NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
2819 | 1cmr | cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H CYS 1 HT2 CYS 1 -2.588 3.669 8.956 2 2H CYS 1 HT1 CYS 1 -3.842 4.281 7.987 3 3H CYS 1 HT3 CYS 1 -3.127 2.787 7.607 4 HA CYS 1 HA CYS 1 -1.064 3.833 7.170 5 1HB CYS 1 HB2 CYS 1 -1.632 4.852 4.998 6 2HB CYS 1 HB3 CYS 1 -2.684 3.461 5.328 7 H THR 2 HN THR 2 -0.119 6.119 6.292 8 HA THR 2 HA THR 2 -0.832 8.297 8.094 9 HB THR 2 HB THR 2 1.422 9.178 7.246 10 HG1 THR 2 HG1 THR 2 2.880 7.578 6.687 11 1HG2 THR 2 HG2 THR 2 0.971 8.323 9.567 12 2HG2 THR 2 HG2 THR 2 1.344 6.646 9.022 13 3HG2 THR 2 HG2 THR 2 2.633 7.906 9.016 14 H THR 3 HN THR 3 0.354 7.648 4.756 15 HA THR 3 HA THR 3 -1.860 9.101 3.555 16 HB THR 3 HB THR 3 -0.203 10.189 1.907 17 HG1 THR 3 HG1 THR 3 1.602 8.955 2.576 18 1HG2 THR 3 HG2 THR 3 -1.426 11.463 3.690 19 2HG2 THR 3 HG2 THR 3 -0.037 11.198 4.811 20 3HG2 THR 3 HG2 THR 3 0.195 12.142 3.298 21 H SER 4 HN SER 4 -0.505 8.691 0.951 22 HA SER 4 HA SER 4 -1.104 6.118 0.182 23 1HB SER 4 HB2 SER 4 -0.021 6.801 -1.984 24 2HB SER 4 HB3 SER 4 -1.248 7.939 -1.346 25 HG SER 4 HG SER 4 1.555 8.208 -1.058 26 H LYS 5 HN LYS 5 1.884 7.374 1.557 27 HA LYS 5 HA LYS 5 3.652 5.532 0.336 28 1HB LYS 5 HB2 LYS 5 5.430 6.670 1.385 29 2HB LYS 5 HB3 LYS 5 4.224 7.867 0.822 30 1HG LYS 5 HG2 LYS 5 3.265 7.872 3.202 31 2HG LYS 5 HG3 LYS 5 4.693 6.894 3.693 32 1HD LYS 5 HD2 LYS 5 6.206 8.712 2.786 33 2HD LYS 5 HD3 LYS 5 4.755 9.731 2.492 34 1HE LYS 5 HE2 LYS 5 5.686 8.636 5.244 35 2HE LYS 5 HE3 LYS 5 5.902 10.331 4.647 36 1HZ LYS 5 HZ2 LYS 5 3.512 10.539 4.545 37 2HZ LYS 5 HZ3 LYS 5 3.311 8.951 5.112 38 3HZ LYS 5 HZ1 LYS 5 4.031 10.123 6.108 39 H GLU 6 HN GLU 6 1.555 4.989 2.902 40 HA GLU 6 HA GLU 6 3.319 3.125 4.323 41 1HB GLU 6 HB2 GLU 6 2.092 4.998 5.538 42 2HB GLU 6 HB3 GLU 6 0.556 4.198 5.133 43 1HG GLU 6 HG2 GLU 6 1.264 3.704 7.455 44 2HG GLU 6 HG3 GLU 6 1.281 2.183 6.500 45 H CYS 7 HN CYS 7 1.335 3.180 1.683 46 HA CYS 7 HA CYS 7 0.289 0.455 2.043 47 1HB CYS 7 HB2 CYS 7 -0.491 2.588 -0.017 48 2HB CYS 7 HB3 CYS 7 -1.202 0.955 0.115 49 H TRP 8 HN TRP 8 3.078 1.808 1.239 50 HA TRP 8 HA TRP 8 3.638 0.524 -1.326 51 1HB TRP 8 HB2 TRP 8 5.304 2.367 0.435 52 2HB TRP 8 HB3 TRP 8 5.829 1.682 -1.141 53 HD1 TRP 8 HD1 TRP 8 2.304 2.787 -1.784 54 HE1 TRP 8 HE1 TRP 8 2.276 5.186 -2.640 55 HE3 TRP 8 HE3 TRP 8 7.079 3.974 -0.676 56 HZ2 TRP 8 HZ2 TRP 8 4.183 7.311 -3.023 57 HZ3 TRP 8 HZ3 TRP 8 7.967 6.235 -1.282 58 HH2 TRP 8 HH2 TRP 8 6.524 7.872 -2.440 59 H SER 9 HN SER 9 3.961 0.142 2.122 60 HA SER 9 HA SER 9 5.663 -2.252 1.859 61 1HB SER 9 HB2 SER 9 6.963 -0.225 2.676 62 2HB SER 9 HB3 SER 9 5.851 -0.100 4.074 63 HG SER 9 HG SER 9 7.505 -2.306 3.351 64 H VAL 10 HN VAL 10 3.217 -3.040 1.641 65 HA VAL 10 HA VAL 10 2.167 -3.570 4.299 66 HB VAL 10 HB VAL 10 1.156 -1.442 3.347 67 1HG1 VAL 10 HG1 VAL 10 0.808 -2.201 0.960 68 2HG1 VAL 10 HG1 VAL 10 -0.508 -3.280 1.557 69 3HG1 VAL 10 HG1 VAL 10 -0.651 -1.511 1.752 70 1HG2 VAL 10 HG2 VAL 10 0.239 -2.762 5.267 71 2HG2 VAL 10 HG2 VAL 10 -1.076 -2.020 4.282 72 3HG2 VAL 10 HG2 VAL 10 -0.719 -3.778 4.120 73 H CYS 11 HN CYS 11 1.739 -4.002 0.815 74 HA CYS 11 HA CYS 11 1.153 -6.886 1.137 75 1HB CYS 11 HB2 CYS 11 0.658 -4.956 -1.194 76 2HB CYS 11 HB3 CYS 11 0.366 -6.722 -1.284 77 H GLN 12 HN GLN 12 3.773 -4.957 0.795 78 HA GLN 12 HA GLN 12 5.279 -6.552 -1.140 79 1HB GLN 12 HB2 GLN 12 5.425 -4.066 -1.158 80 2HB GLN 12 HB3 GLN 12 5.888 -4.054 0.570 81 1HG GLN 12 HG2 GLN 12 8.042 -5.215 0.014 82 2HG GLN 12 HG3 GLN 12 7.561 -5.281 -1.729 83 1HE2 GLN 12 HE2 GLN 12 8.073 -1.765 -2.342 84 2HE2 GLN 12 HE2 GLN 12 7.243 -3.190 -2.873 85 H ARG 13 HN ARG 13 4.715 -5.951 2.256 86 HA ARG 13 HA ARG 13 6.836 -7.681 3.241 87 1HB ARG 13 HB2 ARG 13 4.806 -5.873 4.689 88 2HB ARG 13 HB3 ARG 13 6.180 -6.747 5.469 89 1HG ARG 13 HG2 ARG 13 6.322 -4.456 3.418 90 2HG ARG 13 HG3 ARG 13 6.668 -4.367 5.173 91 1HD ARG 13 HD2 ARG 13 8.318 -5.929 3.063 92 2HD ARG 13 HD3 ARG 13 8.769 -4.364 3.863 93 HE ARG 13 HE ARG 13 8.231 -6.232 5.953 94 1HH1 ARG 13 HH2 ARG 13 10.581 -5.871 3.283 95 2HH1 ARG 13 HH2 ARG 13 11.844 -6.729 4.103 96 1HH2 ARG 13 HH1 ARG 13 9.942 -7.378 7.034 97 2HH2 ARG 13 HH1 ARG 13 11.476 -7.595 6.259 98 H LEU 14 HN LEU 14 3.653 -8.077 2.148 99 HA LEU 14 HA LEU 14 3.091 -10.296 4.015 100 1HB LEU 14 HB2 LEU 14 1.541 -8.165 3.813 101 2HB LEU 14 HB3 LEU 14 0.904 -8.954 2.353 102 HG LEU 14 HG LEU 14 0.998 -10.050 5.240 103 1HD1 LEU 14 HD1 LEU 14 -0.577 -8.152 4.925 104 2HD1 LEU 14 HD1 LEU 14 -1.386 -9.028 3.571 105 3HD1 LEU 14 HD1 LEU 14 -1.463 -9.689 5.249 106 1HD2 LEU 14 HD2 LEU 14 -0.322 -11.357 2.781 107 2HD2 LEU 14 HD2 LEU 14 1.048 -12.015 3.754 108 3HD2 LEU 14 HD2 LEU 14 -0.581 -11.857 4.492 109 H HIS 15 HN HIS 15 2.614 -9.123 0.595 110 HA HIS 15 HA HIS 15 2.839 -11.883 -0.375 111 1HB HIS 15 HB2 HIS 15 1.594 -9.527 -1.870 112 2HB HIS 15 HB3 HIS 15 1.508 -11.300 -2.246 113 HD1 HIS 15 HD1 HIS 15 0.245 -12.740 -0.192 114 HD2 HIS 15 HD2 HIS 15 -0.631 -8.655 -0.568 115 HE1 HIS 15 HE1 HIS 15 -1.978 -12.290 0.985 116 H ASN 16 HN ASN 16 3.284 -9.718 -2.985 117 HA ASN 16 HA ASN 16 6.157 -9.540 -2.762 118 1HB ASN 16 HB2 ASN 16 4.678 -11.421 -4.758 119 2HB ASN 16 HB3 ASN 16 6.423 -10.977 -4.931 120 1HD2 ASN 16 HD2 ASN 16 7.576 -12.979 -2.141 121 2HD2 ASN 16 HD2 ASN 16 7.809 -11.424 -2.868 122 H THR 17 HN THR 17 4.039 -7.535 -2.996 123 HA THR 17 HA THR 17 4.162 -6.769 -5.823 124 HB THR 17 HB THR 17 2.049 -5.605 -5.436 125 HG1 THR 17 HG1 THR 17 2.241 -5.344 -3.195 126 1HG2 THR 17 HG2 THR 17 2.174 -7.962 -6.328 127 2HG2 THR 17 HG2 THR 17 2.021 -8.612 -4.662 128 3HG2 THR 17 HG2 THR 17 0.665 -7.665 -5.387 129 H SER 18 HN SER 18 3.356 -4.090 -5.332 130 HA SER 18 HA SER 18 5.906 -3.021 -4.278 131 1HB SER 18 HB2 SER 18 5.907 -3.401 -6.760 132 2HB SER 18 HB3 SER 18 4.539 -2.265 -6.927 133 HG SER 18 HG SER 18 6.585 -1.331 -7.277 134 H LYS 19 HN LYS 19 3.725 -1.026 -5.905 135 HA LYS 19 HA LYS 19 3.658 0.788 -3.721 136 1HB LYS 19 HB2 LYS 19 4.190 1.091 -6.270 137 2HB LYS 19 HB3 LYS 19 2.429 1.274 -6.480 138 1HG LYS 19 HG2 LYS 19 2.519 3.244 -4.862 139 2HG LYS 19 HG3 LYS 19 4.271 2.928 -4.613 140 1HD LYS 19 HD2 LYS 19 4.690 3.404 -7.033 141 2HD LYS 19 HD3 LYS 19 2.930 3.713 -7.274 142 1HE LYS 19 HE2 LYS 19 3.041 5.630 -5.637 143 2HE LYS 19 HE3 LYS 19 4.808 5.318 -5.397 144 1HZ LYS 19 HZ1 LYS 19 5.147 5.758 -7.733 145 2HZ LYS 19 HZ2 LYS 19 3.489 6.050 -7.960 146 3HZ LYS 19 HZ3 LYS 19 4.403 7.075 -6.961 147 H GLY 20 HN GLY 20 1.520 2.320 -3.833 148 1HA GLY 20 HA1 GLY 20 -1.013 1.105 -3.932 149 2HA GLY 20 HA2 GLY 20 -0.311 1.066 -2.268 150 H TRP 21 HN TRP 21 -2.570 2.513 -2.467 151 HA TRP 21 HA TRP 21 -1.551 5.002 -1.579 152 1HB TRP 21 HB2 TRP 21 -3.353 6.326 -2.728 153 2HB TRP 21 HB3 TRP 21 -2.009 5.812 -3.776 154 HD1 TRP 21 HD1 TRP 21 -5.824 5.243 -3.224 155 HE1 TRP 21 HE1 TRP 21 -6.789 3.937 -5.207 156 HE3 TRP 21 HE3 TRP 21 -1.460 4.282 -5.690 157 HZ2 TRP 21 HZ2 TRP 21 -5.811 2.691 -7.579 158 HZ3 TRP 21 HZ3 TRP 21 -1.531 3.026 -7.814 159 HH2 TRP 21 HH2 TRP 21 -3.674 2.236 -8.748 160 H CYS 22 HN CYS 22 -3.307 6.046 -0.237 161 HA CYS 22 HA CYS 22 -4.829 3.887 1.064 162 1HB CYS 22 HB2 CYS 22 -2.942 5.131 2.275 163 2HB CYS 22 HB3 CYS 22 -3.999 6.551 2.329 164 H ASP 23 HN ASP 23 -6.953 3.833 0.738 165 HA ASP 23 HA ASP 23 -8.516 6.295 0.426 166 1HB ASP 23 HB2 ASP 23 -8.924 3.318 -0.297 167 2HB ASP 23 HB3 ASP 23 -10.289 4.479 -0.291 168 H HIS 24 HN HIS 24 -10.800 5.767 1.634 169 HA HIS 24 HA HIS 24 -10.097 5.435 4.405 170 1HB HIS 24 HB2 HIS 24 -12.725 6.321 3.108 171 2HB HIS 24 HB3 HIS 24 -12.292 6.462 4.852 172 HD1 HIS 24 HD1 HIS 24 -9.881 7.933 5.183 173 HD2 HIS 24 HD2 HIS 24 -12.127 8.636 1.706 174 HE1 HIS 24 HE1 HIS 24 -9.164 10.183 4.208 175 H ARG 25 HN ARG 25 -10.550 3.062 2.371 176 HA ARG 25 HA ARG 25 -12.235 1.421 4.084 177 1HB ARG 25 HB2 ARG 25 -12.494 -0.032 2.033 178 2HB ARG 25 HB3 ARG 25 -13.248 1.584 1.996 179 1HG ARG 25 HG2 ARG 25 -12.453 1.246 -0.149 180 2HG ARG 25 HG3 ARG 25 -11.430 2.503 0.565 181 1HD ARG 25 HD2 ARG 25 -10.165 0.908 -0.904 182 2HD ARG 25 HD3 ARG 25 -9.545 0.862 0.795 183 HE ARG 25 HE ARG 25 -11.674 -1.118 0.334 184 1HH1 ARG 25 HH2 ARG 25 -8.188 -0.522 -0.170 185 2HH1 ARG 25 HH2 ARG 25 -7.771 -2.203 -0.201 186 1HH2 ARG 25 HH1 ARG 25 -11.093 -3.368 0.287 187 2HH2 ARG 25 HH1 ARG 25 -9.441 -3.840 0.061 188 H GLY 26 HN GLY 26 -8.983 2.149 3.051 189 1HA GLY 26 HA1 GLY 26 -7.508 0.896 4.689 190 2HA GLY 26 HA2 GLY 26 -7.974 -0.526 3.666 191 H CYS 27 HN CYS 27 -5.660 -0.654 3.191 192 HA CYS 27 HA CYS 27 -4.569 1.303 1.325 193 1HB CYS 27 HB2 CYS 27 -3.460 -1.207 2.688 194 2HB CYS 27 HB3 CYS 27 -2.611 -0.484 1.285 195 H ILE 28 HN ILE 28 -4.529 1.113 -0.759 196 HA ILE 28 HA ILE 28 -5.466 -1.163 -2.253 197 HB ILE 28 HB ILE 28 -4.267 1.513 -3.161 198 1HG1 ILE 28 HG1 ILE 28 -6.389 1.728 -1.785 199 2HG1 ILE 28 HG1 ILE 28 -6.466 2.326 -3.458 200 1HG2 ILE 28 HG2 ILE 28 -5.684 -0.740 -4.707 201 2HG2 ILE 28 HG2 ILE 28 -5.420 0.933 -5.334 202 3HG2 ILE 28 HG2 ILE 28 -4.009 -0.109 -4.951 203 1HD1 ILE 28 HD1 ILE 28 -7.607 -0.397 -2.581 204 2HD1 ILE 28 HD1 ILE 28 -8.540 1.137 -2.746 205 3HD1 ILE 28 HD1 ILE 28 -7.775 0.401 -4.199 206 H CYS 29 HN CYS 29 -4.054 -2.626 -3.384 207 HA CYS 29 HA CYS 29 -1.153 -2.296 -2.983 208 1HB CYS 29 HB2 CYS 29 -2.975 -4.768 -2.713 209 2HB CYS 29 HB3 CYS 29 -1.189 -4.835 -2.838 210 H GLU 30 HN GLU 30 -0.312 -1.880 -4.966 211 HA GLU 30 HA GLU 30 -1.363 -3.242 -7.360 212 1HB GLU 30 HB2 GLU 30 0.316 -0.670 -7.137 213 2HB GLU 30 HB3 GLU 30 -0.278 -1.416 -8.659 214 1HG GLU 30 HG2 GLU 30 -2.024 -0.188 -6.421 215 2HG GLU 30 HG3 GLU 30 -1.612 0.563 -8.002 216 H SER 31 HN SER 31 0.174 -4.198 -8.733 217 HA SER 31 HA SER 31 2.495 -5.314 -7.403 218 1HB SER 31 HB2 SER 31 1.358 -5.771 -10.222 219 2HB SER 31 HB3 SER 31 2.689 -6.716 -9.444 220 HG SER 31 HG SER 31 0.664 -7.704 -9.276 No H/Q in entry = 220 Start of MODEL 2 1 1H CYS 1 HT2 CYS 1 -6.709 5.183 7.516 2 2H CYS 1 HT1 CYS 1 -5.959 4.115 6.428 3 3H CYS 1 HT3 CYS 1 -5.367 4.266 8.014 4 HA CYS 1 HA CYS 1 -4.754 6.512 7.623 5 1HB CYS 1 HB2 CYS 1 -2.811 6.155 6.141 6 2HB CYS 1 HB3 CYS 1 -3.066 4.831 7.293 7 H THR 2 HN THR 2 -3.990 8.059 5.770 8 HA THR 2 HA THR 2 -5.712 8.231 3.499 9 HB THR 2 HB THR 2 -7.260 8.931 5.313 10 HG1 THR 2 HG1 THR 2 -6.516 10.993 3.545 11 1HG2 THR 2 HG2 THR 2 -5.587 9.945 6.891 12 2HG2 THR 2 HG2 THR 2 -5.379 11.343 5.771 13 3HG2 THR 2 HG2 THR 2 -6.974 11.032 6.537 14 H THR 3 HN THR 3 -2.899 7.968 4.100 15 HA THR 3 HA THR 3 -1.794 10.528 3.134 16 HB THR 3 HB THR 3 0.404 9.651 4.052 17 HG1 THR 3 HG1 THR 3 0.163 8.155 5.732 18 1HG2 THR 3 HG2 THR 3 -0.980 11.443 5.123 19 2HG2 THR 3 HG2 THR 3 -1.895 10.195 6.048 20 3HG2 THR 3 HG2 THR 3 -0.132 10.422 6.340 21 H SER 4 HN SER 4 0.365 7.970 2.871 22 HA SER 4 HA SER 4 -0.558 6.613 0.602 23 1HB SER 4 HB2 SER 4 1.774 8.630 0.179 24 2HB SER 4 HB3 SER 4 1.467 7.218 -0.906 25 HG SER 4 HG SER 4 0.599 9.120 -1.679 26 H LYS 5 HN LYS 5 2.220 7.812 2.539 27 HA LYS 5 HA LYS 5 3.595 5.273 2.547 28 1HB LYS 5 HB2 LYS 5 4.707 7.419 2.062 29 2HB LYS 5 HB3 LYS 5 4.398 7.955 3.743 30 1HG LYS 5 HG2 LYS 5 5.859 6.057 4.559 31 2HG LYS 5 HG3 LYS 5 6.024 5.468 2.874 32 1HD LYS 5 HD2 LYS 5 7.148 7.601 2.231 33 2HD LYS 5 HD3 LYS 5 6.974 8.215 3.911 34 1HE LYS 5 HE2 LYS 5 8.597 5.705 3.080 35 2HE LYS 5 HE3 LYS 5 9.289 7.335 3.452 36 1HZ LYS 5 HZ1 LYS 5 7.746 5.621 5.326 37 2HZ LYS 5 HZ2 LYS 5 9.430 5.842 5.310 38 3HZ LYS 5 HZ3 LYS 5 8.404 7.147 5.673 39 H GLU 6 HN GLU 6 1.034 5.074 3.889 40 HA GLU 6 HA GLU 6 2.098 4.109 6.429 41 1HB GLU 6 HB2 GLU 6 0.552 6.144 6.751 42 2HB GLU 6 HB3 GLU 6 -0.762 5.206 6.031 43 1HG GLU 6 HG2 GLU 6 -0.890 5.217 8.504 44 2HG GLU 6 HG3 GLU 6 -0.590 3.540 7.942 45 H CYS 7 HN CYS 7 1.739 3.323 3.468 46 HA CYS 7 HA CYS 7 0.714 0.642 3.910 47 1HB CYS 7 HB2 CYS 7 -0.355 2.623 1.816 48 2HB CYS 7 HB3 CYS 7 -0.504 0.855 1.557 49 H TRP 8 HN TRP 8 3.382 2.164 3.476 50 HA TRP 8 HA TRP 8 4.204 0.933 0.925 51 1HB TRP 8 HB2 TRP 8 5.716 2.791 2.821 52 2HB TRP 8 HB3 TRP 8 6.460 1.933 1.423 53 HD1 TRP 8 HD1 TRP 8 3.022 3.378 0.491 54 HE1 TRP 8 HE1 TRP 8 3.436 5.439 -0.960 55 HE3 TRP 8 HE3 TRP 8 8.017 3.781 1.276 56 HZ2 TRP 8 HZ2 TRP 8 5.685 7.050 -1.729 57 HZ3 TRP 8 HZ3 TRP 8 9.255 5.679 0.235 58 HH2 TRP 8 HH2 TRP 8 8.110 7.269 -1.260 59 H SER 9 HN SER 9 5.319 -0.915 0.840 60 HA SER 9 HA SER 9 6.202 -2.806 1.287 61 1HB SER 9 HB2 SER 9 7.310 -1.489 3.812 62 2HB SER 9 HB3 SER 9 7.760 -3.157 3.263 63 HG SER 9 HG SER 9 9.162 -1.550 2.560 64 H VAL 10 HN VAL 10 3.604 -2.959 1.476 65 HA VAL 10 HA VAL 10 2.821 -4.165 4.029 66 HB VAL 10 HB VAL 10 1.729 -2.086 3.454 67 1HG1 VAL 10 HG1 VAL 10 1.813 -2.144 0.954 68 2HG1 VAL 10 HG1 VAL 10 0.458 -3.328 0.949 69 3HG1 VAL 10 HG1 VAL 10 0.207 -1.703 1.635 70 1HG2 VAL 10 HG2 VAL 10 0.548 -3.868 4.781 71 2HG2 VAL 10 HG2 VAL 10 -0.591 -2.818 3.860 72 3HG2 VAL 10 HG2 VAL 10 -0.227 -4.473 3.265 73 H CYS 11 HN CYS 11 2.144 -4.323 0.592 74 HA CYS 11 HA CYS 11 1.649 -7.240 0.674 75 1HB CYS 11 HB2 CYS 11 0.741 -5.078 -1.308 76 2HB CYS 11 HB3 CYS 11 0.409 -6.833 -1.496 77 H GLN 12 HN GLN 12 4.069 -5.033 -0.001 78 HA GLN 12 HA GLN 12 5.288 -6.397 -2.253 79 1HB GLN 12 HB2 GLN 12 5.304 -3.944 -2.116 80 2HB GLN 12 HB3 GLN 12 6.049 -3.990 -0.494 81 1HG GLN 12 HG2 GLN 12 8.170 -4.867 -1.438 82 2HG GLN 12 HG3 GLN 12 7.408 -5.051 -3.064 83 1HE2 GLN 12 HE2 GLN 12 8.210 -1.210 -1.557 84 2HE2 GLN 12 HE2 GLN 12 7.923 -2.528 -0.470 85 H ARG 13 HN ARG 13 5.332 -6.139 1.216 86 HA ARG 13 HA ARG 13 7.753 -7.626 1.700 87 1HB ARG 13 HB2 ARG 13 7.072 -5.592 2.974 88 2HB ARG 13 HB3 ARG 13 5.614 -6.430 3.572 89 1HG ARG 13 HG2 ARG 13 7.085 -8.048 4.822 90 2HG ARG 13 HG3 ARG 13 8.542 -7.274 4.097 91 1HD ARG 13 HD2 ARG 13 7.962 -5.109 5.235 92 2HD ARG 13 HD3 ARG 13 6.492 -5.895 5.967 93 HE ARG 13 HE ARG 13 8.777 -7.522 6.595 94 1HH1 ARG 13 HH1 ARG 13 7.510 -4.269 7.364 95 2HH1 ARG 13 HH1 ARG 13 8.267 -4.198 8.921 96 1HH2 ARG 13 HH2 ARG 13 9.783 -7.403 8.689 97 2HH2 ARG 13 HH2 ARG 13 9.574 -5.999 9.683 98 H LEU 14 HN LEU 14 4.271 -8.207 1.430 99 HA LEU 14 HA LEU 14 4.447 -10.759 2.880 100 1HB LEU 14 HB2 LEU 14 2.951 -9.005 3.805 101 2HB LEU 14 HB3 LEU 14 2.032 -8.969 2.277 102 HG LEU 14 HG LEU 14 1.301 -11.329 2.652 103 1HD1 LEU 14 HD1 LEU 14 2.846 -11.150 5.321 104 2HD1 LEU 14 HD1 LEU 14 1.679 -12.447 4.866 105 3HD1 LEU 14 HD1 LEU 14 3.211 -12.260 3.945 106 1HD2 LEU 14 HD2 LEU 14 -0.048 -9.403 3.499 107 2HD2 LEU 14 HD2 LEU 14 -0.241 -10.871 4.529 108 3HD2 LEU 14 HD2 LEU 14 0.800 -9.506 5.087 109 H HIS 15 HN HIS 15 2.717 -9.290 0.022 110 HA HIS 15 HA HIS 15 2.166 -11.988 -0.958 111 1HB HIS 15 HB2 HIS 15 0.886 -9.296 -1.625 112 2HB HIS 15 HB3 HIS 15 0.394 -10.879 -2.331 113 HD1 HIS 15 HD1 HIS 15 -0.010 -12.768 -0.141 114 HD2 HIS 15 HD2 HIS 15 -0.883 -8.701 0.385 115 HE1 HIS 15 HE1 HIS 15 -1.697 -12.555 1.767 116 H ASN 16 HN ASN 16 4.508 -9.638 -1.601 117 HA ASN 16 HA ASN 16 6.165 -9.657 -2.968 118 1HB ASN 16 HB2 ASN 16 4.884 -11.941 -4.568 119 2HB ASN 16 HB3 ASN 16 6.603 -11.405 -4.704 120 1HD2 ASN 16 HD2 ASN 16 7.537 -12.625 -1.363 121 2HD2 ASN 16 HD2 ASN 16 7.691 -11.194 -2.326 122 H THR 17 HN THR 17 3.897 -7.849 -3.516 123 HA THR 17 HA THR 17 3.921 -7.569 -6.423 124 HB THR 17 HB THR 17 1.737 -6.485 -6.099 125 HG1 THR 17 HG1 THR 17 0.718 -6.751 -4.136 126 1HG2 THR 17 HG2 THR 17 1.995 -8.936 -6.614 127 2HG2 THR 17 HG2 THR 17 2.013 -9.325 -4.870 128 3HG2 THR 17 HG2 THR 17 0.531 -8.611 -5.612 129 H SER 18 HN SER 18 2.966 -4.850 -6.283 130 HA SER 18 HA SER 18 5.546 -3.547 -5.635 131 1HB SER 18 HB2 SER 18 3.506 -2.875 -7.814 132 2HB SER 18 HB3 SER 18 5.019 -1.943 -7.457 133 HG SER 18 HG SER 18 6.169 -3.852 -7.852 134 H LYS 19 HN LYS 19 3.086 -1.459 -6.533 135 HA LYS 19 HA LYS 19 3.624 0.099 -4.264 136 1HB LYS 19 HB2 LYS 19 1.811 0.633 -6.634 137 2HB LYS 19 HB3 LYS 19 2.190 1.824 -5.334 138 1HG LYS 19 HG2 LYS 19 4.679 1.447 -5.823 139 2HG LYS 19 HG3 LYS 19 4.170 0.502 -7.265 140 1HD LYS 19 HD2 LYS 19 4.676 2.709 -8.008 141 2HD LYS 19 HD3 LYS 19 2.881 2.541 -8.058 142 1HE LYS 19 HE2 LYS 19 2.714 3.872 -5.908 143 2HE LYS 19 HE3 LYS 19 4.518 3.992 -5.847 144 1HZ LYS 19 HZ1 LYS 19 4.451 5.170 -7.937 145 2HZ LYS 19 HZ2 LYS 19 2.758 5.053 -7.995 146 3HZ LYS 19 HZ3 LYS 19 3.505 5.949 -6.760 147 H GLY 20 HN GLY 20 2.513 0.789 -2.594 148 1HA GLY 20 HA1 GLY 20 -0.277 -0.012 -2.115 149 2HA GLY 20 HA2 GLY 20 1.051 -0.088 -0.912 150 H TRP 21 HN TRP 21 -1.566 1.798 -1.780 151 HA TRP 21 HA TRP 21 -0.349 4.138 -0.546 152 1HB TRP 21 HB2 TRP 21 -1.622 5.640 -2.007 153 2HB TRP 21 HB3 TRP 21 -0.388 4.737 -2.921 154 HD1 TRP 21 HD1 TRP 21 -4.238 5.156 -2.656 155 HE1 TRP 21 HE1 TRP 21 -5.353 3.949 -4.621 156 HE3 TRP 21 HE3 TRP 21 -0.101 2.877 -4.593 157 HZ2 TRP 21 HZ2 TRP 21 -4.542 2.382 -6.849 158 HZ3 TRP 21 HZ3 TRP 21 -0.325 1.555 -6.670 159 HH2 TRP 21 HH2 TRP 21 -2.503 1.331 -7.801 160 H CYS 22 HN CYS 22 -2.157 5.509 0.331 161 HA CYS 22 HA CYS 22 -4.187 3.806 1.604 162 1HB CYS 22 HB2 CYS 22 -3.038 6.625 2.113 163 2HB CYS 22 HB3 CYS 22 -4.394 5.946 3.085 164 H ASP 23 HN ASP 23 -6.413 4.254 1.292 165 HA ASP 23 HA ASP 23 -7.207 6.587 -0.320 166 1HB ASP 23 HB2 ASP 23 -8.322 3.755 0.048 167 2HB ASP 23 HB3 ASP 23 -9.449 5.113 -0.321 168 H HIS 24 HN HIS 24 -8.967 4.573 2.073 169 HA HIS 24 HA HIS 24 -8.974 6.705 4.039 170 1HB HIS 24 HB2 HIS 24 -11.624 5.713 2.791 171 2HB HIS 24 HB3 HIS 24 -11.455 6.795 4.218 172 HD1 HIS 24 HD1 HIS 24 -11.517 6.864 0.479 173 HD2 HIS 24 HD2 HIS 24 -10.479 9.456 3.612 174 HE1 HIS 24 HE1 HIS 24 -11.349 9.231 -0.469 175 H ARG 25 HN ARG 25 -10.306 3.578 2.897 176 HA ARG 25 HA ARG 25 -10.971 2.606 5.405 177 1HB ARG 25 HB2 ARG 25 -10.859 1.038 2.763 178 2HB ARG 25 HB3 ARG 25 -11.866 0.729 4.223 179 1HG ARG 25 HG2 ARG 25 -13.423 1.700 2.883 180 2HG ARG 25 HG3 ARG 25 -12.810 3.185 3.678 181 1HD ARG 25 HD2 ARG 25 -11.294 3.519 1.589 182 2HD ARG 25 HD3 ARG 25 -12.095 2.094 0.840 183 HE ARG 25 HE ARG 25 -13.230 4.822 1.368 184 1HH1 ARG 25 HH2 ARG 25 -13.973 1.462 0.380 185 2HH1 ARG 25 HH2 ARG 25 -15.483 1.885 -0.357 186 1HH2 ARG 25 HH1 ARG 25 -15.248 5.351 0.376 187 2HH2 ARG 25 HH1 ARG 25 -16.215 4.116 -0.359 188 H GLY 26 HN GLY 26 -8.217 2.038 3.180 189 1HA GLY 26 HA1 GLY 26 -6.539 0.891 5.104 190 2HA GLY 26 HA2 GLY 26 -7.337 -0.386 4.093 191 H CYS 27 HN CYS 27 -5.333 -0.919 3.196 192 HA CYS 27 HA CYS 27 -3.966 1.001 1.484 193 1HB CYS 27 HB2 CYS 27 -3.338 -1.975 2.109 194 2HB CYS 27 HB3 CYS 27 -2.271 -0.841 1.208 195 H ILE 28 HN ILE 28 -3.456 0.494 -0.741 196 HA ILE 28 HA ILE 28 -5.402 -1.160 -2.167 197 HB ILE 28 HB ILE 28 -3.965 1.404 -3.040 198 1HG1 ILE 28 HG1 ILE 28 -5.841 1.727 -1.304 199 2HG1 ILE 28 HG1 ILE 28 -5.945 2.608 -2.842 200 1HG2 ILE 28 HG2 ILE 28 -5.863 -0.617 -4.393 201 2HG2 ILE 28 HG2 ILE 28 -5.640 1.073 -5.023 202 3HG2 ILE 28 HG2 ILE 28 -4.247 -0.065 -4.951 203 1HD1 ILE 28 HD1 ILE 28 -7.476 -0.019 -2.357 204 2HD1 ILE 28 HD1 ILE 28 -8.142 1.630 -2.060 205 3HD1 ILE 28 HD1 ILE 28 -7.648 1.157 -3.729 206 H CYS 29 HN CYS 29 -4.284 -3.015 -2.636 207 HA CYS 29 HA CYS 29 -1.351 -2.953 -2.898 208 1HB CYS 29 HB2 CYS 29 -3.358 -5.118 -2.096 209 2HB CYS 29 HB3 CYS 29 -1.644 -5.464 -2.494 210 H GLU 30 HN GLU 30 -0.954 -2.524 -5.071 211 HA GLU 30 HA GLU 30 -2.150 -4.313 -7.097 212 1HB GLU 30 HB2 GLU 30 -0.980 -1.485 -7.429 213 2HB GLU 30 HB3 GLU 30 -1.609 -2.526 -8.757 214 1HG GLU 30 HG2 GLU 30 -3.234 -1.330 -6.424 215 2HG GLU 30 HG3 GLU 30 -3.236 -0.785 -8.139 216 H SER 31 HN SER 31 -0.751 -5.084 -8.725 217 HA SER 31 HA SER 31 1.969 -5.660 -7.863 218 1HB SER 31 HB2 SER 31 0.367 -6.597 -10.320 219 2HB SER 31 HB3 SER 31 1.963 -7.243 -9.769 220 HG SER 31 HG SER 31 0.209 -8.504 -9.121 No H/Q in entry = 220 Start of MODEL 3 1 1H CYS 1 HT3 CYS 1 -4.312 3.401 8.545 2 2H CYS 1 HT2 CYS 1 -5.317 3.544 7.182 3 3H CYS 1 HT1 CYS 1 -4.295 2.196 7.345 4 HA CYS 1 HA CYS 1 -2.387 3.568 7.204 5 1HB CYS 1 HB2 CYS 1 -2.514 4.174 4.762 6 2HB CYS 1 HB3 CYS 1 -3.138 2.560 5.160 7 H THR 2 HN THR 2 -1.314 5.599 6.889 8 HA THR 2 HA THR 2 -2.818 7.926 7.765 9 HB THR 2 HB THR 2 -0.430 8.713 8.285 10 HG1 THR 2 HG1 THR 2 1.013 7.033 8.653 11 1HG2 THR 2 HG2 THR 2 -2.123 7.979 9.986 12 2HG2 THR 2 HG2 THR 2 -1.588 6.269 9.786 13 3HG2 THR 2 HG2 THR 2 -0.452 7.499 10.454 14 H THR 3 HN THR 3 -0.295 6.811 5.434 15 HA THR 3 HA THR 3 -0.928 9.050 3.622 16 HB THR 3 HB THR 3 1.550 9.082 3.048 17 HG1 THR 3 HG1 THR 3 2.049 7.074 4.037 18 1HG2 THR 3 HG2 THR 3 0.446 10.807 4.494 19 2HG2 THR 3 HG2 THR 3 0.841 9.830 5.958 20 3HG2 THR 3 HG2 THR 3 2.164 10.511 4.944 21 H SER 4 HN SER 4 0.217 8.507 1.448 22 HA SER 4 HA SER 4 -0.769 6.165 0.260 23 1HB SER 4 HB2 SER 4 -0.585 8.428 -0.810 24 2HB SER 4 HB3 SER 4 1.201 8.271 -0.819 25 HG SER 4 HG SER 4 -0.689 6.557 -2.086 26 H LYS 5 HN LYS 5 2.362 7.174 1.609 27 HA LYS 5 HA LYS 5 3.870 4.958 0.538 28 1HB LYS 5 HB2 LYS 5 4.813 7.285 2.305 29 2HB LYS 5 HB3 LYS 5 5.835 6.051 1.478 30 1HG LYS 5 HG2 LYS 5 6.071 7.712 -0.019 31 2HG LYS 5 HG3 LYS 5 4.616 6.922 -0.711 32 1HD LYS 5 HD2 LYS 5 3.199 8.679 0.534 33 2HD LYS 5 HD3 LYS 5 4.730 9.481 1.013 34 1HE LYS 5 HE2 LYS 5 3.750 8.993 -1.891 35 2HE LYS 5 HE3 LYS 5 3.687 10.567 -0.998 36 1HZ LYS 5 HZ3 LYS 5 6.085 10.519 -0.860 37 2HZ LYS 5 HZ1 LYS 5 6.142 9.044 -1.701 38 3HZ LYS 5 HZ2 LYS 5 5.558 10.440 -2.473 39 H GLU 6 HN GLU 6 1.688 4.814 2.786 40 HA GLU 6 HA GLU 6 3.153 3.261 4.790 41 1HB GLU 6 HB2 GLU 6 1.379 5.058 5.345 42 2HB GLU 6 HB3 GLU 6 0.142 3.948 4.716 43 1HG GLU 6 HG2 GLU 6 2.126 3.370 7.039 44 2HG GLU 6 HG3 GLU 6 0.457 4.013 7.242 45 H CYS 7 HN CYS 7 1.180 3.182 1.897 46 HA CYS 7 HA CYS 7 0.459 0.370 2.107 47 1HB CYS 7 HB2 CYS 7 -0.426 2.551 0.139 48 2HB CYS 7 HB3 CYS 7 -1.100 0.898 0.229 49 H TRP 8 HN TRP 8 3.206 1.848 1.189 50 HA TRP 8 HA TRP 8 3.610 0.636 -1.442 51 1HB TRP 8 HB2 TRP 8 5.289 2.458 0.337 52 2HB TRP 8 HB3 TRP 8 5.926 1.740 -1.182 53 HD1 TRP 8 HD1 TRP 8 2.337 2.942 -1.698 54 HE1 TRP 8 HE1 TRP 8 2.398 5.221 -2.826 55 HE3 TRP 8 HE3 TRP 8 7.331 3.729 -1.414 56 HZ2 TRP 8 HZ2 TRP 8 4.435 6.999 -3.862 57 HZ3 TRP 8 HZ3 TRP 8 8.318 5.737 -2.513 58 HH2 TRP 8 HH2 TRP 8 6.882 7.343 -3.719 59 H SER 9 HN SER 9 4.104 -0.016 1.925 60 HA SER 9 HA SER 9 5.682 -2.427 1.313 61 1HB SER 9 HB2 SER 9 7.068 -2.011 3.387 62 2HB SER 9 HB3 SER 9 7.360 -0.853 2.044 63 HG SER 9 HG SER 9 5.707 -0.376 4.289 64 H VAL 10 HN VAL 10 3.130 -2.887 1.314 65 HA VAL 10 HA VAL 10 2.357 -3.629 4.053 66 HB VAL 10 HB VAL 10 1.301 -1.546 3.116 67 1HG1 VAL 10 HG1 VAL 10 0.821 -2.345 0.783 68 2HG1 VAL 10 HG1 VAL 10 -0.444 -3.435 1.469 69 3HG1 VAL 10 HG1 VAL 10 -0.602 -1.661 1.638 70 1HG2 VAL 10 HG2 VAL 10 0.506 -2.823 5.121 71 2HG2 VAL 10 HG2 VAL 10 -0.874 -2.117 4.202 72 3HG2 VAL 10 HG2 VAL 10 -0.507 -3.875 4.060 73 H CYS 11 HN CYS 11 1.862 -4.164 0.590 74 HA CYS 11 HA CYS 11 1.293 -7.041 1.048 75 1HB CYS 11 HB2 CYS 11 0.744 -5.274 -1.395 76 2HB CYS 11 HB3 CYS 11 0.486 -7.042 -1.362 77 H GLN 12 HN GLN 12 3.983 -5.135 0.482 78 HA GLN 12 HA GLN 12 5.331 -7.348 -0.941 79 1HB GLN 12 HB2 GLN 12 6.985 -5.773 -1.811 80 2HB GLN 12 HB3 GLN 12 5.312 -5.417 -2.312 81 1HG GLN 12 HG2 GLN 12 5.739 -3.341 -1.958 82 2HG GLN 12 HG3 GLN 12 5.320 -3.708 -0.266 83 1HE2 GLN 12 HE2 GLN 12 9.192 -2.691 -1.378 84 2HE2 GLN 12 HE2 GLN 12 7.909 -2.876 -2.526 85 H ARG 13 HN ARG 13 4.568 -6.308 1.975 86 HA ARG 13 HA ARG 13 7.048 -7.079 3.318 87 1HB ARG 13 HB2 ARG 13 5.884 -4.998 4.054 88 2HB ARG 13 HB3 ARG 13 4.373 -5.914 4.322 89 1HG ARG 13 HG2 ARG 13 5.504 -7.220 6.147 90 2HG ARG 13 HG3 ARG 13 7.034 -6.319 5.834 91 1HD ARG 13 HD2 ARG 13 5.926 -4.174 6.465 92 2HD ARG 13 HD3 ARG 13 4.346 -5.012 6.697 93 HE ARG 13 HE ARG 13 6.750 -5.079 8.479 94 1HH1 ARG 13 HH2 ARG 13 3.601 -6.613 7.736 95 2HH1 ARG 13 HH2 ARG 13 3.448 -7.341 9.301 96 1HH2 ARG 13 HH1 ARG 13 6.515 -6.066 10.558 97 2HH2 ARG 13 HH1 ARG 13 5.120 -7.027 10.920 98 H LEU 14 HN LEU 14 3.725 -8.020 2.426 99 HA LEU 14 HA LEU 14 3.754 -10.460 4.038 100 1HB LEU 14 HB2 LEU 14 1.618 -8.691 2.805 101 2HB LEU 14 HB3 LEU 14 1.242 -10.425 3.049 102 HG LEU 14 HG LEU 14 1.612 -10.329 5.412 103 1HD1 LEU 14 HD1 LEU 14 2.276 -7.330 5.137 104 2HD1 LEU 14 HD1 LEU 14 1.887 -8.178 6.677 105 3HD1 LEU 14 HD1 LEU 14 3.354 -8.638 5.753 106 1HD2 LEU 14 HD2 LEU 14 -0.632 -9.816 4.468 107 2HD2 LEU 14 HD2 LEU 14 -0.357 -8.936 6.017 108 3HD2 LEU 14 HD2 LEU 14 -0.237 -8.056 4.447 109 H HIS 15 HN HIS 15 2.899 -9.345 0.660 110 HA HIS 15 HA HIS 15 3.001 -12.124 -0.216 111 1HB HIS 15 HB2 HIS 15 1.786 -9.753 -1.700 112 2HB HIS 15 HB3 HIS 15 1.628 -11.503 -2.072 113 HD1 HIS 15 HD1 HIS 15 0.701 -12.766 0.479 114 HD2 HIS 15 HD2 HIS 15 -0.513 -8.882 -0.553 115 HE1 HIS 15 HE1 HIS 15 -1.426 -12.219 1.786 116 H ASN 16 HN ASN 16 3.595 -9.314 -2.406 117 HA ASN 16 HA ASN 16 6.332 -10.132 -2.796 118 1HB ASN 16 HB2 ASN 16 6.147 -10.707 -5.198 119 2HB ASN 16 HB3 ASN 16 5.328 -11.878 -4.133 120 1HD2 ASN 16 HD2 ASN 16 1.980 -11.154 -5.305 121 2HD2 ASN 16 HD2 ASN 16 2.870 -11.630 -3.896 122 H THR 17 HN THR 17 3.716 -8.072 -4.360 123 HA THR 17 HA THR 17 5.709 -5.936 -4.549 124 HB THR 17 HB THR 17 4.808 -5.349 -6.795 125 HG1 THR 17 HG1 THR 17 3.843 -8.025 -6.702 126 1HG2 THR 17 HG2 THR 17 7.030 -6.455 -6.451 127 2HG2 THR 17 HG2 THR 17 6.254 -8.073 -6.633 128 3HG2 THR 17 HG2 THR 17 6.260 -6.915 -8.013 129 H SER 18 HN SER 18 4.971 -3.976 -4.151 130 HA SER 18 HA SER 18 2.185 -3.427 -4.034 131 1HB SER 18 HB2 SER 18 2.726 -4.316 -1.731 132 2HB SER 18 HB3 SER 18 3.593 -2.780 -1.434 133 HG SER 18 HG SER 18 1.435 -2.745 -0.787 134 H LYS 19 HN LYS 19 1.889 -1.564 -5.106 135 HA LYS 19 HA LYS 19 3.436 0.775 -4.317 136 1HB LYS 19 HB2 LYS 19 2.773 -0.162 -7.160 137 2HB LYS 19 HB3 LYS 19 3.014 1.592 -6.821 138 1HG LYS 19 HG2 LYS 19 5.213 -0.409 -6.096 139 2HG LYS 19 HG3 LYS 19 4.952 0.129 -7.781 140 1HD LYS 19 HD2 LYS 19 6.678 1.502 -6.837 141 2HD LYS 19 HD3 LYS 19 5.223 2.495 -7.168 142 1HE LYS 19 HE2 LYS 19 6.326 3.181 -5.048 143 2HE LYS 19 HE3 LYS 19 4.680 2.530 -4.702 144 1HZ LYS 19 HZ3 LYS 19 7.254 1.063 -4.424 145 2HZ LYS 19 HZ1 LYS 19 6.312 1.713 -3.170 146 3HZ LYS 19 HZ2 LYS 19 5.708 0.431 -4.107 147 H GLY 20 HN GLY 20 1.729 1.030 -2.838 148 1HA GLY 20 HA1 GLY 20 -1.037 0.934 -3.787 149 2HA GLY 20 HA2 GLY 20 -0.359 0.870 -2.145 150 H TRP 21 HN TRP 21 -2.512 2.383 -2.314 151 HA TRP 21 HA TRP 21 -1.406 4.839 -1.410 152 1HB TRP 21 HB2 TRP 21 -3.169 6.214 -2.556 153 2HB TRP 21 HB3 TRP 21 -1.866 5.634 -3.619 154 HD1 TRP 21 HD1 TRP 21 -5.687 5.218 -2.994 155 HE1 TRP 21 HE1 TRP 21 -6.734 3.925 -4.943 156 HE3 TRP 21 HE3 TRP 21 -1.405 4.053 -5.520 157 HZ2 TRP 21 HZ2 TRP 21 -5.850 2.633 -7.326 158 HZ3 TRP 21 HZ3 TRP 21 -1.563 2.773 -7.625 159 HH2 TRP 21 HH2 TRP 21 -3.754 2.078 -8.525 160 H CYS 22 HN CYS 22 -3.250 6.018 -0.282 161 HA CYS 22 HA CYS 22 -4.819 4.069 1.282 162 1HB CYS 22 HB2 CYS 22 -2.928 5.234 2.406 163 2HB CYS 22 HB3 CYS 22 -3.541 6.819 1.905 164 H ASP 23 HN ASP 23 -7.052 4.209 0.869 165 HA ASP 23 HA ASP 23 -8.116 6.642 -0.367 166 1HB ASP 23 HB2 ASP 23 -8.834 3.679 -0.408 167 2HB ASP 23 HB3 ASP 23 -10.142 4.900 -0.682 168 H HIS 24 HN HIS 24 -9.893 4.258 1.652 169 HA HIS 24 HA HIS 24 -10.508 6.365 3.591 170 1HB HIS 24 HB2 HIS 24 -12.666 4.886 1.950 171 2HB HIS 24 HB3 HIS 24 -12.957 6.000 3.335 172 HD1 HIS 24 HD1 HIS 24 -12.158 6.031 -0.356 173 HD2 HIS 24 HD2 HIS 24 -12.563 8.772 2.796 174 HE1 HIS 24 HE1 HIS 24 -12.305 8.377 -1.356 175 H ARG 25 HN ARG 25 -11.026 3.001 2.446 176 HA ARG 25 HA ARG 25 -11.785 2.042 4.999 177 1HB ARG 25 HB2 ARG 25 -11.353 0.593 2.334 178 2HB ARG 25 HB3 ARG 25 -12.104 -0.118 3.813 179 1HG ARG 25 HG2 ARG 25 -13.938 1.579 3.686 180 2HG ARG 25 HG3 ARG 25 -13.183 2.287 2.219 181 1HD ARG 25 HD2 ARG 25 -15.030 0.814 1.513 182 2HD ARG 25 HD3 ARG 25 -13.452 0.108 1.001 183 HE ARG 25 HE ARG 25 -13.704 -1.669 2.523 184 1HH1 ARG 25 HH1 ARG 25 -16.301 0.721 3.126 185 2HH1 ARG 25 HH1 ARG 25 -17.198 -0.334 4.167 186 1HH2 ARG 25 HH2 ARG 25 -14.925 -3.051 3.917 187 2HH2 ARG 25 HH2 ARG 25 -16.409 -2.498 4.621 188 H GLY 26 HN GLY 26 -8.824 2.047 2.993 189 1HA GLY 26 HA1 GLY 26 -7.060 1.400 4.956 190 2HA GLY 26 HA2 GLY 26 -7.582 -0.171 4.207 191 H CYS 27 HN CYS 27 -5.471 -0.433 3.419 192 HA CYS 27 HA CYS 27 -4.403 1.353 1.416 193 1HB CYS 27 HB2 CYS 27 -3.483 -1.318 2.639 194 2HB CYS 27 HB3 CYS 27 -2.612 -0.588 1.255 195 H ILE 28 HN ILE 28 -3.751 0.667 -0.638 196 HA ILE 28 HA ILE 28 -5.419 -1.281 -2.043 197 HB ILE 28 HB ILE 28 -4.149 1.363 -2.973 198 1HG1 ILE 28 HG1 ILE 28 -6.196 1.641 -1.489 199 2HG1 ILE 28 HG1 ILE 28 -6.320 2.283 -3.139 200 1HG2 ILE 28 HG2 ILE 28 -5.740 -0.785 -4.505 201 2HG2 ILE 28 HG2 ILE 28 -5.432 0.889 -5.106 202 3HG2 ILE 28 HG2 ILE 28 -4.053 -0.221 -4.813 203 1HD1 ILE 28 HD1 ILE 28 -7.540 -0.407 -2.262 204 2HD1 ILE 28 HD1 ILE 28 -8.408 1.170 -2.357 205 3HD1 ILE 28 HD1 ILE 28 -7.749 0.428 -3.859 206 H CYS 29 HN CYS 29 -4.105 -2.810 -3.307 207 HA CYS 29 HA CYS 29 -1.184 -2.523 -3.082 208 1HB CYS 29 HB2 CYS 29 -2.967 -5.015 -2.689 209 2HB CYS 29 HB3 CYS 29 -1.197 -5.048 -2.942 210 H GLU 30 HN GLU 30 -0.467 -2.135 -5.089 211 HA GLU 30 HA GLU 30 -1.639 -3.567 -7.395 212 1HB GLU 30 HB2 GLU 30 -0.141 -0.879 -7.413 213 2HB GLU 30 HB3 GLU 30 -0.856 -1.715 -8.832 214 1HG GLU 30 HG2 GLU 30 -2.409 -0.500 -6.457 215 2HG GLU 30 HG3 GLU 30 -2.215 0.205 -8.100 216 H SER 31 HN SER 31 0.501 -3.096 -9.143 217 HA SER 31 HA SER 31 2.607 -4.780 -8.035 218 1HB SER 31 HB2 SER 31 3.461 -4.838 -10.391 219 2HB SER 31 HB3 SER 31 1.808 -5.517 -10.174 220 HG SER 31 HG SER 31 0.993 -3.504 -10.868 No H/Q in entry = 220 Start of MODEL 4 1 1H CYS 1 HT2 CYS 1 -2.843 2.971 8.710 2 2H CYS 1 HT1 CYS 1 -4.041 3.701 7.752 3 3H CYS 1 HT3 CYS 1 -3.321 2.247 7.249 4 HA CYS 1 HA CYS 1 -1.228 3.304 7.027 5 1HB CYS 1 HB2 CYS 1 -1.678 4.537 4.948 6 2HB CYS 1 HB3 CYS 1 -2.793 3.164 5.086 7 H THR 2 HN THR 2 -0.272 5.692 6.399 8 HA THR 2 HA THR 2 -1.231 7.743 8.235 9 HB THR 2 HB THR 2 1.135 8.665 7.813 10 HG1 THR 2 HG1 THR 2 2.681 7.069 7.521 11 1HG2 THR 2 HG2 THR 2 0.281 7.779 10.008 12 2HG2 THR 2 HG2 THR 2 0.765 6.112 9.522 13 3HG2 THR 2 HG2 THR 2 2.021 7.384 9.762 14 H THR 3 HN THR 3 0.302 6.974 5.056 15 HA THR 3 HA THR 3 -1.412 8.902 3.681 16 HB THR 3 HB THR 3 0.622 9.673 2.326 17 HG1 THR 3 HG1 THR 3 2.017 8.001 3.054 18 1HG2 THR 3 HG2 THR 3 -0.460 11.084 4.091 19 2HG2 THR 3 HG2 THR 3 0.700 10.431 5.308 20 3HG2 THR 3 HG2 THR 3 1.307 11.381 3.907 21 H SER 4 HN SER 4 -0.333 8.526 1.199 22 HA SER 4 HA SER 4 -1.023 6.034 0.169 23 1HB SER 4 HB2 SER 4 -0.094 6.971 -1.968 24 2HB SER 4 HB3 SER 4 -1.300 8.004 -1.138 25 HG SER 4 HG SER 4 1.512 8.309 -0.993 26 H LYS 5 HN LYS 5 2.022 7.253 1.441 27 HA LYS 5 HA LYS 5 3.731 5.386 0.104 28 1HB LYS 5 HB2 LYS 5 4.368 7.450 2.280 29 2HB LYS 5 HB3 LYS 5 5.551 6.569 1.239 30 1HG LYS 5 HG2 LYS 5 4.539 7.689 -0.783 31 2HG LYS 5 HG3 LYS 5 3.413 8.580 0.297 32 1HD LYS 5 HD2 LYS 5 5.199 10.067 -0.274 33 2HD LYS 5 HD3 LYS 5 5.373 9.633 1.464 34 1HE LYS 5 HE2 LYS 5 7.229 8.021 0.867 35 2HE LYS 5 HE3 LYS 5 7.008 8.428 -0.884 36 1HZ LYS 5 HZ1 LYS 5 7.578 10.700 -0.369 37 2HZ LYS 5 HZ2 LYS 5 7.782 10.320 1.274 38 3HZ LYS 5 HZ3 LYS 5 8.810 9.634 0.108 39 H GLU 6 HN GLU 6 1.669 4.929 2.646 40 HA GLU 6 HA GLU 6 3.422 3.165 4.203 41 1HB GLU 6 HB2 GLU 6 2.155 5.035 5.352 42 2HB GLU 6 HB3 GLU 6 0.625 4.265 4.868 43 1HG GLU 6 HG2 GLU 6 1.200 3.769 7.231 44 2HG GLU 6 HG3 GLU 6 1.201 2.248 6.278 45 H CYS 7 HN CYS 7 1.276 3.225 1.595 46 HA CYS 7 HA CYS 7 0.310 0.482 1.961 47 1HB CYS 7 HB2 CYS 7 -0.495 2.611 -0.090 48 2HB CYS 7 HB3 CYS 7 -1.197 0.974 0.032 49 H TRP 8 HN TRP 8 3.097 1.798 1.089 50 HA TRP 8 HA TRP 8 3.617 0.381 -1.419 51 1HB TRP 8 HB2 TRP 8 5.347 2.282 0.237 52 2HB TRP 8 HB3 TRP 8 5.841 1.503 -1.305 53 HD1 TRP 8 HD1 TRP 