NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15082 | 1xgl | 1344 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -9.423 -6.561 1.639 2 2H GLY 1 3H GLY 1 -9.173 -7.435 0.207 3 3H GLY 1 2H GLY 1 -8.325 -7.857 1.618 4 1HA GLY 1 2HA GLY 1 -6.691 -6.520 1.092 5 2HA GLY 1 1HA GLY 1 -7.549 -6.065 -0.373 6 H ILE 2 H ILE 2 -6.183 -4.102 0.387 7 HA ILE 2 HA ILE 2 -7.878 -2.305 2.072 8 HB ILE 2 HB ILE 2 -6.182 -2.091 3.340 9 1HG1 ILE 2 2HG1 ILE 2 -3.838 -1.011 2.304 10 2HG1 ILE 2 1HG1 ILE 2 -5.094 -0.295 1.357 11 1HG2 ILE 2 1HG2 ILE 2 -4.346 -3.483 1.315 12 2HG2 ILE 2 3HG2 ILE 2 -3.836 -3.124 2.955 13 3HG2 ILE 2 2HG2 ILE 2 -5.150 -4.253 2.675 14 1HD1 ILE 2 1HD ILE 2 -4.934 -0.402 4.425 15 2HD1 ILE 2 3HD ILE 2 -4.621 1.028 3.427 16 3HD1 ILE 2 2HD ILE 2 -6.237 0.362 3.524 17 H VAL 3 H VAL 3 -7.468 -0.099 1.733 18 HA VAL 3 HA VAL 3 -7.556 0.628 -1.193 19 HB VAL 3 HB VAL 3 -8.928 2.627 -0.523 20 1HG1 VAL 3 2HG1 VAL 3 -10.106 0.583 -1.199 21 2HG1 VAL 3 1HG1 VAL 3 -10.087 -0.002 0.466 22 3HG1 VAL 3 3HG1 VAL 3 -10.994 1.455 0.041 23 1HG2 VAL 3 2HG2 VAL 3 -8.871 1.353 2.256 24 2HG2 VAL 3 1HG2 VAL 3 -8.099 2.866 1.838 25 3HG2 VAL 3 3HG2 VAL 3 -9.841 2.737 1.815 26 H GLU 4 H GLU 4 -7.227 2.957 -1.552 27 HA GLU 4 HA GLU 4 -5.897 4.956 -0.552 28 1HB GLU 4 1HB GLU 4 -4.137 3.979 0.597 29 2HB GLU 4 2HB GLU 4 -3.729 2.745 -0.517 30 1HG GLU 4 2HG GLU 4 -1.957 4.384 -0.567 31 2HG GLU 4 1HG GLU 4 -2.813 4.781 -2.023 32 H GLN 5 H GLN 5 -4.752 2.859 -3.184 33 HA GLN 5 HA GLN 5 -4.030 3.395 -5.328 34 1HB GLN 5 1HB GLN 5 -6.375 2.982 -5.439 35 2HB GLN 5 2HB GLN 5 -6.796 4.601 -4.940 36 1HG GLN 5 2HG GLN 5 -7.311 4.226 -7.301 37 2HG GLN 5 1HG GLN 5 -6.058 5.428 -7.226 38 1HE2 GLN 5 1HE2 GLN 5 -5.434 1.934 -9.170 39 2HE2 GLN 5 2HE2 GLN 5 -6.944 2.352 -8.506 40 H CYS 6 H CYS 6 -4.318 5.357 -7.035 41 HA CYS 6 HA CYS 6 -2.477 6.905 -7.434 42 1HB CYS 6 1HB CYS 6 -5.320 7.682 -7.612 43 2HB CYS 6 2HB CYS 6 -4.122 8.857 -8.086 44 H CYS 7 H CYS 7 -4.267 7.992 -4.699 45 HA CYS 7 HA CYS 7 -2.985 9.241 -2.975 46 1HB CYS 7 1HB CYS 7 -1.315 10.273 -4.738 47 2HB CYS 7 2HB CYS 7 -2.629 11.250 -5.355 48 H THR 8 H THR 8 -4.974 8.589 -2.744 49 HA THR 8 HA THR 8 -7.103 10.581 -3.293 50 HB THR 8 HB THR 8 -7.325 7.504 -2.971 51 HG1 THR 8 HG1 THR 8 -6.219 8.250 -4.813 52 1HG2 THR 8 1HG2 THR 8 -9.224 9.607 -4.068 53 2HG2 THR 8 3HG2 THR 8 -9.536 7.885 -3.889 54 3HG2 THR 8 2HG2 THR 8 -9.423 8.915 -2.467 55 H SER 9 H SER 9 -5.499 8.571 -0.893 56 HA SER 9 HA SER 9 -7.110 9.942 1.213 57 1HB SER 9 2HB SER 9 -6.760 7.846 2.588 58 2HB SER 9 1HB SER 9 -7.671 7.555 1.110 59 HG SER 9 HG SER 9 -5.212 6.657 1.796 60 H ILE 10 H ILE 10 -4.149 8.108 1.220 61 HA ILE 10 HA ILE 10 -2.674 10.425 2.382 62 HB ILE 10 HB ILE 10 -2.655 7.606 3.617 63 1HG1 ILE 10 2HG1 ILE 10 -4.111 10.145 4.574 64 2HG1 ILE 10 1HG1 ILE 10 -4.906 8.744 3.892 65 1HG2 ILE 10 1HG2 ILE 10 -1.587 10.265 4.673 66 2HG2 ILE 10 3HG2 ILE 10 -1.579 8.746 5.550 67 3HG2 ILE 10 2HG2 ILE 10 -0.582 8.924 4.145 68 1HD1 ILE 10 2HD ILE 10 -4.193 7.344 5.743 69 2HD1 ILE 10 1HD ILE 10 -3.390 8.708 6.509 70 3HD1 ILE 10 3HD ILE 10 -5.126 8.728 6.286 71 H CYS 11 H CYS 11 -2.640 9.062 -0.207 72 HA CYS 11 HA CYS 11 -1.104 7.621 -1.517 73 1HB CYS 11 1HB CYS 11 0.519 10.035 -1.701 74 2HB CYS 11 2HB CYS 11 -0.567 9.334 -2.850 75 H SER 12 H SER 12 -0.288 6.289 0.238 76 HA SER 12 HA SER 12 2.497 6.900 1.019 77 1HB SER 12 2HB SER 12 1.732 5.224 2.994 78 2HB SER 12 1HB SER 12 1.192 6.898 2.985 79 HG SER 12 HG SER 12 -0.731 6.243 2.105 80 H LEU 13 H LEU 13 3.949 5.472 1.076 81 HA LEU 13 HA LEU 13 3.909 3.193 -0.810 82 1HB LEU 13 1HB LEU 13 6.216 4.716 0.454 83 2HB LEU 13 2HB LEU 13 6.431 3.262 -0.479 84 HG LEU 13 HG LEU 13 5.624 4.272 -2.494 85 1HD1 LEU 13 1HD1 LEU 13 4.853 6.694 -0.791 86 2HD1 LEU 13 3HD1 LEU 13 4.809 6.640 -2.548 87 3HD1 LEU 13 2HD1 LEU 13 3.746 5.619 -1.633 88 1HD2 LEU 13 1HD2 LEU 13 7.956 4.834 -1.850 89 2HD2 LEU 13 3HD2 LEU 13 7.224 6.168 -2.733 90 3HD2 LEU 13 2HD2 LEU 13 7.380 6.264 -0.987 91 H TYR 14 H TYR 14 4.235 4.047 2.510 92 HA TYR 14 HA TYR 14 5.308 1.555 3.517 93 1HB TYR 14 1HB TYR 14 5.550 3.770 4.680 94 2HB TYR 14 2HB TYR 14 3.830 3.838 4.996 95 HD1 TYR 14 HD1 TYR 14 2.817 1.745 6.265 96 HD2 TYR 14 HD2 TYR 14 6.969 2.685 6.199 97 HE1 TYR 14 HE1 TYR 14 3.157 0.336 8.204 98 HE2 TYR 14 HE2 TYR 14 7.312 1.256 8.184 99 HH TYR 14 HH TYR 14 6.338 -0.099 9.693 100 H GLN 15 H GLN 15 2.341 2.927 2.612 101 HA GLN 15 HA GLN 15 0.551 1.031 3.883 102 1HB GLN 15 1HB GLN 15 -0.027 3.340 3.575 103 2HB GLN 15 2HB GLN 15 0.364 3.310 1.878 104 1HG GLN 15 2HG GLN 15 -1.980 1.860 3.137 105 2HG GLN 15 1HG GLN 15 -2.064 3.424 2.348 106 1HE2 GLN 15 1HE2 GLN 15 -2.783 0.479 -0.021 107 2HE2 GLN 15 2HE2 GLN 15 -3.271 0.735 1.582 108 H LEU 16 H LEU 16 2.338 1.355 0.868 109 HA LEU 16 HA LEU 16 0.773 -0.648 -0.534 110 1HB LEU 16 1HB LEU 16 3.618 0.239 -1.182 111 2HB LEU 16 2HB LEU 16 2.524 -0.635 -2.235 112 HG LEU 16 HG LEU 16 2.002 2.180 -1.238 113 1HD1 LEU 16 2HD1 LEU 16 3.977 2.051 -2.781 114 2HD1 LEU 16 1HD1 LEU 16 2.995 1.161 -3.935 115 3HD1 LEU 16 3HD1 LEU 16 2.633 2.835 -3.584 116 1HD2 LEU 16 1HD2 LEU 16 -0.090 0.947 -1.891 117 2HD2 LEU 16 3HD2 LEU 16 0.270 2.254 -3.011 118 3HD2 LEU 16 2HD2 LEU 16 0.629 0.594 -3.445 119 H GLU 17 H GLU 17 3.398 -0.498 1.713 120 HA GLU 17 HA GLU 17 4.524 -3.093 1.221 121 1HB GLU 17 1HB GLU 17 4.665 -1.121 3.605 122 2HB GLU 17 2HB GLU 17 5.546 -2.626 3.639 123 1HG GLU 17 2HG GLU 17 6.912 -1.936 1.824 124 2HG GLU 17 1HG GLU 17 5.766 -0.743 1.250 125 H ASN 18 H ASN 18 1.889 -1.925 3.082 126 HA ASN 18 HA ASN 18 1.319 -4.046 4.815 127 1HB ASN 18 1HB ASN 18 0.166 -1.842 4.858 128 2HB ASN 18 2HB ASN 18 -0.593 -2.210 3.319 129 1HD2 ASN 18 1HD2 ASN 18 -2.401 -3.415 6.667 130 2HD2 ASN 18 2HD2 ASN 18 -1.091 -2.338 6.675 131 H TYR 19 H TYR 19 0.996 -3.917 1.436 132 HA TYR 19 HA TYR 19 -1.005 -5.828 0.904 133 1HB TYR 19 1HB TYR 19 1.416 -4.903 -0.727 134 2HB TYR 19 2HB TYR 19 0.239 -6.032 -1.341 135 HD1 TYR 19 HD1 TYR 19 0.042 -2.751 0.661 136 HD2 TYR 19 HD2 TYR 19 -1.342 -5.055 -2.658 137 HE1 TYR 19 HE1 TYR 19 -1.412 -0.959 0.027 138 HE2 TYR 19 HE2 TYR 19 -2.816 -3.212 -3.279 139 HH TYR 19 HH TYR 19 -2.467 -0.105 -1.990 140 H CYS 20 H CYS 20 2.431 -6.461 1.547 141 HA CYS 20 HA CYS 20 1.823 -9.390 1.551 142 1HB CYS 20 1HB CYS 20 3.936 -7.912 0.212 143 2HB CYS 20 2HB CYS 20 4.241 -9.562 0.757 144 H ASN 21 H ASN 21 3.530 -6.680 2.944 145 HA ASN 21 HA ASN 21 4.454 -8.363 5.219 146 1HB ASN 21 1HB ASN 21 5.669 -5.865 3.978 147 2HB ASN 21 2HB ASN 21 6.300 -6.664 5.420 148 1HD2 ASN 21 1HD2 ASN 21 6.965 -8.212 1.688 149 2HD2 ASN 21 2HD2 ASN 21 5.891 -6.923 1.921 150 1H PHE 1 1H PHE 22 4.936 8.708 3.491 151 2H PHE 1 3H PHE 22 3.619 8.641 4.569 152 3H PHE 1 2H PHE 22 3.651 7.622 3.218 153 HA PHE 1 HA PHE 22 2.602 9.087 2.022 154 1HB PHE 1 2HB PHE 22 1.767 9.826 4.349 155 2HB PHE 1 1HB PHE 22 2.947 11.117 4.261 156 HD1 PHE 1 HD2 PHE 22 1.706 10.590 0.915 157 HD2 PHE 1 HD1 PHE 22 0.603 12.308 4.679 158 HE1 PHE 1 HE2 PHE 22 0.049 11.943 -0.180 159 HE2 PHE 1 HE1 PHE 22 -1.072 13.667 3.524 160 HZ PHE 1 HZ PHE 22 -1.347 13.493 1.100 161 H VAL 2 H VAL 23 3.342 10.164 0.349 162 HA VAL 2 HA VAL 23 5.767 11.895 0.604 163 HB VAL 2 HB VAL 23 6.285 11.089 -1.766 164 1HG1 VAL 2 1HG1 VAL 23 6.078 8.974 0.448 165 2HG1 VAL 2 3HG1 VAL 23 7.138 8.877 -0.956 166 3HG1 VAL 2 2HG1 VAL 23 7.405 10.102 0.271 167 1HG2 VAL 2 1HG2 VAL 23 3.949 10.253 -2.305 168 2HG2 VAL 2 3HG2 VAL 23 5.158 9.000 -2.475 169 3HG2 VAL 2 2HG2 VAL 23 4.129 9.029 -1.058 170 H ASN 3 H ASN 24 6.034 13.320 -1.371 171 HA ASN 3 HA ASN 24 3.431 14.579 -2.158 172 1HB ASN 3 1HB ASN 24 4.736 16.773 -2.058 173 2HB ASN 3 2HB ASN 24 4.585 15.998 -0.489 174 1HD2 ASN 3 1HD2 ASN 24 8.054 15.319 -0.166 175 2HD2 ASN 3 2HD2 ASN 24 6.489 14.989 0.418 176 H GLN 4 H GLN 25 4.006 12.798 -3.898 177 HA GLN 4 HA GLN 25 5.508 14.161 -6.036 178 1HB GLN 4 1HB GLN 25 6.720 12.248 -4.944 179 2HB GLN 4 2HB GLN 25 5.389 11.190 -5.318 180 1HG GLN 4 2HG GLN 25 5.902 11.161 -7.680 181 2HG GLN 4 1HG GLN 25 6.946 12.581 -7.515 182 1HE2 GLN 4 1HE2 GLN 25 9.615 10.288 -7.426 183 2HE2 GLN 4 2HE2 GLN 25 8.834 11.557 -8.237 184 H HIS 5 H HIS 26 4.799 12.386 -8.165 185 HA HIS 5 HA HIS 26 1.864 12.746 -8.436 186 1HB HIS 5 1HB HIS 26 4.134 12.627 -10.488 187 2HB HIS 5 2HB HIS 26 2.442 12.834 -10.903 188 HD1 HIS 5 HD1 HIS 26 1.406 15.153 -9.952 189 HD2 HIS 5 HD2 HIS 26 5.487 14.948 -9.809 190 HE1 HIS 5 HE1 HIS 26 2.204 17.454 -9.622 191 H LEU 6 H LEU 27 2.195 10.632 -7.012 192 HA LEU 6 HA LEU 27 2.869 8.233 -8.600 193 1HB LEU 6 1HB LEU 27 1.931 8.471 -5.732 194 2HB LEU 6 2HB LEU 27 2.504 7.006 -6.481 195 HG LEU 6 HG LEU 27 4.122 9.529 -5.931 196 1HD1 LEU 6 2HD1 LEU 27 3.665 8.086 -3.970 197 2HD1 LEU 6 1HD1 LEU 27 4.282 6.693 -4.849 198 3HD1 LEU 6 3HD1 LEU 27 5.371 7.982 -4.415 199 1HD2 LEU 6 2HD2 LEU 27 5.028 6.927 -7.236 200 2HD2 LEU 6 1HD2 LEU 27 4.911 8.472 -8.062 201 3HD2 LEU 6 3HD2 LEU 27 6.084 8.252 -6.778 202 H CYS 7 H CYS 28 1.105 8.253 -10.143 203 HA CYS 7 HA CYS 28 -1.442 7.324 -8.883 204 1HB CYS 7 1HB CYS 28 -1.627 9.551 -9.794 205 2HB CYS 7 2HB CYS 28 -1.186 8.971 -11.378 206 H GLY 8 H GLY 29 -0.225 5.260 -9.140 207 1HA GLY 8 1HA GLY 29 -0.948 3.155 -9.950 208 2HA GLY 8 2HA GLY 29 -1.352 3.786 -11.483 209 H SER 9 H SER 30 1.101 4.676 -12.625 210 HA SER 9 HA SER 30 2.629 2.586 -13.239 211 1HB SER 9 2HB SER 30 4.376 4.225 -13.848 212 2HB SER 9 1HB SER 30 2.735 4.829 -14.168 213 HG SER 9 HG SER 30 4.568 5.775 -12.414 214 H HIS 10 H HIS 31 3.156 4.472 -10.448 215 HA HIS 10 HA HIS 31 5.579 3.023 -9.640 216 1HB HIS 10 1HB HIS 31 4.242 5.580 -8.681 217 2HB HIS 10 2HB HIS 31 5.719 4.975 -7.987 218 HD1 HIS 10 HD1 HIS 31 6.034 7.564 -9.346 219 HD2 HIS 10 HD2 HIS 31 6.325 4.116 -11.520 220 HE1 HIS 10 HE1 HIS 31 7.270 8.128 -11.406 221 H LEU 11 H LEU 32 2.232 3.395 -8.660 222 HA LEU 11 HA LEU 32 2.720 2.207 -6.043 223 1HB LEU 11 1HB LEU 32 0.054 2.312 -7.595 224 2HB LEU 11 2HB LEU 32 0.278 2.111 -5.879 225 HG LEU 11 HG LEU 32 1.215 4.630 -7.327 226 1HD1 LEU 11 1HD1 LEU 32 -1.395 4.099 -5.867 227 2HD1 LEU 11 3HD1 LEU 32 -0.856 5.651 -6.495 228 3HD1 LEU 11 2HD1 LEU 32 -1.211 4.330 -7.593 229 1HD2 LEU 11 2HD2 LEU 32 0.642 4.051 -4.398 230 2HD2 LEU 11 1HD2 LEU 32 2.245 4.216 -5.099 231 3HD2 LEU 11 3HD2 LEU 32 1.154 5.591 -5.048 232 H VAL 12 H VAL 33 2.209 1.232 -9.305 233 HA VAL 12 HA VAL 33 1.619 -1.567 -8.766 234 HB VAL 12 HB VAL 33 2.262 0.095 -11.251 235 1HG1 VAL 12 2HG1 VAL 33 3.141 -2.259 -11.581 236 2HG1 VAL 12 1HG1 VAL 33 1.565 -2.892 -11.135 237 3HG1 VAL 12 3HG1 VAL 33 1.752 -1.943 -12.602 238 1HG2 VAL 12 2HG2 VAL 33 -0.217 -1.405 -10.311 239 2HG2 VAL 12 1HG2 VAL 33 -0.001 0.333 -10.227 240 3HG2 VAL 12 3HG2 VAL 33 -0.097 -0.454 -11.786 241 H GLU 13 H GLU 34 4.418 0.234 -10.203 242 HA GLU 13 HA GLU 34 6.123 -2.071 -10.191 243 1HB GLU 13 1HB GLU 34 6.470 0.331 -11.232 244 2HB GLU 13 2HB GLU 34 7.357 0.638 -9.740 245 1HG GLU 13 2HG GLU 34 7.915 -1.724 -11.541 246 2HG GLU 13 1HG GLU 34 8.841 -0.233 -11.568 247 H ALA 14 H ALA 35 5.311 0.184 -7.632 248 HA ALA 14 HA ALA 35 7.410 -0.698 -5.809 249 1HB ALA 14 1HB ALA 35 4.895 0.928 -5.263 250 2HB ALA 14 3HB ALA 35 6.223 0.698 -4.132 251 3HB ALA 14 2HB ALA 35 6.494 1.580 -5.617 252 H LEU 15 H LEU 36 3.852 -1.276 -5.888 253 HA LEU 15 HA LEU 36 3.885 -2.924 -3.580 254 1HB LEU 15 1HB LEU 36 1.859 -1.888 -4.340 255 2HB LEU 15 2HB LEU 36 1.894 -2.517 -5.940 256 HG LEU 15 HG LEU 36 1.201 -3.922 -3.330 257 1HD1 LEU 15 1HD1 LEU 36 -0.303 -3.280 -5.911 258 2HD1 LEU 15 3HD1 LEU 36 -0.998 -4.177 -4.590 259 3HD1 LEU 15 2HD1 LEU 36 -0.554 -2.491 -4.366 260 1HD2 LEU 15 2HD2 LEU 36 1.206 -5.223 -6.105 261 2HD2 LEU 15 1HD2 LEU 36 2.293 -5.698 -4.801 262 3HD2 LEU 15 3HD2 LEU 36 0.591 -5.892 -4.610 263 H TYR 16 H TYR 37 4.358 -3.617 -6.969 264 HA TYR 16 HA TYR 37 4.421 -6.443 -6.640 265 1HB TYR 16 1HB TYR 37 5.438 -4.583 -8.828 266 2HB TYR 16 2HB TYR 37 5.481 -6.297 -8.927 267 HD1 TYR 16 HD2 TYR 37 2.554 -4.231 -7.583 268 HD2 TYR 16 HD1 TYR 37 4.085 -6.732 -10.687 269 HE1 TYR 16 HE2 TYR 37 0.356 -4.317 -8.599 270 HE2 TYR 16 HE1 TYR 37 1.846 -6.796 -11.705 271 HH TYR 16 HH TYR 37 -0.963 -5.312 -10.169 272 H LEU 17 H LEU 38 6.922 -3.901 -6.383 273 HA LEU 17 HA LEU 38 9.181 -5.706 -6.358 274 1HB LEU 17 1HB LEU 38 9.431 -3.343 -7.038 275 2HB LEU 17 2HB LEU 38 8.827 -2.763 -5.519 276 HG LEU 17 HG LEU 38 11.350 -2.561 -5.941 277 1HD1 LEU 17 1HD1 LEU 38 10.497 -3.942 -3.369 278 2HD1 LEU 17 3HD1 LEU 38 11.997 -3.081 -3.622 279 3HD1 LEU 17 2HD1 LEU 38 10.469 -2.231 -3.712 280 1HD2 LEU 17 2HD2 LEU 38 11.335 -5.560 -5.424 281 2HD2 LEU 17 1HD2 LEU 38 11.833 -4.753 -6.904 282 3HD2 LEU 17 3HD2 LEU 38 12.758 -4.541 -5.449 283 H VAL 18 H VAL 39 6.905 -4.550 -3.992 284 HA VAL 18 HA VAL 39 8.547 -5.465 -1.727 285 HB VAL 18 HB VAL 39 5.734 -4.299 -1.825 286 1HG1 VAL 18 1HG1 VAL 39 7.696 -4.719 0.480 287 2HG1 VAL 18 3HG1 VAL 39 6.149 -3.907 0.589 288 3HG1 VAL 18 2HG1 VAL 39 6.200 -5.617 0.244 289 1HG2 VAL 18 1HG2 VAL 39 7.558 -2.761 -2.642 290 2HG2 VAL 18 3HG2 VAL 39 6.862 -2.207 -1.135 291 3HG2 VAL 18 2HG2 VAL 39 8.427 -3.015 -1.153 292 H CYS 19 H CYS 40 5.529 -6.483 -3.320 293 HA CYS 19 HA CYS 40 4.941 -8.624 -1.483 294 1HB CYS 19 1HB CYS 40 3.787 -7.518 -3.969 295 2HB CYS 19 2HB CYS 40 3.519 -9.220 -3.703 296 H GLY 20 H GLY 41 6.375 -8.641 -4.791 297 1HA GLY 20 1HA GLY 41 7.862 -10.284 -5.661 298 2HA GLY 20 2HA GLY 41 7.633 -11.233 -4.186 299 H GLU 21 H GLU 42 4.894 -9.893 -5.685 300 HA GLU 21 HA GLU 42 3.003 -10.717 -6.686 301 1HB GLU 21 1HB GLU 42 5.106 -12.505 -8.019 302 2HB GLU 21 2HB GLU 42 3.424 -12.484 -8.503 303 1HG GLU 21 2HG GLU 42 4.831 -10.965 -9.913 304 2HG GLU 21 1HG GLU 42 3.545 -10.102 -9.105 305 H ARG 22 H ARG 43 3.039 -11.328 -4.326 306 HA ARG 22 HA ARG 43 2.179 -14.178 -3.991 307 1HB ARG 22 1HB ARG 43 4.188 -13.546 -2.521 308 2HB ARG 22 2HB ARG 43 3.239 -12.208 -1.889 309 1HG ARG 22 2HG ARG 43 1.520 -13.880 -1.053 310 2HG ARG 22 1HG ARG 43 2.613 -15.166 -1.516 311 1HD ARG 22 2HD ARG 43 4.261 -14.473 0.149 312 2HD ARG 22 1HD ARG 43 3.459 -12.921 0.380 313 HE ARG 22 HE ARG 43 1.519 -14.220 1.338 314 1HH1 ARG 22 1HH1 ARG 43 1.931 -16.945 1.208 315 2HH1 ARG 22 2HH1 ARG 43 2.888 -17.364 2.592 316 1HH2 ARG 22 2HH2 ARG 43 3.934 -14.055 3.094 317 2HH2 ARG 22 1HH2 ARG 43 4.055 -15.668 3.712 318 H GLY 23 H GLY 44 0.159 -14.373 -3.365 319 1HA GLY 23 1HA GLY 44 -2.132 -13.512 -3.663 320 2HA GLY 23 2HA GLY 44 -1.723 -13.594 -1.999 321 H PHE 24 H PHE 45 -1.382 -10.809 -4.485 322 HA PHE 24 HA PHE 45 -2.403 -9.167 -2.264 323 1HB PHE 24 1HB PHE 45 -0.697 -7.450 -3.015 324 2HB PHE 24 2HB PHE 45 0.021 -8.996 -3.054 325 HD1 PHE 24 HD1 PHE 45 -2.041 -7.229 -5.694 326 HD2 PHE 24 HD2 PHE 45 1.642 -9.090 -4.664 327 HE1 PHE 24 HE1 PHE 45 -1.240 -6.878 -7.966 328 HE2 PHE 24 HE2 PHE 45 2.443 -8.735 -6.946 329 HZ PHE 24 HZ PHE 45 1.023 -7.643 -8.605 330 H PHE 25 H PHE 46 -3.412 -6.947 -3.840 331 HA PHE 25 HA PHE 46 -5.221 -8.168 -5.828 332 1HB PHE 25 1HB PHE 46 -7.093 -6.959 -4.693 333 2HB PHE 25 2HB PHE 46 -6.125 -7.700 -3.452 334 HD1 PHE 25 HD2 PHE 46 -6.722 -4.467 -5.196 335 HD2 PHE 25 HD1 PHE 46 -4.844 -6.388 -1.865 336 HE1 PHE 25 HE2 PHE 46 -6.204 -2.289 -4.226 337 HE2 PHE 25 HE1 PHE 46 -4.338 -4.189 -0.913 338 HZ PHE 25 HZ PHE 46 -5.028 -2.145 -2.090 339 H TYR 26 H TYR 47 -5.954 -6.634 -7.361 340 HA TYR 26 HA TYR 47 -6.000 -4.405 -8.391 341 1HB TYR 26 1HB TYR 47 -4.047 -3.499 -6.907 342 2HB TYR 26 2HB TYR 47 -2.949 -4.405 -7.931 343 HD1 TYR 26 HD1 TYR 47 -5.705 -1.850 -8.146 344 HD2 TYR 26 HD2 TYR 47 -2.103 -3.357 -9.870 345 HE1 TYR 26 HE1 TYR 47 -5.669 0.014 -9.713 346 HE2 TYR 26 HE2 TYR 47 -2.097 -1.488 -11.450 347 HH TYR 26 HH TYR 47 -4.740 0.633 -11.857 348 H THR 27 H THR 48 -6.501 -6.460 -9.570 349 HA THR 27 HA THR 48 -4.457 -7.090 -11.684 350 HB THR 27 HB THR 48 -5.409 -9.368 -11.757 351 HG1 THR 27 HG1 THR 48 -7.407 -9.359 -11.088 352 1HG2 THR 27 2HG2 THR 48 -3.694 -8.780 -9.901 353 2HG2 THR 27 1HG2 THR 48 -5.058 -8.458 -8.839 354 3HG2 THR 27 3HG2 THR 48 -4.805 -10.071 -9.468 355 HA PRO 28 HA PRO 49 -8.495 -4.504 -12.714 356 1HB PRO 28 1HB PRO 49 -6.729 -4.239 -15.155 357 2HB PRO 28 2HB PRO 49 -7.997 -3.162 -14.566 358 1HG PRO 28 2HG PRO 49 -5.467 -2.703 -13.829 359 2HG PRO 28 1HG PRO 49 -6.764 -2.481 -12.651 360 1HD PRO 28 1HD PRO 49 -4.716 -4.532 -12.906 361 2HD PRO 28 2HD PRO 49 -5.634 -4.145 -11.404 362 H LYS 29 H LYS 50 -10.054 -5.982 -12.776 363 HA LYS 29 HA LYS 50 -10.325 -7.863 -15.073 364 1HB LYS 29 1HB LYS 50 -10.743 -8.866 -12.873 365 2HB LYS 29 2HB LYS 50 -11.794 -7.542 -12.388 366 1HG LYS 29 2HG LYS 50 -13.426 -8.254 -14.168 367 2HG LYS 29 1HG LYS 50 -12.336 -9.556 -14.617 368 1HD LYS 29 2HD LYS 50 -12.645 -10.630 -12.359 369 2HD LYS 29 1HD LYS 50 -13.729 -9.327 -11.888 370 1HE LYS 29 2HE LYS 50 -15.379 -9.944 -13.518 371 2HE LYS 29 1HE LYS 50 -14.265 -11.004 -14.367 372 1HZ LYS 29 1HZ LYS 50 -14.504 -11.899 -11.708 373 2HZ LYS 29 3HZ LYS 50 -16.057 -11.651 -12.351 374 3HZ LYS 29 2HZ LYS 50 -14.972 -12.660 -13.149 375 H THR 30 H THR 51 -11.237 -7.002 -16.740 376 HA THR 30 HA THR 51 -13.367 -4.925 -16.431 377 HB THR 30 HB THR 51 -11.282 -5.195 -18.683 378 HG1 THR 30 HG1 THR 51 -11.197 -3.023 -17.073 379 1HG2 THR 30 1HG2 THR 51 -13.108 -2.836 -17.929 380 2HG2 THR 30 3HG2 THR 51 -11.960 -2.897 -19.248 381 3HG2 THR 30 2HG2 THR 51 -13.409 -3.880 -19.320 No H/Q in entry = 381 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -7.234 4.861 0.965 2 2H GLY 1 3H GLY 1 -8.856 4.813 1.447 3 3H GLY 1 2H GLY 1 -7.715 5.748 2.291 4 1HA GLY 1 2HA GLY 1 -7.361 4.103 3.682 5 2HA GLY 1 1HA GLY 1 -8.478 3.091 2.770 6 H ILE 2 H ILE 2 -7.533 2.320 0.641 7 HA ILE 2 HA ILE 2 -4.770 1.210 1.026 8 HB ILE 2 HB ILE 2 -6.876 0.077 -0.880 9 1HG1 ILE 2 2HG1 ILE 2 -7.236 -1.699 1.133 10 2HG1 ILE 2 1HG1 ILE 2 -6.596 -0.436 2.143 11 1HG2 ILE 2 2HG2 ILE 2 -4.577 -0.878 -1.029 12 2HG2 ILE 2 1HG2 ILE 2 -4.659 -1.264 0.678 13 3HG2 ILE 2 3HG2 ILE 2 -5.744 -2.039 -0.453 14 1HD1 ILE 2 2HD ILE 2 -8.572 1.028 1.553 15 2HD1 ILE 2 1HD ILE 2 -9.152 -0.234 0.495 16 3HD1 ILE 2 3HD ILE 2 -9.049 -0.507 2.220 17 H VAL 3 H VAL 3 -4.284 0.646 -1.599 18 HA VAL 3 HA VAL 3 -4.255 3.363 -2.864 19 HB VAL 3 HB VAL 3 -2.278 2.449 -4.211 20 1HG1 VAL 3 1HG1 VAL 3 -2.027 2.490 -1.225 21 2HG1 VAL 3 3HG1 VAL 3 -0.734 2.672 -2.383 22 3HG1 VAL 3 2HG1 VAL 3 -1.990 3.882 -2.308 23 1HG2 VAL 3 2HG2 VAL 3 -2.449 0.126 -2.250 24 2HG2 VAL 3 1HG2 VAL 3 -2.754 0.028 -3.960 25 3HG2 VAL 3 3HG2 VAL 3 -1.149 0.443 -3.393 26 H GLU 4 H GLU 4 -3.594 2.953 -5.212 27 HA GLU 4 HA GLU 4 -3.942 2.126 -7.321 28 1HB GLU 4 1HB GLU 4 -6.150 0.450 -6.021 29 2HB GLU 4 2HB GLU 4 -6.445 1.120 -7.556 30 1HG GLU 4 2HG GLU 4 -5.424 -1.146 -7.719 31 2HG GLU 4 1HG GLU 4 -4.371 0.045 -8.454 32 H GLN 5 H GLN 5 -6.519 3.479 -5.433 33 HA GLN 5 HA GLN 5 -7.488 5.089 -7.756 34 1HB GLN 5 1HB GLN 5 -9.198 4.030 -6.256 35 2HB GLN 5 2HB GLN 5 -8.556 4.906 -4.896 36 1HG GLN 5 2HG GLN 5 -9.044 7.091 -6.328 37 2HG GLN 5 1HG GLN 5 -9.959 6.033 -7.373 38 1HE2 GLN 5 1HE2 GLN 5 -12.764 6.001 -5.277 39 2HE2 GLN 5 2HE2 GLN 5 -12.082 5.550 -6.766 40 H CYS 6 H CYS 6 -5.684 6.231 -7.958 41 HA CYS 6 HA CYS 6 -3.894 7.628 -7.286 42 1HB CYS 6 1HB CYS 6 -6.396 9.246 -7.525 43 2HB CYS 6 2HB CYS 6 -4.797 9.893 -7.562 44 H CYS 7 H CYS 7 -3.531 6.942 -5.074 45 HA CYS 7 HA CYS 7 -3.191 7.289 -2.803 46 1HB CYS 7 1HB CYS 7 -1.654 8.922 -4.025 47 2HB CYS 7 2HB CYS 7 -2.860 10.151 -3.739 48 H THR 8 H THR 8 -5.523 7.013 -3.145 49 HA THR 8 HA THR 8 -7.733 8.335 -2.773 50 HB THR 8 HB THR 8 -8.448 6.693 -0.921 51 HG1 THR 8 HG1 THR 8 -6.196 5.297 -0.796 52 1HG2 THR 8 2HG2 THR 8 -8.249 5.981 -3.324 53 2HG2 THR 8 1HG2 THR 8 -6.589 5.466 -3.041 54 3HG2 THR 8 3HG2 THR 8 -7.912 4.669 -2.216 55 H SER 9 H SER 9 -5.721 7.952 0.026 56 HA SER 9 HA SER 9 -6.743 10.495 1.174 57 1HB SER 9 2HB SER 9 -6.546 9.294 3.448 58 2HB SER 9 1HB SER 9 -7.693 8.564 2.337 59 HG SER 9 HG SER 9 -6.051 7.166 1.616 60 H ILE 10 H ILE 10 -4.089 8.389 2.047 61 HA ILE 10 HA ILE 10 -2.190 10.678 1.622 62 HB ILE 10 HB ILE 10 -2.264 9.031 4.202 63 1HG1 ILE 10 2HG1 ILE 10 -3.269 11.876 3.673 64 2HG1 ILE 10 1HG1 ILE 10 -4.286 10.489 3.976 65 1HG2 ILE 10 1HG2 ILE 10 -0.709 11.595 3.538 66 2HG2 ILE 10 3HG2 ILE 10 -0.752 10.824 5.103 67 3HG2 ILE 10 2HG2 ILE 10 0.019 10.014 3.778 68 1HD1 ILE 10 2HD ILE 10 -3.354 10.258 6.258 69 2HD1 ILE 10 1HD ILE 10 -2.354 11.680 5.995 70 3HD1 ILE 10 3HD ILE 10 -4.088 11.830 5.972 71 H CYS 11 H CYS 11 -2.627 7.506 0.862 72 HA CYS 11 HA CYS 11 -1.118 5.656 0.607 73 1HB CYS 11 1HB CYS 11 0.008 6.066 -1.538 74 2HB CYS 11 2HB CYS 11 -1.614 6.668 -1.518 75 H SER 12 H SER 12 0.151 5.682 2.646 76 HA SER 12 HA SER 12 2.854 6.832 2.530 77 1HB SER 12 2HB SER 12 2.850 6.319 5.018 78 2HB SER 12 1HB SER 12 1.345 7.123 4.563 79 HG SER 12 HG SER 12 1.056 4.540 4.057 80 H LEU 13 H LEU 13 4.569 5.684 2.709 81 HA LEU 13 HA LEU 13 5.022 3.355 1.346 82 1HB LEU 13 1HB LEU 13 6.921 3.600 3.634 83 2HB LEU 13 2HB LEU 13 7.198 3.471 1.940 84 HG LEU 13 HG LEU 13 6.342 5.976 1.816 85 1HD1 LEU 13 1HD1 LEU 13 7.180 5.743 4.743 86 2HD1 LEU 13 3HD1 LEU 13 6.890 7.248 3.887 87 3HD1 LEU 13 2HD1 LEU 13 5.565 6.139 4.204 88 1HD2 LEU 13 2HD2 LEU 13 9.036 5.270 3.064 89 2HD2 LEU 13 1HD2 LEU 13 8.704 5.277 1.342 90 3HD2 LEU 13 3HD2 LEU 13 8.675 6.776 2.235 91 H TYR 14 H TYR 14 4.222 3.335 4.751 92 HA TYR 14 HA TYR 14 4.867 0.473 4.979 93 1HB TYR 14 1HB TYR 14 4.782 2.194 6.964 94 2HB TYR 14 2HB TYR 14 3.050 1.966 6.962 95 HD1 TYR 14 HD1 TYR 14 6.278 0.317 7.553 96 HD2 TYR 14 HD2 TYR 14 2.043 -0.199 7.606 97 HE1 TYR 14 HE1 TYR 14 6.534 -1.744 8.839 98 HE2 TYR 14 HE2 TYR 14 2.295 -2.242 8.877 99 HH TYR 14 HH TYR 14 3.867 -3.449 