 6.959 10.410 -15.133 777 2HD1 LEU 94 2HD1 LEU 94 6.656 10.772 -16.850 778 3HD1 LEU 94 3HD1 LEU 94 5.304 10.321 -15.783 779 1HD2 LEU 94 1HD2 LEU 94 8.681 9.114 -16.261 780 2HD2 LEU 94 2HD2 LEU 94 8.148 7.825 -15.155 781 3HD2 LEU 94 3HD2 LEU 94 8.293 7.499 -16.899 782 H VAL 95 HN VAL 95 4.205 5.651 -13.683 783 HA VAL 95 HA VAL 95 5.490 6.165 -11.249 784 HB VAL 95 HB VAL 95 3.059 4.624 -12.110 785 1HG1 VAL 95 1HG1 VAL 95 3.925 4.989 -9.224 786 2HG1 VAL 95 2HG1 VAL 95 2.473 4.151 -9.823 787 3HG1 VAL 95 3HG1 VAL 95 4.088 3.470 -10.137 788 1HG2 VAL 95 1HG2 VAL 95 2.651 6.928 -12.186 789 2HG2 VAL 95 2HG2 VAL 95 2.017 6.445 -10.595 790 3HG2 VAL 95 3HG2 VAL 95 3.602 7.245 -10.715 791 H SER 96 HN SER 96 5.105 3.190 -13.251 792 HA SER 96 HA SER 96 6.367 1.566 -11.326 793 1HB SER 96 2HB SER 96 4.750 0.884 -13.238 794 2HB SER 96 3HB SER 96 6.141 0.970 -14.300 795 HG SER 96 HG SER 96 6.422 -1.070 -13.678 796 H GLU 97 HN GLU 97 7.410 3.603 -14.044 797 HA GLU 97 HA GLU 97 9.989 2.414 -14.177 798 1HB GLU 97 2HB GLU 97 8.479 4.530 -15.598 799 2HB GLU 97 3HB GLU 97 10.192 4.871 -15.457 800 1HG GLU 97 2HG GLU 97 9.978 2.100 -16.147 801 2HG GLU 97 3HG GLU 97 8.855 2.955 -17.187 802 H LYS 98 HN LYS 98 8.602 5.536 -12.954 803 HA LYS 98 HA LYS 98 11.153 6.207 -11.767 804 1HB LYS 98 2HB LYS 98 8.698 7.610 -12.524 805 2HB LYS 98 3HB LYS 98 9.277 8.084 -10.940 806 1HG LYS 98 2HG LYS 98 10.903 9.334 -11.900 807 2HG LYS 98 3HG LYS 98 11.587 7.895 -12.629 808 1HD LYS 98 2HD LYS 98 10.555 8.260 -14.679 809 2HD LYS 98 3HD LYS 98 9.144 9.014 -13.963 810 1HE LYS 98 2HE LYS 98 10.023 11.027 -14.539 811 2HE LYS 98 3HE LYS 98 11.252 10.775 -13.316 812 1HZ LYS 98 1HZ LYS 98 11.603 10.860 -16.037 813 2HZ LYS 98 2HZ LYS 98 12.734 10.535 -14.905 814 3HZ LYS 98 3HZ LYS 98 11.905 9.314 -15.606 815 H PHE 99 HN PHE 99 7.733 5.731 -10.621 816 HA PHE 99 HA PHE 99 8.562 5.593 -7.914 817 1HB PHE 99 2HB PHE 99 6.185 5.773 -9.519 818 2HB PHE 99 3HB PHE 99 6.008 4.283 -8.614 819 HD1 PHE 99 HD1 PHE 99 6.311 7.931 -8.350 820 HD2 PHE 99 HD2 PHE 99 5.685 4.311 -6.225 821 HE1 PHE 99 HE1 PHE 99 5.548 9.238 -6.348 822 HE2 PHE 99 HE2 PHE 99 4.922 5.619 -4.223 823 HZ PHE 99 HZ PHE 99 4.863 8.066 -4.308 824 H GLY 100 HN GLY 100 8.817 3.394 -10.515 825 1HA GLY 100 1HA GLY 100 9.232 1.189 -10.655 826 2HA GLY 100 2HA GLY 100 9.931 1.341 -9.055 827 H LEU 101 HN LEU 101 6.528 2.192 -9.496 828 HA LEU 101 HA LEU 101 5.795 -0.378 -8.274 829 1HB LEU 101 2HB LEU 101 5.340 2.378 -7.382 830 2HB LEU 101 3HB LEU 101 3.884 1.404 -7.428 831 HG LEU 101 HG LEU 101 4.702 -0.130 -5.840 832 1HD1 LEU 101 1HD1 LEU 101 6.816 -0.793 -6.342 833 2HD1 LEU 101 2HD1 LEU 101 7.383 0.860 -6.678 834 3HD1 LEU 101 3HD1 LEU 101 7.193 0.310 -4.996 835 1HD2 LEU 101 1HD2 LEU 101 4.747 2.678 -5.279 836 2HD2 LEU 101 2HD2 LEU 101 4.288 1.323 -4.219 837 3HD2 LEU 101 3HD2 LEU 101 5.982 1.866 -4.287 838 H GLU 102 HN GLU 102 3.867 -1.350 -9.004 839 HA GLU 102 HA GLU 102 2.725 -0.010 -11.331 840 1HB GLU 102 2HB GLU 102 4.197 -2.170 -11.652 841 2HB GLU 102 3HB GLU 102 2.793 -3.025 -11.042 842 1HG GLU 102 2HG GLU 102 2.001 -1.057 -13.063 843 2HG GLU 102 3HG GLU 102 3.229 -2.133 -13.700 844 H ILE 103 HN ILE 103 0.416 -0.331 -11.690 845 HA ILE 103 HA ILE 103 -0.955 -1.190 -9.237 846 HB ILE 103 HB ILE 103 -1.610 0.985 -11.218 847 1HG1 ILE 103 2HG1 ILE 103 -1.335 1.227 -8.223 848 2HG1 ILE 103 3HG1 ILE 103 0.065 1.310 -9.274 849 1HG2 ILE 103 1HG2 ILE 103 -3.602 -0.446 -10.513 850 2HG2 ILE 103 2HG2 ILE 103 -3.345 0.203 -8.876 851 3HG2 ILE 103 3HG2 ILE 103 -3.714 1.306 -10.223 852 1HD1 ILE 103 1HD1 ILE 103 -2.333 3.168 -9.187 853 2HD1 ILE 103 2HD1 ILE 103 -0.605 3.574 -9.052 854 3HD1 ILE 103 3HD1 ILE 103 -1.286 3.092 -10.624 855 HA PRO 104 HA PRO 104 -2.438 -4.241 -12.014 856 1HB PRO 104 2HB PRO 104 -3.472 -5.918 -10.120 857 2HB PRO 104 3HB PRO 104 -1.800 -5.975 -10.641 858 1HG PRO 104 2HG PRO 104 -2.922 -4.899 -8.127 859 2HG PRO 104 3HG PRO 104 -1.267 -5.351 -8.486 860 1HD PRO 104 2HD PRO 104 -2.328 -2.690 -8.354 861 2HD PRO 104 3HD PRO 104 -0.704 -3.149 -8.826
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