8 2.313 2.769 -1.836 54 HE1 TRP 8 HE1 TRP 8 2.367 5.133 -2.747 55 HE3 TRP 8 HE3 TRP 8 7.261 3.616 -1.260 56 HZ2 TRP 8 HZ2 TRP 8 4.414 7.014 -3.587 57 HZ3 TRP 8 HZ3 TRP 8 8.261 5.720 -2.164 58 HH2 TRP 8 HH2 TRP 8 6.847 7.385 -3.314 59 H SER 9 HN SER 9 3.936 0.214 2.041 60 HA SER 9 HA SER 9 5.588 -2.223 1.940 61 1HB SER 9 HB2 SER 9 6.596 -1.467 4.145 62 2HB SER 9 HB3 SER 9 7.089 -0.519 2.703 63 HG SER 9 HG SER 9 6.587 0.778 4.467 64 H VAL 10 HN VAL 10 3.125 -2.932 1.660 65 HA VAL 10 HA VAL 10 2.060 -3.475 4.312 66 HB VAL 10 HB VAL 10 1.023 -1.380 3.359 67 1HG1 VAL 10 HG1 VAL 10 0.746 -2.140 0.957 68 2HG1 VAL 10 HG1 VAL 10 -0.571 -3.233 1.527 69 3HG1 VAL 10 HG1 VAL 10 -0.735 -1.464 1.718 70 1HG2 VAL 10 HG2 VAL 10 0.094 -2.738 5.246 71 2HG2 VAL 10 HG2 VAL 10 -1.217 -2.018 4.240 72 3HG2 VAL 10 HG2 VAL 10 -0.813 -3.765 4.071 73 H CYS 11 HN CYS 11 1.669 -3.918 0.821 74 HA CYS 11 HA CYS 11 1.154 -6.814 1.138 75 1HB CYS 11 HB2 CYS 11 0.663 -4.903 -1.212 76 2HB CYS 11 HB3 CYS 11 0.394 -6.674 -1.285 77 H GLN 12 HN GLN 12 3.766 -4.863 0.852 78 HA GLN 12 HA GLN 12 5.307 -6.476 -1.049 79 1HB GLN 12 HB2 GLN 12 5.436 -3.981 -1.109 80 2HB GLN 12 HB3 GLN 12 5.925 -3.950 0.612 81 1HG GLN 12 HG2 GLN 12 8.057 -5.174 0.009 82 2HG GLN 12 HG3 GLN 12 7.532 -5.209 -1.717 83 1HE2 GLN 12 HE2 GLN 12 8.367 -3.038 1.053 84 2HE2 GLN 12 HE2 GLN 12 8.802 -1.657 0.101 85 H ARG 13 HN ARG 13 4.764 -5.732 2.348 86 HA ARG 13 HA ARG 13 6.934 -7.316 3.397 87 1HB ARG 13 HB2 ARG 13 4.716 -5.706 4.782 88 2HB ARG 13 HB3 ARG 13 6.172 -6.405 5.590 89 1HG ARG 13 HG2 ARG 13 6.167 -4.163 3.461 90 2HG ARG 13 HG3 ARG 13 6.231 -3.964 5.236 91 1HD ARG 13 HD2 ARG 13 8.463 -3.661 4.542 92 2HD ARG 13 HD3 ARG 13 8.429 -5.346 5.226 93 HE ARG 13 HE ARG 13 7.893 -5.482 2.394 94 1HH1 ARG 13 HH1 ARG 13 10.591 -4.638 4.582 95 2HH1 ARG 13 HH1 ARG 13 11.822 -5.114 3.459 96 1HH2 ARG 13 HH2 ARG 13 9.563 -6.110 0.904 97 2HH2 ARG 13 HH2 ARG 13 11.231 -5.961 1.346 98 H LEU 14 HN LEU 14 3.665 -7.885 2.431 99 HA LEU 14 HA LEU 14 3.420 -10.259 4.173 100 1HB LEU 14 HB2 LEU 14 1.254 -8.620 2.746 101 2HB LEU 14 HB3 LEU 14 0.960 -10.203 3.550 102 HG LEU 14 HG LEU 14 1.970 -7.672 4.960 103 1HD1 LEU 14 HD1 LEU 14 -0.370 -7.434 4.116 104 2HD1 LEU 14 HD1 LEU 14 -0.834 -8.961 4.954 105 3HD1 LEU 14 HD1 LEU 14 -0.318 -7.524 5.916 106 1HD2 LEU 14 HD2 LEU 14 1.073 -10.388 6.120 107 2HD2 LEU 14 HD2 LEU 14 2.742 -9.700 6.162 108 3HD2 LEU 14 HD2 LEU 14 1.418 -8.898 7.076 109 H HIS 15 HN HIS 15 2.767 -9.018 0.805 110 HA HIS 15 HA HIS 15 2.883 -11.785 -0.163 111 1HB HIS 15 HB2 HIS 15 1.620 -9.404 -1.596 112 2HB HIS 15 HB3 HIS 15 1.473 -11.169 -1.963 113 HD1 HIS 15 HD1 HIS 15 0.498 -12.473 0.493 114 HD2 HIS 15 HD2 HIS 15 -0.652 -8.540 -0.408 115 HE1 HIS 15 HE1 HIS 15 -1.636 -11.948 1.797 116 H ASN 16 HN ASN 16 3.242 -9.508 -2.741 117 HA ASN 16 HA ASN 16 6.089 -9.443 -2.735 118 1HB ASN 16 HB2 ASN 16 5.404 -11.982 -3.217 119 2HB ASN 16 HB3 ASN 16 4.687 -11.379 -4.735 120 1HD2 ASN 16 HD2 ASN 16 8.871 -11.281 -4.125 121 2HD2 ASN 16 HD2 ASN 16 7.784 -11.048 -2.796 122 H THR 17 HN THR 17 4.131 -7.390 -2.976 123 HA THR 17 HA THR 17 4.157 -6.737 -5.831 124 HB THR 17 HB THR 17 1.999 -5.598 -5.451 125 HG1 THR 17 HG1 THR 17 0.834 -6.160 -3.635 126 1HG2 THR 17 HG2 THR 17 2.168 -7.935 -6.390 127 2HG2 THR 17 HG2 THR 17 2.014 -8.623 -4.740 128 3HG2 THR 17 HG2 THR 17 0.648 -7.682 -5.455 129 H SER 18 HN SER 18 3.423 -4.091 -5.527 130 HA SER 18 HA SER 18 5.874 -2.988 -4.275 131 1HB SER 18 HB2 SER 18 4.560 -2.300 -6.954 132 2HB SER 18 HB3 SER 18 5.949 -1.400 -6.208 133 HG SER 18 HG SER 18 7.088 -3.358 -6.227 134 H LYS 19 HN LYS 19 3.755 -0.956 -5.922 135 HA LYS 19 HA LYS 19 3.566 0.780 -3.679 136 1HB LYS 19 HB2 LYS 19 2.629 1.088 -6.584 137 2HB LYS 19 HB3 LYS 19 2.741 2.435 -5.389 138 1HG LYS 19 HG2 LYS 19 5.115 0.787 -6.425 139 2HG LYS 19 HG3 LYS 19 4.623 2.427 -6.958 140 1HD LYS 19 HD2 LYS 19 4.943 3.298 -4.640 141 2HD LYS 19 HD3 LYS 19 5.515 1.684 -4.095 142 1HE LYS 19 HE2 LYS 19 6.880 3.435 -6.251 143 2HE LYS 19 HE3 LYS 19 7.406 3.250 -4.527 144 1HZ LYS 19 HZ3 LYS 19 7.730 0.908 -4.928 145 2HZ LYS 19 HZ1 LYS 19 7.233 1.072 -6.544 146 3HZ LYS 19 HZ2 LYS 19 8.648 1.843 -6.009 147 H GLY 20 HN GLY 20 1.456 2.324 -3.953 148 1HA GLY 20 HA1 GLY 20 -1.076 1.145 -4.013 149 2HA GLY 20 HA2 GLY 20 -0.374 1.080 -2.351 150 H TRP 21 HN TRP 21 -2.610 2.580 -2.580 151 HA TRP 21 HA TRP 21 -1.536 5.033 -1.631 152 1HB TRP 21 HB2 TRP 21 -3.336 6.397 -2.757 153 2HB TRP 21 HB3 TRP 21 -1.986 5.892 -3.802 154 HD1 TRP 21 HD1 TRP 21 -5.807 5.333 -3.283 155 HE1 TRP 21 HE1 TRP 21 -6.765 4.020 -5.265 156 HE3 TRP 21 HE3 TRP 21 -1.436 4.368 -5.733 157 HZ2 TRP 21 HZ2 TRP 21 -5.780 2.776 -7.636 158 HZ3 TRP 21 HZ3 TRP 21 -1.499 3.102 -7.852 159 HH2 TRP 21 HH2 TRP 21 -3.639 2.312 -8.793 160 H CYS 22 HN CYS 22 -3.368 6.102 -0.326 161 HA CYS 22 HA CYS 22 -4.900 3.915 0.931 162 1HB CYS 22 HB2 CYS 22 -2.981 5.097 2.182 163 2HB CYS 22 HB3 CYS 22 -4.044 6.509 2.309 164 H ASP 23 HN ASP 23 -7.017 3.913 0.618 165 HA ASP 23 HA ASP 23 -8.530 6.408 0.316 166 1HB ASP 23 HB2 ASP 23 -8.981 3.453 -0.472 167 2HB ASP 23 HB3 ASP 23 -10.322 4.638 -0.471 168 H HIS 24 HN HIS 24 -10.873 5.831 1.473 169 HA HIS 24 HA HIS 24 -10.214 5.638 4.247 170 1HB HIS 24 HB2 HIS 24 -12.877 6.282 2.869 171 2HB HIS 24 HB3 HIS 24 -12.508 6.482 4.621 172 HD1 HIS 24 HD1 HIS 24 -11.524 8.008 1.242 173 HD2 HIS 24 HD2 HIS 24 -11.168 8.782 5.351 174 HE1 HIS 24 HE1 HIS 24 -10.606 10.375 1.530 175 H ARG 25 HN ARG 25 -10.543 3.147 2.301 176 HA ARG 25 HA ARG 25 -12.301 1.467 3.884 177 1HB ARG 25 HB2 ARG 25 -10.704 0.920 1.296 178 2HB ARG 25 HB3 ARG 25 -11.971 -0.142 2.013 179 1HG ARG 25 HG2 ARG 25 -12.440 2.705 0.868 180 2HG ARG 25 HG3 ARG 25 -12.569 1.175 -0.023 181 1HD ARG 25 HD2 ARG 25 -14.814 1.690 0.552 182 2HD ARG 25 HD3 ARG 25 -14.311 0.400 1.741 183 HE ARG 25 HE ARG 25 -13.754 3.009 2.857 184 1HH1 ARG 25 HH2 ARG 25 -16.565 0.964 2.024 185 2HH1 ARG 25 HH2 ARG 25 -17.588 1.649 3.244 186 1HH2 ARG 25 HH1 ARG 25 -15.141 3.912 4.480 187 2HH2 ARG 25 HH1 ARG 25 -16.769 3.346 4.656 188 H GLY 26 HN GLY 26 -8.984 1.866 2.661 189 1HA GLY 26 HA1 GLY 26 -7.466 1.069 4.765 190 2HA GLY 26 HA2 GLY 26 -7.863 -0.434 3.824 191 H CYS 27 HN CYS 27 -5.657 -0.585 3.202 192 HA CYS 27 HA CYS 27 -4.595 1.362 1.302 193 1HB CYS 27 HB2 CYS 27 -3.500 -1.219 2.532 