10.234 100 H GLN 15 H GLN 15 2.087 2.486 4.219 101 HA GLN 15 HA GLN 15 0.066 0.487 4.473 102 1HB GLN 15 1HB GLN 15 -0.214 3.069 4.060 103 2HB GLN 15 2HB GLN 15 0.085 2.735 2.360 104 1HG GLN 15 2HG GLN 15 -1.829 1.161 2.330 105 2HG GLN 15 1HG GLN 15 -2.245 1.708 3.952 106 1HE2 GLN 15 1HE2 GLN 15 -3.286 3.948 0.809 107 2HE2 GLN 15 2HE2 GLN 15 -2.783 2.318 0.723 108 H LEU 16 H LEU 16 2.581 1.240 2.096 109 HA LEU 16 HA LEU 16 1.521 -0.557 0.050 110 1HB LEU 16 1HB LEU 16 2.994 1.558 -0.274 111 2HB LEU 16 2HB LEU 16 4.387 0.652 0.219 112 HG LEU 16 HG LEU 16 3.911 -1.000 -1.594 113 1HD1 LEU 16 1HD1 LEU 16 1.948 1.200 -2.493 114 2HD1 LEU 16 3HD1 LEU 16 2.417 -0.164 -3.488 115 3HD1 LEU 16 2HD1 LEU 16 1.486 -0.428 -2.043 116 1HD2 LEU 16 1HD2 LEU 16 5.592 0.873 -1.809 117 2HD2 LEU 16 3HD2 LEU 16 4.846 0.515 -3.352 118 3HD2 LEU 16 2HD2 LEU 16 4.323 1.915 -2.438 119 H GLU 17 H GLU 17 3.796 -0.718 2.727 120 HA GLU 17 HA GLU 17 4.746 -3.378 2.051 121 1HB GLU 17 1HB GLU 17 4.867 -1.865 4.689 122 2HB GLU 17 2HB GLU 17 5.775 -3.321 4.313 123 1HG GLU 17 2HG GLU 17 7.056 -2.165 2.578 124 2HG GLU 17 1HG GLU 17 6.077 -0.723 2.749 125 H ASN 18 H ASN 18 1.874 -2.176 3.499 126 HA ASN 18 HA ASN 18 1.527 -4.595 5.145 127 1HB ASN 18 1HB ASN 18 0.519 -2.215 5.662 128 2HB ASN 18 2HB ASN 18 -0.753 -2.688 4.543 129 1HD2 ASN 18 1HD2 ASN 18 -2.342 -4.625 7.007 130 2HD2 ASN 18 2HD2 ASN 18 -2.477 -3.703 5.588 131 H TYR 19 H TYR 19 1.707 -4.368 2.076 132 HA TYR 19 HA TYR 19 -0.694 -6.011 1.349 133 1HB TYR 19 1HB TYR 19 1.335 -4.606 -0.444 134 2HB TYR 19 2HB TYR 19 -0.145 -5.392 -0.973 135 HD1 TYR 19 HD2 TYR 19 -1.824 -4.131 1.499 136 HD2 TYR 19 HD1 TYR 19 0.717 -2.532 -1.529 137 HE1 TYR 19 HE2 TYR 19 -2.985 -2.007 1.634 138 HE2 TYR 19 HE1 TYR 19 -0.478 -0.399 -1.385 139 HH TYR 19 HH TYR 19 -1.894 0.769 -0.346 140 H CYS 20 H CYS 20 2.329 -6.365 2.466 141 HA CYS 20 HA CYS 20 2.993 -8.735 0.788 142 1HB CYS 20 1HB CYS 20 4.936 -7.305 2.640 143 2HB CYS 20 2HB CYS 20 5.235 -8.255 1.232 144 H ASN 21 H ASN 21 2.376 -7.545 4.058 145 HA ASN 21 HA ASN 21 2.270 -10.358 5.032 146 1HB ASN 21 1HB ASN 21 3.161 -9.587 7.213 147 2HB ASN 21 2HB ASN 21 4.333 -9.282 5.943 148 1HD2 ASN 21 1HD2 ASN 21 2.763 -5.684 6.520 149 2HD2 ASN 21 2HD2 ASN 21 2.018 -6.855 5.544 150 1H PHE 1 1H PHE 22 6.460 9.351 3.716 151 2H PHE 1 3H PHE 22 6.432 9.410 5.411 152 3H PHE 1 2H PHE 22 5.359 8.387 4.583 153 HA PHE 1 HA PHE 22 3.870 9.963 4.455 154 1HB PHE 1 2HB PHE 22 4.635 10.723 6.618 155 2HB PHE 1 1HB PHE 22 6.006 11.586 5.931 156 HD1 PHE 1 HD2 PHE 22 2.262 11.466 5.361 157 HD2 PHE 1 HD1 PHE 22 5.735 13.888 5.876 158 HE1 PHE 1 HE2 PHE 22 0.891 13.486 5.128 159 HE2 PHE 1 HE1 PHE 22 4.361 15.904 5.639 160 HZ PHE 1 HZ PHE 22 1.928 15.712 5.269 161 H VAL 2 H VAL 23 3.741 10.153 2.237 162 HA VAL 2 HA VAL 23 5.134 12.505 0.994 163 HB VAL 2 HB VAL 23 4.976 11.274 -1.173 164 1HG1 VAL 2 1HG1 VAL 23 6.408 9.738 1.046 165 2HG1 VAL 2 3HG1 VAL 23 6.764 9.613 -0.673 166 3HG1 VAL 2 2HG1 VAL 23 7.035 11.127 0.171 167 1HG2 VAL 2 2HG2 VAL 23 3.977 8.935 0.526 168 2HG2 VAL 2 1HG2 VAL 23 3.029 9.808 -0.664 169 3HG2 VAL 2 3HG2 VAL 23 4.388 8.843 -1.177 170 H ASN 3 H ASN 24 3.917 13.605 -0.632 171 HA ASN 3 HA ASN 24 0.943 13.243 -0.562 172 1HB ASN 3 1HB ASN 24 1.833 14.895 1.176 173 2HB ASN 3 2HB ASN 24 2.416 15.893 -0.137 174 1HD2 ASN 3 1HD2 ASN 24 -1.545 15.893 -0.672 175 2HD2 ASN 3 2HD2 ASN 24 -0.543 14.643 -1.225 176 H GLN 4 H GLN 25 2.691 12.406 -2.446 177 HA GLN 4 HA GLN 25 2.617 14.283 -4.792 178 1HB GLN 4 1HB GLN 25 4.773 13.504 -4.267 179 2HB GLN 4 2HB GLN 25 4.272 11.840 -4.066 180 1HG GLN 4 2HG GLN 25 3.949 11.680 -6.575 181 2HG GLN 4 1HG GLN 25 4.380 13.365 -6.731 182 1HE2 GLN 4 1HE2 GLN 25 7.755 12.353 -7.005 183 2HE2 GLN 4 2HE2 GLN 25 6.516 13.368 -7.558 184 H HIS 5 H HIS 26 0.039 13.200 -4.093 185 HA HIS 5 HA HIS 26 -1.199 11.089 -4.594 186 1HB HIS 5 1HB HIS 26 -1.771 13.631 -6.192 187 2HB HIS 5 2HB HIS 26 -2.879 12.278 -6.081 188 HD1 HIS 5 HD1 HIS 26 -4.523 13.767 -4.808 189 HD2 HIS 5 HD2 HIS 26 -1.042 13.300 -2.727 190 HE1 HIS 5 HE1 HIS 26 -4.953 14.574 -2.497 191 H LEU 6 H LEU 27 0.159 9.836 -5.364 192 HA LEU 6 HA LEU 27 0.832 9.499 -8.225 193 1HB LEU 6 1HB LEU 27 0.911 7.294 -6.082 194 2HB LEU 6 2HB LEU 27 1.739 7.284 -7.613 195 HG LEU 6 HG LEU 27 2.829 9.524 -6.579 196 1HD1 LEU 6 2HD1 LEU 27 1.513 9.337 -4.396 197 2HD1 LEU 6 1HD1 LEU 27 2.203 7.747 -4.162 198 3HD1 LEU 6 3HD1 LEU 27 3.234 9.166 -4.130 199 1HD2 LEU 6 1HD2 LEU 27 4.083 7.514 -7.353 200 2HD2 LEU 6 3HD2 LEU 27 4.730 8.137 -5.847 201 3HD2 LEU 6 2HD2 LEU 27 3.710 6.700 -5.836 202 H CYS 7 H CYS 28 -0.227 8.097 -9.717 203 HA CYS 7 HA CYS 28 -2.910 7.153 -8.813 204 1HB CYS 7 1HB CYS 28 -1.940 8.238 -11.435 205 2HB CYS 7 2HB CYS 28 -3.455 7.392 -11.325 206 H GLY 8 H GLY 29 -3.644 5.341 -9.151 207 1HA GLY 8 1HA GLY 29 -2.978 3.032 -8.848 208 2HA GLY 8 2HA GLY 29 -3.954 3.186 -10.253 209 H SER 9 H SER 30 -1.988 3.731 -12.298 210 HA SER 9 HA SER 30 -0.758 1.289 -12.714 211 1HB SER 9 2HB SER 30 -0.121 4.063 -13.809 212 2HB SER 9 1HB SER 30 0.594 2.582 -14.471 213 HG SER 9 HG SER 30 -1.910 3.543 -14.733 214 H HIS 10 H HIS 31 0.619 3.865 -10.896 215 HA HIS 10 HA HIS 31 3.279 2.571 -10.804 216 1HB HIS 10 1HB HIS 31 2.353 5.257 -9.702 217 2HB HIS 10 2HB HIS 31 4.027 4.697 -9.851 218 HD1 HIS 10 HD1 HIS 31 1.061 5.175 -12.080 219 HD2 HIS 10 HD2 HIS 31 5.133 5.239 -12.413 220 HE1 HIS 10 HE1 HIS 31 1.563 5.824 -14.430 221 H LEU 11 H LEU 32 0.389 3.017 -8.945 222 HA LEU 11 HA LEU 32 1.671 2.273 -6.393 223 1HB LEU 11 1HB LEU 32 -1.308 2.304 -7.197 224 2HB LEU 11 2HB LEU 32 -0.709 1.875 -5.620 225 HG LEU 11 HG LEU 32 -1.547 4.204 -5.683 226 1HD1 LEU 11 2HD1 LEU 32 0.278 3.745 -4.089 227 2HD1 LEU 11 1HD1 LEU 32 1.487 4.145 -5.305 228 3HD1 LEU 11 3HD1 LEU 32 0.384 5.375 -4.717 229 1HD2 LEU 11 1HD2 LEU 32 -1.094 4.652 -8.020 230 2HD2 LEU 11 3HD2 LEU 32 -0.444 5.907 -6.978 231 3HD2 LEU 11 2HD2 LEU 32 0.630 4.756 -7.722 232 H VAL 12 H VAL 33 0.272 0.817 -9.236 233 HA VAL 12 HA VAL 33 0.034 -1.834 -8.042 234 HB VAL 12 HB VAL 33 -1.138 -0.574 -10.205 235 1HG1 VAL 12 1HG1 VAL 33 0.637 -2.743 -11.395 236 2HG1 VAL 12 3HG1 VAL 33 -0.708 -1.972 -12.207 237 3HG1 VAL 12 2HG1 VAL 33 0.718 -1.036 -11.792 238 1HG2 VAL 12 2HG2 VAL 33 -0.963 -3.533 -9.529 239 2HG2 VAL 12 1HG2 VAL 33 -2.085 -2.376 -8.827 240 3HG2 VAL 12 3HG2 VAL 33 -2.219 -2.805 -10.532 241 H GLU 13 H GLU 34 2.246 -0.187 -10.409 242 HA GLU 13 HA GLU 34 3.906 -2.470 -10.802 243 1HB GLU 13 1HB GLU 34 4.004 -0.068 -11.951 244 2HB GLU 13 2HB GLU 34 5.280 0.241 -10.787 245 1HG GLU 13 2HG GLU 34 5.226 -1.962 -12.874 246 2HG GLU 13 1HG GLU 34 6.358 -0.640 -12.751 247 H ALA 14 H ALA 35 3.762 0.023 -8.290 248 HA ALA 14 HA ALA 35 6.165 -0.697 -6.916 249 1HB ALA 14 2HB ALA 35 5.208 1.537 -6.864 250 2HB ALA 14 1HB ALA 35 3.752 0.940 -6.072 251 3HB ALA 14 3HB ALA 35 5.305 0.908 -5.245 252 H LEU 15 H LEU 36 2.710 -1.325 -6.094 253 HA LEU 15 HA LEU 36 3.468 -2.816 -3.772 254 1HB LEU 15 1HB LEU 36 1.213 -2.023 -3.795 255 2HB LEU 15 2HB LEU 36 0.840 -2.526 -5.360 256 HG LEU 15 HG LEU 36 0.996 -4.289 -2.888 257 1HD1 LEU 15 2HD1 LEU 36 -1.021 -2.719 -3.099 258 2HD1 LEU 15 1HD1 LEU 36 -1.342 -3.391 -4.685 259 3HD1 LEU 15 3HD1 LEU 36 -1.486 -4.385 -3.239 260 1HD2 LEU 15 2HD2 LEU 36 0.104 -5.056 -5.711 261 2HD2 LEU 15 1HD2 LEU 36 1.489 -5.741 -4.887 262 3HD2 LEU 15 3HD2 LEU 36 -0.099 -6.033 -4.259 263 H TYR 16 H TYR 37 2.895 -3.828 -7.046 264 HA TYR 16 HA TYR 37 2.880 -6.573 -6.816 265 1HB TYR 16 1HB TYR 37 3.654 -4.682 -8.958 266 2HB TYR 16 2HB TYR 37 4.468 -6.206 -9.122 267 HD1 TYR 16 HD1 TYR 37 2.401 -8.227 -8.619 268 HD2 TYR 16 HD2 TYR 37 2.078 -4.421 -10.488 269 HE1 TYR 16 HE1 TYR 37 0.465 -9.017 -9.901 270 HE2 TYR 16 HE2 TYR 37 0.149 -5.205 -11.772 271 HH TYR 16 HH TYR 37 -1.099 -6.945 -12.325 272 H LEU 17 H LEU 38 5.664 -4.326 -6.887 273 HA LEU 17 HA LEU 38 7.536 -6.623 -6.519 274 1HB LEU 17 1HB LEU 38 8.277 -5.142 -8.182 275 2HB LEU 17 2HB LEU 38 8.024 -3.701 -7.258 276 HG LEU 17 HG LEU 38 10.424 -4.378 -7.616 277 1HD1 LEU 17 2HD1 LEU 38 9.924 -2.815 -5.784 278 2HD1 LEU 17 1HD1 LEU 38 9.684 -4.120 -4.651 279 3HD1 LEU 17 3HD1 LEU 38 11.256 -3.845 -5.350 280 1HD2 LEU 17 2HD2 LEU 38 9.832 -6.729 -5.766 281 2HD2 LEU 17 1HD2 LEU 38 10.327 -6.787 -7.432 282 3HD2 LEU 17 3HD2 LEU 38 11.422 -6.175 -6.203 283 H VAL 18 H VAL 39 6.687 -3.638 -4.639 284 HA VAL 18 HA VAL 39 8.592 -3.769 -2.670 285 HB VAL 18 HB VAL 39 5.648 -2.953 -2.578 286 1HG1 VAL 18 1HG1 VAL 39 7.729 -2.552 -0.359 287 2HG1 VAL 18 3HG1 VAL 39 6.116 -1.847 -0.383 288 3HG1 VAL 18 2HG1 VAL 39 6.312 -3.579 -0.229 289 1HG2 VAL 18 2HG2 VAL 39 8.280 -1.403 -2.500 290 2HG2 VAL 18 1HG2 VAL 39 7.264 -1.552 -3.915 291 3HG2 VAL 18 3HG2 VAL 39 6.692 -0.687 -2.516 292 H CYS 19 H CYS 40 5.937 -5.848 -3.229 293 HA CYS 19 HA CYS 40 6.229 -7.165 -0.621 294 1HB CYS 19 1HB CYS 40 4.354 -7.356 -2.924 295 2HB CYS 19 2HB CYS 40 4.310 -8.548 -1.637 296 H GLY 20 H GLY 41 7.008 -8.037 -4.014 297 1HA GLY 20 1HA GLY 41 8.545 -9.634 -4.651 298 2HA GLY 20 2HA GLY 41 8.783 -10.135 -2.988 299 H GLU 21 H GLU 42 6.048 -10.823 -2.295 300 HA GLU 21 HA GLU 42 5.092 -12.655 -4.380 301 1HB GLU 21 1HB GLU 42 5.391 -14.648 -2.957 302 2HB GLU 21 2HB GLU 42 6.850 -13.743 -2.693 303 1HG GLU 21 2HG GLU 42 4.448 -13.844 -0.845 304 2HG GLU 21 1HG GLU 42 6.034 -14.486 -0.536 305 H ARG 22 H ARG 43 4.277 -10.284 -3.196 306 HA ARG 22 HA ARG 43 2.417 -9.762 -1.441 307 1HB ARG 22 1HB ARG 43 1.714 -8.018 -2.877 308 2HB ARG 22 2HB ARG 43 3.108 -8.631 -3.692 309 1HG ARG 22 2HG ARG 43 0.386 -9.643 -4.459 310 2HG ARG 22 1HG ARG 43 1.191 -8.279 -5.216 311 1HD ARG 22 2HD ARG 43 3.174 -9.776 -5.736 312 2HD ARG 22 1HD ARG 43 2.298 -11.129 -5.048 313 HE ARG 22 HE ARG 43 1.105 -9.602 -7.304 314 1HH1 ARG 22 2HH2 ARG 43 0.383 -12.314 -5.704 315 2HH1 ARG 22 1HH2 ARG 43 0.591 -13.401 -7.039 316 1HH2 ARG 22 2HH1 ARG 43 2.241 -11.054 -9.013 317 2HH2 ARG 22 1HH1 ARG 43 1.705 -12.699 -8.924 318 H GLY 23 H GLY 44 0.224 -9.736 -1.010 319 1HA GLY 23 1HA GLY 44 -1.325 -12.141 -1.935 320 2HA GLY 23 2HA GLY 44 -1.430 -11.397 -0.368 321 H PHE 24 H PHE 45 -1.839 -9.919 -3.767 322 HA PHE 24 HA PHE 45 -4.350 -8.849 -2.696 323 1HB PHE 24 1HB PHE 45 -3.726 -6.655 -3.537 324 2HB PHE 24 2HB PHE 45 -2.192 -7.318 -3.105 325 HD1 PHE 24 HD2 PHE 45 -1.437 -9.073 -5.404 326 HD2 PHE 24 HD1 PHE 45 -3.334 -5.249 -5.311 327 HE1 PHE 24 HE2 PHE 45 -0.527 -8.543 -7.622 328 HE2 PHE 24 HE1 PHE 45 -2.423 -4.739 -7.512 329 HZ PHE 24 HZ PHE 45 -0.999 -6.387 -8.673 330 H PHE 25 H PHE 46 -5.670 -8.187 -5.119 331 HA PHE 25 HA PHE 46 -5.169 -10.363 -7.073 332 1HB PHE 25 1HB PHE 46 -7.975 -9.342 -6.389 333 2HB PHE 25 2HB PHE 46 -7.535 -10.711 -7.368 334 HD1 PHE 25 HD2 PHE 46 -6.591 -12.802 -6.157 335 HD2 PHE 25 HD1 PHE 46 -8.486 -9.589 -4.124 336 HE1 PHE 25 HE2 PHE 46 -7.028 -14.276 -4.223 337 HE2 PHE 25 HE1 PHE 46 -8.916 -11.049 -2.193 338 HZ PHE 25 HZ PHE 46 -8.185 -13.405 -2.246 339 H TYR 26 H TYR 47 -4.990 -9.405 -9.114 340 HA TYR 26 HA TYR 47 -6.404 -6.853 -9.554 341 1HB TYR 26 1HB TYR 47 -3.931 -6.528 -8.688 342 2HB TYR 26 2HB TYR 47 -3.475 -6.938 -10.352 343 HD1 TYR 26 HD1 TYR 47 -5.861 -4.829 -8.389 344 HD2 TYR 26 HD2 TYR 47 -3.685 -5.167 -12.038 345 HE1 TYR 26 HE1 TYR 47 -6.641 -2.613 -9.052 346 HE2 TYR 26 HE2 TYR 47 -4.479 -2.932 -12.692 347 HH TYR 26 HH TYR 47 -5.749 -1.159 -12.147 348 H THR 27 H THR 48 -7.308 -8.824 -10.518 349 HA THR 27 HA THR 48 -6.481 -9.144 -13.398 350 HB THR 27 HB THR 48 -7.619 -11.375 -13.220 351 HG1 THR 27 HG1 THR 48 -8.722 -11.562 -11.442 352 1HG2 THR 27 1HG2 THR 48 -5.416 -10.819 -11.121 353 2HG2 THR 27 3HG2 THR 48 -5.748 -12.383 -11.848 354 3HG2 THR 27 2HG2 THR 48 -5.067 -11.090 -12.809 355 HA PRO 28 HA PRO 49 -10.506 -6.504 -12.570 356 1HB PRO 28 1HB PRO 49 -9.574 -5.787 -15.341 357 2HB PRO 28 2HB PRO 49 -10.564 -4.823 -14.225 358 1HG PRO 28 2HG PRO 49 -7.973 -4.364 -14.054 359 2HG PRO 28 1HG PRO 49 -8.759 -4.774 -12.528 360 1HD PRO 28 1HD PRO 49 -7.194 -6.507 -14.386 361 2HD PRO 28 2HD PRO 49 -7.078 -6.382 -12.587 362 H LYS 29 H LYS 50 -12.688 -6.724 -13.329 363 HA LYS 29 HA LYS 50 -13.159 -8.980 -15.234 364 1HB LYS 29 1HB LYS 50 -14.810 -8.162 -12.838 365 2HB LYS 29 2HB LYS 50 -15.246 -9.447 -13.937 366 1HG LYS 29 2HG LYS 50 -12.846 -9.435 -12.085 367 2HG LYS 29 1HG LYS 50 -14.307 -10.398 -11.978 368 1HD LYS 29 2HD LYS 50 -13.787 -11.492 -14.152 369 2HD LYS 29 1HD LYS 50 -12.264 -10.613 -14.229 370 1HE LYS 29 2HE LYS 50 -11.622 -11.606 -12.014 371 2HE LYS 29 1HE LYS 50 -13.090 -12.571 -12.077 372 1HZ LYS 29 1HZ LYS 50 -11.760 -12.856 -14.505 373 2HZ LYS 29 3HZ LYS 50 -10.626 -13.076 -13.264 374 3HZ LYS 29 2HZ LYS 50 -12.027 -14.026 -13.304 375 H THR 30 H THR 51 -13.097 -6.880 -16.678 376 HA THR 30 HA THR 51 -15.929 -5.947 -17.064 377 HB THR 30 HB THR 51 -13.242 -4.608 -17.582 378 HG1 THR 30 HG1 THR 51 -14.080 -3.662 -15.905 379 1HG2 THR 30 1HG2 THR 51 -15.981 -3.771 -18.728 380 2HG2 THR 30 3HG2 THR 51 -14.482 -2.862 -18.897 381 3HG2 THR 30 2HG2 THR 51 -14.667 -4.387 -19.728 No H/Q in entry = 381 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -10.308 -2.873 4.246 2 2H GLY 1 3H GLY 1 -10.187 -4.472 3.678 3 3H GLY 1 2H GLY 1 -9.301 -3.983 5.044 4 1HA GLY 1 2HA GLY 1 -7.593 -3.415 3.743 5 2HA GLY 1 1HA GLY 1 -8.542 -3.962 2.357 6 H ILE 2 H ILE 2 -6.879 -1.959 1.847 7 HA ILE 2 HA ILE 2 -8.654 0.434 1.666 8 HB ILE 2 HB ILE 2 -5.687 0.877 1.427 9 1HG1 ILE 2 2HG1 ILE 2 -5.735 -0.648 3.454 10 2HG1 ILE 2 1HG1 ILE 2 -5.134 0.963 3.732 11 1HG2 ILE 2 1HG2 ILE 2 -7.948 2.310 2.873 12 2HG2 ILE 2 3HG2 ILE 2 -6.320 2.954 2.677 13 3HG2 ILE 2 2HG2 ILE 2 -7.358 2.749 1.288 14 1HD1 ILE 2 1HD ILE 2 -7.938 0.056 4.492 15 2HD1 ILE 2 3HD ILE 2 -6.549 0.207 5.549 16 3HD1 ILE 2 2HD ILE 2 -7.246 1.640 4.804 17 H VAL 3 H VAL 3 -7.518 1.882 -0.248 18 HA VAL 3 HA VAL 3 -7.170 -0.004 -2.548 19 HB VAL 3 HB VAL 3 -8.215 1.706 -3.982 20 1HG1 VAL 3 2HG1 VAL 3 -9.573 -0.068 -3.013 21 2HG1 VAL 3 1HG1 VAL 3 -9.897 0.911 -1.594 22 3HG1 VAL 3 3HG1 VAL 3 -10.493 1.415 -3.176 23 1HG2 VAL 3 1HG2 VAL 3 -7.609 3.706 -2.608 24 2HG2 VAL 3 3HG2 VAL 3 -9.332 3.661 -2.961 25 3HG2 VAL 3 2HG2 VAL 3 -8.732 3.199 -1.367 26 H GLU 4 H GLU 4 -6.402 1.090 -4.461 27 HA GLU 4 HA GLU 4 -3.963 2.703 -3.968 28 1HB GLU 4 1HB GLU 4 -4.467 0.060 -5.262 29 2HB GLU 4 2HB GLU 4 -3.473 1.145 -6.195 30 1HG GLU 4 2HG GLU 4 -2.256 -0.457 -4.584 31 2HG GLU 4 1HG GLU 4 -1.771 1.206 -4.492 32 H GLN 5 H GLN 5 -5.638 4.369 -4.330 33 HA GLN 5 HA GLN 5 -5.683 5.091 -7.220 34 1HB GLN 5 1HB GLN 5 -7.906 4.179 -6.561 35 2HB GLN 5 2HB GLN 5 -7.999 5.337 -5.256 36 1HG GLN 5 2HG GLN 5 -9.301 5.936 -7.363 37 2HG GLN 5 1HG GLN 5 -8.234 7.192 -6.766 38 1HE2 GLN 5 1HE2 GLN 5 -6.745 7.424 -9.938 39 2HE2 GLN 5 2HE2 GLN 5 -7.325 8.202 -8.545 40 H CYS 6 H CYS 6 -5.536 7.232 -7.658 41 HA CYS 6 HA CYS 6 -4.020 9.090 -7.147 42 1HB CYS 6 1HB CYS 6 -6.942 9.413 -6.994 43 2HB CYS 6 2HB CYS 6 -5.972 10.823 -6.757 44 H CYS 7 H CYS 7 -3.262 8.031 -5.021 45 HA CYS 7 HA CYS 7 -2.787 8.099 -2.726 46 1HB CYS 7 1HB CYS 7 -1.068 9.414 -3.921 47 2HB CYS 7 2HB CYS 7 -2.075 10.838 -3.826 48 H THR 8 H THR 8 -5.255 8.375 -3.016 49 HA THR 8 HA THR 8 -7.106 10.055 -2.317 50 HB THR 8 HB THR 8 -7.892 7.914 -1.801 51 HG1 THR 8 HG1 THR 8 -7.632 9.450 0.481 52 1HG2 THR 8 1HG2 THR 8 -5.503 7.464 0.021 53 2HG2 THR 8 3HG2 THR 8 -6.762 6.287 -0.361 54 3HG2 THR 8 2HG2 THR 8 -5.662 6.824 -1.611 55 H SER 9 H SER 9 -4.966 9.244 0.478 56 HA SER 9 HA SER 9 -5.035 12.087 1.196 57 1HB SER 9 2HB SER 9 -6.215 9.959 3.062 58 2HB SER 9 1HB SER 9 -5.871 11.640 3.519 59 HG SER 9 HG SER 9 -7.512 10.580 1.511 60 H ILE 10 H ILE 10 -3.569 9.049 2.087 61 HA ILE 10 HA ILE 10 -1.149 10.503 2.928 62 HB ILE 10 HB ILE 10 -2.405 8.448 4.807 63 1HG1 ILE 10 2HG1 ILE 10 -2.464 11.501 5.003 64 2HG1 ILE 10 1HG1 ILE 10 -3.858 10.481 4.709 65 1HG2 ILE 10 1HG2 ILE 10 -0.149 10.511 5.158 66 2HG2 ILE 10 3HG2 ILE 10 -0.683 9.410 6.411 67 3HG2 ILE 10 2HG2 ILE 10 0.107 8.784 4.992 68 1HD1 ILE 10 2HD ILE 10 -3.590 9.429 6.934 69 2HD1 ILE 10 1HD ILE 10 -2.218 10.488 7.262 70 3HD1 ILE 10 3HD ILE 10 -3.822 11.168 7.030 71 H CYS 11 H CYS 11 -1.090 9.262 0.773 72 HA CYS 11 HA CYS 11 -0.572 6.455 0.697 73 1HB CYS 11 1HB CYS 11 0.487 6.859 -1.468 74 2HB CYS 11 2HB CYS 11 -1.080 7.600 -1.304 75 H SER 12 H SER 12 0.851 5.574 1.991 76 HA SER 12 HA SER 12 3.744 6.298 1.816 77 1HB SER 12 2HB SER 12 3.897 6.164 4.235 78 2HB SER 12 1HB SER 12 2.174 6.462 4.154 79 HG SER 12 HG SER 12 3.422 4.249 4.905 80 H LEU 13 H LEU 13 4.913 4.031 2.476 81 HA LEU 13 HA LEU 13 3.630 1.955 0.773 82 1HB LEU 13 1HB LEU 13 6.503 2.147 1.678 83 2HB LEU 13 2HB LEU 13 5.877 0.956 0.565 84 HG LEU 13 HG LEU 13 5.802 3.963 -0.057 85 1HD1 LEU 13 2HD1 LEU 13 8.171 3.174 0.051 86 2HD1 LEU 13 1HD1 LEU 13 7.790 1.865 -1.060 87 3HD1 LEU 13 3HD1 LEU 13 7.695 3.533 -1.603 88 1HD2 LEU 13 2HD2 LEU 13 5.439 1.552 -1.895 89 2HD2 LEU 13 1HD2 LEU 13 4.154 2.632 -1.383 90 3HD2 LEU 13 3HD2 LEU 13 5.427 3.218 -2.425 91 H TYR 14 H TYR 14 4.531 2.650 4.016 92 HA TYR 14 HA TYR 14 4.818 -0.047 4.993 93 1HB TYR 14 1HB TYR 14 5.608 1.812 6.388 94 2HB TYR 14 2HB TYR 14 4.002 2.454 6.630 95 HD1 TYR 14 HD2 TYR 14 6.277 -0.309 7.397 96 HD2 TYR 14 HD1 TYR 14 2.381 1.258 8.108 97 HE1 TYR 14 HE2 TYR 14 5.988 -1.870 9.240 98 HE2 TYR 14 HE1 TYR 14 2.082 -0.302 9.963 99 HH TYR 14 HH TYR 14 4.557 -2.703 10.782 100 H GLN 15 H GLN 15 2.118 2.109 4.419 101 HA GLN 15 HA GLN 15 0.078 0.577 5.724 102 1HB GLN 15 1HB GLN 15 -0.100 3.001 5.087 103 2HB GLN 15 2HB GLN 15 -0.051 2.592 3.398 104 1HG GLN 15 2HG GLN 15 -2.205 1.439 5.191 105 2HG GLN 15 1HG GLN 15 -2.368 3.038 4.506 106 1HE2 GLN 15 1HE2 GLN 15 -3.302 -0.083 2.201 107 2HE2 GLN 15 2HE2 GLN 15 -3.012 -0.225 3.872 108 H LEU 16 H LEU 16 1.755 0.346 2.646 109 HA LEU 16 HA LEU 16 -0.173 -1.408 1.380 110 1HB LEU 16 1HB LEU 16 2.775 -1.159 0.745 111 2HB LEU 16 2HB LEU 16 1.506 -1.655 -0.330 112 HG LEU 16 HG LEU 16 1.822 1.139 0.837 113 1HD1 LEU 16 2HD1 LEU 16 3.385 0.571 -1.027 114 2HD1 LEU 16 1HD1 LEU 16 2.023 0.072 -2.007 115 3HD1 LEU 16 3HD1 LEU 16 2.188 1.748 -1.570 116 1HD2 LEU 16 2HD2 LEU 16 -0.327 0.119 -1.037 117 2HD2 LEU 16 1HD2 LEU 16 -0.577 0.629 0.621 118 3HD2 LEU 16 3HD2 LEU 16 -0.076 1.801 -0.576 119 H GLU 17 H GLU 17 2.362 -1.787 3.666 120 HA GLU 17 HA GLU 17 2.895 -4.609 3.180 121 1HB GLU 17 1HB GLU 17 3.240 -3.187 5.851 122 2HB GLU 17 2HB GLU 17 4.072 -4.614 5.269 123 1HG GLU 17 2HG GLU 17 4.351 -1.822 4.096 124 2HG GLU 17 1HG GLU 17 5.561 -2.670 5.035 125 H ASN 18 H ASN 18 0.271 -2.975 4.458 126 HA ASN 18 HA ASN 18 -0.686 -4.834 6.409 127 1HB ASN 18 1HB ASN 18 -2.246 -2.884 4.633 128 2HB ASN 18 2HB ASN 18 -2.820 -3.621 6.128 129 1HD2 ASN 18 1HD2 ASN 18 0.131 -1.531 7.599 130 2HD2 ASN 18 2HD2 ASN 18 0.261 -3.118 7.015 131 H TYR 19 H TYR 19 -0.663 -4.879 2.986 132 HA TYR 19 HA TYR 19 -2.685 -7.046 2.820 133 1HB TYR 19 1HB TYR 19 -1.069 -6.004 0.401 134 2HB TYR 19 2HB TYR 19 -2.568 -6.859 0.437 135 HD1 TYR 19 HD1 TYR 19 -4.736 -5.589 0.908 136 HD2 TYR 19 HD2 TYR 19 -0.962 -3.629 0.679 137 HE1 TYR 19 HE1 TYR 19 -5.850 -3.406 0.659 138 HE2 TYR 19 HE2 TYR 19 -2.069 -1.483 0.446 139 HH TYR 19 HH TYR 19 -4.465 -0.779 -0.499 140 H CYS 20 H CYS 20 0.790 -6.378 2.650 141 HA CYS 20 HA CYS 20 1.525 -8.957 1.595 142 1HB CYS 20 1HB CYS 20 3.435 -7.159 3.141 143 2HB CYS 20 2HB CYS 20 3.701 -8.275 1.854 144 H ASN 21 H ASN 21 1.253 -7.744 4.963 145 HA ASN 21 HA ASN 21 2.601 -9.368 6.558 146 1HB ASN 21 1HB ASN 21 0.599 -7.679 7.027 147 2HB ASN 21 2HB ASN 21 -0.373 -9.136 7.136 148 1HD2 ASN 21 1HD2 ASN 21 1.574 -10.336 10.006 149 2HD2 ASN 21 2HD2 ASN 21 1.092 -10.947 8.499 150 1H PHE 1 1H PHE 22 10.232 7.610 -4.559 151 2H PHE 1 3H PHE 22 9.522 8.056 -3.088 152 3H PHE 1 2H PHE 22 8.824 6.814 -4.023 153 HA PHE 1 HA PHE 22 7.574 8.232 -5.050 154 1HB PHE 1 2HB PHE 22 7.480 9.573 -3.064 155 2HB PHE 1 1HB PHE 22 9.118 10.137 -3.242 156 HD1 PHE 1 HD1 PHE 22 5.660 10.508 -4.683 157 HD2 PHE 1 HD2 PHE 22 9.568 12.183 -4.391 158 HE1 PHE 1 HE1 PHE 22 4.860 12.569 -5.746 159 HE2 PHE 1 HE2 PHE 22 8.752 14.249 -5.461 160 HZ PHE 1 HZ PHE 22 6.403 14.441 -6.121 161 H VAL 2 H VAL 23 7.543 9.353 -7.012 162 HA VAL 2 HA VAL 23 10.195 10.088 -8.240 163 HB VAL 2 HB VAL 23 9.076 9.575 -10.466 164 1HG1 VAL 2 1HG1 VAL 23 9.054 7.238 -8.506 165 2HG1 VAL 2 3HG1 VAL 23 9.120 7.099 -10.255 166 3HG1 VAL 2 2HG1 VAL 23 10.447 7.838 -9.386 167 1HG2 VAL 2 1HG2 VAL 23 6.763 9.963 -9.786 168 2HG2 VAL 2 3HG2 VAL 23 6.955 8.404 -10.560 169 3HG2 VAL 2 2HG2 VAL 23 6.768 8.503 -8.814 170 H ASN 3 H ASN 24 9.381 11.669 -10.282 171 HA ASN 3 HA ASN 24 7.965 13.856 -8.817 172 1HB ASN 3 1HB ASN 24 9.767 14.029 -11.266 173 2HB ASN 3 2HB ASN 24 9.215 15.346 -10.238 174 1HD2 ASN 3 1HD2 ASN 24 12.330 13.059 -9.011 175 2HD2 ASN 3 2HD2 ASN 24 11.569 12.800 -10.505 176 H GLN 4 H GLN 25 6.336 12.055 -9.563 177 HA GLN 4 HA GLN 25 4.814 13.174 -11.852 178 1HB GLN 4 1HB GLN 25 6.011 10.989 -12.392 179 2HB GLN 4 2HB GLN 25 5.170 10.219 -11.066 180 1HG GLN 4 2HG GLN 25 4.229 9.674 -13.297 181 2HG GLN 4 1HG GLN 25 3.020 10.375 -12.253 182 1HE2 GLN 4 1HE2 GLN 25 4.002 12.226 -15.709 183 2HE2 GLN 4 2HE2 GLN 25 4.715 10.751 -15.268 184 H HIS 5 H HIS 26 2.389 11.585 -11.297 185 HA HIS 5 HA HIS 26 1.576 12.515 -8.731 186 1HB HIS 5 1HB HIS 26 0.036 12.049 -11.368 187 2HB HIS 5 2HB HIS 26 -0.596 12.878 -9.960 188 HD1 HIS 5 HD1 HIS 26 -0.157 14.240 -12.773 189 HD2 HIS 5 HD2 HIS 26 2.353 14.702 -9.587 190 HE1 HIS 5 HE1 HIS 26 1.052 16.328 -13.154 191 H LEU 6 H LEU 27 0.653 11.183 -7.888 192 HA LEU 6 HA LEU 27 1.028 8.240 -8.062 193 1HB LEU 6 1HB LEU 27 0.404 10.070 -5.767 194 2HB LEU 6 2HB LEU 27 0.453 8.337 -5.546 195 HG LEU 6 HG LEU 27 2.758 