194 2HB CYS 27 HB3 CYS 27 -2.694 -0.456 1.126 195 H ILE 28 HN ILE 28 -4.484 1.158 -0.793 196 HA ILE 28 HA ILE 28 -5.529 -1.091 -2.295 197 HB ILE 28 HB ILE 28 -4.286 1.571 -3.196 198 1HG1 ILE 28 HG1 ILE 28 -6.429 1.812 -1.868 199 2HG1 ILE 28 HG1 ILE 28 -6.474 2.395 -3.548 200 1HG2 ILE 28 HG2 ILE 28 -5.684 -0.676 -4.765 201 2HG2 ILE 28 HG2 ILE 28 -5.396 0.994 -5.389 202 3HG2 ILE 28 HG2 ILE 28 -4.000 -0.055 -4.972 203 1HD1 ILE 28 HD1 ILE 28 -7.663 -0.297 -2.638 204 2HD1 ILE 28 HD1 ILE 28 -8.572 1.239 -2.898 205 3HD1 ILE 28 HD1 ILE 28 -7.764 0.441 -4.291 206 H CYS 29 HN CYS 29 -4.110 -2.591 -3.383 207 HA CYS 29 HA CYS 29 -1.210 -2.241 -3.002 208 1HB CYS 29 HB2 CYS 29 -2.996 -4.740 -2.727 209 2HB CYS 29 HB3 CYS 29 -1.211 -4.776 -2.869 210 H GLU 30 HN GLU 30 -0.334 -1.879 -4.963 211 HA GLU 30 HA GLU 30 -1.402 -3.205 -7.371 212 1HB GLU 30 HB2 GLU 30 0.293 -0.643 -7.128 213 2HB GLU 30 HB3 GLU 30 -0.292 -1.379 -8.657 214 1HG GLU 30 HG2 GLU 30 -2.052 -0.151 -6.431 215 2HG GLU 30 HG3 GLU 30 -1.615 0.610 -8.002 216 H SER 31 HN SER 31 0.144 -4.161 -8.741 217 HA SER 31 HA SER 31 2.473 -5.269 -7.405 218 1HB SER 31 HB2 SER 31 1.325 -5.749 -10.216 219 2HB SER 31 HB3 SER 31 2.659 -6.685 -9.435 220 HG SER 31 HG SER 31 1.167 -7.240 -7.807 No H/Q in entry = 220 Start of MODEL 5 1 1H CYS 1 HT2 CYS 1 -3.683 3.233 8.666 2 2H CYS 1 HT1 CYS 1 -4.708 3.096 7.320 3 3H CYS 1 HT3 CYS 1 -3.342 2.094 7.451 4 HA CYS 1 HA CYS 1 -1.905 3.952 7.302 5 1HB CYS 1 HB2 CYS 1 -2.218 4.489 4.872 6 2HB CYS 1 HB3 CYS 1 -2.401 2.771 5.260 7 H THR 2 HN THR 2 -1.684 6.225 6.342 8 HA THR 2 HA THR 2 -3.854 8.042 6.930 9 HB THR 2 HB THR 2 -2.711 7.828 9.107 10 HG1 THR 2 HG1 THR 2 -2.295 10.004 9.392 11 1HG2 THR 2 HG2 THR 2 -0.406 7.218 8.285 12 2HG2 THR 2 HG2 THR 2 -0.172 8.910 7.704 13 3HG2 THR 2 HG2 THR 2 -0.398 8.581 9.456 14 H THR 3 HN THR 3 -0.772 7.090 5.510 15 HA THR 3 HA THR 3 -0.989 9.216 3.479 16 HB THR 3 HB THR 3 1.551 9.024 3.271 17 HG1 THR 3 HG1 THR 3 2.589 8.346 5.154 18 1HG2 THR 3 HG2 THR 3 0.378 10.970 4.316 19 2HG2 THR 3 HG2 THR 3 0.429 10.151 5.919 20 3HG2 THR 3 HG2 THR 3 1.961 10.624 5.099 21 H SER 4 HN SER 4 0.047 8.539 1.435 22 HA SER 4 HA SER 4 -0.844 6.066 0.439 23 1HB SER 4 HB2 SER 4 0.898 8.246 -0.826 24 2HB SER 4 HB3 SER 4 0.139 6.861 -1.708 25 HG SER 4 HG SER 4 -1.070 8.745 -1.809 26 H LYS 5 HN LYS 5 2.209 7.229 1.730 27 HA LYS 5 HA LYS 5 3.893 5.224 0.550 28 1HB LYS 5 HB2 LYS 5 4.500 7.438 2.579 29 2HB LYS 5 HB3 LYS 5 5.719 6.455 1.678 30 1HG LYS 5 HG2 LYS 5 4.868 7.362 -0.469 31 2HG LYS 5 HG3 LYS 5 3.685 8.391 0.401 32 1HD LYS 5 HD2 LYS 5 6.753 8.534 0.669 33 2HD LYS 5 HD3 LYS 5 5.733 9.628 -0.324 34 1HE LYS 5 HE2 LYS 5 5.640 9.388 2.766 35 2HE LYS 5 HE3 LYS 5 6.366 10.733 1.806 36 1HZ LYS 5 HZ1 LYS 5 4.191 11.205 0.911 37 2HZ LYS 5 HZ2 LYS 5 3.503 9.937 1.807 38 3HZ LYS 5 HZ3 LYS 5 4.185 11.270 2.608 39 H GLU 6 HN GLU 6 1.702 4.839 2.883 40 HA GLU 6 HA GLU 6 3.289 3.271 4.775 41 1HB GLU 6 HB2 GLU 6 1.504 5.044 5.418 42 2HB GLU 6 HB3 GLU 6 0.267 3.885 4.887 43 1HG GLU 6 HG2 GLU 6 2.430 3.412 7.071 44 2HG GLU 6 HG3 GLU 6 0.757 3.992 7.387 45 H CYS 7 HN CYS 7 1.236 3.189 1.962 46 HA CYS 7 HA CYS 7 0.534 0.368 2.169 47 1HB CYS 7 HB2 CYS 7 -0.355 2.539 0.194 48 2HB CYS 7 HB3 CYS 7 -1.025 0.883 0.290 49 H TRP 8 HN TRP 8 3.279 1.833 1.279 50 HA TRP 8 HA TRP 8 3.713 0.643 -1.354 51 1HB TRP 8 HB2 TRP 8 5.393 2.454 0.426 52 2HB TRP 8 HB3 TRP 8 5.992 1.763 -1.122 53 HD1 TRP 8 HD1 TRP 8 2.396 2.919 -1.600 54 HE1 TRP 8 HE1 TRP 8 2.388 5.245 -2.619 55 HE3 TRP 8 HE3 TRP 8 7.359 3.856 -1.244 56 HZ2 TRP 8 HZ2 TRP 8 4.362 7.151 -3.527 57 HZ3 TRP 8 HZ3 TRP 8 8.282 5.956 -2.221 58 HH2 TRP 8 HH2 TRP 8 6.796 7.573 -3.350 59 H SER 9 HN SER 9 4.197 0.008 2.027 60 HA SER 9 HA SER 9 5.684 -2.467 1.414 61 1HB SER 9 HB2 SER 9 7.254 -0.733 2.359 62 2HB SER 9 HB3 SER 9 6.243 -0.640 3.836 63 HG SER 9 HG SER 9 7.564 -2.927 2.762 64 H VAL 10 HN VAL 10 3.237 -3.173 1.316 65 HA VAL 10 HA VAL 10 2.308 -3.773 4.017 66 HB VAL 10 HB VAL 10 1.278 -1.659 3.147 67 1HG1 VAL 10 HG1 VAL 10 0.910 -2.337 0.757 68 2HG1 VAL 10 HG1 VAL 10 -0.402 -3.440 1.327 69 3HG1 VAL 10 HG1 VAL 10 -0.546 -1.672 1.577 70 1HG2 VAL 10 HG2 VAL 10 0.386 -3.038 5.041 71 2HG2 VAL 10 HG2 VAL 10 -0.942 -2.261 4.104 72 3HG2 VAL 10 HG2 VAL 10 -0.592 -4.013 3.879 73 H CYS 11 HN CYS 11 1.794 -4.217 0.539 74 HA CYS 11 HA CYS 11 1.248 -7.105 0.923 75 1HB CYS 11 HB2 CYS 11 0.753 -5.300 -1.500 76 2HB CYS 11 HB3 CYS 11 0.491 -7.067 -1.499 77 H GLN 12 HN GLN 12 3.954 -5.211 0.476 78 HA GLN 12 HA GLN 12 5.331 -7.401 -0.955 79 1HB GLN 12 HB2 GLN 12 7.044 -5.816 -1.696 80 2HB GLN 12 HB3 GLN 12 5.401 -5.441 -2.274 81 1HG GLN 12 HG2 GLN 12 5.676 -3.388 -1.802 82 2HG GLN 12 HG3 GLN 12 5.415 -3.806 -0.083 83 1HE2 GLN 12 HE2 GLN 12 8.954 -3.534 0.808 84 2HE2 GLN 12 HE2 GLN 12 7.479 -4.343 1.221 85 H ARG 13 HN ARG 13 4.491 -6.372 1.984 86 HA ARG 13 HA ARG 13 6.915 -7.262 3.350 87 1HB ARG 13 HB2 ARG 13 5.815 -5.118 4.008 88 2HB ARG 13 HB3 ARG 13 4.317 -5.986 4.427 89 1HG ARG 13 HG2 ARG 13 7.002 -6.727 5.741 90 2HG ARG 13 HG3 ARG 13 6.125 -5.235 6.223 91 1HD ARG 13 HD2 ARG 13 4.097 -6.551 6.837 92 2HD ARG 13 HD3 ARG 13 4.972 -8.092 6.433 93 HE ARG 13 HE ARG 13 6.593 -6.552 8.255 94 1HH1 ARG 13 HH1 ARG 13 3.537 -8.408 8.211 95 2HH1 ARG 13 HH1 ARG 13 3.617 -8.835 9.888 96 1HH2 ARG 13 HH2 ARG 13 6.679 -7.139 10.506 97 2HH2 ARG 13 HH2 ARG 13 5.424 -8.106 11.207 98 H LEU 14 HN LEU 14 3.603 -8.080 2.347 99 HA LEU 14 HA LEU 14 3.516 -10.569 3.877 100 1HB LEU 14 HB2 LEU 14 1.485 -8.741 2.572 101 2HB LEU 14 HB3 LEU 14 1.082 -10.483 2.658 102 HG LEU 14 HG LEU 14 1.250 -10.561 5.042 103 1HD1 LEU 14 HD1 LEU 14 1.944 -7.556 5.040 104 2HD1 LEU 14 HD1 LEU 14 1.447 -8.518 6.479 105 3HD1 LEU 14 HD1 LEU 14 2.974 -8.917 5.625 106 1HD2 LEU 14 HD2 LEU 14 -0.904 -9.954 3.953 107 2HD2 LEU 14 HD2 LEU 14 -0.754 -9.187 5.580 108 3HD2 LEU 14 HD2 LEU 14 -0.496 -8.202 4.090 109 H HIS 15 HN HIS 15 2.833 -9.394 0.482 110 HA HIS 15 HA HIS 15 3.032 -12.147 -0.439 111 1HB HIS 15 HB2 HIS 15 1.866 -9.768 -1.946 112 2HB HIS 15 HB3 HIS 15 1.751 -11.513 -2.354 113 HD1 HIS 15 HD1 HIS 15 0.718 -12.826 0.135 114 HD2 HIS 15 HD2 HIS 15 -0.515 -8.955 -0.922 115 HE1 HIS 15 HE1 HIS 15 -1.486 -12.335 1.329 116 H ASN 16 HN ASN 16 3.703 -9.302 -2.564 117 HA ASN 16 HA ASN 16 6.461 -10.117 -2.839 118 1HB ASN 