10.085 -6.574 196 1HD1 LEU 6 2HD1 LEU 27 2.152 10.408 -4.167 197 2HD1 LEU 6 1HD1 LEU 27 2.257 8.673 -3.917 198 3HD1 LEU 6 3HD1 LEU 27 3.703 9.596 -4.315 199 1HD2 LEU 6 1HD2 LEU 27 2.866 7.700 -7.445 200 2HD2 LEU 6 3HD2 LEU 27 4.148 8.060 -6.307 201 3HD2 LEU 6 2HD2 LEU 27 2.738 7.127 -5.797 202 H CYS 7 H CYS 28 -0.721 7.986 -9.535 203 HA CYS 7 HA CYS 28 -3.332 7.477 -8.150 204 1HB CYS 7 1HB CYS 28 -2.774 8.588 -10.927 205 2HB CYS 7 2HB CYS 28 -4.362 8.033 -10.507 206 H GLY 8 H GLY 29 -4.420 5.564 -8.913 207 1HA GLY 8 1HA GLY 29 -3.823 3.219 -8.869 208 2HA GLY 8 2HA GLY 29 -4.565 3.548 -10.357 209 H SER 9 H SER 30 -2.499 3.881 -12.277 210 HA SER 9 HA SER 30 -1.057 1.667 -12.518 211 1HB SER 9 2HB SER 30 -0.327 4.496 -13.399 212 2HB SER 9 1HB SER 30 0.583 3.072 -13.905 213 HG SER 9 HG SER 30 -2.155 2.775 -13.982 214 H HIS 10 H HIS 31 0.122 4.205 -10.488 215 HA HIS 10 HA HIS 31 2.718 2.811 -10.173 216 1HB HIS 10 1HB HIS 31 2.009 5.513 -8.979 217 2HB HIS 10 2HB HIS 31 3.587 4.792 -9.252 218 HD1 HIS 10 HD1 HIS 31 0.679 5.968 -11.252 219 HD2 HIS 10 HD2 HIS 31 4.670 5.275 -11.799 220 HE1 HIS 10 HE1 HIS 31 1.232 6.776 -13.527 221 H LEU 11 H LEU 32 -0.138 3.620 -8.221 222 HA LEU 11 HA LEU 32 1.238 2.835 -5.760 223 1HB LEU 11 1HB LEU 32 -1.833 2.843 -6.056 224 2HB LEU 11 2HB LEU 32 -0.834 3.014 -4.642 225 HG LEU 11 HG LEU 32 -0.899 5.124 -6.792 226 1HD1 LEU 11 1HD1 LEU 32 -2.368 4.920 -4.113 227 2HD1 LEU 11 3HD1 LEU 32 -2.358 6.321 -5.171 228 3HD1 LEU 11 2HD1 LEU 32 -3.104 4.827 -5.706 229 1HD2 LEU 11 2HD2 LEU 32 0.161 5.086 -3.919 230 2HD2 LEU 11 1HD2 LEU 32 1.162 5.126 -5.374 231 3HD2 LEU 11 3HD2 LEU 32 0.138 6.484 -4.966 232 H VAL 12 H VAL 33 -0.739 1.318 -8.306 233 HA VAL 12 HA VAL 33 -1.002 -1.155 -6.832 234 HB VAL 12 HB VAL 33 -1.698 -0.256 -9.646 235 1HG1 VAL 12 1HG1 VAL 33 -1.519 -3.174 -8.745 236 2HG1 VAL 12 3HG1 VAL 33 -2.240 -2.636 -10.249 237 3HG1 VAL 12 2HG1 VAL 33 -0.516 -2.455 -10.002 238 1HG2 VAL 12 2HG2 VAL 33 -3.084 -1.885 -7.457 239 2HG2 VAL 12 1HG2 VAL 33 -3.327 -0.168 -7.750 240 3HG2 VAL 12 3HG2 VAL 33 -3.852 -1.335 -8.937 241 H GLU 13 H GLU 34 1.135 0.043 -9.527 242 HA GLU 13 HA GLU 34 2.522 -2.462 -9.643 243 1HB GLU 13 1HB GLU 34 2.646 -0.306 -11.236 244 2HB GLU 13 2HB GLU 34 4.020 0.126 -10.225 245 1HG GLU 13 2HG GLU 34 5.094 -2.064 -10.761 246 2HG GLU 13 1HG GLU 34 3.663 -2.567 -11.626 247 H ALA 14 H ALA 35 2.872 0.261 -7.463 248 HA ALA 14 HA ALA 35 5.406 -0.617 -6.343 249 1HB ALA 14 2HB ALA 35 4.754 1.737 -6.306 250 2HB ALA 14 1HB ALA 35 3.373 1.370 -5.288 251 3HB ALA 14 3HB ALA 35 5.001 1.161 -4.671 252 H LEU 15 H LEU 36 2.013 -0.843 -5.112 253 HA LEU 15 HA LEU 36 2.737 -2.044 -2.639 254 1HB LEU 15 1HB LEU 36 0.529 -1.112 -2.985 255 2HB LEU 15 2HB LEU 36 0.032 -2.121 -4.233 256 HG LEU 15 HG LEU 36 -0.009 -2.360 -1.320 257 1HD1 LEU 15 1HD1 LEU 36 -1.726 -3.233 -3.625 258 2HD1 LEU 15 3HD1 LEU 36 -2.186 -3.369 -1.930 259 3HD1 LEU 15 2HD1 LEU 36 -1.890 -1.799 -2.655 260 1HD2 LEU 15 2HD2 LEU 36 0.433 -4.856 -2.957 261 2HD2 LEU 15 1HD2 LEU 36 1.401 -4.264 -1.606 262 3HD2 LEU 15 3HD2 LEU 36 -0.226 -4.803 -1.318 263 H TYR 16 H TYR 37 2.040 -3.440 -5.771 264 HA TYR 16 HA TYR 37 2.318 -6.168 -4.924 265 1HB TYR 16 1HB TYR 37 2.133 -4.688 -7.576 266 2HB TYR 16 2HB TYR 37 2.293 -6.422 -7.509 267 HD1 TYR 16 HD1 TYR 37 0.115 -3.646 -6.075 268 HD2 TYR 16 HD2 TYR 37 0.358 -7.723 -7.231 269 HE1 TYR 16 HE1 TYR 37 -2.258 -3.881 -5.698 270 HE2 TYR 16 HE2 TYR 37 -2.056 -7.977 -6.829 271 HH TYR 16 HH TYR 37 -4.037 -5.240 -5.740 272 H LEU 17 H LEU 38 4.495 -3.650 -5.637 273 HA LEU 17 HA LEU 38 6.742 -5.399 -6.379 274 1HB LEU 17 1HB LEU 38 6.465 -3.222 -7.566 275 2HB LEU 17 2HB LEU 38 6.585 -2.343 -6.055 276 HG LEU 17 HG LEU 38 8.925 -3.055 -5.783 277 1HD1 LEU 17 1HD1 LEU 38 8.561 -4.422 -8.479 278 2HD1 LEU 17 3HD1 LEU 38 10.078 -4.245 -7.616 279 3HD1 LEU 17 2HD1 LEU 38 8.801 -5.256 -6.954 280 1HD2 LEU 17 2HD2 LEU 38 8.334 -1.860 -8.519 281 2HD2 LEU 17 1HD2 LEU 38 8.433 -0.972 -7.014 282 3HD2 LEU 17 3HD2 LEU 38 9.854 -1.759 -7.661 283 H VAL 18 H VAL 39 5.590 -3.617 -3.556 284 HA VAL 18 HA VAL 39 8.104 -3.867 -2.093 285 HB VAL 18 HB VAL 39 5.319 -3.043 -1.113 286 1HG1 VAL 18 1HG1 VAL 39 8.078 -2.780 0.183 287 2HG1 VAL 18 3HG1 VAL 39 6.579 -2.123 0.843 288 3HG1 VAL 18 2HG1 VAL 39 6.807 -3.856 0.713 289 1HG2 VAL 18 2HG2 VAL 39 7.755 -1.355 -1.857 290 2HG2 VAL 18 1HG2 VAL 39 6.286 -1.471 -2.806 291 3HG2 VAL 18 3HG2 VAL 39 6.237 -0.742 -1.215 292 H CYS 19 H CYS 40 4.939 -5.529 -1.960 293 HA CYS 19 HA CYS 40 5.193 -7.097 0.297 294 1HB CYS 19 1HB CYS 40 3.956 -7.656 -2.375 295 2HB CYS 19 2HB CYS 40 3.902 -8.877 -1.131 296 H GLY 20 H GLY 41 7.053 -7.261 -2.490 297 1HA GLY 20 1HA GLY 41 9.325 -8.459 -2.239 298 2HA GLY 20 2HA GLY 41 8.402 -9.767 -1.517 299 H GLU 21 H GLU 42 7.528 -7.840 -4.425 300 HA GLU 21 HA GLU 42 6.970 -8.502 -6.535 301 1HB GLU 21 1HB GLU 42 9.053 -10.695 -5.971 302 2HB GLU 21 2HB GLU 42 8.390 -10.338 -7.536 303 1HG GLU 21 2HG GLU 42 10.589 -9.228 -7.336 304 2HG GLU 21 1HG GLU 42 9.340 -8.000 -7.423 305 H ARG 22 H ARG 43 5.162 -9.047 -4.873 306 HA ARG 22 HA ARG 43 4.211 -11.844 -5.316 307 1HB ARG 22 1HB ARG 43 4.600 -11.122 -2.842 308 2HB ARG 22 2HB ARG 43 3.409 -9.887 -3.140 309 1HG ARG 22 2HG ARG 43 2.354 -11.719 -1.943 310 2HG ARG 22 1HG ARG 43 1.610 -11.478 -3.494 311 1HD ARG 22 2HD ARG 43 3.685 -13.652 -2.983 312 2HD ARG 22 1HD ARG 43 1.970 -13.913 -2.788 313 HE ARG 22 HE ARG 43 3.358 -13.327 -5.382 314 1HH1 ARG 22 2HH2 ARG 43 0.630 -14.700 -3.673 315 2HH1 ARG 22 1HH2 ARG 43 -0.143 -15.153 -5.150 316 1HH2 ARG 22 2HH1 ARG 43 2.300 -13.778 -7.193 317 2HH2 ARG 22 1HH1 ARG 43 0.798 -14.649 -7.158 318 H GLY 23 H GLY 44 1.898 -11.996 -5.694 319 1HA GLY 23 1HA GLY 44 0.638 -9.540 -6.828 320 2HA GLY 23 2HA GLY 44 0.696 -11.019 -7.715 321 H PHE 24 H PHE 45 -0.165 -10.767 -4.269 322 HA PHE 24 HA PHE 45 -2.099 -12.403 -3.809 323 1HB PHE 24 1HB PHE 45 -3.339 -10.606 -2.461 324 2HB PHE 24 2HB PHE 45 -1.645 -10.799 -2.145 325 HD1 PHE 24 HD2 PHE 45 -0.159 -9.012 -3.921 326 HD2 PHE 24 HD1 PHE 45 -4.020 -8.471 -2.167 327 HE1 PHE 24 HE2 PHE 45 0.097 -6.612 -4.084 328 HE2 PHE 24 HE1 PHE 45 -3.740 -6.049 -2.325 329 HZ PHE 24 HZ PHE 45 -1.696 -5.133 -3.297 330 H PHE 25 H PHE 46 -3.158 -9.501 -5.694 331 HA PHE 25 HA PHE 46 -5.119 -11.140 -7.095 332 1HB PHE 25 1HB PHE 46 -6.237 -10.251 -4.906 333 2HB PHE 25 2HB PHE 46 -6.083 -8.642 -5.592 334 HD1 PHE 25 HD2 PHE 46 -6.798 -11.142 -8.190 335 HD2 PHE 25 HD1 PHE 46 -8.613 -8.729 -5.175 336 HE1 PHE 25 HE2 PHE 46 -8.962 -11.431 -9.255 337 HE2 PHE 25 HE1 PHE 46 -10.789 -9.017 -6.265 338 HZ PHE 25 HZ PHE 46 -10.986 -10.363 -8.297 339 H TYR 26 H TYR 47 -3.495 -10.594 -8.453 340 HA TYR 26 HA TYR 47 -3.643 -9.375 -10.731 341 1HB TYR 26 1HB TYR 47 -3.948 -7.020 -10.225 342 2HB TYR 26 2HB TYR 47 -3.166 -7.150 -8.677 343 HD1 TYR 26 HD1 TYR 47 -1.656 -7.900 -12.090 344 HD2 TYR 26 HD2 TYR 47 -1.685 -5.482 -8.612 345 HE1 TYR 26 HE1 TYR 47 0.398 -6.779 -12.828 346 HE2 TYR 26 HE2 TYR 47 0.377 -4.377 -9.333 347 HH TYR 26 HH TYR 47 1.457 -3.973 -11.787 348 H THR 27 H THR 48 -2.674 -11.127 -10.665 349 HA THR 27 HA THR 48 -0.043 -11.712 -9.481 350 HB THR 27 HB THR 48 -1.734 -13.256 -8.873 351 HG1 THR 27 HG1 THR 48 0.269 -14.002 -10.571 352 1HG2 THR 27 1HG2 THR 48 -2.332 -13.607 -11.855 353 2HG2 THR 27 3HG2 THR 48 -3.079 -14.496 -10.553 354 3HG2 THR 27 2HG2 THR 48 -3.384 -12.780 -10.717 355 HA PRO 28 HA PRO 49 0.406 -11.189 -14.126 356 1HB PRO 28 1HB PRO 49 2.347 -9.392 -14.501 357 2HB PRO 28 2HB PRO 49 0.728 -8.874 -13.990 358 1HG PRO 28 2HG PRO 49 3.190 -9.307 -12.253 359 2HG PRO 28 1HG PRO 49 2.110 -7.928 -12.273 360 1HD PRO 28 1HD PRO 49 1.907 -9.899 -10.518 361 2HD PRO 28 2HD PRO 49 0.415 -9.038 -11.041 362 H LYS 29 H LYS 50 1.783 -12.483 -15.364 363 HA LYS 29 HA LYS 50 3.812 -14.001 -13.847 364 1HB LYS 29 1HB LYS 50 2.317 -14.303 -16.455 365 2HB LYS 29 2HB LYS 50 3.809 -15.196 -16.257 366 1HG LYS 29 2HG LYS 50 1.802 -16.498 -15.652 367 2HG LYS 29 1HG LYS 50 2.884 -16.359 -14.283 368 1HD LYS 29 2HD LYS 50 1.338 -14.330 -13.568 369 2HD LYS 29 1HD LYS 50 0.237 -14.896 -14.805 370 1HE LYS 29 2HE LYS 50 -0.354 -15.727 -12.567 371 2HE LYS 29 1HE LYS 50 0.106 -17.079 -13.603 372 1HZ LYS 29 1HZ LYS 50 2.401 -16.070 -12.377 373 2HZ LYS 29 3HZ LYS 50 1.212 -16.248 -11.183 374 3HZ LYS 29 2HZ LYS 50 1.662 -17.582 -12.138 375 H THR 30 H THR 51 5.963 -13.951 -14.326 376 HA THR 30 HA THR 51 6.888 -11.699 -16.084 377 HB THR 30 HB THR 51 8.701 -13.018 -14.012 378 HG1 THR 30 HG1 THR 51 6.386 -11.732 -13.465 379 1HG2 THR 30 2HG2 THR 51 9.457 -11.125 -15.639 380 2HG2 THR 30 1HG2 THR 51 8.241 -10.098 -14.883 381 3HG2 THR 30 3HG2 THR 51 9.585 -10.704 -13.936 No H/Q in entry = 381 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -10.703 -2.423 5.288 2 2H GLY 1 3H GLY 1 -10.949 -4.086 5.002 3 3H GLY 1 2H GLY 1 -10.535 -3.544 6.558 4 1HA GLY 1 2HA GLY 1 -8.419 -3.777 6.133 5 2HA GLY 1 1HA GLY 1 -8.819 -4.348 4.510 6 H ILE 2 H ILE 2 -9.219 -2.644 2.845 7 HA ILE 2 HA ILE 2 -7.748 -0.111 3.463 8 HB ILE 2 HB ILE 2 -6.729 -0.234 1.176 9 1HG1 ILE 2 2HG1 ILE 2 -6.639 -2.627 0.118 10 2HG1 ILE 2 1HG1 ILE 2 -8.062 -2.973 1.049 11 1HG2 ILE 2 2HG2 ILE 2 -5.482 -0.936 3.119 12 2HG2 ILE 2 1HG2 ILE 2 -6.119 -2.577 3.000 13 3HG2 ILE 2 3HG2 ILE 2 -5.060 -1.957 1.750 14 1HD1 ILE 2 1HD ILE 2 -7.873 -0.782 -1.025 15 2HD1 ILE 2 3HD ILE 2 -8.610 -2.358 -1.246 16 3HD1 ILE 2 2HD ILE 2 -9.325 -1.203 -0.140 17 H VAL 3 H VAL 3 -7.966 1.458 1.686 18 HA VAL 3 HA VAL 3 -10.758 1.608 0.630 19 HB VAL 3 HB VAL 3 -10.832 3.976 1.296 20 1HG1 VAL 3 1HG1 VAL 3 -9.964 2.260 3.641 21 2HG1 VAL 3 3HG1 VAL 3 -10.823 3.786 3.760 22 3HG1 VAL 3 2HG1 VAL 3 -11.594 2.402 2.991 23 1HG2 VAL 3 2HG2 VAL 3 -8.026 3.569 2.406 24 2HG2 VAL 3 1HG2 VAL 3 -8.444 4.537 1.001 25 3HG2 VAL 3 3HG2 VAL 3 -8.976 5.025 2.601 26 H GLU 4 H GLU 4 -10.582 3.845 -0.688 27 HA GLU 4 HA GLU 4 -10.043 3.841 -3.146 28 1HB GLU 4 1HB GLU 4 -8.969 5.896 -1.215 29 2HB GLU 4 2HB GLU 4 -8.673 6.149 -2.908 30 1HG GLU 4 2HG GLU 4 -10.732 7.304 -2.083 31 2HG GLU 4 1HG GLU 4 -11.089 6.186 -3.383 32 H GLN 5 H GLN 5 -8.689 1.861 -3.266 33 HA GLN 5 HA GLN 5 -6.135 1.250 -3.110 34 1HB GLN 5 1HB GLN 5 -7.911 -0.034 -4.317 35 2HB GLN 5 2HB GLN 5 -7.698 0.982 -5.723 36 1HG GLN 5 2HG GLN 5 -5.312 0.155 -5.941 37 2HG GLN 5 1HG GLN 5 -5.550 -0.843 -4.521 38 1HE2 GLN 5 1HE2 GLN 5 -6.755 -2.245 -8.076 39 2HE2 GLN 5 2HE2 GLN 5 -5.769 -0.879 -7.902 40 H CYS 6 H CYS 6 -6.988 3.902 -5.103 41 HA CYS 6 HA CYS 6 -4.424 4.041 -6.522 42 1HB CYS 6 1HB CYS 6 -7.073 5.173 -6.751 43 2HB CYS 6 2HB CYS 6 -5.850 6.380 -6.993 44 H CYS 7 H CYS 7 -6.008 5.998 -4.071 45 HA CYS 7 HA CYS 7 -3.465 7.057 -3.085 46 1HB CYS 7 1HB CYS 7 -4.137 8.564 -5.070 47 2HB CYS 7 2HB CYS 7 -5.545 9.038 -4.155 48 H THR 8 H THR 8 -4.969 5.429 -2.018 49 HA THR 8 HA THR 8 -7.094 5.245 -0.631 50 HB THR 8 HB THR 8 -5.860 4.180 1.240 51 HG1 THR 8 HG1 THR 8 -4.403 5.684 1.874 52 1HG2 THR 8 2HG2 THR 8 -5.442 3.208 -1.137 53 2HG2 THR 8 1HG2 THR 8 -4.014 4.229 -1.231 54 3HG2 THR 8 3HG2 THR 8 -4.090 2.951 -0.042 55 H SER 9 H SER 9 -4.871 7.023 1.448 56 HA SER 9 HA SER 9 -7.011 8.932 2.184 57 1HB SER 9 2HB SER 9 -6.250 8.498 4.657 58 2HB SER 9 1HB SER 9 -7.058 7.161 3.852 59 HG SER 9 HG SER 9 -4.772 6.626 3.114 60 H ILE 10 H ILE 10 -3.737 8.268 3.154 61 HA ILE 10 HA ILE 10 -2.905 11.000 2.230 62 HB ILE 10 HB ILE 10 -1.873 9.579 4.762 63 1HG1 ILE 10 2HG1 ILE 10 -4.029 11.719 4.399 64 2HG1 ILE 10 1HG1 ILE 10 -4.232 10.106 5.076 65 1HG2 ILE 10 1HG2 ILE 10 -1.620 12.475 3.767 66 2HG2 ILE 10 3HG2 ILE 10 -0.946 11.856 5.265 67 3HG2 ILE 10 2HG2 ILE 10 -0.322 11.296 3.733 68 1HD1 ILE 10 2HD ILE 10 -2.810 10.726 7.020 69 2HD1 ILE 10 1HD ILE 10 -2.652 12.376 6.389 70 3HD1 ILE 10 3HD ILE 10 -4.210 11.760 6.863 71 H CYS 11 H CYS 11 -2.959 8.880 0.794 72 HA CYS 11 HA CYS 11 -1.557 6.942 0.052 73 1HB CYS 11 1HB CYS 11 -0.871 9.231 -1.737 74 2HB CYS 11 2HB CYS 11 -1.659 7.709 -2.105 75 H SER 12 H SER 12 0.055 6.738 1.738 76 HA SER 12 HA SER 12 2.748 7.795 1.105 77 1HB SER 12 2HB SER 12 3.165 7.116 3.602 78 2HB SER 12 1HB SER 12 1.836 8.253 3.440 79 HG SER 12 HG SER 12 1.802 5.588 4.039 80 H LEU 13 H LEU 13 4.395 6.286 1.085 81 HA LEU 13 HA LEU 13 3.909 3.816 -0.265 82 1HB LEU 13 1HB LEU 13 6.332 4.608 1.305 83 2HB LEU 13 2HB LEU 13 6.289 3.328 0.126 84 HG LEU 13 HG LEU 13 7.270 5.104 -1.131 85 1HD1 LEU 13 1HD1 LEU 13 4.326 5.184 -1.791 86 2HD1 LEU 13 3HD1 LEU 13 5.614 5.737 -2.813 87 3HD1 LEU 13 2HD1 LEU 13 5.500 4.033 -2.409 88 1HD2 LEU 13 1HD2 LEU 13 6.822 6.980 0.433 89 2HD2 LEU 13 3HD2 LEU 13 6.492 7.406 -1.233 90 3HD2 LEU 13 2HD2 LEU 13 5.172 7.076 -0.157 91 H TYR 14 H TYR 14 3.863 4.796 2.991 92 HA TYR 14 HA TYR 14 4.348 2.299 4.305 93 1HB TYR 14 1HB TYR 14 4.561 4.538 5.413 94 2HB TYR 14 2HB TYR 14 2.830 4.792 5.365 95 HD1 TYR 14 HD1 TYR 14 5.506 2.600 6.661 96 HD2 TYR 14 HD2 TYR 14 1.379 3.627 6.916 97 HE1 TYR 14 HE1 TYR 14 5.281 1.231 8.676 98 HE2 TYR 14 HE2 TYR 14 1.164 2.267 8.938 99 HH TYR 14 HH TYR 14 2.243 1.107 10.495 100 H GLN 15 H GLN 15 1.430 3.828 2.968 101 HA GLN 15 HA GLN 15 -0.318 1.804 4.124 102 1HB GLN 15 1HB GLN 15 -0.971 4.168 3.465 103 2HB GLN 15 2HB GLN 15 -0.831 3.674 1.790 104 1HG GLN 15 2HG GLN 15 -3.093 3.188 2.042 105 2HG GLN 15 1HG GLN 15 -2.521 1.682 2.710 106 1HE2 GLN 15 1HE2 GLN 15 -4.586 4.265 4.964 107 2HE2 GLN 15 2HE2 GLN 15 -4.270 4.469 3.298 108 H LEU 16 H LEU 16 1.896 1.976 1.497 109 HA LEU 16 HA LEU 16 0.479 0.050 -0.202 110 1HB LEU 16 1HB LEU 16 3.449 0.727 -0.395 111 2HB LEU 16 2HB LEU 16 2.389 0.100 -1.622 112 HG LEU 16 HG LEU 16 2.311 2.850 -0.401 113 1HD1 LEU 16 2HD1 LEU 16 4.055 2.426 -2.148 114 2HD1 LEU 16 1HD1 LEU 16 2.807 1.846 -3.248 115 3HD1 LEU 16 3HD1 LEU 16 2.845 3.533 -2.777 116 1HD2 LEU 16 2HD2 LEU 16 0.307 1.733 -2.348 117 2HD2 LEU 16 1HD2 LEU 16 0.018 2.269 -0.695 118 3HD2 LEU 16 3HD2 LEU 16 0.477 3.434 -1.889 119 H GLU 17 H GLU 17 2.711 0.093 2.424 120 HA GLU 17 HA GLU 17 3.834 -2.520 2.172 121 1HB GLU 17 1HB GLU 17 3.225 -0.837 4.665 122 2HB GLU 17 2HB GLU 17 4.202 -2.289 4.689 123 1HG GLU 17 2HG GLU 17 5.888 -1.289 3.235 124 2HG GLU 17 1HG GLU 17 4.864 0.087 2.907 125 H ASN 18 H ASN 18 0.760 -1.333 3.028 126 HA ASN 18 HA ASN 18 -0.316 -3.473 4.559 127 1HB ASN 18 1HB ASN 18 -1.145 -1.066 4.345 128 2HB ASN 18 2HB ASN 18 -1.777 -1.500 2.776 129 1HD2 ASN 18 1HD2 ASN 18 -4.094 -3.751 5.000 130 2HD2 ASN 18 2HD2 ASN 18 -2.596 -4.261 4.409 131 H TYR 19 H TYR 19 0.303 -3.331 1.191 132 HA TYR 19 HA TYR 19 -1.793 -5.294 0.471 133 1HB TYR 19 1HB TYR 19 0.596 -4.352 -1.215 134 2HB TYR 19 2HB TYR 19 -0.715 -5.370 -1.772 135 HD1 TYR 19 HD1 TYR 19 -0.351 -2.024 -0.043 136 HD2 TYR 19 HD2 TYR 19 -2.433 -4.303 -2.976 137 HE1 TYR 19 HE1 TYR 19 -1.635 -0.045 -0.668 138 HE2 TYR 19 HE2 TYR 19 -3.726 -2.320 -3.573 139 HH TYR 19 HH TYR 19 -4.279 0.086 -1.961 140 H CYS 20 H CYS 20 1.404 -5.466 1.722 141 HA CYS 20 HA CYS 20 1.581 -8.395 1.099 142 1HB CYS 20 1HB CYS 20 4.072 -6.997 2.042 143 2HB CYS 20 2HB CYS 20 3.834 -8.248 0.892 144 H ASN 21 H ASN 21 1.834 -5.898 3.560 145 HA ASN 21 HA ASN 21 1.932 -7.864 5.763 146 1HB ASN 21 1HB ASN 21 2.786 -4.947 5.569 147 2HB ASN 21 2HB ASN 21 2.733 -5.822 7.086 148 1HD2 ASN 21 1HD2 ASN 21 5.425 -7.953 5.173 149 2HD2 ASN 21 2HD2 ASN 21 3.749 -8.237 5.126 150 1H PHE 1 1H PHE 22 12.744 5.343 -5.596 151 2H PHE 1 3H PHE 22 13.721 5.925 -4.337 152 3H PHE 1 2H PHE 22 12.703 4.590 -4.071 153 HA PHE 1 HA PHE 22 11.087 5.877 -3.413 154 1HB PHE 1 2HB PHE 22 13.015 7.378 -2.737 155 2HB PHE 1 1HB PHE 22 12.860 8.232 -4.253 156 HD1 PHE 1 HD2 PHE 22 10.169 7.052 -1.885 157 HD2 PHE 1 HD1 PHE 22 12.126 10.383 -3.686 158 HE1 PHE 1 HE2 PHE 22 8.538 8.581 -0.860 159 HE2 PHE 1 HE1 PHE 22 10.496 11.894 -2.648 160 HZ PHE 1 HZ PHE 22 8.707 10.989 -1.246 161 H VAL 2 H VAL 23 9.283 7.090 -4.190 162 HA VAL 2 HA VAL 23 9.201 7.380 -7.166 163 HB VAL 2 HB VAL 23 6.631 6.941 -6.747 164 1HG1 VAL 2 1HG1 VAL 23 8.655 4.680 -6.312 165 2HG1 VAL 2 3HG1 VAL 23 6.993 4.486 -6.828 166 3HG1 VAL 2 2HG1 VAL 23 8.138 5.290 -7.867 167 1HG2 VAL 2 1HG2 VAL 23 6.757 7.169 -4.260 168 2HG2 VAL 2 3HG2 VAL 23 6.153 5.592 -4.780 169 3HG2 VAL 2 2HG2 VAL 23 7.793 5.744 -4.194 170 H ASN 3 H ASN 24 7.205 8.753 -7.735 171 HA ASN 3 HA ASN 24 7.521 11.422 -6.440 172 1HB ASN 3 1HB ASN 24 6.185 10.619 -9.112 173 2HB ASN 3 2HB ASN 24 6.708 12.247 -8.713 174 1HD2 ASN 3 1HD2 ASN 24 9.349 9.874 -10.472 175 2HD2 ASN 3 2HD2 ASN 24 7.700 9.499 -10.398 176 H GLN 4 H GLN 25 5.114 12.596 -6.298 177 HA GLN 4 HA GLN 25 3.393 10.727 -4.811 178 1HB GLN 4 1HB GLN 25 3.923 13.093 -4.101 179 2HB GLN 4 2HB GLN 25 2.997 13.671 -5.475 180 1HG GLN 4 2HG GLN 25 1.638 13.702 -3.403 181 2HG GLN 4 1HG GLN 25 0.940 12.551 -4.523 182 1HE2 GLN 4 1HE2 GLN 25 1.141 10.013 -2.111 183 2HE2 GLN 4 2HE2 GLN 25 0.302 10.724 -3.410 184 H HIS 5 H HIS 26 3.775 10.071 -7.600 185 HA HIS 5 HA HIS 26 1.218 10.777 -8.913 186 1HB HIS 5 1HB HIS 26 3.849 9.596 -9.935 187 2HB HIS 5 2HB HIS 26 2.470 9.934 -10.968 188 HD1 HIS 5 HD1 HIS 26 4.542 11.472 -12.000 189 HD2 HIS 5 HD2 HIS 26 2.833 12.854 -8.560 190 HE1 HIS 5 HE1 HIS 26 5.137 13.864 -11.839 191 H LEU 6 H LEU 27 0.632 9.348 -6.983 192 HA LEU 6 HA LEU 27 0.840 6.428 -7.602 193 1HB LEU 6 1HB LEU 27 -0.023 7.860 -5.059 194 2HB LEU 6 2HB LEU 27 0.191 6.129 -5.236 195 HG LEU 6 HG LEU 27 2.500 8.103 -5.773 196 1HD1 LEU 6 2HD1 LEU 27 1.750 8.385 -3.437 197 2HD1 LEU 6 1HD1 LEU 27 1.895 6.656 -3.156 198 3HD1 LEU 6 3HD1 LEU 27 3.322 7.625 -3.515 199 1HD2 LEU 6 1HD2 LEU 27 2.736 5.754 -6.673 200 2HD2 LEU 6 3HD2 LEU 27 3.903 6.111 -5.429 201 3HD2 LEU 6 2HD2 LEU 27 2.500 5.120 -5.052 202 H CYS 7 H CYS 28 -0.550 5.726 -8.692 203 HA CYS 7 HA CYS 28 -2.929 4.825 -8.778 204 1HB CYS 7 1HB CYS 28 -3.924 7.122 -7.959 205 2HB CYS 7 2HB CYS 28 -3.416 7.799 -9.476 206 H GLY 8 H GLY 29 -1.616 3.869 -10.227 207 1HA GLY 8 1HA GLY 29 -1.564 3.751 -12.764 208 2HA GLY 8 2HA GLY 29 -0.901 5.396 -12.652 209 H SER 9 H SER 30 1.156 3.944 -13.918 210 HA SER 9 HA SER 30 2.639 2.068 -13.180 211 1HB SER 9 2HB SER 30 3.461 4.882 -13.939 212 2HB SER 9 1HB SER 30 4.643 3.567 -13.917 213 HG SER 9 HG SER 30 2.775 4.058 -15.733 214 H HIS 10 H HIS 31 2.856 4.732 -10.955 215 HA HIS 10 HA HIS 31 5.272 3.673 -9.729 216 1HB HIS 10 1HB HIS 31 3.421 5.892 -8.898 217 2HB HIS 10 2HB HIS 31 4.792 5.381 -7.916 218 HD1 HIS 10 HD1 HIS 31 7.092 5.295 -9.440 219 HD2 HIS 10 HD2 HIS 31 4.136 7.727 -10.836 220 HE1 HIS 10 HE1 HIS 31 8.168 6.841 -11.001 221 H LEU 11 H LEU 32 1.849 3.227 -9.179 222 HA LEU 11 HA LEU 32 2.295 1.895 -6.575 223 1HB LEU 11 1HB LEU 32 -0.184 2.406 -8.301 224 2HB LEU 11 2HB LEU 32 -0.237 1.252 -6.982 225 HG LEU 11 HG LEU 32 0.573 4.197 -6.649 226 1HD1 LEU 11 2HD1 LEU 32 -1.761 3.953 -7.379 227 2HD1 LEU 11 1HD1 LEU 32 -2.064 2.831 -6.062 228 3HD1 LEU 11 3HD1 LEU 32 -1.636 4.493 -5.710 229 1HD2 LEU 11 1HD2 LEU 32 1.351 2.624 -4.778 230 2HD2 LEU 11 3HD2 LEU 32 0.149 3.764 -4.219 231 3HD2 LEU 11 2HD2 LEU 32 -0.314 2.111 -4.563 232 H VAL 12 H VAL 33 1.985 1.353 -10.040 233 HA VAL 12 HA VAL 33 1.652 -1.530 -9.833 234 HB VAL 12 HB VAL 33 2.931 0.046 -12.124 235 1HG1 VAL 12 1HG1 VAL 33 1.817 -2.806 -12.008 236 2HG1 VAL 12 3HG1 VAL 33 2.420 -1.998 -13.457 237 3HG1 VAL 12 2HG1 VAL 33 3.507 -2.376 -12.148 238 1HG2 VAL 12 2HG2 VAL 33 0.085 -0.981 -11.761 239 2HG2 VAL 12 1HG2 VAL 33 0.579 0.709 -11.760 240 3HG2 VAL 12 3HG2 VAL 33 0.705 -0.254 -13.229 241 H GLU 13 H GLU 34 4.472 0.636 -10.266 242 HA GLU 13 HA GLU 34 6.366 -1.571 -10.183 243 1HB GLU 13 1HB GLU 34 7.022 1.338 -9.683 244 2HB GLU 13 2HB GLU 34 8.099 0.060 -10.150 245 1HG GLU 13 2HG GLU 34 7.433 -0.103 -12.326 246 2HG GLU 13 1HG GLU 34 5.792 0.349 -12.017 247 H ALA 14 H ALA 35 4.881 0.399 -7.702 248 HA ALA 14 HA ALA 35 6.859 -0.338 -5.662 249 1HB ALA 14 1HB ALA 35 4.221 1.139 -5.413 250 2HB ALA 14 3HB ALA 35 5.408 0.938 -4.123 251 3HB ALA 14 2HB ALA 35 5.808 1.864 -5.555 252 H LEU 15 H LEU 36 3.499 -1.418 -6.402 253 HA LEU 15 HA LEU 36 3.518 -3.112 -4.022 254 1HB LEU 15 1HB LEU 36 1.528 -2.743 -6.337 255 2HB LEU 15 2HB LEU 36 1.348 -4.036 -5.172 256 HG LEU 15 HG LEU 36 1.050 -2.461 -3.357 257 1HD1 LEU 15 1HD1 LEU 36 1.715 -0.193 -5.303 258 2HD1 LEU 15 3HD1 LEU 36 1.168 0.009 -3.665 259 3HD1 LEU 15 2HD1 LEU 36 2.731 -0.705 -3.971 260 1HD2 LEU 15 2HD2 LEU 36 -0.430 -1.495 -5.837 261 2HD2 LEU 15 1HD2 LEU 36 -0.921 -2.814 -4.780 262 3HD2 LEU 15 3HD2 LEU 36 -0.916 -1.155 -4.187 263 H TYR 16 H TYR 37 4.213 -3.411 -7.405 264 HA TYR 16 HA TYR 37 4.383 -6.320 -7.406 265 1HB TYR 16 1HB TYR 37 5.424 -4.222 -9.330 266 2HB TYR 16 2HB TYR 37 5.659 -5.918 -9.566 267 HD1 TYR 16 HD2 TYR 37 2.451 -4.224 -8.361 268 HD2 TYR 16 HD1 TYR 37 4.445 -6.335 -11.492 269 HE1 TYR 16 HE2 TYR 37 0.360 -4.461 -9.535 270 HE2 TYR 16 HE1 TYR 37 2.317 -6.565 -12.675 271 HH TYR 16 HH TYR 37 -0.670 -5.167 -11.366 272 H LEU 17 H LEU 38 6.441 -3.676 -6.517 273 HA LEU 17 HA LEU 38 8.835 -5.421 -6.488 274 1HB LEU 17 1HB LEU 38 9.023 -3.167 -7.455 275 2HB LEU 17 2HB LEU 38 8.497 -2.444 -5.946 276 HG LEU 17 HG LEU 38 10.549 -3.124 -4.810 277 1HD1 LEU 17 1HD1 LEU 38 11.306 -4.601 -7.415 278 2HD1 LEU 17 3HD1 LEU 38 12.327 -4.462 -5.996 279 3HD1 LEU 17 2HD1 LEU 38 10.871 -5.403 -5.918 280 1HD2 LEU 17 1HD2 LEU 38 10.730 -1.092 -6.243 281 2HD2 LEU 17 3HD2 LEU 38 12.255 -1.948 -6.170 282 3HD2 LEU 17 2HD2 LEU 38 11.231 -2.086 -7.600 283 H VAL 18 H VAL 39 6.463 -4.154 -4.271 284 HA VAL 18 HA VAL 39 8.221 -4.741 -1.945 285 HB VAL 18 HB VAL 39 5.462 -3.416 -2.163 286 1HG1 VAL 18 2HG1 VAL 39 5.663 -4.759 -0.015 287 2HG1 VAL 18 1HG1 VAL 39 7.163 -3.931 0.342 288 3HG1 VAL 18 3HG1 VAL 39 5.646 -3.045 0.304 289 1HG2 VAL 18 1HG2 VAL 39 7.491 -2.052 -2.830 290 2HG2 VAL 18 3HG2 VAL 39 6.772 -1.444 -1.344 291 3HG2 VAL 18 2HG2 VAL 39 8.225 -2.426 -1.284 292 H CYS 19 H CYS 40 5.170 -5.972 -3.432 293 HA CYS 19 HA CYS 40 5.126 -8.127 -1.379 294 1HB CYS 19 1HB CYS 40 2.992 -7.544 -3.631 295 2HB CYS 19 2HB CYS 40 2.985 -8.801 -2.469 296 H GLY 20 H GLY 41 5.451 -7.670 -4.965 297 1HA GLY 20 1HA GLY 41 6.492 -8.831 -6.549 298 2HA GLY 20 2HA GLY 41 7.463 -9.626 -5.358 299 H GLU 21 H GLU 42 5.297 -11.035 -4.030 300 HA GLU 21 HA GLU 42 3.697 -12.455 -5.929 301 1HB GLU 21 1HB GLU 42 4.976 -14.718 -5.154 302 2HB GLU 21 2HB GLU 42 5.656 -13.776 -6.448 303 1HG GLU 21 2HG GLU 42 7.416 -14.438 -4.879 304 2HG GLU 21 1HG GLU 42 7.272 -12.702 -4.869 305 H ARG 22 H ARG 43 3.097 -10.927 -3.743 306 HA ARG 22 HA ARG 43 2.083 -12.968 -1.789 307 1HB ARG 22 1HB ARG 43 3.883 -11.149 -1.050 308 2HB ARG 22 2HB ARG 43 2.495 -10.075 -1.045 309 1HG ARG 22 2HG ARG 43 2.626 -12.680 0.506 310 2HG ARG 22 1HG ARG 43 3.031 -11.130 1.188 311 1HD ARG 22 2HD ARG 43 0.749 -10.286 0.839 312 2HD ARG 22 1HD ARG 43 0.284 -11.774 0.023 313 HE ARG 22 HE ARG 43 -0.373 -11.773 2.461 314 1HH1 ARG 22 1HH1 ARG 43 2.077 -14.577 2.937 315 2HH1 ARG 22 2HH1 ARG 43 0.957 -14.302 1.640 316 1HH2 ARG 22 2HH2 ARG 43 1.820 -11.205 3.989 317 2HH2 ARG 22 1HH2 ARG 43 2.555 -12.737 4.379 318 H GLY 23 H GLY 44 0.294 -13.235 -3.082 319 1HA GLY 23 1HA GLY 44 -1.741 -12.557 -4.251 320 2HA GLY 23 2HA GLY 44 -2.109 -12.730 -2.579 321 H PHE 24 H PHE 45 -1.206 -9.795 -4.772 322 HA PHE 24 HA PHE 45 -2.694 -8.278 -2.800 323 1HB PHE 24 1HB PHE 45 -1.259 -6.363 -3.633 324 2HB PHE 24 2HB PHE 45 -0.224 -7.691 -3.165 325 HD1 PHE 24 HD1 PHE 45 -1.829 -5.977 -6.022 326 HD2 PHE 24 HD2 PHE 45 1.208 -8.726 -4.854 327 HE1 PHE 24 HE1 PHE 45 -0.910 -5.915 -8.290 328 HE2 PHE 24 HE2 PHE 45 2.138 -8.641 -7.136 329 HZ PHE 24 HZ PHE 45 1.087 -7.253 -8.851 330 H PHE 25 H PHE 46 -3.920 -6.257 -4.309 331 HA PHE 25 HA PHE 46 -4.813 -7.404 -6.833 332 1HB PHE 25 1HB PHE 46 -6.420 -7.691 -5.030 333 2HB PHE 25 2HB PHE 46 -6.355 -5.978 -4.646 334 HD1 PHE 25 HD2 PHE 46 -6.099 -6.314 -8.208 335 HD2 PHE 25 HD1 PHE 46 -8.905 -6.496 -5.001 336 HE1 PHE 25 HE2 PHE 46 -7.913 -5.926 -9.777 337 HE2 PHE 25 HE1 PHE 46 -10.723 -6.109 -6.606 338 HZ PHE 25 HZ PHE 46 -10.218 -5.837 -9.006 339 H TYR 26 H TYR 47 -3.234 -6.049 -7.946 340 HA TYR 26 HA TYR 47 -4.223 -3.294 -8.311 341 1HB TYR 26 1HB TYR 47 -2.205 -3.323 -6.589 342 2HB TYR 26 2HB TYR 47 -1.185 -3.722 -7.964 343 HD1 TYR 26 HD1 TYR 47 -3.653 -1.257 -6.689 344 HD2 TYR 26 HD2 TYR 47 -0.663 -2.002 -9.631 345 HE1 TYR 26 HE1 TYR 47 -3.775 1.083 -7.401 346 HE2 TYR 26 HE2 TYR 47 -0.791 0.341 -10.322 347 HH TYR 26 HH TYR 47 -1.560 2.415 -9.777 348 H THR 27 H THR 48 -4.921 -4.957 -9.838 349 HA THR 27 HA THR 48 -3.071 -5.339 -12.204 350 HB THR 27 HB THR 48 -3.748 -7.410 -11.420 351 HG1 THR 27 HG1 THR 48 -4.522 -8.061 -13.280 352 1HG2 THR 27 1HG2 THR 48 -6.701 -6.590 -11.576 353 2HG2 THR 27 3HG2 THR 48 -6.030 -8.181 -11.271 354 3HG2 THR 27 2HG2 THR 48 -5.781 -6.910 -10.102 355 HA PRO 28 HA PRO 49 -6.457 -2.039 -12.841 356 1HB PRO 28 1HB PRO 49 -4.403 -0.598 -14.507 357 2HB PRO 28 2HB PRO 49 -5.534 -0.001 -13.294 358 1HG PRO 28 2HG PRO 49 -2.934 -0.272 -12.736 359 2HG PRO 28 1HG PRO 49 -4.148 -0.578 -11.491 360 1HD PRO 28 1HD PRO 49 -2.588 -2.596 -13.176 361 2HD PRO 28 2HD PRO 49 -3.055 -2.558 -11.440 362 H LYS 29 H LYS 50 -7.528 -3.562 -13.990 363 HA LYS 29 HA LYS 50 -7.159 -3.608 -16.973 364 1HB LYS 29 1HB LYS 50 -8.341 -5.725 -15.092 365 2HB LYS 29 2HB LYS 50 -8.312 -5.864 -16.831 366 1HG LYS 29 2HG LYS 50 -5.839 -5.749 -16.822 367 2HG LYS 29 1HG LYS 50 -5.814 -5.590 -15.084 368 1HD LYS 29 2HD LYS 50 -5.404 -7.890 -15.381 369 2HD LYS 29 1HD LYS 50 -7.130 -7.851 -15.085 370 1HE LYS 29 2HE LYS 50 -7.629 -8.125 -17.433 371 2HE LYS 29 1HE LYS 50 -5.945 -7.850 -17.883 372 1HZ LYS 29 1HZ LYS 50 -6.043 -9.933 -16.035 373 2HZ LYS 29 3HZ LYS 50 -7.187 -10.256 -17.254 374 3HZ LYS 29 2HZ LYS 50 -5.567 -9.975 -17.668 375 H THR 30 H THR 51 -8.247 -1.552 -15.893 376 HA THR 30 HA THR 51 -11.136 -1.784 -16.494 377 HB THR 30 HB THR 51 -10.938 -1.745 -14.023 378 HG1 THR 30 HG1 THR 51 -11.583 0.838 -14.232 379 1HG2 THR 30 2HG2 THR 51 -8.625 -0.545 -13.911 380 2HG2 THR 30 1HG2 THR 51 -9.443 0.938 -14.393 381 3HG2 THR 30 3HG2 THR 51 -9.842 0.162 -12.869 No H/Q in entry = 381 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -9.508 -7.077 2.142 2 2H GLY 1 3H GLY 1 -9.253 -7.945 0.707 3 3H GLY 1 2H GLY 1 -8.348 -8.317 2.097 4 1HA GLY 1 2HA GLY 1 -6.797 -6.905 1.522 5 2HA GLY 1 1HA GLY 1 -7.714 -6.499 0.079 6 H ILE 2 H ILE 2 -6.428 -4.468 0.796 7 HA ILE 2 HA ILE 2 -8.163 -2.749 2.518 8 HB ILE 2 HB ILE 2 -6.448 -2.444 3.740 9 1HG1 ILE 2 2HG1 ILE 2 -4.188 -1.256 2.637 10 2HG1 ILE 2 1HG1 ILE 2 -5.501 -0.608 1.722 11 1HG2 ILE 2 1HG2 ILE 2 -4.600 -3.755 1.672 12 2HG2 ILE 2 3HG2 ILE 2 -4.065 -3.363 3.297 13 3HG2 ILE 2 2HG2 ILE 2 -5.328 -4.557 3.056 14 1HD1 ILE 2 1HD ILE 2 -5.256 -0.690 4.784 15 2HD1 ILE 2 3HD ILE 2 -5.040 0.748 3.774 16 3HD1 ILE 2 2HD ILE 2 -6.618 0.003 3.916 17 H VAL 3 H VAL 3 -7.872 -0.527 2.160 18 HA VAL 3 HA VAL 3 -8.072 0.180 -0.766 19 HB VAL 3 HB VAL 3 -9.523 2.113 -0.067 20 1HG1 VAL 3 2HG1 VAL 3 -10.617 0.010 -0.703 21 2HG1 VAL 3 1HG1 VAL 3 -10.525 -0.564 0.963 22 3HG1 VAL 3 3HG1 VAL 3 -11.514 0.844 0.557 23 1HG2 VAL 3 2HG2 VAL 3 -9.331 0.857 2.715 24 2HG2 VAL 3 1HG2 VAL 3 -8.646 2.404 2.271 25 3HG2 VAL 3 3HG2 VAL 3 -10.379 2.190 2.294 26 H GLU 4 H GLU 4 -7.868 2.521 -1.142 27 HA GLU 4 HA GLU 4 -6.613 4.589 -0.185 28 1HB GLU 4 1HB GLU 4 -4.777 3.704 0.921 29 2HB GLU 4 2HB GLU 4 -4.338 2.486 -0.199 30 1HG GLU 4 2HG GLU 4 -2.651 4.210 -0.303 31 2HG GLU 4 1HG GLU 4 -3.564 4.557 -1.737 32 H GLN 5 H GLN 5 -5.436 2.536 -2.839 33 HA GLN 5 HA GLN 5 -4.797 3.097 -5.003 34 1HB GLN 5 1HB GLN 5 -7.122 2.568 -5.050 35 2HB GLN 5 2HB GLN 5 -7.608 4.166 -4.546 36 1HG GLN 5 2HG GLN 5 -8.166 3.756 -6.891 37 2HG GLN 5 1HG GLN 5 -6.973 5.018 -6.854 38 1HE2 GLN 5 1HE2 GLN 5 -6.229 1.549 -8.801 39 2HE2 GLN 5 2HE2 GLN 5 -7.740 1.896 -8.098 40 H CYS 6 H CYS 6 -5.227 5.033 -6.708 41 HA CYS 6 HA CYS 6 -3.476 6.668 -7.163 42 1HB CYS 6 1HB CYS 6 -6.356 7.304 -7.268 43 2HB CYS 6 2HB CYS 6 -5.232 8.533 -7.777 44 H CYS 7 H CYS 7 -5.244 7.680 -4.385 45 HA CYS 7 HA CYS 7 -3.979 8.998 -2.699 46 1HB CYS 7 1HB CYS 7 -2.410 10.103 -4.511 47 2HB CYS 7 2HB CYS 7 -3.786 11.010 -5.096 48 H THR 8 H THR 8 -5.928 8.251 -2.414 49 HA THR 8 HA THR 8 -8.166 10.133 -2.913 50 HB THR 8 HB THR 8 -8.227 7.051 -2.575 51 HG1 THR 8 HG1 THR 8 -7.208 7.841 -4.447 52 1HG2 THR 8 1HG2 THR 8 -10.256 9.052 -3.628 53 2HG2 THR 8 3HG2 THR 8 -10.478 7.318 -3.435 54 3HG2 THR 8 2HG2 THR 8 -10.379 8.359 -2.020 55 H SER 9 H SER 9 -6.403 8.217 -0.550 56 HA SER 9 HA SER 9 -8.023 9.517 1.593 57 1HB SER 9 2HB SER 9 -7.533 7.448 2.967 58 2HB SER 9 1HB SER 9 -8.469 7.104 1.515 59 HG SER 9 HG SER 9 -5.951 6.332 2.138 60 H ILE 10 H ILE 10 -4.976 7.831 1.528 61 HA ILE 10 HA ILE 10 -3.586 10.224 2.642 62 HB ILE 10 HB ILE 10 -3.396 7.415 3.887 63 1HG1 ILE 10 2HG1 ILE 10 -4.950 9.885 4.872 64 2HG1 ILE 10 1HG1 ILE 10 -5.693 8.442 4.217 65 1HG2 ILE 10 1HG2 ILE 10 -2.433 10.128 4.904 66 2HG2 ILE 10 3HG2 ILE 10 -2.327 8.616 5.786 67 3HG2 ILE 10 2HG2 ILE 10 -1.378 8.835 4.355 68 1HD1 ILE 10 2HD ILE 10 -4.863 7.089 6.054 69 2HD1 ILE 10 1HD ILE 10 -4.108 8.494 6.793 70 3HD1 ILE 10 3HD ILE 10 -5.849 8.428 6.616 71 H CYS 11 H CYS 11 -3.554 8.851 0.059 72 HA CYS 11 HA CYS 11 -1.985 7.480 -1.287 73 1HB CYS 11 1HB CYS 11 -0.487 9.970 -1.523 74 2HB CYS 11 2HB CYS 11 -1.567 9.211 -2.640 75 H SER 12 H SER 12 -1.057 6.200 0.451 76 HA SER 12 HA SER 12 1.714 6.950 1.155 77 1HB SER 12 2HB SER 12 1.085 5.248 3.156 78 2HB SER 12 1HB SER 12 0.463 6.893 3.155 79 HG SER 12 HG SER 12 -1.449 6.140 2.330 80 H LEU 13 H LEU 13 3.236 5.595 1.178 81 HA LEU 13 HA LEU 13 3.257 3.307 -0.697 82 1HB LEU 13 1HB LEU 13 5.520 4.948 0.499 83 2HB LEU 13 2HB LEU 13 5.782 3.502 -0.433 84 HG LEU 13 HG LEU 13 4.872 4.461 -2.430 85 1HD1 LEU 13 1HD1 LEU 13 4.028 6.851 -0.715 86 2HD1 LEU 13 3HD1 LEU 13 3.941 6.787 -2.471 87 3HD1 LEU 13 2HD1 LEU 13 2.954 5.718 -1.524 88 1HD2 LEU 13 1HD2 LEU 13 7.191 5.140 -1.850 89 2HD2 LEU 13 3HD2 LEU 13 6.371 6.432 -2.719 90 3HD2 LEU 13 2HD2 LEU 13 6.568 6.545 -0.978 91 H TYR 14 H TYR 14 3.629 4.193 2.610 92 HA TYR 14 HA TYR 14 4.850 1.763 3.597 93 1HB TYR 14 1HB TYR 14 5.013 3.992 4.745 94 2HB TYR 14 2HB TYR 14 3.301 3.977 5.107 95 HD1 TYR 14 HD1 TYR 14 2.426 1.844 6.410 96 HD2 TYR 14 HD2 TYR 14 6.524 2.985 6.229 97 HE1 TYR 14 HE1 TYR 14 2.886 0.463 8.344 98 HE2 TYR 14 HE2 TYR 14 6.989 1.586 8.210 99 HH TYR 14 HH TYR 14 6.123 0.192 9.749 100 H GLN 15 H GLN 15 1.796 2.982 2.767 101 HA GLN 15 HA GLN 15 0.135 1.008 4.092 102 1HB GLN 15 1HB GLN 15 -0.564 3.284 3.790 103 2HB GLN 15 2HB GLN 15 -0.216 3.264 2.084 104 1HG GLN 15 2HG GLN 15 -2.452 1.707 3.410 105 2HG GLN 15 1HG GLN 15 -2.634 3.261 2.617 106 1HE2 GLN 15 1HE2 GLN 15 -3.269 0.272 0.280 107 2HE2 GLN 15 2HE2 GLN 15 -3.727 0.512 1.895 108 H LEU 16 H LEU 16 1.824 1.403 1.029 109 HA LEU 16 HA LEU 16 0.323 -0.682 -0.323 110 1HB LEU 16 1HB LEU 16 3.103 0.341 -1.050 111 2HB LEU 16 2HB LEU 16 2.026 -0.592 -2.070 112 HG LEU 16 HG LEU 16 1.393 2.200 -1.071 113 1HD1 LEU 16 2HD1 LEU 16 3.330 2.160 -2.665 114 2HD1 LEU 16 1HD1 LEU 16 2.364 1.218 -3.789 115 3HD1 LEU 16 3HD1 LEU 16 1.929 2.873 -3.434 116 1HD2 LEU 16 1HD2 LEU 16 -0.652 0.862 -1.662 117 2HD2 LEU 16 3HD2 LEU 16 -0.387 2.180 -2.798 118 3HD2 LEU 16 2HD2 LEU 16 0.042 0.537 -3.233 119 H GLU 17 H GLU 17 2.996 -0.391 1.853 120 HA GLU 17 HA GLU 17 4.236 -2.930 1.341 121 1HB GLU 17 1HB GLU 17 4.342 -0.942 3.713 122 2HB GLU 17 2HB GLU 17 5.297 -2.402 3.729 123 1HG GLU 17 2HG GLU 17 6.578 -1.654 1.875 124 2HG GLU 17 1HG GLU 17 5.360 -0.522 1.328 125 H ASN 18 H ASN 18 1.596 -1.883 3.267 126 HA ASN 18 HA ASN 18 1.176 -4.021 5.022 127 1HB ASN 18 1HB ASN 18 -0.082 -1.877 5.087 128 2HB ASN 18 2HB ASN 18 -0.862 -2.289 3.571 129 1HD2 ASN 18 1HD2 ASN 18 -2.519 -3.565 6.970 130 2HD2 ASN 18 2HD2 ASN 18 -1.264 -2.424 6.939 131 H TYR 19 H TYR 19 0.760 -3.926 1.652 132 HA TYR 19 HA TYR 19 -1.158 -5.936 1.180 133 1HB TYR 19 1HB TYR 19 1.170 -4.900 -0.518 134 2HB TYR 19 2HB TYR 19 0.035 -6.090 -1.096 135 HD1 TYR 19 HD1 TYR 19 -0.271 -2.811 0.898 136 HD2 TYR 19 HD2 TYR 19 -1.627 -5.198 -2.374 137 HE1 TYR 19 HE1 TYR 19 -1.829 -1.097 0.297 138 HE2 TYR 19 HE2 TYR 19 -3.205 -3.432 -2.963 139 HH TYR 19 HH TYR 19 -2.977 -0.305 -1.695 140 H CYS 20 H CYS 20 2.320 -6.396 1.735 141 HA CYS 20 HA CYS 20 1.858 -9.351 1.767 142 1HB CYS 20 1HB CYS 20 3.859 -7.777 0.366 143 2HB CYS 20 2HB CYS 20 4.259 -9.408 0.908 144 H ASN 21 H ASN 21 3.465 -6.553 3.102 145 HA ASN 21 HA ASN 21 4.530 -8.178 5.358 146 1HB ASN 21 1HB ASN 21 5.589 -5.629 4.076 147 2HB ASN 21 2HB ASN 21 6.295 -6.388 5.503 148 1HD2 ASN 21 1HD2 ASN 21 6.937 -7.921 1.761 149 2HD2 ASN 21 2HD2 ASN 21 5.807 -6.686 2.018 150 1H PHE 1 1H PHE 22 4.125 8.888 3.554 151 2H PHE 1 3H PHE 22 2.842 8.761 4.667 152 3H PHE 1 2H PHE 22 2.888 7.739 3.320 153 HA PHE 1 HA PHE 22 1.738 9.145 2.147 154 1HB PHE 1 2HB PHE 22 0.929 9.853 4.493 155 2HB PHE 1 1HB PHE 22 2.041 11.200 4.368 156 HD1 PHE 1 HD2 PHE 22 0.741 10.596 1.059 157 HD2 PHE 1 HD1 PHE 22 -0.347 12.276 4.844 158 HE1 PHE 1 HE2 PHE 22 -1.010 11.860 0.002 159 HE2 PHE 1 HE1 PHE 22 -2.116 13.547 3.729 160 HZ PHE 1 HZ PHE 22 -2.447 13.347 1.313 161 H VAL 2 H VAL 23 2.379 10.248 0.450 162 HA VAL 2 HA VAL 23 4.722 12.097 0.635 163 HB VAL 2 HB VAL 23 5.216 11.307 -1.745 164 1HG1 VAL 2 1HG1 VAL 23 5.172 9.195 0.481 165 2HG1 VAL 2 3HG1 VAL 23 6.199 9.143 -0.951 166 3HG1 VAL 2 2HG1 VAL 23 6.437 10.386 0.266 167 1HG2 VAL 2 1HG2 VAL 23 2.910 10.353 -2.219 168 2HG2 VAL 2 3HG2 VAL 23 4.175 9.160 -2.416 169 3HG2 VAL 2 2HG2 VAL 23 3.183 9.146 -0.972 170 H ASN 3 H ASN 24 4.866 13.524 -1.352 171 HA ASN 3 HA ASN 24 2.184 14.649 -2.074 172 1HB ASN 3 1HB ASN 24 3.381 16.905 -2.016 173 2HB ASN 3 2HB ASN 24 3.311 16.131 -0.441 174 1HD2 ASN 3 1HD2 ASN 24 6.816 15.625 -0.208 175 2HD2 ASN 3 2HD2 ASN 24 5.286 15.222 0.418 176 H GLN 4 H GLN 25 2.800 12.890 -3.822 177 HA GLN 4 HA GLN 25 4.177 14.315 -6.004 178 1HB GLN 4 1HB GLN 25 5.509 12.469 -4.939 179 2HB GLN 4 2HB GLN 25 4.223 11.345 -5.273 180 1HG GLN 4 2HG GLN 25 4.675 11.329 -7.647 181 2HG GLN 4 1HG GLN 25 5.651 12.799 -7.515 182 1HE2 GLN 4 1HE2 GLN 25 8.431 10.641 -7.488 183 2HE2 GLN 4 2HE2 GLN 25 7.568 11.867 -8.283 184 H HIS 5 H HIS 26 3.499 12.496 -8.107 185 HA HIS 5 HA HIS 26 0.545 12.710 -8.301 186 1HB HIS 5 1HB HIS 26 2.764 12.693 -10.413 187 2HB HIS 5 2HB HIS 26 1.052 12.814 -10.783 188 HD1 HIS 5 HD1 HIS 26 -0.071 15.085 -9.813 189 HD2 HIS 5 HD2 HIS 26 4.017 15.081 -9.778 190 HE1 HIS 5 HE1 HIS 26 0.620 17.423 -9.513 191 H LEU 6 H LEU 27 1.017 10.622 -6.878 192 HA LEU 6 HA LEU 27 1.766 8.251 -8.474 193 1HB LEU 6 1HB LEU 27 0.893 8.458 -5.584 194 2HB LEU 6 2HB LEU 27 1.517 7.019 -6.343 195 HG LEU 6 HG LEU 27 3.024 9.621 -5.845 196 1HD1 LEU 6 2HD1 LEU 27 2.690 8.167 -3.868 197 2HD1 LEU 6 1HD1 LEU 27 3.351 6.801 -4.757 198 3HD1 LEU 6 3HD1 LEU 27 4.388 8.144 -4.358 199 1HD2 LEU 6 2HD2 LEU 27 4.022 7.059 -7.165 200 2HD2 LEU 6 1HD2 LEU 27 3.807 8.592 -7.992 201 3HD2 LEU 6 3HD2 LEU 27 5.023 8.437 -6.739 202 H CYS 7 H CYS 28 -0.037 8.177 -9.971 203 HA CYS 7 HA CYS 28 -2.501 7.130 -8.640 204 1HB CYS 7 1HB CYS 28 -2.820 9.340 -9.554 205 2HB CYS 7 2HB CYS 28 -2.392 8.774 -11.147 206 H GLY 8 H GLY 29 -1.191 5.128 -8.921 207 1HA GLY 8 1HA GLY 29 -1.830 2.985 -9.704 208 2HA GLY 8 2HA GLY 29 -2.305 3.588 -11.229 209 H SER 9 H SER 30 0.070 4.591 -12.439 210 HA SER 9 HA SER 30 1.682 2.576 -13.085 211 1HB SER 9 2HB SER 30 3.330 4.296 -13.746 212 2HB SER 9 1HB SER 30 1.654 4.817 -14.024 213 HG SER 9 HG SER 30 3.482 5.861 -12.324 214 H HIS 10 H HIS 31 2.189 4.499 -10.316 215 HA HIS 10 HA HIS 31 4.701 3.175 -9.567 216 1HB HIS 10 1HB HIS 31 3.265 5.668 -8.583 217 2HB HIS 10 2HB HIS 31 4.788 5.140 -7.926 218 HD1 HIS 10 HD1 HIS 31 4.939 7.735 -9.302 219 HD2 HIS 10 HD2 HIS 31 5.343 4.294 -11.471 220 HE1 HIS 10 HE1 HIS 31 6.091 8.349 -11.397 221 H LEU 11 H LEU 32 1.367 3.388 -8.500 222 HA LEU 11 HA LEU 32 1.982 2.237 -5.892 223 1HB LEU 11 1HB LEU 32 -0.727 2.204 -7.373 224 2HB LEU 11 2HB LEU 32 -0.448 2.023 -5.664 225 HG LEU 11 HG LEU 32 0.326 4.578 -7.146 226 1HD1 LEU 11 1HD1 LEU 32 -2.216 3.926 -5.614 227 2HD1 LEU 11 3HD1 LEU 32 -1.770 5.500 -6.262 228 3HD1 LEU 11 2HD1 LEU 32 -2.089 4.158 -7.346 229 1HD2 LEU 11 2HD2 LEU 32 -0.141 3.986 -4.200 230 2HD2 LEU 11 1HD2 LEU 32 1.433 4.226 -4.943 231 3HD2 LEU 11 3HD2 LEU 32 0.278 5.546 -4.869 232 H VAL 12 H VAL 33 1.434 1.222 -9.136 233 HA VAL 12 HA VAL 33 0.996 -1.599 -8.571 234 HB VAL 12 HB VAL 33 1.491 0.079 -11.078 235 1HG1 VAL 12 2HG1 VAL 33 2.476 -2.229 -11.423 236 2HG1 VAL 12 1HG1 VAL 33 0.945 -2.938 -10.933 237 3HG1 VAL 12 3HG1 VAL 33 1.046 -1.987 -12.409 238 1HG2 VAL 12 2HG2 VAL 33 -0.886 -1.536 -10.068 239 2HG2 VAL 12 1HG2 VAL 33 -0.754 0.212 -9.996 240 3HG2 VAL 12 3HG2 VAL 33 -0.851 -0.587 -11.550 241 H GLU 13 H GLU 34 3.664 0.331 -10.089 242 HA GLU 13 HA GLU 34 5.480 -1.888 -10.114 243 1HB GLU 13 1HB GLU 34 5.681 0.523 -11.173 244 2HB GLU 13 2HB GLU 34 6.591 0.880 -9.706 245 1HG GLU 13 2HG GLU 34 7.217 -1.460 -11.512 246 2HG GLU 13 1HG GLU 34 8.067 0.074 -11.570 247 H ALA 14 H ALA 35 4.626 0.337 -7.542 248 HA ALA 14 HA ALA 35 6.813 -0.432 -5.773 249 1HB ALA 14 1HB ALA 35 4.237 1.072 -5.166 250 2HB ALA 14 3HB ALA 35 5.603 0.913 -4.070 251 3HB ALA 14 2HB ALA 35 5.791 1.799 -5.564 252 H LEU 15 H LEU 36 3.288 -1.185 -5.754 253 HA LEU 15 HA LEU 36 3.462 -2.817 -3.442 254 1HB LEU 15 1HB LEU 36 1.368 -1.886 -4.153 255 2HB LEU 15 2HB LEU 36 1.391 -2.521 -5.750 256 HG LEU 15 HG LEU 36 0.838 -3.944 -3.117 257 1HD1 LEU 15 1HD1 LEU 36 -0.764 -3.390 -5.660 258 2HD1 LEU 15 3HD1 LEU 36 -1.378 -4.314 -4.317 259 3HD1 LEU 15 2HD1 LEU 36 -1.012 -2.607 -4.112 260 1HD2 LEU 15 2HD2 LEU 36 0.834 -5.257 -5.886 261 2HD2 LEU 15 1HD2 LEU 36 1.977 -5.672 -4.610 262 3HD2 LEU 15 3HD2 LEU 36 0.292 -5.948 -4.373 263 H TYR 16 H TYR 37 3.879 -3.504 -6.841 264 HA TYR 16 HA TYR 37 4.090 -6.321 -6.503 265 1HB TYR 16 1HB TYR 37 4.956 -4.425 -8.724 266 2HB TYR 16 2HB TYR 37 5.081 -6.134 -8.817 267 HD1 TYR 16 HD2 TYR 37 2.092 -4.208 -7.404 268 HD2 TYR 16 HD1 TYR 37 3.662 -6.647 -10.538 269 HE1 TYR 16 HE2 TYR 37 -0.125 -4.407 -8.361 270 HE2 TYR 16 HE1 TYR 37 1.403 -6.826 -11.495 271 HH TYR 16 HH TYR 37 -1.434 -5.473 -9.891 272 H LEU 17 H LEU 38 6.469 -3.658 -6.321 273 HA LEU 17 HA LEU 38 8.813 -5.349 -6.350 274 1HB LEU 17 1HB LEU 38 8.929 -2.980 -7.045 275 2HB LEU 17 2HB LEU 38 8.338 -2.423 -5.512 276 HG LEU 17 HG LEU 38 10.835 -2.099 -6.002 277 1HD1 LEU 17 1HD1 LEU 38 10.119 -3.507 -3.403 278 2HD1 LEU 17 3HD1 LEU 38 11.569 -2.576 -3.700 279 3HD1 LEU 17 2HD1 LEU 38 9.999 -1.802 -3.752 280 1HD2 LEU 17 2HD2 LEU 38 10.982 -5.092 -5.474 281 2HD2 LEU 17 1HD2 LEU 38 11.401 -4.270 -6.969 282 3HD2 LEU 17 3HD2 LEU 38 12.352 -4.005 -5.540 283 H VAL 18 H VAL 39 6.547 -4.295 -3.929 284 HA VAL 18 HA VAL 39 8.291 -5.116 -1.704 285 HB VAL 18 HB VAL 39 5.422 -4.091 -1.732 286 1HG1 VAL 18 1HG1 VAL 39 7.463 -4.402 0.522 287 2HG1 VAL 18 3HG1 VAL 39 5.881 -3.666 0.669 288 3HG1 VAL 18 2HG1 VAL 39 6.008 -5.373 0.329 289 1HG2 VAL 18 1HG2 VAL 39 7.146 -2.469 -2.603 290 2HG2 VAL 18 3HG2 VAL 39 6.463 -1.943 -1.080 291 3HG2 VAL 18 2HG2 VAL 39 8.066 -2.672 -1.137 292 H CYS 19 H CYS 40 5.286 -6.289 -3.213 293 HA CYS 19 HA CYS 40 4.853 -8.448 -1.353 294 1HB CYS 19 1HB CYS 40 3.580 -7.412 -3.811 295 2HB CYS 19 2HB CYS 40 3.403 -9.125 -3.531 296 H GLY 20 H GLY 41 6.198 -8.411 -4.697 297 1HA GLY 20 1HA GLY 41 7.741 -9.983 -5.602 298 2HA GLY 20 2HA GLY 41 7.598 -10.935 -4.117 299 H GLU 21 H GLU 42 4.757 -9.739 -5.548 300 HA GLU 21 HA GLU 42 2.884 -10.659 -6.495 301 1HB GLU 21 1HB GLU 42 5.036 -12.349 -7.877 302 2HB GLU 21 2HB GLU 42 3.343 -12.413 -8.316 303 1HG GLU 21 2HG GLU 42 4.636 -10.834 -9.768 304 2HG GLU 21 1HG GLU 42 3.331 -10.031 -8.930 305 H ARG 22 H ARG 43 3.012 -11.256 -4.135 306 HA ARG 22 HA ARG 43 2.303 -14.144 -3.766 307 1HB ARG 22 1HB ARG 43 4.315 -13.406 -2.352 308 2HB ARG 22 2HB ARG 43 3.320 -12.114 -1.701 309 1HG ARG 22 2HG ARG 43 1.707 -13.863 -0.812 310 2HG ARG 22 1HG ARG 43 2.850 -15.097 -1.300 311 1HD ARG 22 2HD ARG 43 4.504 -14.314 0.318 312 2HD ARG 22 1HD ARG 43 3.634 -12.803 0.565 313 HE ARG 22 HE ARG 43 1.786 -14.191 1.579 314 1HH1 ARG 22 2HH1 ARG 43 2.328 -16.893 1.448 315 2HH1 ARG 22 1HH1 ARG 43 3.341 -17.258 2.807 316 1HH2 ARG 22 2HH2 ARG 43 4.235 -13.898 3.270 317 2HH2 ARG 22 1HH2 ARG 43 4.453 -15.501 3.889 318 H GLY 23 H GLY 44 0.311 -14.435 -3.086 319 1HA GLY 23 1HA GLY 44 -2.026 -13.688 -3.327 320 2HA GLY 23 2HA GLY 44 -1.570 -13.742 -1.673 321 H PHE 24 H PHE 45 -1.432 -10.956 -4.177 322 HA PHE 24 HA PHE 45 -2.473 -9.355 -1.937 323 1HB PHE 24 1HB PHE 45 -0.874 -7.560 -2.739 324 2HB PHE 24 2HB PHE 45 -0.083 -9.069 -2.791 325 HD1 PHE 24 HD1 PHE 45 -2.298 -7.418 -5.382 326 HD2 PHE 24 HD2 PHE 45 1.498 -9.091 -4.443 327 HE1 PHE 24 HE1 PHE 45 -1.575 -7.040 -7.676 328 HE2 PHE 24 HE2 PHE 45 2.220 -8.709 -6.747 329 HZ PHE 24 HZ PHE 45 0.705 -7.696 -8.372 330 H PHE 25 H PHE 46 -3.632 -7.195 -3.494 331 HA PHE 25 HA PHE 46 -5.430 -8.514 -5.428 332 1HB PHE 25 1HB PHE 46 -7.330 -7.391 -4.247 333 2HB PHE 25 2HB PHE 46 -6.294 -8.078 -3.031 334 HD1 PHE 25 HD2 PHE 46 -7.095 -4.887 -4.770 335 HD2 PHE 25 HD1 PHE 46 -5.037 -6.697 -1.483 336 HE1 PHE 25 HE2 PHE 46 -6.659 -2.682 -3.822 337 HE2 PHE 25 HE1 PHE 46 -4.616 -4.472 -0.552 338 HZ PHE 25 HZ PHE 46 -5.436 -2.469 -1.718 339 H TYR 26 H TYR 47 -6.278 -7.025 -6.947 340 HA TYR 26 HA TYR 47 -6.461 -4.805 -7.984 341 1HB TYR 26 1HB TYR 47 -4.517 -3.798 -6.554 342 2HB TYR 26 2HB TYR 47 -3.403 -4.654 -7.605 343 HD1 TYR 26 HD1 TYR 47 -6.287 -2.238 -7.756 344 HD2 TYR 26 HD2 TYR 47 -2.661 -3.576 -9.570 345 HE1 TYR 26 HE1 TYR 47 -6.383 -0.383 -9.331 346 HE2 TYR 26 HE2 TYR 47 -2.789 -1.717 -11.156 347 HH TYR 26 HH TYR 47 -5.542 0.270 -11.500 348 H THR 27 H THR 48 -6.891 -6.889 -9.141 349 HA THR 27 HA THR 48 -4.875 -7.429 -11.306 350 HB THR 27 HB THR 48 -5.715 -9.750 -11.346 351 HG1 THR 27 HG1 THR 48 -7.693 -9.836 -10.623 352 1HG2 THR 27 2HG2 THR 48 -3.984 -9.071 -9.538 353 2HG2 THR 27 1HG2 THR 48 -5.334 -8.810 -8.441 354 3HG2 THR 27 3HG2 THR 48 -5.018 -10.412 -9.071 355 HA PRO 28 HA PRO 49 -9.062 -5.050 -12.238 356 1HB PRO 28 1HB PRO 49 -7.375 -4.709 -14.726 357 2HB PRO 28 2HB PRO 49 -8.680 -3.693 -14.108 358 1HG PRO 28 2HG PRO 49 -6.157 -3.107 -13.440 359 2HG PRO 28 1HG PRO 49 -7.431 -2.944 -12.229 360 1HD PRO 28 1HD PRO 49 -5.292 -4.893 -12.530 361 2HD PRO 28 2HD PRO 49 -6.188 -4.544 -11.005 362 H LYS 29 H LYS 50 -10.547 -6.602 -12.254 363 HA LYS 29 HA LYS 50 -10.786 -8.506 -14.535 364 1HB LYS 29 1HB LYS 50 -11.096 -9.518 -12.321 365 2HB LYS 29 2HB LYS 50 -12.197 -8.244 -11.813 366 1HG LYS 29 2HG LYS 50 -13.839 -9.045 -13.547 367 2HG LYS 29 1HG LYS 50 -12.698 -10.294 -14.019 368 1HD LYS 29 2HD LYS 50 -12.894 -11.371 -11.750 369 2HD LYS 29 1HD LYS 50 -14.028 -10.119 -11.255 370 1HE LYS 29 2HE LYS 50 -15.688 -10.824 -12.838 371 2HE LYS 29 1HE LYS 50 -14.546 -11.833 -13.712 372 1HZ LYS 29 1HZ LYS 50 -14.670 -12.725 -11.045 373 2HZ LYS 29 3HZ LYS 50 -16.250 -12.558 -11.647 374 3HZ LYS 29 2HZ LYS 50 -15.138 -13.516 -12.471 375 H THR 30 H THR 51 -11.782 -7.699 -16.180 376 HA THR 30 HA THR 51 -14.003 -5.728 -15.823 377 HB THR 30 HB THR 51 -11.967 -5.907 -18.128 378 HG1 THR 30 HG1 THR 51 -11.947 -3.724 -16.529 379 1HG2 THR 30 1HG2 THR 51 -13.887 -3.636 -17.334 380 2HG2 THR 30 3HG2 THR 51 -12.773 -3.647 -18.683 381 3HG2 THR 30 2HG2 THR 51 -14.173 -4.701 -18.714 No H/Q in entry = 381 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -6.990 4.730 0.684 2 2H GLY 1 3H GLY 1 -8.631 4.688 1.100 3 3H GLY 1 2H GLY 1 -7.512 5.575 2.021 4 1HA GLY 1 2HA GLY 1 -7.235 3.877 3.364 5 2HA GLY 1 1HA GLY 1 -8.327 2.914 2.372 6 H ILE 2 H ILE 2 -7.308 2.207 0.256 7 HA ILE 2 HA ILE 2 -4.577 1.045 0.709 8 HB ILE 2 HB ILE 2 -6.620 0.010 -1.319 9 1HG1 ILE 2 2HG1 ILE 2 -7.081 -1.831 0.612 10 2HG1 ILE 2 1HG1 ILE 2 -6.466 -0.614 1.692 11 1HG2 ILE 2 2HG2 ILE 2 -4.329 -0.970 -1.412 12 2HG2 ILE 2 1HG2 ILE 2 -4.483 -1.416 0.276 13 3HG2 ILE 2 3HG2 ILE 2 -5.533 -2.135 -0.925 14 1HD1 ILE 2 2HD ILE 2 -8.399 0.898 1.079 15 2HD1 ILE 2 1HD ILE 2 -8.952 -0.318 -0.047 16 3HD1 ILE 2 3HD ILE 2 -8.921 -0.654 1.670 17 H VAL 3 H VAL 3 -3.993 0.568 -1.913 18 HA VAL 3 HA VAL 3 -3.880 3.328 -3.078 19 HB VAL 3 HB VAL 3 -1.862 2.436 -4.377 20 1HG1 VAL 3 1HG1 VAL 3 -1.731 2.367 -1.384 21 2HG1 VAL 3 3HG1 VAL 3 -0.390 2.572 -2.483 22 3HG1 VAL 3 2HG1 VAL 3 -1.633 3.795 -2.414 23 1HG2 VAL 3 2HG2 VAL 3 -2.141 0.047 -2.510 24 2HG2 VAL 3 1HG2 VAL 3 -2.379 0.014 -4.234 25 3HG2 VAL 3 3HG2 VAL 3 -0.792 0.386 -3.589 26 H GLU 4 H GLU 4 -3.131 2.994 -5.410 27 HA GLU 4 HA GLU 4 -3.405 2.248 -7.561 28 1HB GLU 4 1HB GLU 4 -5.684 0.557 -6.410 29 2HB GLU 4 2HB GLU 4 -5.909 1.285 -7.931 30 1HG GLU 4 2HG GLU 4 -4.911 -0.987 -8.136 31 2HG GLU 4 1HG GLU 4 -3.814 0.215 -8.784 32 H GLN 5 H GLN 5 -6.039 3.569 -5.727 33 HA GLN 5 HA GLN 5 -6.893 5.274 -8.027 34 1HB GLN 5 1HB GLN 5 -8.675 4.186 -6.635 35 2HB GLN 5 2HB GLN 5 -8.077 5.003 -5.219 36 1HG GLN 5 2HG GLN 5 -8.480 7.245 -6.590 37 2HG GLN 5 1HG GLN 5 -9.366 6.239 -7.708 38 1HE2 GLN 5 1HE2 GLN 5 -12.252 6.170 -5.726 39 2HE2 GLN 5 2HE2 GLN 5 -11.517 5.763 -7.203 40 H CYS 6 H CYS 6 -5.069 6.396 -8.115 41 HA CYS 6 HA CYS 6 -3.289 7.744 -7.323 42 1HB CYS 6 1HB CYS 6 -5.759 9.404 -7.602 43 2HB CYS 6 2HB CYS 6 -4.152 10.030 -7.553 44 H CYS 7 H CYS 7 -3.024 6.974 -5.125 45 HA CYS 7 HA CYS 7 -2.770 7.235 -2.831 46 1HB CYS 7 1HB CYS 7 -1.165 8.888 -3.932 47 2HB CYS 7 2HB CYS 7 -2.366 10.123 -3.650 48 H THR 8 H THR 8 -5.090 7.003 -3.275 49 HA THR 8 HA THR 8 -7.296 8.342 -2.942 50 HB THR 8 HB THR 8 -8.105 6.646 -1.182 51 HG1 THR 8 HG1 THR 8 -5.877 5.214 -1.019 52 1HG2 THR 8 2HG2 THR 8 -7.819 6.017 -3.599 53 2HG2 THR 8 1HG2 THR 8 -6.179 5.469 -3.269 54 3HG2 THR 8 3HG2 THR 8 -7.543 4.661 -2.527 55 H SER 9 H SER 9 -5.403 7.832 -0.082 56 HA SER 9 HA SER 9 -6.437 10.345 1.116 57 1HB SER 9 2HB SER 9 -6.346 9.061 3.351 58 2HB SER 9 1HB SER 9 -7.458 8.388 2.170 59 HG SER 9 HG SER 9 -5.805 6.994 1.464 60 H ILE 10 H ILE 10 -3.848 8.172 2.016 61 HA ILE 10 HA ILE 10 -1.904 10.448 1.750 62 HB ILE 10 HB ILE 10 -2.102 8.711 4.263 63 1HG1 ILE 10 2HG1 ILE 10 -3.048 11.587 3.799 64 2HG1 ILE 10 1HG1 ILE 10 -4.094 10.204 4.012 65 1HG2 ILE 10 1HG2 ILE 10 -0.489 11.276 3.755 66 2HG2 ILE 10 3HG2 ILE 10 -0.604 10.450 5.288 67 3HG2 ILE 10 2HG2 ILE 10 0.210 9.677 3.965 68 1HD1 ILE 10 2HD ILE 10 -3.257 9.880 6.318 69 2HD1 ILE 10 1HD ILE 10 -2.230 11.295 6.146 70 3HD1 ILE 10 3HD ILE 10 -3.959 11.471 6.060 71 H CYS 11 H CYS 11 -2.350 7.312 0.858 72 HA CYS 11 HA CYS 11 -0.855 5.452 0.596 73 1HB CYS 11 1HB CYS 11 0.360 5.923 -1.487 74 2HB CYS 11 2HB CYS 11 -1.254 6.546 -1.509 75 H SER 12 H SER 12 0.332 5.387 2.683 76 HA SER 12 HA SER 12 3.051 6.503 2.716 77 1HB SER 12 2HB SER 12 2.941 5.901 5.181 78 2HB SER 12 1HB SER 12 1.466 6.742 4.696 79 HG SER 12 HG SER 12 1.164 4.183 4.086 80 H LEU 13 H LEU 13 4.743 5.326 2.920 81 HA LEU 13 HA LEU 13 5.221 3.041 1.492 82 1HB LEU 13 1HB LEU 13 7.030 3.176 3.861 83 2HB LEU 13 2HB LEU 13 7.373 3.105 2.175 84 HG LEU 13 HG LEU 13 6.554 5.624 2.109 85 1HD1 LEU 13 1HD1 LEU 13 7.272 5.274 5.055 86 2HD1 LEU 13 3HD1 LEU 13 7.035 6.813 4.244 87 3HD1 LEU 13 2HD1 LEU 13 5.685 5.712 4.469 88 1HD2 LEU 13 2HD2 LEU 13 9.187 4.836 3.436 89 2HD2 LEU 13 1HD2 LEU 13 8.924 4.909 1.704 90 3HD2 LEU 13 3HD2 LEU 13 8.878 6.376 2.648 91 H TYR 14 H TYR 14 4.285 2.909 4.860 92 HA TYR 14 HA TYR 14 4.885 0.032 5.009 93 1HB TYR 14 1HB TYR 14 4.743 1.682 7.050 94 2HB TYR 14 2HB TYR 14 3.010 1.478 6.972 95 HD1 TYR 14 HD1 TYR 14 6.190 -0.236 7.629 96 HD2 TYR 14 HD2 TYR 14 1.950 -0.694 7.496 97 HE1 TYR 14 HE1 TYR 14 6.369 -2.345 8.849 98 HE2 TYR 14 HE2 TYR 14 2.125 -2.784 8.702 99 HH TYR 14 HH TYR 14 3.627 -4.061 10.074 100 H GLN 15 H GLN 15 2.163 2.110 4.214 101 HA GLN 15 HA GLN 15 0.109 0.131 4.316 102 1HB GLN 15 1HB GLN 15 -0.123 2.730 3.985 103 2HB GLN 15 2HB GLN 15 0.240 2.453 2.287 104 1HG GLN 15 2HG GLN 15 -1.691 0.909 2.124 105 2HG GLN 15 1HG GLN 15 -2.165 1.403 3.748 106 1HE2 GLN 15 1HE2 GLN 15 -3.051 3.769 0.650 107 2HE2 GLN 15 2HE2 GLN 15 -2.566 2.135 0.525 108 H LEU 16 H LEU 16 2.725 0.934 2.068 109 HA LEU 16 HA LEU 16 1.726 -0.774 -0.082 110 1HB LEU 16 1HB LEU 16 3.236 1.331 -0.271 111 2HB LEU 16 2HB LEU 16 4.598 0.388 0.244 112 HG LEU 16 HG LEU 16 4.174 -1.191 -1.646 113 1HD1 LEU 16 1HD1 LEU 16 2.276 1.067 -2.541 114 2HD1 LEU 16 3HD1 LEU 16 2.767 -0.266 -3.566 115 3HD1 LEU 16 2HD1 LEU 16 1.776 -0.569 -2.169 116 1HD2 LEU 16 1HD2 LEU 16 5.885 0.665 -1.726 117 2HD2 LEU 16 3HD2 LEU 16 5.197 0.373 -3.309 118 3HD2 LEU 16 2HD2 LEU 16 4.655 1.747 -2.366 119 H GLU 17 H GLU 17 3.890 -1.063 2.675 120 HA GLU 17 HA GLU 17 4.832 -3.709 1.940 121 1HB GLU 17 1HB GLU 17 4.868 -2.294 4.635 122 2HB GLU 17 2HB GLU 17 5.771 -3.747 4.242 123 1HG GLU 17 2HG GLU 17 7.134 -2.549 2.602 124 2HG GLU 17 1HG GLU 17 6.169 -1.100 2.787 125 H ASN 18 H ASN 18 1.920 -2.520 3.317 126 HA ASN 18 HA ASN 18 1.478 -4.991 4.860 127 1HB ASN 18 1HB ASN 18 0.479 -2.617 5.421 128 2HB ASN 18 2HB ASN 18 -0.753 -3.033 4.237 129 1HD2 ASN 18 1HD2 ASN 18 -2.463 -5.034 6.565 130 2HD2 ASN 18 2HD2 ASN 18 -2.530 -4.060 5.176 131 H TYR 19 H TYR 19 1.782 -4.657 1.810 132 HA TYR 19 HA TYR 19 -0.608 -6.239 0.930 133 1HB TYR 19 1HB TYR 19 1.508 -4.799 -0.730 134 2HB TYR 19 2HB TYR 19 0.042 -5.545 -1.345 135 HD1 TYR 19 HD2 TYR 19 -1.719 -4.350 1.103 136 HD2 TYR 19 HD1 TYR 19 0.960 -2.679 -1.763 137 HE1 TYR 19 HE2 TYR 19 -2.858 -2.216 1.269 138 HE2 TYR 19 HE1 TYR 19 -0.213 -0.537 -1.588 139 HH TYR 19 HH TYR 19 -1.655 0.614 -0.565 140 H CYS 20 H CYS 20 2.364 -6.675 2.151 141 HA CYS 20 HA CYS 20 3.064 -8.993 0.415 142 1HB CYS 20 1HB CYS 20 4.949 -7.657 2.394 143 2HB CYS 20 2HB CYS 20 5.293 -8.560 0.965 144 H ASN 21 H ASN 21 2.332 -7.912 3.700 145 HA ASN 21 HA ASN 21 2.152 -10.756 4.566 146 1HB ASN 21 1HB ASN 21 2.964 -10.076 6.807 147 2HB ASN 21 2HB ASN 21 4.190 -9.743 5.597 148 1HD2 ASN 21 1HD2 ASN 21 2.644 -6.147 6.241 149 2HD2 ASN 21 2HD2 ASN 21 1.924 -7.271 5.195 150 1H PHE 1 1H PHE 22 6.638 8.927 4.133 151 2H PHE 1 3H PHE 22 6.543 8.925 5.826 152 3H PHE 1 2H PHE 22 5.492 7.947 4.920 153 HA PHE 1 HA PHE 22 4.028 9.548 4.791 154 1HB PHE 1 2HB PHE 22 4.716 10.219 7.009 155 2HB PHE 1 1HB PHE 22 6.125 11.087 6.409 156 HD1 PHE 1 HD2 PHE 22 2.405 11.040 5.687 157 HD2 PHE 1 HD1 PHE 22 5.885 13.393 6.426 158 HE1 PHE 1 HE2 PHE 22 1.070 13.086 5.475 159 HE2 PHE 1 HE1 PHE 22 4.547 15.435 6.209 160 HZ PHE 1 HZ PHE 22 2.128 15.291 5.736 161 H VAL 2 H VAL 23 3.991 9.818 2.578 162 HA VAL 2 HA VAL 23 5.462 12.195 1.477 163 HB VAL 2 HB VAL 23 5.375 11.044 -0.738 164 1HG1 VAL 2 1HG1 VAL 23 6.698 9.410 1.479 165 2HG1 VAL 2 3HG1 VAL 23 7.121 9.341 -0.228 166 3HG1 VAL 2 2HG1 VAL 23 7.376 10.820 0.680 167 1HG2 VAL 2 2HG2 VAL 23 4.280 8.660 0.835 168 2HG2 VAL 2 1HG2 VAL 23 3.391 9.588 -0.359 169 3HG2 VAL 2 3HG2 VAL 23 4.757 8.624 -0.853 170 H ASN 3 H ASN 24 4.324 13.369 -0.154 171 HA ASN 3 HA ASN 24 1.346 13.047 -0.214 172 1HB ASN 3 1HB ASN 24 2.187 14.623 1.616 173 2HB ASN 3 2HB ASN 24 2.834 15.658 0.365 174 1HD2 ASN 3 1HD2 ASN 24 -1.103 15.734 -0.327 175 2HD2 ASN 3 2HD2 ASN 24 -0.095 14.489 -0.884 176 H GLN 4 H GLN 25 3.156 12.252 -2.057 177 HA GLN 4 HA GLN 25 3.200 14.214 -4.335 178 1HB GLN 4 1HB GLN 25 5.323 13.386 -3.754 179 2HB GLN 4 2HB GLN 25 4.793 11.723 -3.633 180 1HG GLN 4 2HG GLN 25 4.570 11.658 -6.157 181 2HG GLN 4 1HG GLN 25 5.027 13.341 -6.236 182 1HE2 GLN 4 1HE2 GLN 25 8.397 12.292 -6.411 183 2HE2 GLN 4 2HE2 GLN 25 7.194 13.344 -6.976 184 H HIS 5 H HIS 26 0.583 13.143 -3.777 185 HA HIS 5 HA HIS 26 -0.661 11.068 -4.403 186 1HB HIS 5 1HB HIS 26 -1.137 13.673 -5.929 187 2HB HIS 5 2HB HIS 26 -2.264 12.333 -5.911 188 HD1 HIS 5 HD1 HIS 26 -3.939 13.798 -4.651 189 HD2 HIS 5 HD2 HIS 26 -0.550 13.209 -2.452 190 HE1 HIS 5 HE1 HIS 26 -4.452 14.528 -2.331 191 H LEU 6 H LEU 27 0.711 9.825 -5.165 192 HA LEU 6 HA LEU 27 1.493 9.580 -8.007 193 1HB LEU 6 1HB LEU 27 1.460 7.300 -5.944 194 2HB LEU 6 2HB LEU 27 2.348 7.333 -7.441 195 HG LEU 6 HG LEU 27 3.423 9.520 -6.283 196 1HD1 LEU 6 2HD1 LEU 27 2.019 9.272 -4.163 197 2HD1 LEU 6 1HD1 LEU 27 2.680 7.666 -3.960 198 3HD1 LEU 6 3HD1 LEU 27 3.726 9.068 -3.835 199 1HD2 LEU 6 1HD2 LEU 27 4.682 7.520 -7.081 200 2HD2 LEU 6 3HD2 LEU 27 5.276 8.080 -5.528 201 3HD2 LEU 6 2HD2 LEU 27 4.238 6.658 -5.610 202 H CYS 7 H CYS 28 0.477 8.249 -9.589 203 HA CYS 7 HA CYS 28 -2.251 7.310 -8.827 204 1HB CYS 7 1HB CYS 28 -1.164 8.474 -11.368 205 2HB CYS 7 2HB CYS 28 -2.692 7.647 -11.348 206 H GLY 8 H GLY 29 -2.994 5.521 -9.259 207 1HA GLY 8 1HA GLY 29 -2.370 3.194 -9.013 208 2HA GLY 8 2HA GLY 29 -3.288 3.412 -10.450 209 H SER 9 H SER 30 -1.235 4.003 -12.395 210 HA SER 9 HA SER 30 -0.020 1.559 -12.851 211 1HB SER 9 2HB SER 30 0.696 4.362 -13.817 212 2HB SER 9 1HB SER 30 1.418 2.896 -14.505 213 HG SER 9 HG SER 30 -1.062 3.900 -14.830 214 H HIS 10 H HIS 31 1.316 4.050 -10.887 215 HA HIS 10 HA HIS 31 3.954 2.717 -10.738 216 1HB HIS 10 1HB HIS 31 3.019 5.374 -9.577 217 2HB HIS 10 2HB HIS 31 4.689 4.796 -9.680 218 HD1 HIS 10 HD1 HIS 31 1.822 5.396 -12.005 219 HD2 HIS 10 HD2 HIS 31 5.904 5.414 -12.174 220 HE1 HIS 10 HE1 HIS 31 2.425 6.120 -14.308 221 H LEU 11 H LEU 32 0.998 3.136 -8.979 222 HA LEU 11 HA LEU 32 2.168 2.283 -6.407 223 1HB LEU 11 1HB LEU 32 -0.776 2.384 -7.326 224 2HB LEU 11 2HB LEU 32 -0.246 1.891 -5.743 225 HG LEU 11 HG LEU 32 -1.051 4.232 -5.755 226 1HD1 LEU 11 2HD1 LEU 32 0.703 3.690 -4.109 227 2HD1 LEU 11 1HD1 LEU 32 1.965 4.117 -5.260 228 3HD1 LEU 11 3HD1 LEU 32 0.854 5.341 -4.671 229 1HD2 LEU 11 1HD2 LEU 32 -0.499 4.757 -8.053 230 2HD2 LEU 11 3HD2 LEU 32 0.124 5.964 -6.943 231 3HD2 LEU 11 2HD2 LEU 32 1.212 4.826 -7.685 232 H VAL 12 H VAL 33 0.865 0.950 -9.354 233 HA VAL 12 HA VAL 33 0.546 -1.740 -8.268 234 HB VAL 12 HB VAL 33 -0.523 -0.387 -10.427 235 1HG1 VAL 12 1HG1 VAL 33 1.272 -2.536 -11.626 236 2HG1 VAL 12 3HG1 VAL 33 -0.030 -1.718 -12.461 237 3HG1 VAL 12 2HG1 VAL 33 1.389 -0.816 -11.956 238 1HG2 VAL 12 2HG2 VAL 33 -0.412 -3.370 -9.854 239 2HG2 VAL 12 1HG2 VAL 33 -1.547 -2.223 -9.155 240 3HG2 VAL 12 3HG2 VAL 33 -1.618 -2.588 -10.879 241 H GLU 13 H GLU 34 2.872 -0.040 -10.484 242 HA GLU 13 HA GLU 34 4.517 -2.330 -10.894 243 1HB GLU 13 1HB GLU 34 4.691 0.109 -11.950 244 2HB GLU 13 2HB GLU 34 5.924 0.359 -10.726 245 1HG GLU 13 2HG GLU 34 5.925 -1.766 -12.893 246 2HG GLU 13 1HG GLU 34 7.068 -0.466 -12.677 247 H ALA 14 H ALA 35 4.304 0.073 -8.300 248 HA ALA 14 HA ALA 35 6.641 -0.729 -6.860 249 1HB ALA 14 2HB ALA 35 5.711 1.514 -6.765 250 2HB ALA 14 1HB ALA 35 4.218 0.911 -6.054 251 3HB ALA 14 3HB ALA 35 5.736 0.827 -5.167 252 H LEU 15 H LEU 36 3.149 -1.338 -6.198 253 HA LEU 15 HA LEU 36 3.795 -2.922 -3.903 254 1HB LEU 15 1HB LEU 36 1.553 -2.097 -3.988 255 2HB LEU 15 2HB LEU 36 1.237 -2.537 -5.583 256 HG LEU 15 HG LEU 36 1.271 -4.391 -3.172 257 1HD1 LEU 15 2HD1 LEU 36 -0.716 -2.786 -3.405 258 2HD1 LEU 15 1HD1 LEU 36 -0.982 -3.396 -5.027 259 3HD1 LEU 15 3HD1 LEU 36 -1.195 -4.439 -3.625 260 1HD2 LEU 15 2HD2 LEU 36 0.482 -5.044 -6.054 261 2HD2 LEU 15 1HD2 LEU 36 1.825 -5.776 -5.202 262 3HD2 LEU 15 3HD2 LEU 36 0.210 -6.069 -4.648 263 H TYR 16 H TYR 37 3.341 -3.808 -7.233 264 HA TYR 16 HA TYR 37 3.282 -6.559 -7.104 265 1HB TYR 16 1HB TYR 37 4.164 -4.603 -9.143 266 2HB TYR 16 2HB TYR 37 4.965 -6.131 -9.331 267 HD1 TYR 16 HD1 TYR 37 2.854 -8.140 -8.982 268 HD2 TYR 16 HD2 TYR 37 2.654 -4.265 -10.723 269 HE1 TYR 16 HE1 TYR 37 0.961 -8.856 -10.368 270 HE2 TYR 16 HE2 TYR 37 0.767 -4.976 -12.111 271 HH TYR 16 HH TYR 37 -0.480 -6.677 -12.775 272 H LEU 17 H LEU 38 6.095 -4.349 -6.983 273 HA LEU 17 HA LEU 38 7.921 -6.684 -6.625 274 1HB LEU 17 1HB LEU 38 8.746 -5.155 -8.203 275 2HB LEU 17 2HB LEU 38 8.475 -3.745 -7.238 276 HG LEU 17 HG LEU 38 10.879 -4.442 -7.525 277 1HD1 LEU 17 2HD1 LEU 38 10.326 -2.939 -5.659 278 2HD1 LEU 17 1HD1 LEU 38 10.024 -4.280 -4.585 279 3HD1 LEU 17 3HD1 LEU 38 11.626 -4.002 -5.210 280 1HD2 LEU 17 2HD2 LEU 38 10.184 -6.849 -5.786 281 2HD2 LEU 17 1HD2 LEU 38 10.744 -6.854 -7.432 282 3HD2 LEU 17 3HD2 LEU 38 11.797 -6.302 -6.141 283 H VAL 18 H VAL 39 7.036 -3.757 -4.672 284 HA VAL 18 HA VAL 39 8.858 -3.985 -2.636 285 HB VAL 18 HB VAL 39 5.924 -3.131 -2.630 286 1HG1 VAL 18 1HG1 VAL 39 7.920 -2.839 -0.319 287 2HG1 VAL 18 3HG1 VAL 39 6.318 -2.112 -0.380 288 3HG1 VAL 18 2HG1 VAL 39 6.485 -3.851 -0.282 289 1HG2 VAL 18 2HG2 VAL 39 8.570 -1.622 -2.393 290 2HG2 VAL 18 1HG2 VAL 39 7.609 -1.706 -3.851 291 3HG2 VAL 18 3HG2 VAL 39 6.993 -0.884 -2.445 292 H CYS 19 H CYS 40 6.202 -6.006 -3.375 293 HA CYS 19 HA CYS 40 6.373 -7.419 -0.807 294 1HB CYS 19 1HB CYS 40 4.590 -7.501 -3.187 295 2HB CYS 19 2HB CYS 40 4.479 -8.737 -1.947 296 H GLY 20 H GLY 41 7.275 -8.179 -4.196 297 1HA GLY 20 1HA GLY 41 8.816 -9.774 -4.830 298 2HA GLY 20 2HA GLY 41 8.982 -10.337 -3.178 299 H GLU 21 H GLU 42 6.212 -11.011 -2.619 300 HA GLU 21 HA GLU 42 5.318 -12.755 -4.805 301 1HB GLU 21 1HB GLU 42 5.535 -14.801 -3.444 302 2HB GLU 21 2HB GLU 42 6.994 -13.926 -3.091 303 1HG GLU 21 2HG GLU 42 4.518 -14.060 -1.343 304 2HG GLU 21 1HG GLU 42 6.084 -14.734 -0.995 305 H ARG 22 H ARG 43 4.486 -10.416 -3.568 306 HA ARG 22 HA ARG 43 2.564 -9.931 -1.871 307 1HB ARG 22 1HB ARG 43 1.941 -8.127 -3.268 308 2HB ARG 22 2HB ARG 43 3.358 -8.730 -4.049 309 1HG ARG 22 2HG ARG 43 0.657 -9.675 -4.960 310 2HG ARG 22 1HG ARG 43 1.509 -8.297 -5.634 311 1HD ARG 22 2HD ARG 43 3.492 -9.801 -6.130 312 2HD ARG 22 1HD ARG 43 2.573 -11.166 -5.526 313 HE ARG 22 HE ARG 43 1.489 -9.542 -7.771 314 1HH1 ARG 22 2HH2 ARG 43 0.670 -12.300 -6.300 315 2HH1 ARG 22 1HH2 ARG 43 0.918 -13.341 -7.664 316 1HH2 ARG 22 1HH1 ARG 43 2.674 -10.948 -9.485 317 2HH2 ARG 22 2HH1 ARG 43 2.115 -12.588 -9.477 318 H GLY 23 H GLY 44 0.357 -9.890 -1.526 319 1HA GLY 23 1HA GLY 44 -1.184 -12.238 -2.597 320 2HA GLY 23 2HA GLY 44 -1.343 -11.549 -1.010 321 H PHE 24 H PHE 45 -1.597 -9.945 -4.367 322 HA PHE 24 HA PHE 45 -4.135 -8.879 -3.357 323 1HB PHE 24 1HB PHE 45 -3.450 -6.664 -4.093 324 2HB PHE 24 2HB PHE 45 -1.943 -7.365 -3.625 325 HD1 PHE 24 HD2 PHE 45 -1.120 -9.047 -5.954 326 HD2 PHE 24 HD1 PHE 45 -2.970 -5.202 -5.797 327 HE1 PHE 24 HE2 PHE 45 -0.114 -8.451 -8.114 328 HE2 PHE 24 HE1 PHE 45 -1.966 -4.627 -7.941 329 HZ PHE 24 HZ PHE 45 -0.518 -6.252 -9.104 330 H PHE 25 H PHE 46 -5.350 -8.112 -5.804 331 HA PHE 25 HA PHE 46 -4.798 -10.224 -7.815 332 1HB PHE 25 1HB PHE 46 -7.615 -9.189 -7.205 333 2HB PHE 25 2HB PHE 46 -7.154 -10.528 -8.216 334 HD1 PHE 25 HD2 PHE 46 -6.285 -12.675 -7.045 335 HD2 PHE 25 HD1 PHE 46 -8.219 -9.510 -4.973 336 HE1 PHE 25 HE2 PHE 46 -6.818 -14.210 -5.185 337 HE2 PHE 25 HE1 PHE 46 -8.745 -11.031 -3.114 338 HZ PHE 25 HZ PHE 46 -8.041 -13.394 -3.224 339 H TYR 26 H TYR 47 -4.525 -9.196 -9.812 340 HA TYR 26 HA TYR 47 -5.888 -6.610 -10.214 341 1HB TYR 26 1HB TYR 47 -3.449 -6.350 -9.240 342 2HB TYR 26 2HB TYR 47 -2.932 -6.708 -10.898 343 HD1 TYR 26 HD1 TYR 47 -5.367 -4.637 -8.955 344 HD2 TYR 26 HD2 TYR 47 -3.052 -4.875 -12.525 345 HE1 TYR 26 HE1 TYR 47 -6.092 -2.387 -9.567 346 HE2 TYR 26 HE2 TYR 47 -3.791 -2.607 -13.128 347 HH TYR 26 HH TYR 47 -5.059 -0.836 -12.570 348 H THR 27 H THR 48 -6.778 -8.533 -11.284 349 HA THR 27 HA THR 48 -5.841 -8.761 -14.139 350 HB THR 27 HB THR 48 -7.014 -10.981 -14.087 351 HG1 THR 27 HG1 THR 48 -8.188 -11.215 -12.362 352 1HG2 THR 27 1HG2 THR 48 -4.888 -10.531 -11.883 353 2HG2 THR 27 3HG2 THR 48 -5.211 -12.063 -12.679 354 3HG2 THR 27 2HG2 THR 48 -4.476 -10.746 -13.565 355 HA PRO 28 HA PRO 49 -9.862 -6.095 -13.375 356 1HB PRO 28 1HB PRO 49 -8.811 -5.293 -16.079 357 2HB PRO 28 2HB PRO 49 -9.833 -4.356 -14.968 358 1HG PRO 28 2HG PRO 49 -7.246 -3.941 -14.678 359 2HG PRO 28 1HG PRO 49 -8.097 -4.393 -13.200 360 1HD PRO 28 1HD PRO 49 -6.481 -6.081 -15.057 361 2HD PRO 28 2HD PRO 49 -6.436 -6.022 -13.252 362 H LYS 29 H LYS 50 -12.016 -6.258 -14.227 363 HA LYS 29 HA LYS 50 -12.437 -8.437 -16.229 364 1HB LYS 29 1HB LYS 50 -14.172 -7.683 -13.871 365 2HB LYS 29 2HB LYS 50 -14.581 -8.922 -15.032 366 1HG LYS 29 2HG LYS 50 -12.256 -9.010 -13.088 367 2HG LYS 29 1HG LYS 50 -13.732 -9.955 -13.075 368 1HD LYS 29 2HD LYS 50 -13.140 -10.978 -15.264 369 2HD LYS 29 1HD LYS 50 -11.604 -10.118 -15.249 370 1HE LYS 29 2HE LYS 50 -11.064 -11.198 -13.048 371 2HE LYS 29 1HE LYS 50 -12.541 -12.140 -13.204 372 1HZ LYS 29 1HZ LYS 50 -11.118 -12.357 -15.587 373 2HZ LYS 29 3HZ LYS 50 -10.037 -12.637 -14.311 374 3HZ LYS 29 2HZ LYS 50 -11.447 -13.564 -14.440 375 H THR 30 H THR 51 -12.293 -6.289 -17.592 376 HA THR 30 HA THR 51 -15.094 -5.303 -18.055 377 HB THR 30 HB THR 51 -12.372 -3.984 -18.417 378 HG1 THR 30 HG1 THR 51 -13.264 -3.086 -16.741 379 1HG2 THR 30 1HG2 THR 51 -15.052 -3.067 -19.639 380 2HG2 THR 30 3HG2 THR 51 -13.536 -2.174 -19.717 381 3HG2 THR 30 2HG2 THR 51 -13.708 -3.666 -20.608 No H/Q in entry = 381 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -3.799 -4.108 -1.455 2 2H GLY 1 3H GLY 1 -3.336 -5.491 -0.572 3 3H GLY 1 2H GLY 1 -2.206 -4.687 -1.559 4 1HA GLY 1 2HA GLY 1 -2.749 -6.045 -3.210 5 2HA GLY 1 1HA GLY 1 -3.988 -6.771 -2.176 6 H ILE 2 H ILE 2 -3.567 -3.519 -3.457 7 HA ILE 2 HA ILE 2 -6.195 -3.751 -4.858 8 HB ILE 2 HB ILE 2 -6.709 -1.420 -4.246 9 1HG1 ILE 2 2HG1 ILE 2 -5.265 -0.580 -2.108 10 2HG1 ILE 2 1HG1 ILE 2 -3.995 -1.441 -2.963 11 1HG2 ILE 2 2HG2 ILE 2 -7.632 -3.167 -2.838 12 2HG2 ILE 2 1HG2 ILE 2 -6.225 -3.151 -1.800 13 3HG2 ILE 2 3HG2 ILE 2 -7.268 -1.743 -1.881 14 1HD1 ILE 2 1HD ILE 2 -5.725 0.774 -4.156 15 2HD1 ILE 2 3HD ILE 2 -4.080 0.963 -3.611 16 3HD1 ILE 2 2HD ILE 2 -4.430 -0.038 -5.009 17 H VAL 3 H VAL 3 -6.490 -1.905 -6.332 18 HA VAL 3 HA VAL 3 -3.974 -1.149 -7.724 19 HB VAL 3 HB VAL 3 -5.162 -1.720 -9.894 20 1HG1 VAL 3 2HG1 VAL 3 -3.647 -3.382 -8.751 21 2HG1 VAL 3 1HG1 VAL 3 -5.035 -4.035 -7.886 22 3HG1 VAL 3 3HG1 VAL 3 -4.951 -4.128 -9.628 23 1HG2 VAL 3 1HG2 VAL 3 -7.536 -1.552 -8.970 24 2HG2 VAL 3 3HG2 VAL 3 -7.241 -3.099 -9.754 25 3HG2 VAL 3 2HG2 VAL 3 -7.232 -2.983 -8.005 26 H GLU 4 H GLU 4 -4.657 0.479 -9.515 27 HA GLU 4 HA GLU 4 -4.947 2.925 -9.137 28 1HB GLU 4 1HB GLU 4 -5.920 1.562 -11.189 29 2HB GLU 4 2HB GLU 4 -7.465 2.021 -10.516 30 1HG GLU 4 2HG GLU 4 -5.265 3.893 -11.462 31 2HG GLU 4 1HG GLU 4 -6.843 3.632 -12.170 32 H GLN 5 H GLN 5 -5.365 3.649 -7.127 33 HA GLN 5 HA GLN 5 -8.189 4.334 -6.647 34 1HB GLN 5 1HB GLN 5 -7.583 1.996 -5.678 35 2HB GLN 5 2HB GLN 5 -6.604 2.840 -4.516 36 1HG GLN 5 2HG GLN 5 -8.561 3.936 -3.551 37 2HG GLN 5 1HG GLN 5 -9.590 3.333 -4.851 38 1HE2 GLN 5 1HE2 GLN 5 -8.485 0.761 -1.893 39 2HE2 GLN 5 2HE2 GLN 5 -7.886 2.349 -1.920 40 H CYS 6 H CYS 6 -6.305 5.937 -7.390 41 HA CYS 6 HA CYS 6 -4.646 7.492 -6.650 42 1HB CYS 6 1HB CYS 6 -7.462 8.349 -6.792 43 2HB CYS 6 2HB CYS 6 -6.243 9.549 -6.458 44 H CYS 7 H CYS 7 -3.577 7.285 -4.972 45 HA CYS 7 HA CYS 7 -2.684 7.403 -2.880 46 1HB CYS 7 1HB CYS 7 -2.000 9.473 -4.006 47 2HB CYS 7 2HB CYS 7 -3.499 10.242 -3.607 48 H THR 8 H THR 8 -5.126 6.624 -2.662 49 HA THR 8 HA THR 8 -7.185 7.146 -1.235 50 HB THR 8 HB THR 8 -6.864 5.279 0.446 51 HG1 THR 8 HG1 THR 8 -4.771 5.507 1.048 52 1HG2 THR 8 1HG2 THR 8 -5.531 4.716 -2.255 53 2HG2 THR 8 3HG2 THR 8 -6.264 3.513 -1.205 54 3HG2 THR 8 2HG2 THR 8 -7.275 4.713 -2.010 55 H SER 9 H SER 9 -4.419 6.980 0.961 56 HA SER 9 HA SER 9 -5.637 9.165 2.570 57 1HB SER 9 2HB SER 9 -4.848 7.847 4.631 58 2HB SER 9 1HB SER 9 -6.102 7.076 3.659 59 HG SER 9 HG SER 9 -4.344 6.111 2.427 60 H ILE 10 H ILE 10 -2.608 7.466 2.734 61 HA ILE 10 HA ILE 10 -1.126 10.065 2.962 62 HB ILE 10 HB ILE 10 -0.631 7.445 4.456 63 1HG1 ILE 10 2HG1 ILE 10 -2.540 8.655 5.337 64 2HG1 ILE 10 1HG1 ILE 10 -1.219 8.692 6.487 65 1HG2 ILE 10 1HG2 ILE 10 0.989 10.011 4.699 66 2HG2 ILE 10 3HG2 ILE 10 1.096 8.644 5.790 67 3HG2 ILE 10 2HG2 ILE 10 1.579 8.460 4.128 68 1HD1 ILE 10 2HD ILE 10 -0.668 11.025 5.759 69 2HD1 ILE 10 1HD ILE 10 -2.011 10.983 4.633 70 3HD1 ILE 10 3HD ILE 10 -2.315 10.870 6.351 71 H CYS 11 H CYS 11 -1.464 7.497 0.946 72 HA CYS 11 HA CYS 11 0.189 6.211 -0.272 73 1HB CYS 11 1HB CYS 11 0.301 7.385 -2.346 74 2HB CYS 11 2HB CYS 11 -1.241 7.643 -1.568 75 H SER 12 H SER 12 1.880 6.336 1.424 76 HA SER 12 HA SER 12 4.371 7.683 0.557 77 1HB SER 12 2HB SER 12 5.001 7.380 3.055 78 2HB SER 12 1HB SER 12 3.409 8.111 2.953 79 HG SER 12 HG SER 12 3.037 5.509 2.720 80 H LEU 13 H LEU 13 6.210 5.996 0.748 81 HA LEU 13 HA LEU 13 5.233 3.530 -0.443 82 1HB LEU 13 1HB LEU 13 8.088 4.163 0.288 83 2HB LEU 13 2HB LEU 13 7.549 2.947 -0.829 84 HG LEU 13 HG LEU 13 7.371 5.946 -1.268 85 1HD1 LEU 13 1HD1 LEU 13 8.785 3.736 -2.781 86 2HD1 LEU 13 3HD1 LEU 13 8.745 5.414 -3.278 87 3HD1 LEU 13 2HD1 LEU 13 9.554 4.955 -1.773 88 1HD2 LEU 13 2HD2 LEU 13 6.174 3.732 -3.011 89 2HD2 LEU 13 1HD2 LEU 13 5.273 4.955 -2.143 90 3HD2 LEU 13 3HD2 LEU 13 6.311 5.428 -3.469 91 H TYR 14 H TYR 14 6.444 4.299 2.734 92 HA TYR 14 HA TYR 14 6.964 1.540 3.430 93 1HB TYR 14 1HB TYR 14 7.779 3.616 4.759 94 2HB TYR 14 2HB TYR 14 6.166 3.737 5.435 95 HD1 TYR 14 HD1 TYR 14 5.241 1.662 6.699 96 HD2 TYR 14 HD2 TYR 14 9.350 2.084 5.677 97 HE1 TYR 14 HE1 TYR 14 5.839 -0.025 8.387 98 HE2 TYR 14 HE2 TYR 14 9.943 0.427 7.367 99 HH TYR 14 HH TYR 14 9.210 -1.023 8.836 100 H GLN 15 H GLN 15 4.070 3.615 3.356 101 HA GLN 15 HA GLN 15 2.338 1.847 4.796 102 1HB GLN 15 1HB GLN 15 1.742 4.315 4.104 103 2HB GLN 15 2HB GLN 15 1.378 3.641 2.525 104 1HG GLN 15 2HG GLN 15 -0.223 2.024 3.696 105 2HG GLN 15 1HG GLN 15 0.147 2.872 5.184 106 1HE2 GLN 15 1HE2 GLN 15 -1.625 5.693 3.034 107 2HE2 GLN 15 2HE2 GLN 15 0.027 5.321 2.825 108 H LEU 16 H LEU 16 3.580 1.905 1.481 109 HA LEU 16 HA LEU 16 1.521 0.055 0.513 110 1HB LEU 16 1HB LEU 16 4.256 0.720 -0.676 111 2HB LEU 16 2HB LEU 16 2.945 -0.094 -1.505 112 HG LEU 16 HG LEU 16 2.696 2.730 -0.360 113 1HD1 LEU 16 2HD1 LEU 16 4.293 2.610 -2.247 114 2HD1 LEU 16 1HD1 LEU 16 3.092 1.786 -3.220 115 3HD1 LEU 16 3HD1 LEU 16 2.827 3.456 -2.724 116 1HD2 LEU 16 1HD2 LEU 16 0.497 1.487 -0.555 117 2HD2 LEU 16 3HD2 LEU 16 0.574 2.800 -1.681 118 3HD2 LEU 16 2HD2 LEU 16 0.854 1.162 -2.246 119 H GLU 17 H GLU 17 4.555 -0.250 2.139 120 HA GLU 17 HA GLU 17 5.068 -3.003 1.439 121 1HB GLU 17 1HB GLU 17 5.799 -1.560 4.023 122 2HB GLU 17 2HB GLU 17 6.549 -3.020 3.417 123 1HG GLU 17 2HG GLU 17 7.263 -1.743 1.352 124 2HG GLU 17 1HG GLU 17 6.632 -0.274 2.072 125 H ASN 18 H ASN 18 2.658 -1.491 3.294 126 HA ASN 18 HA ASN 18 2.116 -3.370 5.342 127 1HB ASN 18 1HB ASN 18 -0.032 -2.302 5.545 128 2HB ASN 18 2HB ASN 18 1.066 -1.058 5.036 129 1HD2 ASN 18 1HD2 ASN 18 -0.523 -1.641 1.583 130 2HD2 ASN 18 2HD2 ASN 18 0.938 -2.279 2.163 131 H TYR 19 H TYR 19 1.731 -3.678 1.967 132 HA TYR 19 HA TYR 19 -0.294 -5.827 2.192 133 1HB TYR 19 1HB TYR 19 1.202 -4.909 -0.296 134 2HB TYR 19 2HB TYR 19 -0.257 -5.876 -0.212 135 HD1 TYR 19 HD1 TYR 19 -2.239 -4.683 1.254 136 HD2 TYR 19 HD2 TYR 19 0.836 -2.662 -0.877 137 HE1 TYR 19 HE1 TYR 19 -3.644 -2.675 1.101 138 HE2 TYR 19 HE2 TYR 19 -0.563 -0.669 -1.036 139 HH TYR 19 HH TYR 19 -3.762 -0.546 0.482 140 H CYS 20 H CYS 20 2.431 -6.126 3.415 141 HA CYS 20 HA CYS 20 3.403 -8.447 1.765 142 1HB CYS 20 1HB CYS 20 5.052 -6.488 2.264 143 2HB CYS 20 2HB CYS 20 4.936 -7.017 3.927 144 H ASN 21 H ASN 21 1.260 -8.079 3.792 145 HA ASN 21 HA ASN 21 0.775 -8.829 6.054 146 1HB ASN 21 1HB ASN 21 -0.415 -9.678 3.904 147 2HB ASN 21 2HB ASN 21 0.405 -11.199 4.196 148 1HD2 ASN 21 1HD2 ASN 21 -3.013 -10.561 5.980 149 2HD2 ASN 21 2HD2 ASN 21 -2.447 -9.854 4.542 150 1H PHE 1 1H PHE 22 7.416 9.123 -2.385 151 2H PHE 1 3H PHE 22 9.057 9.567 -2.425 152 3H PHE 1 2H PHE 22 8.496 8.487 -1.235 153 HA PHE 1 HA PHE 22 8.035 10.109 0.133 154 1HB PHE 1 2HB PHE 22 9.984 11.303 -0.903 155 2HB PHE 1 1HB PHE 22 8.964 11.874 -2.206 156 HD1 PHE 1 HD1 PHE 22 8.373 11.830 1.517 157 HD2 PHE 1 HD2 PHE 22 8.835 14.221 -1.989 158 HE1 PHE 1 HE1 PHE 22 7.794 13.844 2.799 159 HE2 PHE 1 HE2 PHE 22 8.249 16.219 -0.693 160 HZ PHE 1 HZ PHE 22 7.732 16.022 1.700 161 H VAL 2 H VAL 23 6.484 11.648 0.733 162 HA VAL 2 HA VAL 23 4.017 11.562 -0.879 163 HB VAL 2 HB VAL 23 2.999 12.483 1.350 164 1HG1 VAL 2 1HG1 VAL 23 4.380 9.781 1.306 165 2HG1 VAL 2 3HG1 VAL 23 3.028 10.230 2.336 166 3HG1 VAL 2 2HG1 VAL 23 2.807 10.164 0.600 167 1HG2 VAL 2 1HG2 VAL 23 5.209 13.235 2.382 168 2HG2 VAL 2 3HG2 VAL 23 4.334 12.091 3.382 169 3HG2 VAL 2 2HG2 VAL 23 5.712 11.556 2.446 170 H ASN 3 H ASN 24 2.589 13.455 -0.507 171 HA ASN 3 HA ASN 24 2.023 15.710 -0.905 172 1HB ASN 3 1HB ASN 24 4.999 16.429 -0.392 173 2HB ASN 3 2HB ASN 24 3.617 17.489 -0.336 174 1HD2 ASN 3 1HD2 ASN 24 3.753 17.121 3.156 175 2HD2 ASN 3 2HD2 ASN 24 3.996 18.166 1.831 176 H GLN 4 H GLN 25 2.589 13.825 -2.737 177 HA GLN 4 HA GLN 25 3.692 15.360 -4.984 178 1HB GLN 4 1HB GLN 25 5.301 13.646 -3.881 179 2HB GLN 4 2HB GLN 25 4.230 12.384 -4.402 180 1HG GLN 4 2HG GLN 25 4.739 13.030 -6.821 181 2HG GLN 4 1HG GLN 25 5.895 14.201 -6.202 182 1HE2 GLN 4 1HE2 GLN 25 6.925 10.371 -6.574 183 2HE2 GLN 4 2HE2 GLN 25 5.550 11.071 -7.278 184 H HIS 5 H HIS 26 3.155 13.370 -7.007 185 HA HIS 5 HA HIS 26 0.202 13.126 -6.938 186 1HB HIS 5 1HB HIS 26 2.113 13.318 -9.326 187 2HB HIS 5 2HB HIS 26 0.354 13.355 -9.375 188 HD1 HIS 5 HD1 HIS 26 -0.620 15.491 -7.889 189 HD2 HIS 5 HD2 HIS 26 3.242 15.803 -9.174 190 HE1 HIS 5 HE1 HIS 26 -0.036 17.877 -7.742 191 H LEU 6 H LEU 27 0.877 11.200 -5.638 192 HA LEU 6 HA LEU 27 1.701 8.837 -7.299 193 1HB LEU 6 1HB LEU 27 1.576 9.170 -4.269 194 2HB LEU 6 2HB LEU 27 2.086 7.726 -5.111 195 HG LEU 6 HG LEU 27 3.544 10.385 -5.261 196 1HD1 LEU 6 1HD1 LEU 27 4.177 7.751 -3.858 197 2HD1 LEU 6 3HD1 LEU 27 5.253 9.145 -3.902 198 3HD1 LEU 6 2HD1 LEU 27 3.713 9.245 -3.057 199 1HD2 LEU 6 2HD2 LEU 27 4.211 7.611 -6.393 200 2HD2 LEU 6 1HD2 LEU 27 3.813 9.023 -7.349 201 3HD2 LEU 6 3HD2 LEU 27 5.300 8.978 -6.430 202 H CYS 7 H CYS 28 -0.405 8.694 -8.303 203 HA CYS 7 HA CYS 28 -2.647 8.020 -6.499 204 1HB CYS 7 1HB CYS 28 -3.490 9.417 -8.020 205 2HB CYS 7 2HB CYS 28 -2.511 8.997 -9.348 206 H GLY 8 H GLY 29 -1.370 6.305 -9.521 207 1HA GLY 8 1HA GLY 29 -1.874 3.814 -8.056 208 2HA GLY 8 2HA GLY 29 -2.729 3.984 -9.548 209 H SER 9 H SER 30 -0.668 4.814 -11.376 210 HA SER 9 HA SER 30 0.821 2.653 -11.991 211 1HB SER 9 2HB SER 30 1.599 5.613 -12.397 212 2HB SER 9 1HB SER 30 2.355 4.254 -13.224 213 HG SER 9 HG SER 30 0.069 5.418 -13.755 214 H HIS 10 H HIS 31 1.808 4.851 -9.535 215 HA HIS 10 HA HIS 31 4.464 3.655 -9.300 216 1HB HIS 10 1HB HIS 31 3.094 6.081 -8.027 217 2HB HIS 10 2HB HIS 31 4.666 5.539 -7.487 218 HD1 HIS 10 HD1 HIS 31 5.902 4.966 -10.304 219 HD2 HIS 10 HD2 HIS 31 3.648 8.265 -9.502 220 HE1 HIS 10 HE1 HIS 31 6.533 6.655 -11.970 221 H LEU 11 H LEU 32 1.364 3.764 -7.506 222 HA LEU 11 HA LEU 32 2.369 2.439 -5.174 223 1HB LEU 11 1HB LEU 32 -0.427 2.885 -6.377 224 2HB LEU 11 2HB LEU 32 -0.232 1.728 -5.075 225 HG LEU 11 HG LEU 32 0.772 3.589 -3.698 226 1HD1 LEU 11 1HD1 LEU 32 0.171 5.320 -6.124 227 2HD1 LEU 11 3HD1 LEU 32 0.664 5.894 -4.541 228 3HD1 LEU 11 2HD1 LEU 32 1.775 4.949 -5.491 229 1HD2 LEU 11 1HD2 LEU 32 -1.682 3.210 -3.660 230 2HD2 LEU 11 3HD2 LEU 32 -1.289 4.926 -3.470 231 3HD2 LEU 11 2HD2 LEU 32 -1.870 4.320 -5.007 232 H VAL 12 H VAL 33 1.221 1.439 -8.303 233 HA VAL 12 HA VAL 33 1.142 -1.361 -7.767 234 HB VAL 12 HB VAL 33 0.943 0.503 -10.148 235 1HG1 VAL 12 1HG1 VAL 33 1.225 -2.508 -10.471 236 2HG1 VAL 12 3HG1 VAL 33 0.685 -1.400 -11.722 237 3HG1 VAL 12 2HG1 VAL 33 2.324 -1.316 -11.112 238 1HG2 VAL 12 2HG2 VAL 33 -0.815 -1.715 -9.007 239 2HG2 VAL 12 1HG2 VAL 33 -1.040 -0.001 -8.760 240 3HG2 VAL 12 3HG2 VAL 33 -1.255 -0.693 -10.362 241 H GLU 13 H GLU 34 3.655 0.811 -9.257 242 HA GLU 13 HA GLU 34 5.423 -1.478 -9.695 243 1HB GLU 13 1HB GLU 34 6.463 1.370 -9.154 244 2HB GLU 13 2HB GLU 34 7.296 0.026 -9.876 245 1HG GLU 13 2HG GLU 34 6.050 0.012 -11.833 246 2HG GLU 13 1HG GLU 34 4.801 1.060 -11.190 247 H ALA 14 H ALA 35 4.847 0.467 -6.853 248 HA ALA 14 HA ALA 35 7.153 -0.576 -5.426 249 1HB ALA 14 1HB ALA 35 4.888 1.246 -4.619 250 2HB ALA 14 3HB ALA 35 6.290 0.896 -3.615 251 3HB ALA 14 2HB ALA 35 6.499 1.706 -5.160 252 H LEU 15 H LEU 36 3.591 -1.133 -5.049 253 HA LEU 15 HA LEU 36 4.137 -2.840 -2.734 254 1HB LEU 15 1HB LEU 36 1.779 -3.008 -2.532 255 2HB LEU 15 2HB LEU 36 2.018 -1.403 -3.113 256 HG LEU 15 HG LEU 36 1.553 -2.511 -5.496 257 1HD1 LEU 15 2HD1 LEU 36 1.358 -4.852 -4.518 258 2HD1 LEU 15 1HD1 LEU 36 0.061 -4.271 -3.488 259 3HD1 LEU 15 3HD1 LEU 36 -0.165 -4.334 -5.220 260 1HD2 LEU 15 2HD2 LEU 36 -0.645 -1.883 -3.487 261 2HD2 LEU 15 1HD2 LEU 36 0.180 -0.696 -4.476 262 3HD2 LEU 15 3HD2 LEU 36 -0.851 -1.914 -5.220 263 H TYR 16 H TYR 37 4.129 -3.162 -6.139 264 HA TYR 16 HA TYR 37 3.694 -6.077 -6.045 265 1HB TYR 16 1HB TYR 37 4.618 -4.362 -8.460 266 2HB TYR 16 2HB TYR 37 4.299 -6.063 -8.478 267 HD1 TYR 16 HD2 TYR 37 1.873 -4.084 -6.602 268 HD2 TYR 16 HD1 TYR 37 2.878 -5.584 -10.431 269 HE1 TYR 16 HE2 TYR 37 -0.423 -3.643 -7.366 270 HE2 TYR 16 HE1 TYR 37 0.602 -5.155 -11.207 271 HH TYR 16 HH TYR 37 -1.440 -4.410 -10.694 272 H LEU 17 H LEU 38 6.383 -3.769 -6.152 273 HA LEU 17 HA LEU 38 8.424 -5.782 -6.726 274 1HB LEU 17 1HB LEU 38 8.705 -3.512 -7.492 275 2HB LEU 17 2HB LEU 38 8.484 -2.860 -5.891 276 HG LEU 17 HG LEU 38 10.717 -3.899 -5.224 277 1HD1 LEU 17 1HD1 LEU 38 10.950 -4.548 -8.188 278 2HD1 LEU 17 3HD1 LEU 38 12.219 -4.726 -6.997 279 3HD1 LEU 17 2HD1 LEU 38 10.800 -5.765 -6.928 280 1HD2 LEU 17 1HD2 LEU 38 10.554 -1.546 -6.081 281 2HD2 LEU 17 3HD2 LEU 38 12.077 -2.283 -6.538 282 3HD2 LEU 17 2HD2 LEU 38 10.775 -2.147 -7.710 283 H VAL 18 H VAL 39 6.759 -4.681 -3.884 284 HA VAL 18 HA VAL 39 8.898 -5.755 -2.094 285 HB VAL 18 HB VAL 39 6.272 -4.298 -1.359 286 1HG1 VAL 18 2HG1 VAL 39 7.024 -5.942 0.394 287 2HG1 VAL 18 1HG1 VAL 39 8.597 -5.191 0.420 288 3HG1 VAL 18 3HG1 VAL 39 7.192 -4.307 0.973 289 1HG2 VAL 18 1HG2 VAL 39 8.010 -2.798 -2.385 290 2HG2 VAL 18 3HG2 VAL 39 7.765 -2.432 -0.688 291 3HG2 VAL 18 2HG2 VAL 39 9.173 -3.345 -1.195 292 H CYS 19 H CYS 40 5.324 -5.919 -1.989 293 HA CYS 19 HA CYS 40 5.416 -8.871 -2.083 294 1HB CYS 19 1HB CYS 40 4.558 -7.391 0.402 295 2HB CYS 19 2HB CYS 40 4.305 -9.100 0.089 296 H GLY 20 H GLY 41 2.919 -6.152 -1.532 297 1HA GLY 20 1HA GLY 41 0.925 -5.909 -2.536 298 2HA GLY 20 2HA GLY 41 1.326 -7.156 -3.689 299 H GLU 21 H GLU 42 1.832 -8.899 -1.353 300 HA GLU 21 HA GLU 42 0.724 -10.043 0.467 301 1HB GLU 21 1HB GLU 42 -1.788 -9.625 -1.315 302 2HB GLU 21 2HB GLU 42 -1.712 -10.803 -0.047 303 1HG GLU 21 2HG GLU 42 -1.506 -9.195 1.678 304 2HG GLU 21 1HG GLU 42 -1.111 -7.880 0.586 305 H ARG 22 H ARG 43 2.430 -10.395 -1.295 306 HA ARG 22 HA ARG 43 3.230 -11.654 -3.187 307 1HB ARG 22 1HB ARG 43 4.337 -12.118 -1.179 308 2HB ARG 22 2HB ARG 43 3.080 -13.097 -0.511 309 1HG ARG 22 2HG ARG 43 4.765 -14.610 -1.248 310 2HG ARG 22 1HG ARG 43 3.656 -14.674 -2.592 311 1HD ARG 22 2HD ARG 43 5.073 -12.990 -3.829 312 2HD ARG 22 1HD ARG 43 6.146 -12.912 -2.429 313 HE ARG 22 HE ARG 43 6.519 -15.378 -2.762 314 1HH1 ARG 22 2HH2 ARG 43 4.524 -15.426 -5.065 315 2HH1 ARG 22 1HH2 ARG 43 5.583 -15.499 -6.437 316 1HH2 ARG 22 1HH1 ARG 43 8.387 -14.511 -4.569 317 2HH2 ARG 22 2HH1 ARG 43 7.819 -14.983 -6.135 318 H GLY 23 H GLY 44 1.626 -11.785 -4.640 319 1HA GLY 23 1HA GLY 44 0.921 -13.643 -6.170 320 2HA GLY 23 2HA GLY 44 0.002 -14.319 -4.840 321 H PHE 24 H PHE 45 -1.148 -11.897 -3.749 322 HA PHE 24 HA PHE 45 -3.331 -11.080 -4.245 323 1HB PHE 24 1HB PHE 45 -3.034 -8.806 -4.401 324 2HB PHE 24 2HB PHE 45 -1.908 -9.533 -3.242 325 HD1 PHE 24 HD1 PHE 45 0.480 -10.259 -4.564 326 HD2 PHE 24 HD2 PHE 45 -2.144 -7.050 -5.576 327 HE1 PHE 24 HE1 PHE 45 2.296 -9.158 -5.769 328 HE2 PHE 24 HE2 PHE 45 -0.347 -5.967 -6.762 329 HZ PHE 24 HZ PHE 45 1.899 -7.006 -6.877 330 H PHE 25 H PHE 46 -4.398 -11.961 -6.649 331 HA PHE 25 HA PHE 46 -3.353 -10.382 -8.901 332 1HB PHE 25 1HB PHE 46 -4.319 -12.131 -10.245 333 2HB PHE 25 2HB PHE 46 -3.800 -13.005 -8.834 334 HD1 PHE 25 HD1 PHE 46 -6.714 -11.347 -10.412 335 HD2 PHE 25 HD2 PHE 46 -5.471 -14.032 -7.354 336 HE1 PHE 25 HE1 PHE 46 -9.048 -11.954 -10.010 337 HE2 PHE 25 HE2 PHE 46 -7.813 -14.645 -6.950 338 HZ PHE 25 HZ PHE 46 -9.597 -13.612 -8.266 339 H TYR 26 H TYR 47 -4.788 -9.200 -10.050 340 HA TYR 26 HA TYR 47 -7.380 -8.515 -8.828 341 1HB TYR 26 1HB TYR 47 -6.929 -6.130 -9.462 342 2HB TYR 26 2HB TYR 47 -5.706 -6.736 -8.382 343 HD1 TYR 26 HD2 TYR 47 -3.407 -7.389 -9.336 344 HD2 TYR 26 HD1 TYR 47 -6.377 -5.328 -11.581 345 HE1 TYR 26 HE2 TYR 47 -1.696 -6.625 -10.918 346 HE2 TYR 26 HE1 TYR 47 -4.676 -4.591 -13.169 347 HH TYR 26 HH TYR 47 -2.516 -4.843 -13.823 348 H THR 27 H THR 48 -5.581 -8.217 -11.349 349 HA THR 27 HA THR 48 -7.150 -9.750 -13.358 350 HB THR 27 HB THR 48 -7.517 -7.856 -14.993 351 HG1 THR 27 HG1 THR 48 -5.813 -6.680 -13.420 352 1HG2 THR 27 2HG2 THR 48 -9.387 -8.308 -13.387 353 2HG2 THR 27 1HG2 THR 48 -8.723 -7.094 -12.294 354 3HG2 THR 27 3HG2 THR 48 -9.292 -6.621 -13.877 355 HA PRO 28 HA PRO 49 -2.849 -9.328 -14.995 356 1HB PRO 28 1HB PRO 49 -1.161 -10.455 -13.100 357 2HB PRO 28 2HB PRO 49 -1.678 -8.776 -13.070 358 1HG PRO 28 2HG PRO 49 -2.343 -11.024 -11.310 359 2HG PRO 28 1HG PRO 49 -2.784 -9.332 -11.089 360 1HD PRO 28 1HD PRO 49 -4.378 -11.561 -12.369 361 2HD PRO 28 2HD PRO 49 -4.927 -10.132 -11.491 362 H LYS 29 H LYS 50 -1.272 -10.974 -15.938 363 HA LYS 29 HA LYS 50 -2.617 -13.589 -16.358 364 1HB LYS 29 1HB LYS 50 -0.236 -12.308 -17.744 365 2HB LYS 29 2HB LYS 50 -0.998 -13.775 -18.266 366 1HG LYS 29 2HG LYS 50 -2.281 -11.002 -18.133 367 2HG LYS 29 1HG LYS 50 -1.744 -11.806 -19.594 368 1HD LYS 29 2HD LYS 50 -4.005 -12.792 -17.767 369 2HD LYS 29 1HD LYS 50 -4.201 -11.978 -19.304 370 1HE LYS 29 2HE LYS 50 -2.815 -14.661 -18.932 371 2HE LYS 29 1HE LYS 50 -4.435 -14.432 -19.565 372 1HZ LYS 29 1HZ LYS 50 -2.736 -12.764 -21.011 373 2HZ LYS 29 3HZ LYS 50 -2.008 -14.297 -20.928 374 3HZ LYS 29 2HZ LYS 50 -3.588 -14.136 -21.551 375 H THR 30 H THR 51 -1.778 -15.443 -15.614 376 HA THR 30 HA THR 51 0.961 -15.451 -14.409 377 HB THR 30 HB THR 51 -0.805 -15.331 -12.563 378 HG1 THR 30 HG1 THR 51 1.039 -16.333 -12.062 379 1HG2 THR 30 2HG2 THR 51 -2.621 -16.852 -13.699 380 2HG2 THR 30 1HG2 THR 51 -1.488 -18.188 -13.488 381 3HG2 THR 30 3HG2 THR 51 -2.144 -17.355 -12.095 No H/Q in entry = 381 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -6.596 -2.650 -0.786 2 2H GLY 1 3H GLY 1 -8.000 -2.682 0.174 3 3H GLY 1 2H GLY 1 -7.808 -3.770 -1.120 4 1HA GLY 1 2HA GLY 1 -8.748 -2.398 -2.525 5 2HA GLY 1 1HA GLY 1 -9.064 -1.309 -1.175 6 H ILE 2 H ILE 2 -7.857 0.500 -0.971 7 HA ILE 2 HA ILE 2 -6.434 2.279 -1.580 8 HB ILE 2 HB ILE 2 -4.514 0.160 -2.638 9 1HG1 ILE 2 2HG1 ILE 2 -5.368 -0.785 -0.495 10 2HG1 ILE 2 1HG1 ILE 2 -3.739 -0.214 -0.270 11 1HG2 ILE 2 1HG2 ILE 2 -4.086 2.741 -1.094 12 2HG2 ILE 2 3HG2 ILE 2 -2.795 1.616 -1.518 13 3HG2 ILE 2 2HG2 ILE 2 -3.622 2.479 -2.754 14 1HD1 ILE 2 1HD ILE 2 -6.242 1.343 0.577 15 2HD1 ILE 2 3HD ILE 2 -5.151 0.468 1.635 16 3HD1 ILE 2 2HD ILE 2 -4.590 1.884 0.800 17 H VAL 3 H VAL 3 -4.847 2.628 -3.758 18 HA VAL 3 HA VAL 3 -5.020 3.497 -5.940 19 HB VAL 3 HB VAL 3 -5.025 1.757 -7.574 20 1HG1 VAL 3 2HG1 VAL 3 -3.271 1.357 -5.881 21 2HG1 VAL 3 1HG1 VAL 3 -4.374 0.350 -4.967 22 3HG1 VAL 3 3HG1 VAL 3 -3.831 -0.160 -6.548 23 1HG2 VAL 3 1HG2 VAL 3 -7.325 0.745 -7.243 24 2HG2 VAL 3 3HG2 VAL 3 -6.087 -0.459 -7.372 25 3HG2 VAL 3 2HG2 VAL 3 -6.744 -0.074 -5.800 26 H GLU 4 H GLU 4 -6.747 3.026 -8.010 27 HA GLU 4 HA GLU 4 -8.735 3.985 -8.831 28 1HB GLU 4 1HB GLU 4 -9.379 1.744 -7.765 29 2HB GLU 4 2HB GLU 4 -9.854 2.631 -6.334 30 1HG GLU 4 2HG GLU 4 -11.863 2.216 -7.463 31 2HG GLU 4 1HG GLU 4 -11.527 3.896 -7.860 32 H GLN 5 H GLN 5 -7.599 5.874 -8.096 33 HA GLN 5 HA GLN 5 -8.586 8.171 -7.723 34 1HB GLN 5 1HB GLN 5 -9.981 7.384 -5.589 35 2HB GLN 5 2HB GLN 5 -8.443 7.227 -4.771 36 1HG GLN 5 2HG GLN 5 -9.822 9.380 -4.390 37 2HG GLN 5 1HG GLN 5 -8.121 9.597 -4.686 38 1HE2 GLN 5 1HE2 GLN 5 -10.810 11.355 -7.132 39 2HE2 GLN 5 2HE2 GLN 5 -11.305 10.496 -5.746 40 H CYS 6 H CYS 6 -6.922 9.733 -6.575 41 HA CYS 6 HA CYS 6 -4.251 8.403 -6.681 42 1HB CYS 6 1HB CYS 6 -4.803 11.316 -6.930 43 2HB CYS 6 2HB CYS 6 -3.369 10.480 -7.460 44 H CYS 7 H CYS 7 -2.811 8.660 -5.207 45 HA CYS 7 HA CYS 7 -1.968 8.700 -3.058 46 1HB CYS 7 1HB CYS 7 -2.082 11.216 -4.221 47 2HB CYS 7 2HB CYS 7 -2.819 11.567 -2.664 48 H THR 8 H THR 8 -4.307 7.685 -3.355 49 HA THR 8 HA THR 8 -6.630 7.702 -2.525 50 HB THR 8 HB THR 8 -6.312 5.552 -1.143 51 HG1 THR 8 HG1 THR 8 -4.459 6.028 -0.048 52 1HG2 THR 8 2HG2 THR 8 -6.068 5.553 -3.749 53 2HG2 THR 8 1HG2 THR 8 -4.348 5.840 -3.483 54 3HG2 THR 8 3HG2 THR 8 -5.095 4.368 -2.894 55 H SER 9 H SER 9 -4.391 7.899 0.181 56 HA SER 9 HA SER 9 -6.401 9.423 1.730 57 1HB SER 9 2HB SER 9 -5.943 7.788 3.714 58 2HB SER 9 1HB SER 9 -6.848 7.094 2.366 59 HG SER 9 HG SER 9 -5.261 5.790 2.080 60 H ILE 10 H ILE 10 -3.348 7.883 2.223 61 HA ILE 10 HA ILE 10 -2.068 10.494 2.915 62 HB ILE 10 HB ILE 10 -1.419 7.988 4.508 63 1HG1 ILE 10 2HG1 ILE 10 -3.684 9.976 5.132 64 2HG1 ILE 10 1HG1 ILE 10 -3.874 8.277 4.735 65 1HG2 ILE 10 2HG2 ILE 10 0.093 10.012 4.689 66 2HG2 ILE 10 1HG2 ILE 10 -1.282 10.978 5.200 67 3HG2 ILE 10 3HG2 ILE 10 -0.696 9.679 6.207 68 1HD1 ILE 10 2HD ILE 10 -2.661 7.622 6.797 69 2HD1 ILE 10 1HD ILE 10 -2.473 9.312 7.219 70 3HD1 ILE 10 3HD ILE 10 -4.075 8.601 7.147 71 H CYS 11 H CYS 11 -2.008 8.042 0.824 72 HA CYS 11 HA CYS 11 -0.278 6.747 -0.235 73 1HB CYS 11 1HB CYS 11 1.243 8.732 -1.322 74 2HB CYS 11 2HB CYS 11 -0.360 8.353 -1.856 75 H SER 12 H SER 12 0.440 6.112 2.023 76 HA SER 12 HA SER 12 3.318 6.752 2.422 77 1HB SER 12 2HB SER 12 2.907 6.480 4.902 78 2HB SER 12 1HB SER 12 1.842 7.725 4.213 79 HG SER 12 HG SER 12 0.306 6.525 4.947 80 H LEU 13 H LEU 13 4.627 5.191 2.832 81 HA LEU 13 HA LEU 13 4.519 2.699 1.770 82 1HB LEU 13 1HB LEU 13 6.396 2.118 3.526 83 2HB LEU 13 2HB LEU 13 6.636 3.298 2.276 84 HG LEU 13 HG LEU 13 6.050 5.084 4.100 85 1HD1 LEU 13 2HD1 LEU 13 5.080 3.470 5.833 86 2HD1 LEU 13 1HD1 LEU 13 6.659 2.726 5.948 87 3HD1 LEU 13 3HD1 LEU 13 6.443 4.392 6.443 88 1HD2 LEU 13 2HD2 LEU 13 8.509 3.325 4.418 89 2HD2 LEU 13 1HD2 LEU 13 8.335 4.641 3.266 90 3HD2 LEU 13 3HD2 LEU 13 8.369 4.978 4.990 91 H TYR 14 H TYR 14 3.513 3.138 5.069 92 HA TYR 14 HA TYR 14 3.482 0.347 5.760 93 1HB TYR 14 1HB TYR 14 2.936 2.655 7.161 94 2HB TYR 14 2HB TYR 14 1.299 2.053 6.952 95 HD1 TYR 14 HD1 TYR 14 1.140 -0.686 7.341 96 HD2 TYR 14 HD2 TYR 14 4.032 1.921 9.073 97 HE1 TYR 14 HE1 TYR 14 1.530 -2.302 9.124 98 HE2 TYR 14 HE2 TYR 14 4.408 0.299 10.874 99 HH TYR 14 HH TYR 14 2.763 -2.831 10.905 100 H GLN 15 H GLN 15 1.321 2.358 3.952 101 HA GLN 15 HA GLN 15 -0.939 0.602 3.891 102 1HB GLN 15 1HB GLN 15 -1.033 3.016 3.322 103 2HB GLN 15 2HB GLN 15 -0.064 2.808 1.898 104 1HG GLN 15 2HG GLN 15 -1.894 1.153 1.100 105 2HG GLN 15 1HG GLN 15 -2.879 1.844 2.378 106 1HE2 GLN 15 1HE2 GLN 15 -3.580 4.734 0.475 107 2HE2 GLN 15 2HE2 GLN 15 -3.938 3.806 1.849 108 H LEU 16 H LEU 16 2.106 0.873 2.002 109 HA LEU 16 HA LEU 16 1.204 -1.127 0.081 110 1HB LEU 16 1HB LEU 16 4.054 -0.122 0.608 111 2HB LEU 16 2HB LEU 16 3.459 -0.908 -0.844 112 HG LEU 16 HG LEU 16 2.508 1.851 0.104 113 1HD1 LEU 16 1HD1 LEU 16 4.483 1.035 -2.073 114 2HD1 LEU 16 3HD1 LEU 16 3.928 2.675 -1.789 115 3HD1 LEU 16 2HD1 LEU 16 4.892 1.863 -0.570 116 1HD2 LEU 16 1HD2 LEU 16 0.852 0.627 -1.359 117 2HD2 LEU 16 3HD2 LEU 16 1.532 2.028 -2.159 118 3HD2 LEU 16 2HD2 LEU 16 2.120 0.442 -2.567 119 H GLU 17 H GLU 17 2.748 -0.976 3.150 120 HA GLU 17 HA GLU 17 3.998 -3.579 3.128 121 1HB GLU 17 1HB GLU 17 3.250 -1.601 5.294 122 2HB GLU 17 2HB GLU 17 3.990 -3.126 5.688 123 1HG GLU 17 2HG GLU 17 5.980 -2.642 4.404 124 2HG GLU 17 1HG GLU 17 5.260 -1.254 3.618 125 H ASN 18 H ASN 18 0.788 -2.575 3.291 126 HA ASN 18 HA ASN 18 -0.361 -4.570 5.028 127 1HB ASN 18 1HB ASN 18 -1.635 -2.539 4.334 128 2HB ASN 18 2HB ASN 18 -1.553 -3.040 2.660 129 1HD2 ASN 18 1HD2 ASN 18 -3.858 -5.732 4.629 130 2HD2 ASN 18 2HD2 ASN 18 -2.200 -5.605 4.988 131 H TYR 19 H TYR 19 1.056 -4.663 1.942 132 HA TYR 19 HA TYR 19 -0.272 -7.206 1.138 133 1HB TYR 19 1HB TYR 19 1.559 -5.311 -0.376 134 2HB TYR 19 2HB TYR 19 0.769 -6.723 -1.069 135 HD1 TYR 19 HD2 TYR 19 -1.708 -6.779 -1.310 136 HD2 TYR 19 HD1 TYR 19 0.223 -3.321 0.228 137 HE1 TYR 19 HE2 TYR 19 -3.756 -5.503 -1.619 138 HE2 TYR 19 HE1 TYR 19 -1.826 -2.022 -0.095 139 HH TYR 19 HH TYR 19 -4.666 -3.058 -0.293 140 H CYS 20 H CYS 20 2.481 -6.164 2.713 141 HA CYS 20 HA CYS 20 4.097 -8.545 1.933 142 1HB CYS 20 1HB CYS 20 4.792 -5.860 3.116 143 2HB CYS 20 2HB CYS 20 5.814 -7.228 3.432 144 H ASN 21 H ASN 21 2.712 -6.980 4.890 145 HA ASN 21 HA ASN 21 3.180 -9.601 6.281 146 1HB ASN 21 1HB ASN 21 3.526 -8.402 8.401 147 2HB ASN 21 2HB ASN 21 4.649 -7.760 7.218 148 1HD2 ASN 21 1HD2 ASN 21 3.551 -4.487 7.858 149 2HD2 ASN 21 2HD2 ASN 21 4.808 -5.543 7.405 150 1H PHE 1 1H PHE 22 6.932 10.073 2.947 151 2H PHE 1 3H PHE 22 6.111 9.612 4.361 152 3H PHE 1 2H PHE 22 6.160 8.558 3.023 153 HA PHE 1 HA PHE 22 4.317 9.431 2.234 154 1HB PHE 1 2HB PHE 22 3.428 9.769 4.350 155 2HB PHE 1 1HB PHE 22 4.665 10.921 4.831 156 HD1 PHE 1 HD1 PHE 22 2.077 10.808 2.069 157 HD2 PHE 1 HD2 PHE 22 3.735 12.965 5.371 158 HE1 PHE 1 HE1 PHE 22 0.499 12.647 1.678 159 HE2 PHE 1 HE2 PHE 22 2.149 14.777 4.972 160 HZ PHE 1 HZ PHE 22 0.517 14.617 3.120 161 H VAL 2 H VAL 23 4.264 10.413 0.391 162 HA VAL 2 HA VAL 23 5.602 13.064 -0.001 163 HB VAL 2 HB VAL 23 5.862 12.411 -2.398 164 1HG1 VAL 2 1HG1 VAL 23 7.003 10.318 -0.514 165 2HG1 VAL 2 3HG1 VAL 23 7.568 10.655 -2.146 166 3HG1 VAL 2 2HG1 VAL 23 7.737 11.869 -0.897 167 1HG2 VAL 2 2HG2 VAL 23 4.657 9.738 -1.545 168 2HG2 VAL 2 1HG2 VAL 23 3.893 10.914 -2.601 169 3HG2 VAL 2 3HG2 VAL 23 5.351 10.081 -3.114 170 H ASN 3 H ASN 24 4.646 13.893 -2.240 171 HA ASN 3 HA ASN 24 1.673 13.843 -2.228 172 1HB ASN 3 1HB ASN 24 1.752 16.391 -2.462 173 2HB ASN 3 2HB ASN 24 2.188 15.818 -0.859 174 1HD2 ASN 3 1HD2 ASN 24 4.830 17.973 -2.991 175 2HD2 ASN 3 2HD2 ASN 24 3.214 17.724 -3.460 176 H GLN 4 H GLN 25 2.162 12.499 -4.133 177 HA GLN 4 HA GLN 25 2.954 14.096 -6.494 178 1HB GLN 4 1HB GLN 25 4.607 12.363 -5.830 179 2HB GLN 4 2HB GLN 25 3.374 11.142 -5.763 180 1HG GLN 4 2HG GLN 25 4.812 10.933 -7.777 181 2HG GLN 4 1HG GLN 25 3.165 11.196 -8.280 182 1HE2 GLN 4 1HE2 GLN 25 4.146 14.119 -10.047 183 2HE2 GLN 4 2HE2 GLN 25 3.031 12.854 -9.885 184 H HIS 5 H HIS 26 1.941 12.338 -8.507 185 HA HIS 5 HA HIS 26 -0.994 12.263 -7.989 186 1HB HIS 5 1HB HIS 26 0.516 12.365 -10.656 187 2HB HIS 5 2HB HIS 26 -1.218 12.575 -10.433 188 HD1 HIS 5 HD1 HIS 26 -1.741 14.849 -8.881 189 HD2 HIS 5 HD2 HIS 26 1.950 14.644 -10.613 190 HE1 HIS 5 HE1 HIS 26 -0.813 17.145 -8.833 191 H LEU 6 H LEU 27 -0.198 10.349 -6.816 192 HA LEU 6 HA LEU 27 0.600 7.957 -8.353 193 1HB LEU 6 1HB LEU 27 -0.027 8.351 -5.377 194 2HB LEU 6 2HB LEU 27 0.758 6.933 -6.048 195 HG LEU 6 HG LEU 27 1.849 9.772 -6.201 196 1HD1 LEU 6 1HD1 LEU 27 2.679 7.492 -4.377 197 2HD1 LEU 6 3HD1 LEU 27 3.520 9.036 -4.548 198 3HD1 LEU 6 2HD1 LEU 27 1.890 8.983 -3.898 199 1HD2 LEU 6 2HD2 LEU 27 3.167 7.078 -6.874 200 2HD2 LEU 6 1HD2 LEU 27 2.685 8.271 -8.053 201 3HD2 LEU 6 3HD2 LEU 27 3.979 8.642 -6.943 202 H CYS 7 H CYS 28 -1.183 7.660 -9.661 203 HA CYS 7 HA CYS 28 -3.825 7.210 -8.353 204 1HB CYS 7 1HB CYS 28 -3.241 7.583 -11.269 205 2HB CYS 7 2HB CYS 28 -4.777 7.710 -10.464 206 H GLY 8 H GLY 29 -2.006 5.032 -8.146 207 1HA GLY 8 1HA GLY 29 -2.707 2.708 -8.188 208 2HA GLY 8 2HA GLY 29 -3.586 2.959 -9.639 209 H SER 9 H SER 30 -1.602 4.061 -11.409 210 HA SER 9 HA SER 30 -0.097 1.971 -12.294 211 1HB SER 9 2HB SER 30 1.233 3.643 -13.549 212 2HB SER 9 1HB SER 30 -0.445 4.178 -13.444 213 HG SER 9 HG SER 30 1.767 5.355 -12.330 214 H HIS 10 H HIS 31 0.914 4.212 -9.879 215 HA HIS 10 HA HIS 31 3.556 3.075 -9.570 216 1HB HIS 10 1HB HIS 31 2.221 5.465 -8.286 217 2HB HIS 10 2HB HIS 31 3.837 4.914 -7.884 218 HD1 HIS 10 HD1 HIS 31 4.310 7.367 -9.038 219 HD2 HIS 10 HD2 HIS 31 3.351 4.342 -11.594 220 HE1 HIS 10 HE1 HIS 31 5.062 8.089 -11.284 221 H LEU 11 H LEU 32 0.460 3.038 -8.013 222 HA LEU 11 HA LEU 32 1.374 2.000 -5.466 223 1HB LEU 11 1HB LEU 32 -1.406 1.712 -6.724 224 2HB LEU 11 2HB LEU 32 -1.019 1.610 -5.023 225 HG LEU 11 HG LEU 32 -0.795 4.139 -6.748 226 1HD1 LEU 11 1HD1 LEU 32 -2.817 3.330 -4.620 227 2HD1 LEU 11 3HD1 LEU 32 -2.745 4.912 -5.396 228 3HD1 LEU 11 2HD1 LEU 32 -3.092 3.480 -6.343 229 1HD2 LEU 11 2HD2 LEU 32 -0.436 3.785 -3.742 230 2HD2 LEU 11 1HD2 LEU 32 0.843 4.143 -4.890 231 3HD2 LEU 11 3HD2 LEU 32 -0.432 5.319 -4.606 232 H VAL 12 H VAL 33 0.744 0.889 -8.577 233 HA VAL 12 HA VAL 33 0.486 -1.965 -8.072 234 HB VAL 12 HB VAL 33 0.359 -0.072 -10.452 235 1HG1 VAL 12 1HG1 VAL 33 0.300 -3.123 -10.654 236 2HG1 VAL 12 3HG1 VAL 33 -0.050 -1.995 -11.958 237 3HG1 VAL 12 2HG1 VAL 33 1.571 -2.107 -11.313 238 1HG2 VAL 12 1HG2 VAL 33 -1.589 -0.422 -8.984 239 2HG2 VAL 12 3HG2 VAL 33 -1.909 -1.046 -10.575 240 3HG2 VAL 12 2HG2 VAL 33 -1.500 -2.145 -9.252 241 H GLU 13 H GLU 34 2.848 0.241 -9.686 242 HA GLU 13 HA GLU 34 4.707 -1.924 -10.098 243 1HB GLU 13 1HB GLU 34 4.833 0.333 -11.264 244 2HB GLU 13 2HB GLU 34 5.497 0.969 -9.777 245 1HG GLU 13 2HG GLU 34 7.174 0.397 -11.368 246 2HG GLU 13 1HG GLU 34 7.399 -0.209 -9.739 247 H ALA 14 H ALA 35 4.117 0.178 -7.296 248 HA ALA 14 HA ALA 35 6.547 -0.590 -5.885 249 1HB ALA 14 2HB ALA 35 5.431 1.574 -5.467 250 2HB ALA 14 1HB ALA 35 3.992 0.739 -4.890 251 3HB ALA 14 3HB ALA 35 5.499 0.627 -3.987 252 H LEU 15 H LEU 36 3.200 -1.820 -5.986 253 HA LEU 15 HA LEU 36 3.735 -3.547 -3.678 254 1HB LEU 15 1HB LEU 36 1.279 -3.048 -5.428 255 2HB LEU 15 2HB LEU 36 1.486 -4.709 -4.970 256 HG LEU 15 HG LEU 36 1.318 -4.075 -2.607 257 1HD1 LEU 15 1HD1 LEU 36 0.708 -1.263 -3.660 258 2HD1 LEU 15 3HD1 LEU 36 0.552 -1.775 -2.004 259 3HD1 LEU 15 2HD1 LEU 36 2.142 -1.693 -2.743 260 1HD2 LEU 15 2HD2 LEU 36 -0.889 -3.103 -4.484 261 2HD2 LEU 15 1HD2 LEU 36 -0.663 -4.740 -3.910 262 3HD2 LEU 15 3HD2 LEU 36 -1.132 -3.509 -2.785 263 H TYR 16 H TYR 37 3.526 -3.911 -7.147 264 HA TYR 16 HA TYR 37 3.938 -6.737 -7.152 265 1HB TYR 16 1HB TYR 37 4.503 -4.783 -9.407 266 2HB TYR 16 2HB TYR 37 4.463 -6.515 -9.536 267 HD1 TYR 16 HD2 TYR 37 1.774 -5.199 -7.377 268 HD2 TYR 16 HD1 TYR 37 2.943 -6.021 -11.388 269 HE1 TYR 16 HE2 TYR 37 -0.550 -5.143 -8.061 270 HE2 TYR 16 HE1 TYR 37 0.604 -5.987 -12.072 271 HH TYR 16 HH TYR 37 -1.538 -5.904 -11.375 272 H LEU 17 H LEU 38 6.155 -4.204 -6.618 273 HA LEU 17 HA LEU 38 8.455 -5.890 -7.460 274 1HB LEU 17 1HB LEU 38 8.367 -3.601 -8.318 275 2HB LEU 17 2HB LEU 38 8.289 -2.951 -6.705 276 HG LEU 17 HG LEU 38 10.577 -3.976 -6.253 277 1HD1 LEU 17 1HD1 LEU 38 10.533 -4.446 -9.269 278 2HD1 LEU 17 3HD1 LEU 38 11.934 -4.659 -8.212 279 3HD1 LEU 17 2HD1 LEU 38 10.544 -5.715 -8.058 280 1HD2 LEU 17 2HD2 LEU 38 10.387 -2.025 -8.581 281 2HD2 LEU 17 1HD2 LEU 38 10.330 -1.590 -6.877 282 3HD2 LEU 17 3HD2 LEU 38 11.800 -2.261 -7.561 283 H VAL 18 H VAL 39 6.920 -4.521 -4.583 284 HA VAL 18 HA VAL 39 9.181 -5.516 -2.923 285 HB VAL 18 HB VAL 39 6.872 -3.675 -2.136 286 1HG1 VAL 18 1HG1 VAL 39 9.648 -4.248 -0.954 287 2HG1 VAL 18 3HG1 VAL 39 8.526 -3.084 -0.278 288 3HG1 VAL 18 2HG1 VAL 39 8.146 -4.803 -0.243 289 1HG2 VAL 18 2HG2 VAL 39 9.696 -2.970 -3.093 290 2HG2 VAL 18 1HG2 VAL 39 8.215 -2.611 -3.956 291 3HG2 VAL 18 3HG2 VAL 39 8.540 -1.810 -2.433 292 H CYS 19 H CYS 40 5.736 -5.662 -3.256 293 HA CYS 19 HA CYS 40 5.568 -8.124 -1.529 294 1HB CYS 19 1HB CYS 40 3.433 -6.018 -1.876 295 2HB CYS 19 2HB CYS 40 3.449 -7.340 -0.745 296 H GLY 20 H GLY 41 6.155 -8.064 -4.399 297 1HA GLY 20 1HA GLY 41 3.574 -8.638 -5.730 298 2HA GLY 20 2HA GLY 41 5.097 -8.313 -6.508 299 H GLU 21 H GLU 42 6.363 -10.225 -4.558 300 HA GLU 21 HA GLU 42 5.719 -12.762 -6.043 301 1HB GLU 21 1HB GLU 42 8.248 -11.991 -4.493 302 2HB GLU 21 2HB GLU 42 8.030 -13.439 -5.468 303 1HG GLU 21 2HG GLU 42 9.400 -11.833 -6.729 304 2HG GLU 21 1HG GLU 42 7.848 -12.035 -7.517 305 H ARG 22 H ARG 43 4.132 -11.722 -4.110 306 HA ARG 22 HA ARG 43 4.386 -13.738 -1.975 307 1HB ARG 22 1HB ARG 43 5.611 -11.537 -1.441 308 2HB ARG 22 2HB ARG 43 4.036 -10.796 -1.377 309 1HG ARG 22 2HG ARG 43 4.038 -13.237 0.222 310 2HG ARG 22 1HG ARG 43 5.393 -12.227 0.670 311 1HD ARG 22 2HD ARG 43 3.773 -10.264 0.771 312 2HD ARG 22 1HD ARG 43 2.455 -11.417 0.679 313 HE ARG 22 HE ARG 43 4.504 -11.463 2.838 314 1HH1 ARG 22 2HH2 ARG 43 3.433 -13.822 3.370 315 2HH1 ARG 22 1HH2 ARG 43 1.887 -13.582 4.116 316 1HH2 ARG 22 2HH1 ARG 43 1.633 -10.287 2.938 317 2HH2 ARG 22 1HH1 ARG 43 0.829 -11.520 3.850 318 H GLY 23 H GLY 44 2.560 -14.258 -3.579 319 1HA GLY 23 1HA GLY 44 0.188 -14.133 -4.234 320 2HA GLY 23 2HA GLY 44 0.214 -14.785 -2.642 321 H PHE 24 H PHE 45 0.225 -11.299 -3.911 322 HA PHE 24 HA PHE 45 -1.200 -10.632 -1.582 323 1HB PHE 24 1HB PHE 45 -0.464 -8.320 -2.211 324 2HB PHE 24 2HB PHE 45 0.922 -9.415 -2.100 325 HD1 PHE 24 HD1 PHE 45 1.454 -10.592 -4.638 326 HD2 PHE 24 HD2 PHE 45 -0.603 -6.904 -3.958 327 HE1 PHE 24 HE1 PHE 45 1.888 -9.925 -6.917 328 HE2 PHE 24 HE2 PHE 45 -0.135 -6.248 -6.260 329 HZ PHE 24 HZ PHE 45 1.111 -7.744 -7.746 330 H PHE 25 H PHE 46 -3.225 -8.927 -2.230 331 HA PHE 25 HA PHE 46 -3.994 -8.884 -5.002 332 1HB PHE 25 1HB PHE 46 -4.942 -11.047 -4.118 333 2HB PHE 25 2HB PHE 46 -5.699 -10.160 -2.800 334 HD1 PHE 25 HD2 PHE 46 -7.515 -8.557 -3.289 335 HD2 PHE 25 HD1 PHE 46 -5.729 -10.798 -6.438 336 HE1 PHE 25 HE2 PHE 46 -9.352 -7.931 -4.779 337 HE2 PHE 25 HE1 PHE 46 -7.552 -10.178 -7.926 338 HZ PHE 25 HZ PHE 46 -9.394 -8.733 -7.101 339 H TYR 26 H TYR 47 -4.740 -6.801 -5.212 340 HA TYR 26 HA TYR 47 -5.594 -5.420 -2.732 341 1HB TYR 26 1HB TYR 47 -4.875 -3.282 -3.802 342 2HB TYR 26 2HB TYR 47 -3.559 -4.410 -3.772 343 HD1 TYR 26 HD2 TYR 47 -3.150 -5.828 -5.940 344 HD2 TYR 26 HD1 TYR 47 -5.330 -2.173 -5.853 345 HE1 TYR 26 HE2 TYR 47 -2.772 -5.535 -8.339 346 HE2 TYR 26 HE1 TYR 47 -4.944 -1.893 -8.260 347 HH TYR 26 HH TYR 47 -2.973 -4.218 -10.071 348 H THR 27 H THR 48 -5.984 -5.187 -5.817 349 HA THR 27 HA THR 48 -8.785 -5.982 -6.107 350 HB THR 27 HB THR 48 -9.299 -3.970 -4.889 351 HG1 THR 27 HG1 THR 48 -10.823 -3.812 -6.251 352 1HG2 THR 27 1HG2 THR 48 -7.689 -2.384 -6.911 353 2HG2 THR 27 3HG2 THR 48 -8.656 -1.744 -5.588 354 3HG2 THR 27 2HG2 THR 48 -7.242 -2.709 -5.238 355 HA PRO 28 HA PRO 49 -7.332 -5.554 -10.446 356 1HB PRO 28 1HB PRO 49 -5.678 -7.536 -11.019 357 2HB PRO 28 2HB PRO 49 -5.033 -6.110 -10.223 358 1HG PRO 28 2HG PRO 49 -5.985 -8.734 -8.985 359 2HG PRO 28 1HG PRO 49 -4.422 -7.967 -8.731 360 1HD PRO 28 1HD PRO 49 -6.522 -7.618 -6.970 361 2HD PRO 28 2HD PRO 49 -5.360 -6.341 -7.272 362 H LYS 29 H LYS 50 -9.661 -6.181 -9.949 363 HA LYS 29 HA LYS 50 -11.302 -8.050 -9.706 364 1HB LYS 29 1HB LYS 50 -11.904 -6.359 -11.415 365 2HB LYS 29 2HB LYS 50 -10.943 -7.197 -12.622 366 1HG LYS 29 2HG LYS 50 -12.456 -9.223 -12.404 367 2HG LYS 29 1HG LYS 50 -13.397 -8.364 -11.199 368 1HD LYS 29 2HD LYS 50 -14.052 -6.690 -12.897 369 2HD LYS 29 1HD LYS 50 -13.018 -7.452 -14.085 370 1HE LYS 29 2HE LYS 50 -15.324 -8.239 -14.463 371 2HE LYS 29 1HE LYS 50 -14.353 -9.577 -13.871 372 1HZ LYS 29 1HZ LYS 50 -15.453 -8.286 -11.654 373 2HZ LYS 29 3HZ LYS 50 -16.691 -8.532 -12.787 374 3HZ LYS 29 2HZ LYS 50 -15.767 -9.849 -12.247 375 H THR 30 H THR 51 -10.757 -10.022 -9.224 376 HA THR 30 HA THR 51 -10.126 -11.903 -11.475 377 HB THR 30 HB THR 51 -8.085 -11.434 -9.867 378 HG1 THR 30 HG1 THR 51 -7.616 -13.313 -10.612 379 1HG2 THR 30 2HG2 THR 51 -9.418 -11.744 -7.652 380 2HG2 THR 30 1HG2 THR 51 -9.645 -13.421 -8.128 381 3HG2 THR 30 3HG2 THR 51 -8.024 -12.787 -7.861 No H/Q in entry = 381 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -6.205 -2.538 -0.493 2 2H GLY 1 3H GLY 1 -7.580 -2.517 0.509 3 3H GLY 1 2H GLY 1 -7.438 -3.656 -0.748 4 1HA GLY 1 2HA GLY 1 -8.406 -2.328 -2.174 5 2HA GLY 1 1HA GLY 1 -8.670 -1.185 -0.858 6 H ILE 2 H ILE 2 -7.438 0.617 -0.761 7 HA ILE 2 HA ILE 2 -6.016 2.354 -1.480 8 HB ILE 2 HB ILE 2 -4.152 0.175 -2.514 9 1HG1 ILE 2 2HG1 ILE 2 -4.949 -0.677 -0.311 10 2HG1 ILE 2 1HG1 ILE 2 -3.308 -0.117 -0.158 11 1HG2 ILE 2 1HG2 ILE 2 -3.650 2.807 -1.084 12 2HG2 ILE 2 3HG2 ILE 2 -2.384 1.653 -1.504 13 3HG2 ILE 2 2HG2 ILE 2 -3.240 2.477 -2.746 14 1HD1 ILE 2 1HD ILE 2 -5.768 1.499 0.705 15 2HD1 ILE 2 3HD ILE 2 -4.654 0.653 1.762 16 3HD1 ILE 2 2HD ILE 2 -4.104 2.029 0.856 17 H VAL 3 H VAL 3 -4.494 2.603 -3.717 18 HA VAL 3 HA VAL 3 -4.725 3.390 -5.924 19 HB VAL 3 HB VAL 3 -4.799 1.590 -7.490 20 1HG1 VAL 3 2HG1 VAL 3 -2.997 1.234 -5.836 21 2HG1 VAL 3 1HG1 VAL 3 -4.082 0.275 -4.852 22 3HG1 VAL 3 3HG1 VAL 3 -3.592 -0.300 -6.428 23 1HG2 VAL 3 1HG2 VAL 3 -7.098 0.617 -7.051 24 2HG2 VAL 3 3HG2 VAL 3 -5.877 -0.605 -7.171 25 3HG2 VAL 3 2HG2 VAL 3 -6.481 -0.152 -5.596 26 H GLU 4 H GLU 4 -6.519 2.862 -7.921 27 HA GLU 4 HA GLU 4 -8.522 3.811 -8.719 28 1HB GLU 4 1HB GLU 4 -9.157 1.620 -7.547 29 2HB GLU 4 2HB GLU 4 -9.578 2.566 -6.138 30 1HG GLU 4 2HG GLU 4 -11.624 2.131 -7.188 31 2HG GLU 4 1HG GLU 4 -11.284 3.791 -7.659 32 H GLN 5 H GLN 5 -7.345 5.713 -8.091 33 HA GLN 5 HA GLN 5 -8.296 8.035 -7.776 34 1HB GLN 5 1HB GLN 5 -9.633 7.344 -5.571 35 2HB GLN 5 2HB GLN 5 -8.071 7.201 -4.796 36 1HG GLN 5 2HG GLN 5 -9.416 9.382 -4.455 37 2HG GLN 5 1HG GLN 5 -7.723 9.569 -4.811 38 1HE2 GLN 5 1HE2 GLN 5 -10.467 11.264 -7.239 39 2HE2 GLN 5 2HE2 GLN 5 -10.928 10.463 -5.807 40 H CYS 6 H CYS 6 -6.581 9.620 -6.739 41 HA CYS 6 HA CYS 6 -3.928 8.256 -6.876 42 1HB CYS 6 1HB CYS 6 -4.457 11.163 -7.220 43 2HB CYS 6 2HB CYS 6 -3.050 10.292 -7.760 44 H CYS 7 H CYS 7 -2.441 8.552 -5.456 45 HA CYS 7 HA CYS 7 -1.531 8.663 -3.338 46 1HB CYS 7 1HB CYS 7 -1.655 11.135 -4.593 47 2HB CYS 7 2HB CYS 7 -2.340 11.552 -3.029 48 H THR 8 H THR 8 -3.889 7.664 -3.524 49 HA THR 8 HA THR 8 -6.185 7.740 -2.625 50 HB THR 8 HB THR 8 -5.847 5.640 -1.172 51 HG1 THR 8 HG1 THR 8 -3.957 6.137 -0.153 52 1HG2 THR 8 2HG2 THR 8 -5.683 5.540 -3.783 53 2HG2 THR 8 1HG2 THR 8 -3.954 5.817 -3.580 54 3HG2 THR 8 3HG2 THR 8 -4.697 4.378 -2.913 55 H SER 9 H SER 9 -3.862 8.013 0.002 56 HA SER 9 HA SER 9 -5.808 9.618 1.552 57 1HB SER 9 2HB SER 9 -5.305 8.055 3.582 58 2HB SER 9 1HB SER 9 -6.258 7.320 2.289 59 HG SER 9 HG SER 9 -4.695 5.988 2.006 60 H ILE 10 H ILE 10 -2.756 8.063 2.010 61 HA ILE 10 HA ILE 10 -1.429 10.683 2.563 62 HB ILE 10 HB ILE 10 -0.757 8.232 4.230 63 1HG1 ILE 10 2HG1 ILE 10 -2.981 10.268 4.845 64 2HG1 ILE 10 1HG1 ILE 10 -3.201 8.558 4.520 65 1HG2 ILE 10 2HG2 ILE 10 0.780 10.245 4.287 66 2HG2 ILE 10 1HG2 ILE 10 -0.567 11.244 4.803 67 3HG2 ILE 10 3HG2 ILE 10 0.035 9.979 5.840 68 1HD1 ILE 10 2HD ILE 10 -1.932 7.968 6.568 69 2HD1 ILE 10 1HD ILE 10 -1.713 9.670 6.919 70 3HD1 ILE 10 3HD ILE 10 -3.324 8.976 6.924 71 H CYS 11 H CYS 11 -1.459 8.154 0.566 72 HA CYS 11 HA CYS 11 0.224 6.799 -0.495 73 1HB CYS 11 1HB CYS 11 1.731 8.724 -1.702 74 2HB CYS 11 2HB CYS 11 0.109 8.343 -2.173 75 H SER 12 H SER 12 1.005 6.243 1.763 76 HA SER 12 HA SER 12 3.901 6.864 2.049 77 1HB SER 12 2HB SER 12 3.564 6.690 4.549 78 2HB SER 12 1HB SER 12 2.490 7.921 3.846 79 HG SER 12 HG SER 12 0.966 6.767 4.672 80 H LEU 13 H LEU 13 5.205 5.305 2.479 81 HA LEU 13 HA LEU 13 5.039 2.775 1.517 82 1HB LEU 13 1HB LEU 13 6.963 2.240 3.235 83 2HB LEU 13 2HB LEU 13 7.176 3.369 1.935 84 HG LEU 13 HG LEU 13 6.666 5.229 3.706 85 1HD1 LEU 13 2HD1 LEU 13 5.732 3.694 5.529 86 2HD1 LEU 13 1HD1 LEU 13 7.307 2.936 5.623 87 3HD1 LEU 13 3HD1 LEU 13 7.123 4.622 6.061 88 1HD2 LEU 13 2HD2 LEU 13 9.114 3.456 4.016 89 2HD2 LEU 13 1HD2 LEU 13 8.918 4.728 2.821 90 3HD2 LEU 13 3HD2 LEU 13 9.010 5.131 4.528 91 H TYR 14 H TYR 14 4.139 3.351 4.826 92 HA TYR 14 HA TYR 14 4.101 0.588 5.623 93 1HB TYR 14 1HB TYR 14 3.622 2.953 6.951 94 2HB TYR 14 2HB TYR 14 1.973 2.364 6.815 95 HD1 TYR 14 HD1 TYR 14 1.798 -0.357 7.314 96 HD2 TYR 14 HD2 TYR 14 4.770 2.281 8.856 97 HE1 TYR 14 HE1 TYR 14 2.225 -1.909 9.144 98 HE2 TYR 14 HE2 TYR 14 5.183 0.724 10.705 99 HH TYR 14 HH TYR 14 3.507 -2.384 10.906 100 H GLN 15 H GLN 15 1.907 2.554 3.806 101 HA GLN 15 HA GLN 15 -0.373 0.824 3.881 102 1HB GLN 15 1HB GLN 15 -0.459 3.215 3.223 103 2HB GLN 15 2HB GLN 15 0.463 2.943 1.780 104 1HG GLN 15 2HG GLN 15 -1.408 1.280 1.102 105 2HG GLN 15 1HG GLN 15 -2.345 2.030 2.382 106 1HE2 GLN 15 1HE2 GLN 15 -3.074 4.853 0.392 107 2HE2 GLN 15 2HE2 GLN 15 -3.401 3.982 1.811 108 H LEU 16 H LEU 16 2.614 0.988 1.891 109 HA LEU 16 HA LEU 16 1.633 -1.074 0.076 110 1HB LEU 16 1HB LEU 16 4.509 -0.082 0.478 111 2HB LEU 16 2HB LEU 16 3.861 -0.916 -0.923 112 HG LEU 16 HG LEU 16 2.969 1.888 -0.053 113 1HD1 LEU 16 1HD1 LEU 16 4.866 0.967 -2.257 114 2HD1 LEU 16 3HD1 LEU 16 4.338 2.623 -2.020 115 3HD1 LEU 16 2HD1 LEU 16 5.330 1.847 -0.801 116 1HD2 LEU 16 1HD2 LEU 16 1.255 0.629 -1.417 117 2HD2 LEU 16 3HD2 LEU 16 1.925 1.991 -2.291 118 3HD2 LEU 16 2HD2 LEU 16 2.484 0.384 -2.656 119 H GLU 17 H GLU 17 3.273 -0.825 3.090 120 HA GLU 17 HA GLU 17 4.495 -3.440 3.129 121 1HB GLU 17 1HB GLU 17 3.835 -1.373 5.239 122 2HB GLU 17 2HB GLU 17 4.570 -2.891 5.669 123 1HG GLU 17 2HG GLU 17 6.526 -2.479 4.307 124 2HG GLU 17 1HG GLU 17 5.796 -1.113 3.492 125 H ASN 18 H ASN 18 1.302 -2.394 3.351 126 HA ASN 18 HA ASN 18 0.187 -4.308 5.197 127 1HB ASN 18 1HB ASN 18 -1.088 -2.291 4.465 128 2HB ASN 18 2HB ASN 18 -1.062 -2.856 2.810 129 1HD2 ASN 18 1HD2 ASN 18 -3.333 -5.444 4.950 130 2HD2 ASN 18 2HD2 ASN 18 -1.664 -5.323 5.253 131 H TYR 19 H TYR 19 1.507 -4.535 2.076 132 HA TYR 19 HA TYR 19 0.128 -7.091 1.410 133 1HB TYR 19 1HB TYR 19 1.930 -5.276 -0.230 134 2HB TYR 19 2HB TYR 19 1.106 -6.704 -0.845 135 HD1 TYR 19 HD2 TYR 19 -1.377 -6.740 -1.007 136 HD2 TYR 19 HD1 TYR 19 0.635 -3.249 0.338 137 HE1 TYR 19 HE2 TYR 19 -3.422 -5.453 -1.303 138 HE2 TYR 19 HE1 TYR 19 -1.410 -1.940 0.027 139 HH TYR 19 HH TYR 19 -4.265 -2.949 -0.044 140 H CYS 20 H CYS 20 2.939 -6.022 2.859 141 HA CYS 20 HA CYS 20 4.505 -8.449 2.122 142 1HB CYS 20 1HB CYS 20 5.265 -5.729 3.181 143 2HB CYS 20 2HB CYS 20 6.281 -7.095 3.517 144 H ASN 21 H ASN 21 3.228 -6.756 5.059 145 HA ASN 21 HA ASN 21 3.712 -9.329 6.534 146 1HB ASN 21 1HB ASN 21 4.136 -8.054 8.595 147 2HB ASN 21 2HB ASN 21 5.228 -7.470 7.355 148 1HD2 ASN 21 1HD2 ASN 21 4.185 -4.164 7.902 149 2HD2 ASN 21 2HD2 ASN 21 5.416 -5.250 7.451 150 1H PHE 1 1H PHE 22 7.563 10.160 2.337 151 2H PHE 1 3H PHE 22 6.782 9.762 3.792 152 3H PHE 1 2H PHE 22 6.778 8.658 2.495 153 HA PHE 1 HA PHE 22 4.921 9.522 1.729 154 1HB PHE 1 2HB PHE 22 4.102 9.951 3.856 155 2HB PHE 1 1HB PHE 22 5.364 11.106 4.255 156 HD1 PHE 1 HD1 PHE 22 2.692 10.918 1.580 157 HD2 PHE 1 HD2 PHE 22 4.473 13.179 4.744 158 HE1 PHE 1 HE1 PHE 22 1.121 12.759 1.167 159 HE2 PHE 1 HE2 PHE 22 2.893 14.993 4.326 160 HZ PHE 1 HZ PHE 22 1.204 14.781 2.531 161 H VAL 2 H VAL 23 4.821 10.434 -0.148 162 HA VAL 2 HA VAL 23 6.173 13.053 -0.683 163 HB VAL 2 HB VAL 23 6.353 12.306 -3.059 164 1HG1 VAL 2 1HG1 VAL 23 7.531 10.273 -1.132 165 2HG1 VAL 2 3HG1 VAL 23 8.048 10.542 -2.792 166 3HG1 VAL 2 2HG1 VAL 23 8.268 11.800 -1.596 167 1HG2 VAL 2 2HG2 VAL 23 5.148 9.682 -2.068 168 2HG2 VAL 2 1HG2 VAL 23 4.363 10.825 -3.144 169 3HG2 VAL 2 3HG2 VAL 23 5.796 9.958 -3.670 170 H ASN 3 H ASN 24 5.158 13.807 -2.921 171 HA ASN 3 HA ASN 24 2.186 13.792 -2.816 172 1HB ASN 3 1HB ASN 24 2.284 16.329 -3.150 173 2HB ASN 3 2HB ASN 24 2.763 15.812 -1.540 174 1HD2 ASN 3 1HD2 ASN 24 5.360 17.852 -3.832 175 2HD2 ASN 3 2HD2 ASN 24 3.728 17.605 -4.243 176 H GLN 4 H GLN 25 2.602 12.371 -4.683 177 HA GLN 4 HA GLN 25 3.337 13.868 -7.126 178 1HB GLN 4 1HB GLN 25 4.992 12.143 -6.447 179 2HB GLN 4 2HB GLN 25 3.750 10.939 -6.296 180 1HG GLN 4 2HG GLN 25 5.123 10.638 -8.343 181 2HG GLN 4 1HG GLN 25 3.464 10.901 -8.805 182 1HE2 GLN 4 1HE2 GLN 25 4.420 13.742 -10.712 183 2HE2 GLN 4 2HE2 GLN 25 3.296 12.497 -10.468 184 H HIS 5 H HIS 26 2.245 12.047 -9.039 185 HA HIS 5 HA HIS 26 -0.673 12.025 -8.428 186 1HB HIS 5 1HB HIS 26 0.754 12.009 -11.142 187 2HB HIS 5 2HB HIS 26 -0.969 12.247 -10.875 188 HD1 HIS 5 HD1 HIS 26 -1.420 14.584 -9.396 189 HD2 HIS 5 HD2 HIS 26 2.212 14.271 -11.231 190 HE1 HIS 5 HE1 HIS 26 -0.468 16.870 -9.463 191 H LEU 6 H LEU 27 0.138 10.148 -7.208 192 HA LEU 6 HA LEU 27 0.864 7.691 -8.676 193 1HB LEU 6 1HB LEU 27 0.334 8.204 -5.700 194 2HB LEU 6 2HB LEU 27 1.082 6.753 -6.340 195 HG LEU 6 HG LEU 27 2.198 9.571 -6.634 196 1HD1 LEU 6 1HD1 LEU 27 3.060 7.352 -4.750 197 2HD1 LEU 6 3HD1 LEU 27 3.911 8.879 -5.006 198 3HD1 LEU 6 2HD1 LEU 27 2.301 8.870 -4.306 199 1HD2 LEU 6 2HD2 LEU 27 3.466 6.839 -7.244 200 2HD2 LEU 6 1HD2 LEU 27 2.960 7.992 -8.453 201 3HD2 LEU 6 3HD2 LEU 27 4.292 8.389 -7.397 202 H CYS 7 H CYS 28 -0.961 7.365 -9.918 203 HA CYS 7 HA CYS 28 -3.566 6.996 -8.513 204 1HB CYS 7 1HB CYS 28 -3.070 7.251 -11.458 205 2HB CYS 7 2HB CYS 28 -4.578 7.426 -10.612 206 H GLY 8 H GLY 29 -1.765 4.805 -8.279 207 1HA GLY 8 1HA GLY 29 -2.491 2.490 -8.209 208 2HA GLY 8 2HA GLY 29 -3.412 2.696 -9.642 209 H SER 9 H SER 30 -1.472 3.708 -11.512 210 HA SER 9 HA SER 30 -0.017 1.569 -12.363 211 1HB SER 9 2HB SER 30 1.292 3.176 -13.720 212 2HB SER 9 1HB SER 30 -0.377 3.734 -13.585 213 HG SER 9 HG SER 30 1.880 4.926 -12.584 214 H HIS 10 H HIS 31 1.091 3.887 -10.066 215 HA HIS 10 HA HIS 31 3.731 2.732 -9.795 216 1HB HIS 10 1HB HIS 31 2.460 5.184 -8.563 217 2HB HIS 10 2HB HIS 31 4.082 4.631 -8.191 218 HD1 HIS 10 HD1 HIS 31 4.545 7.033 -9.451 219 HD2 HIS 10 HD2 HIS 31 3.476 3.924 -11.858 220 HE1 HIS 10 HE1 HIS 31 5.235 7.660 -11.744 221 H LEU 11 H LEU 32 0.683 2.790 -8.144 222 HA LEU 11 HA LEU 32 1.665 1.838 -5.588 223 1HB LEU 11 1HB LEU 32 -1.155 1.535 -6.749 224 2HB LEU 11 2HB LEU 32 -0.717 1.493 -5.059 225 HG LEU 11 HG LEU 32 -0.521 3.952 -6.885 226 1HD1 LEU 11 1HD1 LEU 32 -2.484 3.248 -4.667 227 2HD1 LEU 11 3HD1 LEU 32 -2.419 4.798 -5.505 228 3HD1 LEU 11 2HD1 LEU 32 -2.810 3.336 -6.384 229 1HD2 LEU 11 2HD2 LEU 32 -0.072 3.709 -3.879 230 2HD2 LEU 11 1HD2 LEU 32 1.174 4.008 -5.079 231 3HD2 LEU 11 3HD2 LEU 32 -0.079 5.209 -4.801 232 H VAL 12 H VAL 33 0.927 0.618 -8.634 233 HA VAL 12 HA VAL 33 0.656 -2.212 -8.013 234 HB VAL 12 HB VAL 33 0.475 -0.409 -10.458 235 1HG1 VAL 12 1HG1 VAL 33 0.377 -3.465 -10.541 236 2HG1 VAL 12 3HG1 VAL 33 0.000 -2.384 -11.876 237 3HG1 VAL 12 2HG1 VAL 33 1.639 -2.490 -11.276 238 1HG2 VAL 12 1HG2 VAL 33 -1.430 -0.680 -8.919 239 2HG2 VAL 12 3HG2 VAL 33 -1.806 -1.361 -10.475 240 3HG2 VAL 12 2HG2 VAL 33 -1.368 -2.414 -9.123 241 H GLU 13 H GLU 34 2.989 -0.097 -9.781 242 HA GLU 13 HA GLU 34 4.813 -2.296 -10.166 243 1HB GLU 13 1HB GLU 34 4.926 -0.086 -11.421 244 2HB GLU 13 2HB GLU 34 5.642 0.598 -9.980 245 1HG GLU 13 2HG GLU 34 7.262 -0.054 -11.599 246 2HG GLU 13 1HG GLU 34 7.532 -0.600 -9.955 247 H ALA 14 H ALA 35 4.331 -0.083 -7.430 248 HA ALA 14 HA ALA 35 6.795 -0.825 -6.065 249 1HB ALA 14 2HB ALA 35 5.716 1.366 -5.697 250 2HB ALA 14 1HB ALA 35 4.286 0.571 -5.044 251 3HB ALA 14 3HB ALA 35 5.819 0.476 -4.184 252 H LEU 15 H LEU 36 3.434 -2.019 -6.017 253 HA LEU 15 HA LEU 36 4.023 -3.663 -3.662 254 1HB LEU 15 1HB LEU 36 1.519 -3.203 -5.354 255 2HB LEU 15 2HB LEU 36 1.724 -4.848 -4.840 256 HG LEU 15 HG LEU 36 1.634 -4.123 -2.498 257 1HD1 LEU 15 2HD1 LEU 36 2.478 -1.757 -2.751 258 2HD1 LEU 15 1HD1 LEU 36 1.021 -1.345 -3.639 259 3HD1 LEU 15 3HD1 LEU 36 0.911 -1.793 -1.961 260 1HD2 LEU 15 2HD2 LEU 36 -0.620 -3.197 -4.343 261 2HD2 LEU 15 1HD2 LEU 36 -0.394 -4.814 -3.714 262 3HD2 LEU 15 3HD2 LEU 36 -0.814 -3.535 -2.624 263 H TYR 16 H TYR 37 3.703 -4.156 -7.106 264 HA TYR 16 HA TYR 37 4.084 -6.985 -7.016 265 1HB TYR 16 1HB TYR 37 4.601 -5.124 -9.360 266 2HB TYR 16 2HB TYR 37 4.539 -6.859 -9.421 267 HD1 TYR 16 HD2 TYR 37 1.931 -5.431 -7.234 268 HD2 TYR 16 HD1 TYR 37 2.967 -6.419 -11.244 269 HE1 TYR 16 HE2 TYR 37 -0.412 -5.375 -7.849 270 HE2 TYR 16 HE1 TYR 37 0.609 -6.384 -11.857 271 HH TYR 16 HH TYR 37 -1.509 -6.250 -11.099 272 H LEU 17 H LEU 38 6.343 -4.460 -6.647 273 HA LEU 17 HA LEU 38 8.598 -6.202 -7.494 274 1HB LEU 17 1HB LEU 38 8.508 -3.946 -8.436 275 2HB LEU 17 2HB LEU 38 8.486 -3.235 -6.847 276 HG LEU 17 HG LEU 38 10.777 -4.269 -6.426 277 1HD1 LEU 17 1HD1 LEU 38 10.634 -4.852 -9.419 278 2HD1 LEU 17 3HD1 LEU 38 12.066 -5.041 -8.397 279 3HD1 LEU 17 2HD1 LEU 38 10.670 -6.075 -8.161 280 1HD2 LEU 17 2HD2 LEU 38 10.535 -2.405 -8.820 281 2HD2 LEU 17 1HD2 LEU 38 10.536 -1.906 -7.133 282 3HD2 LEU 17 3HD2 LEU 38 11.977 -2.618 -7.835 283 H VAL 18 H VAL 39 7.168 -4.707 -4.626 284 HA VAL 18 HA VAL 39 9.469 -5.665 -2.999 285 HB VAL 18 HB VAL 39 7.204 -3.769 -2.212 286 1HG1 VAL 18 1HG1 VAL 39 10.009 -4.329 -1.095 287 2HG1 VAL 18 3HG1 VAL 39 8.920 -3.128 -0.430 288 3HG1 VAL 18 2HG1 VAL 39 8.524 -4.839 -0.317 289 1HG2 VAL 18 2HG2 VAL 39 10.004 -3.133 -3.281 290 2HG2 VAL 18 1HG2 VAL 39 8.501 -2.791 -4.113 291 3HG2 VAL 18 3HG2 VAL 39 8.881 -1.936 -2.631 292 H CYS 19 H CYS 40 6.013 -5.783 -3.221 293 HA CYS 19 HA CYS 40 5.874 -8.176 -1.396 294 1HB CYS 19 1HB CYS 40 3.751 -6.060 -1.758 295 2HB CYS 19 2HB CYS 40 3.787 -7.339 -0.579 296 H GLY 20 H GLY 41 6.372 -8.232 -4.284 297 1HA GLY 20 1HA GLY 41 3.745 -8.826 -5.511 298 2HA GLY 20 2HA GLY 41 5.248 -8.548 -6.348 299 H GLU 21 H GLU 42 6.553 -10.400 -4.365 300 HA GLU 21 HA GLU 42 5.837 -12.983 -5.733 301 1HB GLU 21 1HB GLU 42 8.420 -12.184 -4.290 302 2HB GLU 21 2HB GLU 42 8.157 -13.665 -5.202 303 1HG GLU 21 2HG GLU 42 9.505 -12.124 -6.565 304 2HG GLU 21 1HG GLU 42 7.926 -12.338 -7.296 305 H ARG 22 H ARG 43 4.321 -11.854 -3.793 306 HA ARG 22 HA ARG 43 4.620 -13.789 -1.591 307 1HB ARG 22 1HB ARG 43 5.884 -11.584 -1.180 308 2HB ARG 22 2HB ARG 43 4.319 -10.823 -1.096 309 1HG ARG 22 2HG ARG 43 4.345 -13.201 0.595 310 2HG ARG 22 1HG ARG 43 5.724 -12.191 0.962 311 1HD ARG 22 2HD ARG 43 4.128 -10.207 1.037 312 2HD ARG 22 1HD ARG 43 2.796 -11.348 1.030 313 HE ARG 22 HE ARG 43 4.909 -11.335 3.125 314 1HH1 ARG 22 2HH2 ARG 43 3.832 -13.660 3.780 315 2HH1 ARG 22 1HH2 ARG 43 2.312 -13.373 4.563 316 1HH2 ARG 22 1HH1 ARG 43 2.056 -10.123 3.268 317 2HH2 ARG 22 2HH1 ARG 43 1.267 -11.311 4.250 318 H GLY 23 H GLY 44 2.740 -14.349 -3.118 319 1HA GLY 23 1HA GLY 44 0.350 -14.221 -3.705 320 2HA GLY 23 2HA GLY 44 0.418 -14.812 -2.090 321 H PHE 24 H PHE 45 0.427 -11.378 -3.491 322 HA PHE 24 HA PHE 45 -0.918 -10.606 -1.147 323 1HB PHE 24 1HB PHE 45 -0.179 -8.329 -1.886 324 2HB PHE 24 2HB PHE 45 1.198 -9.435 -1.776 325 HD1 PHE 24 HD1 PHE 45 1.640 -10.713 -4.282 326 HD2 PHE 24 HD2 PHE 45 -0.357 -6.978 -3.680 327 HE1 PHE 24 HE1 PHE 45 2.010 -10.138 -6.597 328 HE2 PHE 24 HE2 PHE 45 0.047 -6.415 -6.020 329 HZ PHE 24 HZ PHE 45 1.230 -7.981 -7.485 330 H PHE 25 H PHE 46 -2.945 -8.904 -1.798 331 HA PHE 25 HA PHE 46 -3.799 -8.957 -4.545 332 1HB PHE 25 1HB PHE 46 -4.741 -11.074 -3.551 333 2HB PHE 25 2HB PHE 46 -5.447 -10.129 -2.245 334 HD1 PHE 25 HD2 PHE 46 -7.262 -8.525 -2.739 335 HD2 PHE 25 HD1 PHE 46 -5.596 -10.904 -5.853 336 HE1 PHE 25 HE2 PHE 46 -9.137 -7.935 -4.197 337 HE2 PHE 25 HE1 PHE 46 -7.458 -10.320 -7.307 338 HZ PHE 25 HZ PHE 46 -9.258 -8.824 -6.483 339 H TYR 26 H TYR 47 -4.530 -6.875 -4.812 340 HA TYR 26 HA TYR 47 -5.292 -5.391 -2.361 341 1HB TYR 26 1HB TYR 47 -4.585 -3.305 -3.533 342 2HB TYR 26 2HB TYR 47 -3.280 -4.444 -3.501 343 HD1 TYR 26 HD2 TYR 47 -2.953 -5.949 -5.624 344 HD2 TYR 26 HD1 TYR 47 -5.091 -2.268 -5.610 345 HE1 TYR 26 HE2 TYR 47 -2.646 -5.752 -8.043 346 HE2 TYR 26 HE1 TYR 47 -4.776 -2.084 -8.038 347 HH TYR 26 HH TYR 47 -2.887 -4.499 -9.817 348 H THR 27 H THR 48 -5.775 -5.271 -5.441 349 HA THR 27 HA THR 48 -8.591 -6.045 -5.615 350 HB THR 27 HB THR 48 -9.046 -3.982 -4.459 351 HG1 THR 27 HG1 THR 48 -10.611 -3.858 -5.779 352 1HG2 THR 27 1HG2 THR 48 -7.483 -2.492 -6.588 353 2HG2 THR 27 3HG2 THR 48 -8.402 -1.791 -5.261 354 3HG2 THR 27 2HG2 THR 48 -6.988 -2.758 -4.918 355 HA PRO 28 HA PRO 49 -7.268 -5.798 -10.008 356 1HB PRO 28 1HB PRO 49 -5.654 -7.819 -10.555 357 2HB PRO 28 2HB PRO 49 -4.971 -6.371 -9.834 358 1HG PRO 28 2HG PRO 49 -5.910 -8.935 -8.469 359 2HG PRO 28 1HG PRO 49 -4.331 -8.177 -8.291 360 1HD PRO 28 1HD PRO 49 -6.373 -7.738 -6.482 361 2HD PRO 28 2HD PRO 49 -5.208 -6.487 -6.868 362 H LYS 29 H LYS 50 -9.587 -6.379 -9.417 363 HA LYS 29 HA LYS 50 -11.240 -8.218 -9.052 364 1HB LYS 29 1HB LYS 50 -11.876 -6.586 -10.807 365 2HB LYS 29 2HB LYS 50 -10.962 -7.480 -12.009 366 1HG LYS 29 2HG LYS 50 -12.488 -9.479 -11.668 367 2HG LYS 29 1HG LYS 50 -13.383 -8.564 -10.469 368 1HD LYS 29 2HD LYS 50 -14.073 -6.948 -12.209 369 2HD LYS 29 1HD LYS 50 -13.083 -7.767 -13.398 370 1HE LYS 29 2HE LYS 50 -15.408 -8.541 -13.675 371 2HE LYS 29 1HE LYS 50 -14.434 -9.866 -13.061 372 1HZ LYS 29 1HZ LYS 50 -15.452 -8.479 -10.864 373 2HZ LYS 29 3HZ LYS 50 -16.726 -8.754 -11.948 374 3HZ LYS 29 2HZ LYS 50 -15.800 -10.061 -11.387 375 H THR 30 H THR 51 -10.700 -10.176 -8.513 376 HA THR 30 HA THR 51 -10.159 -12.149 -10.709 377 HB THR 30 HB THR 51 -8.064 -11.642 -9.182 378 HG1 THR 30 HG1 THR 51 -7.637 -13.554 -9.869 379 1HG2 THR 30 2HG2 THR 51 -9.332 -11.852 -6.918 380 2HG2 THR 30 1HG2 THR 51 -9.590 -13.545 -7.322 381 3HG2 THR 30 3HG2 THR 51 -7.956 -12.918 -7.129 No H/Q in entry = 381 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -10.219 -0.205 1.343 2 2H GLY 1 3H GLY 1 -11.660 0.630 1.679 3 3H GLY 1 2H GLY 1 -11.607 -0.495 0.407 4 1HA GLY 1 2HA GLY 1 -11.031 1.037 -0.979 5 2HA GLY 1 1HA GLY 1 -11.087 2.217 0.358 6 H ILE 2 H ILE 2 -9.090 0.216 -1.649 7 HA ILE 2 HA ILE 2 -6.679 0.994 -0.221 8 HB ILE 2 HB ILE 2 -6.254 -0.319 -2.778 9 1HG1 ILE 2 2HG1 ILE 2 -6.836 -2.589 -1.569 10 2HG1 ILE 2 1HG1 ILE 2 -8.098 -1.577 -0.828 11 1HG2 ILE 2 2HG2 ILE 2 -4.485 0.037 -1.211 12 2HG2 ILE 2 1HG2 ILE 2 -5.350 -0.893 0.007 13 3HG2 ILE 2 3HG2 ILE 2 -4.758 -1.708 -1.436 14 1HD1 ILE 2 2HD ILE 2 -8.862 -0.918 -3.075 15 2HD1 ILE 2 1HD ILE 2 -7.604 -1.926 -3.781 16 3HD1 ILE 2 3HD ILE 2 -8.909 -2.688 -2.878 17 H VAL 3 H VAL 3 -4.809 1.629 -1.668 18 HA VAL 3 HA VAL 3 -5.328 4.237 -2.628 19 HB VAL 3 HB VAL 3 -3.107 4.460 -2.660 20 1HG1 VAL 3 2HG1 VAL 3 -3.029 3.264 -0.343 21 2HG1 VAL 3 1HG1 VAL 3 -2.789 1.726 -1.165 22 3HG1 VAL 3 3HG1 VAL 3 -1.530 2.954 -1.255 23 1HG2 VAL 3 2HG2 VAL 3 -2.957 1.303 -2.912 24 2HG2 VAL 3 1HG2 VAL 3 -2.753 2.282 -4.360 25 3HG2 VAL 3 3HG2 VAL 3 -1.523 2.343 -3.102 26 H GLU 4 H GLU 4 -3.672 4.353 -4.828 27 HA GLU 4 HA GLU 4 -3.262 3.600 -6.993 28 1HB GLU 4 1HB GLU 4 -5.914 2.174 -6.962 29 2HB GLU 4 2HB GLU 4 -4.625 2.066 -8.183 30 1HG GLU 4 2HG GLU 4 -3.440 0.570 -6.984 31 2HG GLU 4 1HG GLU 4 -3.902 1.298 -5.425 32 H GLN 5 H GLN 5 -6.080 5.260 -6.067 33 HA GLN 5 HA GLN 5 -6.177 6.325 -8.789 34 1HB GLN 5 1HB GLN 5 -8.304 5.771 -7.332 35 2HB GLN 5 2HB GLN 5 -8.005 7.418 -6.728 36 1HG GLN 5 2HG GLN 5 -7.704 7.606 -9.493 37 2HG GLN 5 1HG GLN 5 -9.127 6.560 -9.257 38 1HE2 GLN 5 1HE2 GLN 5 -10.143 10.113 -9.457 39 2HE2 GLN 5 2HE2 GLN 5 -9.256 9.049 -10.439 40 H CYS 6 H CYS 6 -3.893 6.790 -7.284 41 HA CYS 6 HA CYS 6 -2.363 8.475 -7.327 42 1HB CYS 6 1HB CYS 6 -4.589 10.439 -7.918 43 2HB CYS 6 2HB CYS 6 -2.841 10.638 -8.203 44 H CYS 7 H CYS 7 -3.009 7.559 -5.024 45 HA CYS 7 HA CYS 7 -2.631 8.053 -2.831 46 1HB CYS 7 1HB CYS 7 -0.876 9.590 -3.759 47 2HB CYS 7 2HB CYS 7 -2.087 10.895 -3.691 48 H THR 8 H THR 8 -5.000 7.608 -3.137 49 HA THR 8 HA THR 8 -6.895 9.697 -3.034 50 HB THR 8 HB THR 8 -8.462 7.896 -2.369 51 HG1 THR 8 HG1 THR 8 -7.618 6.467 -1.090 52 1HG2 THR 8 2HG2 THR 8 -7.534 7.705 -4.768 53 2HG2 THR 8 1HG2 THR 8 -6.279 6.665 -4.102 54 3HG2 THR 8 3HG2 THR 8 -7.956 6.131 -4.046 55 H SER 9 H SER 9 -5.006 8.436 -0.416 56 HA SER 9 HA SER 9 -6.402 10.369 1.302 57 1HB SER 9 2HB SER 9 -6.348 8.699 3.162 58 2HB SER 9 1HB SER 9 -7.413 8.219 1.818 59 HG SER 9 HG SER 9 -5.392 6.903 2.912 60 H ILE 10 H ILE 10 -3.737 8.168 1.937 61 HA ILE 10 HA ILE 10 -2.141 10.534 2.641 62 HB ILE 10 HB ILE 10 -2.677 8.140 4.428 63 1HG1 ILE 10 2HG1 ILE 10 -3.103 10.479 5.846 64 2HG1 ILE 10 1HG1 ILE 10 -3.783 10.822 4.239 65 1HG2 ILE 10 2HG2 ILE 10 -0.367 8.618 4.591 66 2HG2 ILE 10 1HG2 ILE 10 -0.724 10.312 4.902 67 3HG2 ILE 10 3HG2 ILE 10 -1.225 9.100 6.076 68 1HD1 ILE 10 2HD ILE 10 -5.128 8.762 4.389 69 2HD1 ILE 10 1HD ILE 10 -4.439 8.448 5.978 70 3HD1 ILE 10 3HD ILE 10 -5.475 9.853 5.755 71 H CYS 11 H CYS 11 -2.218 7.566 1.146 72 HA CYS 11 HA CYS 11 -0.573 6.165 0.394 73 1HB CYS 11 1HB CYS 11 1.258 7.512 -0.881 74 2HB CYS 11 2HB CYS 11 -0.414 7.451 -1.491 75 H SER 12 H SER 12 -0.056 5.486 2.472 76 HA SER 12 HA SER 12 2.561 6.430 3.427 77 1HB SER 12 2HB SER 12 1.963 4.830 5.382 78 2HB SER 12 1HB SER 12 1.151 6.412 5.269 79 HG SER 12 HG SER 12 0.086 3.973 5.307 80 H LEU 13 H LEU 13 4.287 5.348 2.881 81 HA LEU 13 HA LEU 13 4.087 3.024 1.246 82 1HB LEU 13 1HB LEU 13 6.676 3.785 2.495 83 2HB LEU 13 2HB LEU 13 6.320 3.255 0.834 84 HG LEU 13 HG LEU 13 5.118 5.678 0.910 85 1HD1 LEU 13 2HD1 LEU 13 6.048 6.212 3.127 86 2HD1 LEU 13 1HD1 LEU 13 7.665 5.897 2.505 87 3HD1 LEU 13 3HD1 LEU 13 6.752 7.259 1.869 88 1HD2 LEU 13 2HD2 LEU 13 7.900 5.021 0.019 89 2HD2 LEU 13 1HD2 LEU 13 6.400 4.824 -0.880 90 3HD2 LEU 13 3HD2 LEU 13 6.949 6.445 -0.470 91 H TYR 14 H TYR 14 4.739 3.284 4.641 92 HA TYR 14 HA TYR 14 5.610 0.587 4.892 93 1HB TYR 14 1HB TYR 14 6.026 2.214 6.631 94 2HB TYR 14 2HB TYR 14 4.274 2.437 6.869 95 HD1 TYR 14 HD1 TYR 14 6.951 -0.153 7.038 96 HD2 TYR 14 HD2 TYR 14 3.163 1.165 8.478 97 HE1 TYR 14 HE1 TYR 14 6.923 -2.045 8.721 98 HE2 TYR 14 HE2 TYR 14 3.148 -0.733 10.154 99 HH TYR 14 HH TYR 14 4.208 -2.421 10.906 100 H GLN 15 H GLN 15 2.537 2.125 4.596 101 HA GLN 15 HA GLN 15 0.963 -0.090 5.522 102 1HB GLN 15 1HB GLN 15 0.477 2.600 4.450 103 2HB GLN 15 2HB GLN 15 -0.733 1.390 3.962 104 1HG GLN 15 2HG GLN 15 -0.941 0.758 6.372 105 2HG GLN 15 1HG GLN 15 0.090 2.157 6.761 106 1HE2 GLN 15 1HE2 GLN 15 -3.270 3.309 7.318 107 2HE2 GLN 15 2HE2 GLN 15 -2.123 2.260 8.000 108 H LEU 16 H LEU 16 2.251 0.853 2.430 109 HA LEU 16 HA LEU 16 0.606 -1.139 1.073 110 1HB LEU 16 1HB LEU 16 0.940 0.149 -0.660 111 2HB LEU 16 2HB LEU 16 2.081 1.139 0.278 112 HG LEU 16 HG LEU 16 3.034 -1.318 -1.102 113 1HD1 LEU 16 2HD1 LEU 16 1.753 -0.066 -2.806 114 2HD1 LEU 16 1HD1 LEU 16 2.633 1.395 -2.370 115 3HD1 LEU 16 3HD1 LEU 16 3.503 0.057 -3.112 116 1HD2 LEU 16 2HD2 LEU 16 4.361 1.268 -0.404 117 2HD2 LEU 16 1HD2 LEU 16 4.524 -0.281 0.414 118 3HD2 LEU 16 3HD2 LEU 16 5.111 -0.116 -1.237 119 H GLU 17 H GLU 17 3.452 -1.180 2.804 120 HA GLU 17 HA GLU 17 4.470 -3.559 1.538 121 1HB GLU 17 1HB GLU 17 5.383 -1.742 3.541 122 2HB GLU 17 2HB GLU 17 5.454 -3.400 4.181 123 1HG GLU 17 2HG GLU 17 7.374 -3.638 3.062 124 2HG GLU 17 1HG GLU 17 6.415 -3.573 1.563 125 H ASN 18 H ASN 18 1.972 -2.910 3.698 126 HA ASN 18 HA ASN 18 2.022 -5.447 5.050 127 1HB ASN 18 1HB ASN 18 0.567 -4.482 6.429 128 2HB ASN 18 2HB ASN 18 0.639 -3.017 5.418 129 1HD2 ASN 18 1HD2 ASN 18 -2.344 -3.564 3.691 130 2HD2 ASN 18 2HD2 ASN 18 -0.802 -2.860 3.630 131 H TYR 19 H TYR 19 0.890 -4.366 2.020 132 HA TYR 19 HA TYR 19 -1.253 -6.222 1.691 133 1HB TYR 19 1HB TYR 19 0.542 -4.983 -0.385 134 2HB TYR 19 2HB TYR 19 -1.086 -5.661 -0.638 135 HD1 TYR 19 HD2 TYR 19 -2.353 -4.304 1.813 136 HD2 TYR 19 HD1 TYR 19 0.141 -2.871 -1.332 137 HE1 TYR 19 HE2 TYR 19 -3.320 -1.978 2.092 138 HE2 TYR 19 HE1 TYR 19 -0.847 -0.556 -1.054 139 HH TYR 19 HH TYR 19 -3.228 0.050 1.447 140 H CYS 20 H CYS 20 2.176 -6.400 1.615 141 HA CYS 20 HA CYS 20 2.371 -8.764 -0.044 142 1HB CYS 20 1HB CYS 20 4.551 -7.492 1.635 143 2HB CYS 20 2HB CYS 20 4.737 -8.519 0.192 144 H ASN 21 H ASN 21 1.304 -8.364 2.978 145 HA ASN 21 HA ASN 21 2.645 -10.068 4.646 146 1HB ASN 21 1HB ASN 21 0.354 -10.679 5.580 147 2HB ASN 21 2HB ASN 21 0.771 -8.948 5.545 148 1HD2 ASN 21 1HD2 ASN 21 -1.573 -10.087 2.406 149 2HD2 ASN 21 2HD2 ASN 21 -0.076 -10.817 2.731 150 1H PHE 1 1H PHE 22 8.286 11.120 2.155 151 2H PHE 1 3H PHE 22 7.236 10.558 3.365 152 3H PHE 1 2H PHE 22 7.343 9.732 1.885 153 HA PHE 1 HA PHE 22 5.722 10.921 1.095 154 1HB PHE 1 2HB PHE 22 4.941 11.027 3.373 155 2HB PHE 1 1HB PHE 22 6.050 12.377 3.725 156 HD1 PHE 1 HD1 PHE 22 5.557 14.601 2.936 157 HD2 PHE 1 HD2 PHE 22 2.890 11.405 2.212 158 HE1 PHE 1 HE1 PHE 22 3.770 16.234 2.306 159 HE2 PHE 1 HE2 PHE 22 1.102 13.036 1.584 160 HZ PHE 1 HZ PHE 22 1.567 15.431 1.635 161 H VAL 2 H VAL 23 6.405 12.020 -0.658 162 HA VAL 2 HA VAL 23 7.161 14.809 -0.369 163 HB VAL 2 HB VAL 23 9.290 14.556 -0.708 164 1HG1 VAL 2 2HG1 VAL 23 9.659 12.197 0.348 165 2HG1 VAL 2 1HG1 VAL 23 9.296 11.462 -1.210 166 3HG1 VAL 2 3HG1 VAL 23 10.751 12.437 -1.038 167 1HG2 VAL 2 2HG2 VAL 23 8.552 12.231 -2.724 168 2HG2 VAL 2 1HG2 VAL 23 8.654 13.885 -3.317 169 3HG2 VAL 2 3HG2 VAL 23 10.120 13.074 -2.777 170 H ASN 3 H ASN 24 7.343 15.858 -2.532 171 HA ASN 3 HA ASN 24 4.980 15.370 -3.991 172 1HB ASN 3 1HB ASN 24 7.057 17.325 -4.050 173 2HB ASN 3 2HB ASN 24 6.738 16.746 -5.704 174 1HD2 ASN 3 1HD2 ASN 24 3.903 18.747 -3.510 175 2HD2 ASN 3 2HD2 ASN 24 5.230 17.986 -2.776 176 H GLN 4 H GLN 25 4.856 13.375 -4.892 177 HA GLN 4 HA GLN 25 6.866 12.582 -6.892 178 1HB GLN 4 1HB GLN 25 7.204 11.454 -4.609 179 2HB GLN 4 2HB GLN 25 5.632 10.664 -4.872 180 1HG GLN 4 2HG GLN 25 6.429 9.338 -6.553 181 2HG GLN 4 1HG GLN 25 7.684 10.513 -7.022 182 1HE2 GLN 4 1HE2 GLN 25 10.131 8.656 -5.557 183 2HE2 GLN 4 2HE2 GLN 25 9.545 9.562 -6.866 184 H HIS 5 H HIS 26 4.635 13.698 -7.793 185 HA HIS 5 HA HIS 26 2.191 12.967 -8.116 186 1HB HIS 5 1HB HIS 26 4.052 13.092 -10.480 187 2HB HIS 5 2HB HIS 26 2.291 13.359 -10.500 188 HD1 HIS 5 HD1 HIS 26 3.387 15.583 -11.759 189 HD2 HIS 5 HD2 HIS 26 3.620 15.358 -7.617 190 HE1 HIS 5 HE1 HIS 26 3.775 17.947 -10.951 191 H LEU 6 H LEU 27 2.205 10.984 -7.086 192 HA LEU 6 HA LEU 27 2.666 8.591 -8.662 193 1HB LEU 6 1HB LEU 27 2.069 9.250 -5.838 194 2HB LEU 6 2HB LEU 27 1.519 7.671 -6.445 195 HG LEU 6 HG LEU 27 4.349 8.661 -6.259 196 1HD1 LEU 6 2HD1 LEU 27 3.348 7.942 -4.116 197 2HD1 LEU 6 1HD1 LEU 27 2.862 6.428 -4.870 198 3HD1 LEU 6 3HD1 LEU 27 4.576 6.774 -4.666 199 1HD2 LEU 6 2HD2 LEU 27 3.347 6.097 -7.431 200 2HD2 LEU 6 1HD2 LEU 27 4.119 7.437 -8.272 201 3HD2 LEU 6 3HD2 LEU 27 5.047 6.512 -7.096 202 H CYS 7 H CYS 28 1.301 7.746 -9.953 203 HA CYS 7 HA CYS 28 -1.560 7.965 -9.395 204 1HB CYS 7 1HB CYS 28 -0.230 9.260 -11.654 205 2HB CYS 7 2HB CYS 28 -1.595 8.209 -12.108 206 H GLY 8 H GLY 29 -2.503 6.143 -9.564 207 1HA GLY 8 1HA GLY 29 -2.177 3.824 -9.274 208 2HA GLY 8 2HA GLY 29 -2.913 4.128 -10.871 209 H SER 9 H SER 30 -0.905 4.442 -12.589 210 HA SER 9 HA SER 30 -0.032 1.849 -13.025 211 1HB SER 9 2HB SER 30 1.707 4.053 -13.999 212 2HB SER 9 1HB SER 30 1.119 2.597 -14.841 213 HG SER 9 HG SER 30 0.172 5.077 -14.908 214 H HIS 10 H HIS 31 1.532 4.222 -11.103 215 HA HIS 10 HA HIS 31 3.900 2.563 -10.739 216 1HB HIS 10 1HB HIS 31 3.110 5.328 -9.836 217 2HB HIS 10 2HB HIS 31 4.569 4.506 -9.230 218 HD1 HIS 10 HD1 HIS 31 4.589 7.168 -10.952 219 HD2 HIS 10 HD2 HIS 31 5.239 3.323 -12.393 220 HE1 HIS 10 HE1 HIS 31 5.914 7.436 -13.088 221 H LEU 11 H LEU 32 1.010 3.501 -9.039 222 HA LEU 11 HA LEU 32 1.729 2.496 -6.515 223 1HB LEU 11 1HB LEU 32 -0.932 2.806 -7.839 224 2HB LEU 11 2HB LEU 32 -0.755 2.092 -6.220 225 HG LEU 11 HG LEU 32 -1.398 4.350 -5.940 226 1HD1 LEU 11 2HD1 LEU 32 0.361 3.597 -4.393 227 2HD1 LEU 11 1HD1 LEU 32 1.580 4.159 -5.533 228 3HD1 LEU 11 3HD1 LEU 32 0.525 5.335 -4.755 229 1HD2 LEU 11 2HD2 LEU 32 0.760 5.097 -7.873 230 2HD2 LEU 11 1HD2 LEU 32 -0.982 5.137 -8.123 231 3HD2 LEU 11 3HD2 LEU 32 -0.259 6.230 -6.948 232 H VAL 12 H VAL 33 0.654 0.951 -9.424 233 HA VAL 12 HA VAL 33 0.526 -1.639 -8.122 234 HB VAL 12 HB VAL 33 -0.324 -0.555 -10.634 235 1HG1 VAL 12 2HG1 VAL 33 1.266 -2.120 -12.000 236 2HG1 VAL 12 1HG1 VAL 33 0.669 -3.498 -11.083 237 3HG1 VAL 12 3HG1 VAL 33 -0.426 -2.652 -12.168 238 1HG2 VAL 12 2HG2 VAL 33 -0.311 -3.531 -9.540 239 2HG2 VAL 12 1HG2 VAL 33 -1.533 -2.411 -8.947 240 3HG2 VAL 12 3HG2 VAL 33 -1.586 -2.930 -10.629 241 H GLU 13 H GLU 34 2.637 -0.087 -10.539 242 HA GLU 13 HA GLU 34 4.341 -2.351 -10.686 243 1HB GLU 13 1HB GLU 34 4.295 -0.047 -12.106 244 2HB GLU 13 2HB GLU 34 5.720 0.201 -11.070 245 1HG GLU 13 2HG GLU 34 5.503 -2.473 -12.293 246 2HG GLU 13 1HG GLU 34 5.777 -1.133 -13.434 247 H ALA 14 H ALA 35 3.887 -0.159 -8.201 248 HA ALA 14 HA ALA 35 6.472 -0.716 -6.986 249 1HB ALA 14 2HB ALA 35 5.433 1.529 -6.773 250 2HB ALA 14 1HB ALA 35 4.040 0.791 -5.988 251 3HB ALA 14 3HB ALA 35 5.600 0.761 -5.173 252 H LEU 15 H LEU 36 3.159 -1.261 -5.871 253 HA LEU 15 HA LEU 36 4.157 -3.029 -3.799 254 1HB LEU 15 1HB LEU 36 2.331 -2.182 -2.939 255 2HB LEU 15 2HB LEU 36 1.671 -1.766 -4.538 256 HG LEU 15 HG LEU 36 1.027 -3.997 -2.729 257 1HD1 LEU 15 2HD1 LEU 36 -0.399 -1.965 -2.953 258 2HD1 LEU 15 1HD1 LEU 36 -0.502 -2.249 -4.688 259 3HD1 LEU 15 3HD1 LEU 36 -1.249 -3.398 -3.584 260 1HD2 LEU 15 2HD2 LEU 36 0.729 -4.418 -5.629 261 2HD2 LEU 15 1HD2 LEU 36 1.713 -5.322 -4.484 262 3HD2 LEU 15 3HD2 LEU 36 -0.039 -5.338 -4.311 263 H TYR 16 H TYR 37 2.882 -3.485 -6.947 264 HA TYR 16 HA TYR 37 2.736 -6.345 -6.767 265 1HB TYR 16 1HB TYR 37 1.710 -4.473 -8.309 266 2HB TYR 16 2HB TYR 37 3.161 -4.817 -9.282 267 HD1 TYR 16 HD1 TYR 37 3.437 -7.237 -10.104 268 HD2 TYR 16 HD2 TYR 37 -0.244 -5.591 -8.724 269 HE1 TYR 16 HE1 TYR 37 2.152 -8.929 -11.484 270 HE2 TYR 16 HE2 TYR 37 -1.515 -7.283 -10.111 271 HH TYR 16 HH TYR 37 0.228 -9.635 -12.041 272 H LEU 17 H LEU 38 5.351 -4.129 -7.492 273 HA LEU 17 HA LEU 38 7.008 -6.396 -8.347 274 1HB LEU 17 1HB LEU 38 6.972 -4.199 -9.586 275 2HB LEU 17 2HB LEU 38 7.776 -3.485 -8.168 276 HG LEU 17 HG LEU 38 9.173 -4.121 -10.232 277 1HD1 LEU 17 2HD1 LEU 38 10.112 -3.415 -8.061 278 2HD1 LEU 17 1HD1 LEU 38 9.946 -5.065 -7.471 279 3HD1 LEU 17 3HD1 LEU 38 11.080 -4.729 -8.775 280 1HD2 LEU 17 2HD2 LEU 38 8.831 -6.853 -9.086 281 2HD2 LEU 17 1HD2 LEU 38 8.300 -6.258 -10.656 282 3HD2 LEU 17 3HD2 LEU 38 10.024 -6.360 -10.315 283 H VAL 18 H VAL 39 6.602 -4.437 -5.562 284 HA VAL 18 HA VAL 39 9.176 -5.308 -4.478 285 HB VAL 18 HB VAL 39 7.121 -3.595 -3.132 286 1HG1 VAL 18 2HG1 VAL 39 9.216 -3.652 -1.593 287 2HG1 VAL 18 1HG1 VAL 39 10.184 -3.009 -2.916 288 3HG1 VAL 18 3HG1 VAL 39 8.930 -2.002 -2.200 289 1HG2 VAL 18 2HG2 VAL 39 9.773 -2.902 -4.723 290 2HG2 VAL 18 1HG2 VAL 39 8.213 -2.624 -5.490 291 3HG2 VAL 18 3HG2 VAL 39 8.682 -1.632 -4.113 292 H CYS 19 H CYS 40 6.091 -6.588 -4.248 293 HA CYS 19 HA CYS 40 6.267 -7.356 -1.511 294 1HB CYS 19 1HB CYS 40 4.615 -8.458 -3.761 295 2HB CYS 19 2HB CYS 40 4.619 -9.176 -2.131 296 H GLY 20 H GLY 41 7.384 -8.908 -4.437 297 1HA GLY 20 1HA GLY 41 9.275 -10.213 -4.638 298 2HA GLY 20 2HA GLY 41 9.443 -10.184 -2.863 299 H GLU 21 H GLU 42 6.923 -11.188 -2.211 300 HA GLU 21 HA GLU 42 6.645 -13.759 -3.554 301 1HB GLU 21 1HB GLU 42 6.372 -14.359 -0.826 302 2HB GLU 21 2HB GLU 42 7.566 -14.990 -1.984 303 1HG GLU 21 2HG GLU 42 9.201 -13.505 -1.302 304 2HG GLU 21 1HG GLU 42 8.016 -12.365 -0.615 305 H ARG 22 H ARG 43 5.182 -11.555 -3.818 306 HA ARG 22 HA ARG 43 3.106 -10.969 -2.117 307 1HB ARG 22 1HB ARG 43 2.244 -9.768 -3.832 308 2HB ARG 22 2HB ARG 43 3.798 -10.158 -4.606 309 1HG ARG 22 2HG ARG 43 1.309 -11.818 -4.922 310 2HG ARG 22 1HG ARG 43 1.786 -10.522 -6.045 311 1HD ARG 22 2HD ARG 43 4.074 -12.073 -5.762 312 2HD ARG 22 1HD ARG 43 2.744 -13.252 -5.862 313 HE ARG 22 HE ARG 43 3.227 -11.136 -7.883 314 1HH1 ARG 22 1HH1 ARG 43 1.190 -11.711 -9.273 315 2HH1 ARG 22 2HH1 ARG 43 1.271 -13.304 -9.946 316 1HH2 ARG 22 2HH2 ARG 43 3.809 -14.412 -7.780 317 2HH2 ARG 22 1HH2 ARG 43 2.772 -14.860 -9.094 318 H GLY 23 H GLY 44 1.076 -11.469 -1.783 319 1HA GLY 23 1HA GLY 44 -0.083 -13.867 -2.972 320 2HA GLY 23 2HA GLY 44 0.171 -13.868 -1.206 321 H PHE 24 H PHE 45 -0.564 -11.120 -3.180 322 HA PHE 24 HA PHE 45 -3.044 -10.560 -1.626 323 1HB PHE 24 1HB PHE 45 -2.385 -8.384 -1.866 324 2HB PHE 24 2HB PHE 45 -0.803 -9.166 -2.113 325 HD1 PHE 24 HD2 PHE 45 -0.129 -9.629 -4.519 326 HD2 PHE 24 HD1 PHE 45 -3.173 -6.901 -3.444 327 HE1 PHE 24 HE2 PHE 45 0.092 -8.508 -6.741 328 HE2 PHE 24 HE1 PHE 45 -2.952 -5.779 -5.668 329 HZ PHE 24 HZ PHE 45 -1.323 -6.597 -7.290 330 H PHE 25 H PHE 46 -4.445 -9.056 -3.471 331 HA PHE 25 HA PHE 46 -5.236 -11.130 -5.435 332 1HB PHE 25 1HB PHE 46 -6.577 -9.884 -3.252 333 2HB PHE 25 2HB PHE 46 -7.356 -9.351 -4.763 334 HD1 PHE 25 HD2 PHE 46 -5.828 -12.618 -3.921 335 HD2 PHE 25 HD1 PHE 46 -9.369 -10.487 -4.803 336 HE1 PHE 25 HE2 PHE 46 -7.099 -14.769 -4.008 337 HE2 PHE 25 HE1 PHE 46 -10.641 -12.638 -4.895 338 HZ PHE 25 HZ PHE 46 -9.491 -14.753 -4.497 339 H TYR 26 H TYR 47 -6.362 -10.224 -7.322 340 HA TYR 26 HA TYR 47 -6.138 -7.424 -7.928 341 1HB TYR 26 1HB TYR 47 -3.833 -8.569 -8.329 342 2HB TYR 26 2HB TYR 47 -4.633 -9.217 -9.782 343 HD1 TYR 26 HD1 TYR 47 -4.086 -5.989 -7.984 344 HD2 TYR 26 HD2 TYR 47 -4.564 -7.955 -11.734 345 HE1 TYR 26 HE1 TYR 47 -3.745 -3.788 -9.189 346 HE2 TYR 26 HE2 TYR 47 -4.220 -5.748 -12.927 347 HH TYR 26 HH TYR 47 -3.634 -2.822 -11.085 348 H THR 27 H THR 48 -8.379 -8.357 -7.845 349 HA THR 27 HA THR 48 -9.288 -9.465 -10.424 350 HB THR 27 HB THR 48 -11.153 -10.376 -9.013 351 HG1 THR 27 HG1 THR 48 -10.215 -9.517 -6.650 352 1HG2 THR 27 2HG2 THR 48 -8.870 -11.584 -8.762 353 2HG2 THR 27 1HG2 THR 48 -8.563 -10.514 -7.398 354 3HG2 THR 27 3HG2 THR 48 -9.878 -11.681 -7.296 355 HA PRO 28 HA PRO 49 -10.414 -4.736 -9.457 356 1HB PRO 28 1HB PRO 49 -9.911 -5.144 -12.431 357 2HB PRO 28 2HB PRO 49 -9.785 -3.638 -11.493 358 1HG PRO 28 2HG PRO 49 -7.622 -5.188 -12.005 359 2HG PRO 28 1HG PRO 49 -7.797 -4.287 -10.481 360 1HD PRO 28 1HD PRO 49 -7.863 -7.189 -10.920 361 2HD PRO 28 2HD PRO 49 -7.780 -6.292 -9.382 362 H LYS 29 H LYS 50 -12.260 -4.524 -8.832 363 HA LYS 29 HA LYS 50 -14.430 -4.768 -10.748 364 1HB LYS 29 1HB LYS 50 -13.989 -6.702 -8.643 365 2HB LYS 29 2HB LYS 50 -15.558 -5.881 -8.476 366 1HG LYS 29 2HG LYS 50 -15.412 -6.453 -11.169 367 2HG LYS 29 1HG LYS 50 -14.699 -7.888 -10.395 368 1HD LYS 29 2HD LYS 50 -16.658 -8.508 -9.445 369 2HD LYS 29 1HD LYS 50 -17.177 -6.826 -9.182 370 1HE LYS 29 2HE LYS 50 -18.387 -6.825 -11.062 371 2HE LYS 29 1HE LYS 50 -17.043 -7.519 -12.002 372 1HZ LYS 29 1HZ LYS 50 -18.064 -9.484 -10.326 373 2HZ LYS 29 3HZ LYS 50 -19.375 -8.758 -11.127 374 3HZ LYS 29 2HZ LYS 50 -18.093 -9.419 -12.023 375 H THR 30 H THR 51 -13.167 -2.581 -9.894 376 HA THR 30 HA THR 51 -14.526 -1.383 -7.637 377 HB THR 30 HB THR 51 -12.812 0.015 -9.711 378 HG1 THR 30 HG1 THR 51 -11.496 -0.938 -7.573 379 1HG2 THR 30 2HG2 THR 51 -13.787 1.338 -7.698 380 2HG2 THR 30 1HG2 THR 51 -12.956 0.184 -6.660 381 3HG2 THR 30 3HG2 THR 51 -12.008 1.254 -7.687 No H/Q in entry = 381
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