16 HB2 ASN 16 6.384 -10.635 -5.252 119 2HB ASN 16 HB3 ASN 16 5.498 -11.821 -4.258 120 1HD2 ASN 16 HD2 ASN 16 2.218 -11.002 -5.571 121 2HD2 ASN 16 HD2 ASN 16 3.022 -11.499 -4.119 122 H THR 17 HN THR 17 3.940 -8.010 -4.483 123 HA THR 17 HA THR 17 5.920 -5.853 -4.447 124 HB THR 17 HB THR 17 5.207 -5.196 -6.750 125 HG1 THR 17 HG1 THR 17 4.454 -6.868 -8.060 126 1HG2 THR 17 HG2 THR 17 7.426 -6.237 -6.228 127 2HG2 THR 17 HG2 THR 17 6.732 -7.873 -6.539 128 3HG2 THR 17 HG2 THR 17 6.825 -6.665 -7.871 129 H SER 18 HN SER 18 5.131 -3.940 -3.981 130 HA SER 18 HA SER 18 2.321 -3.431 -4.077 131 1HB SER 18 HB2 SER 18 2.737 -4.357 -1.775 132 2HB SER 18 HB3 SER 18 3.606 -2.839 -1.393 133 HG SER 18 HG SER 18 0.941 -3.136 -2.339 134 H LYS 19 HN LYS 19 1.998 -1.479 -5.028 135 HA LYS 19 HA LYS 19 3.516 0.788 -4.041 136 1HB LYS 19 HB2 LYS 19 4.324 -0.061 -6.401 137 2HB LYS 19 HB3 LYS 19 2.786 0.558 -7.027 138 1HG LYS 19 HG2 LYS 19 5.009 2.117 -5.519 139 2HG LYS 19 HG3 LYS 19 4.713 2.140 -7.291 140 1HD LYS 19 HD2 LYS 19 2.486 3.247 -6.885 141 2HD LYS 19 HD3 LYS 19 2.853 3.290 -5.120 142 1HE LYS 19 HE2 LYS 19 4.883 4.703 -5.562 143 2HE LYS 19 HE3 LYS 19 4.484 4.709 -7.330 144 1HZ LYS 19 HZ2 LYS 19 2.385 5.748 -6.786 145 2HZ LYS 19 HZ3 LYS 19 2.767 5.743 -5.131 146 3HZ LYS 19 HZ1 LYS 19 3.694 6.667 -6.215 147 H GLY 20 HN GLY 20 1.770 1.175 -2.679 148 1HA GLY 20 HA1 GLY 20 -0.972 1.026 -3.724 149 2HA GLY 20 HA2 GLY 20 -0.351 0.945 -2.057 150 H TRP 21 HN TRP 21 -2.471 2.462 -2.231 151 HA TRP 21 HA TRP 21 -1.368 4.905 -1.298 152 1HB TRP 21 HB2 TRP 21 -3.134 6.293 -2.435 153 2HB TRP 21 HB3 TRP 21 -1.810 5.742 -3.489 154 HD1 TRP 21 HD1 TRP 21 -5.636 5.274 -2.930 155 HE1 TRP 21 HE1 TRP 21 -6.637 4.003 -4.918 156 HE3 TRP 21 HE3 TRP 21 -1.301 4.209 -5.412 157 HZ2 TRP 21 HZ2 TRP 21 -5.699 2.752 -7.301 158 HZ3 TRP 21 HZ3 TRP 21 -1.411 2.957 -7.536 159 HH2 TRP 21 HH2 TRP 21 -3.578 2.242 -8.476 160 H CYS 22 HN CYS 22 -3.200 6.052 -0.106 161 HA CYS 22 HA CYS 22 -4.816 4.051 1.341 162 1HB CYS 22 HB2 CYS 22 -2.934 5.253 2.520 163 2HB CYS 22 HB3 CYS 22 -3.694 6.814 2.169 164 H ASP 23 HN ASP 23 -7.036 4.197 0.904 165 HA ASP 23 HA ASP 23 -8.084 6.634 -0.336 166 1HB ASP 23 HB2 ASP 23 -8.785 3.672 -0.394 167 2HB ASP 23 HB3 ASP 23 -10.115 4.870 -0.651 168 H HIS 24 HN HIS 24 -9.838 4.237 1.696 169 HA HIS 24 HA HIS 24 -10.569 6.380 3.564 170 1HB HIS 24 HB2 HIS 24 -12.589 4.701 1.944 171 2HB HIS 24 HB3 HIS 24 -12.999 5.864 3.255 172 HD1 HIS 24 HD1 HIS 24 -12.165 8.472 2.660 173 HD2 HIS 24 HD2 HIS 24 -12.574 5.835 -0.582 174 HE1 HIS 24 HE1 HIS 24 -12.309 9.854 0.516 175 H ARG 25 HN ARG 25 -10.923 2.964 2.543 176 HA ARG 25 HA ARG 25 -11.669 2.096 5.150 177 1HB ARG 25 HB2 ARG 25 -11.399 0.585 2.500 178 2HB ARG 25 HB3 ARG 25 -12.139 -0.063 4.015 179 1HG ARG 25 HG2 ARG 25 -13.891 1.693 3.922 180 2HG ARG 25 HG3 ARG 25 -13.140 2.383 2.440 181 1HD ARG 25 HD2 ARG 25 -13.562 0.195 1.214 182 2HD ARG 25 HD3 ARG 25 -14.369 -0.440 2.698 183 HE ARG 25 HE ARG 25 -16.241 0.917 2.298 184 1HH1 ARG 25 HH1 ARG 25 -13.622 1.958 0.089 185 2HH1 ARG 25 HH1 ARG 25 -14.651 2.999 -0.839 186 1HH2 ARG 25 HH2 ARG 25 -17.585 2.318 1.039 187 2HH2 ARG 25 HH2 ARG 25 -16.923 3.205 -0.293 188 H GLY 26 HN GLY 26 -8.766 2.070 3.084 189 1HA GLY 26 HA1 GLY 26 -6.991 1.338 5.009 190 2HA GLY 26 HA2 GLY 26 -7.540 -0.199 4.214 191 H CYS 27 HN CYS 27 -5.441 -0.471 3.411 192 HA CYS 27 HA CYS 27 -4.351 1.361 1.456 193 1HB CYS 27 HB2 CYS 27 -3.438 -1.321 2.654 194 2HB CYS 27 HB3 CYS 27 -2.561 -0.581 1.282 195 H ILE 28 HN ILE 28 -3.670 0.695 -0.599 196 HA ILE 28 HA ILE 28 -5.333 -1.224 -2.049 197 HB ILE 28 HB ILE 28 -4.048 1.433 -2.921 198 1HG1 ILE 28 HG1 ILE 28 -6.122 1.679 -1.476 199 2HG1 ILE 28 HG1 ILE 28 -6.224 2.343 -3.119 200 1HG2 ILE 28 HG2 ILE 28 -5.591 -0.694 -4.528 201 2HG2 ILE 28 HG2 ILE 28 -5.290 0.996 -5.087 202 3HG2 ILE 28 HG2 ILE 28 -3.904 -0.106 -4.791 203 1HD1 ILE 28 HD1 ILE 28 -7.442 -0.366 -2.297 204 2HD1 ILE 28 HD1 ILE 28 -8.318 1.205 -2.393 205 3HD1 ILE 28 HD1 ILE 28 -7.623 0.483 -3.888 206 H CYS 29 HN CYS 29 -4.026 -2.697 -3.396 207 HA CYS 29 HA CYS 29 -1.107 -2.456 -3.141 208 1HB CYS 29 HB2 CYS 29 -2.916 -4.946 -2.839 209 2HB CYS 29 HB3 CYS 29 -1.143 -4.983 -3.068 210 H GLU 30 HN GLU 30 -0.347 -2.079 -5.146 211 HA GLU 30 HA GLU 30 -1.635 -3.358 -7.482 212 1HB GLU 30 HB2 GLU 30 0.137 -0.846 -7.418 213 2HB GLU 30 HB3 GLU 30 -0.616 -1.582 -8.870 214 1HG GLU 30 HG2 GLU 30 -2.112 -0.279 -6.498 215 2HG GLU 30 HG3 GLU 30 -1.811 0.451 -8.115 216 H SER 31 HN SER 31 -0.224 -4.325 -9.012 217 HA SER 31 HA SER 31 2.134 -5.513 -7.864 218 1HB SER 31 HB2 SER 31 0.490 -6.844 -9.217 219 2HB SER 31 HB3 SER 31 0.904 -5.850 -10.659 220 HG SER 31 HG SER 31 3.072 -6.566 -10.353 No H/Q in entry = 220 Start of MODEL 6 1 1H CYS 1 HT2 CYS 1 -3.599 4.745 8.564 2 2H CYS 1 HT1 CYS 1 -4.663 4.286 7.322 3 3H CYS 1 HT3 CYS 1 -3.285 3.348 7.649 4 HA CYS 1 HA CYS 1 -1.872 5.121 7.016 5 1HB CYS 1 HB2 CYS 1 -2.266 5.066 4.540 6 2HB CYS 1 HB3 CYS 1 -2.393 3.482 5.329 7 H THR 2 HN THR 2 -1.464 7.288 6.217 8 HA THR 2 HA THR 2 -3.649 9.172 6.629 9 HB THR 2 HB THR 2 -1.680 10.717 7.153 10 HG1 THR 2 HG1 THR 2 0.125 9.663 7.954 11 1HG2 THR 2 HG2 THR 2 -3.294 9.798 8.847 12 2HG2 THR 2 HG2 THR 2 -2.253 8.338 9.043 13 3HG2 THR 2 HG2 THR 2 -1.630 9.961 9.516 14 H THR 3 HN THR 3 -0.902 8.173 4.512 15 HA THR 3 HA THR 3 -1.641 10.309 2.606 16 HB THR 3 HB THR 3 0.817 10.372 1.984 17 HG1 THR 3 HG1 THR 3 1.422 8.507 3.164 18 1HG2 THR 3 HG2 THR 3 -0.412 12.156 3.248 19 2HG2 THR 3 HG2 THR 3 -0.016 11.331 4.802 20 3HG2 THR 3 HG2 THR 3 1.304 11.998 3.771 21 H SER 4 HN SER 4 0.507 7.416 2.508 22 HA SER 4 HA SER 4 -0.718 6.127 0.364 23 1HB SER 4 HB2 SER 4 -0.173 8.301 -0.897 24 2HB SER 4 HB3 SER 4 1.558 8.066 -0.504 25 HG SER 4 HG SER 4 -0.140 6.325 -1.990 26 H LYS 5 HN LYS 5 2.264 7.221 2.035 27 HA LYS 5 HA LYS 5 3.957 5.152 1.299 28 1HB LYS 5 HB2 LYS 5 4.557 7.489 1.820 29 2HB LYS 5 HB3 LYS 5 4.130 7.241 3.539 30 1HG LYS 5 HG2 LYS 5 6.025 5.636 3.782 31 2HG LYS 5 HG3 LYS 5 6.347 5.729 2.014 32 1HD LYS 5 HD2 LYS 5 6.932 8.141 2.238 33 2HD LYS 5 HD3 LYS 5 6.492 8.098 3.979 34 1HE LYS 5 HE2 LYS 5 8.957 8.001 3.726 35 2HE LYS 5 HE3 LYS 5 8.346 6.445 4.419 36 1HZ LYS 5 HZ1 LYS 5 8.469 5.489 2.215 37 2HZ LYS 5 HZ2 LYS 5 9.049 6.950 1.573 38 3HZ LYS 5 HZ3 LYS 5 9.976 6.096 2.713 39 H GLU 6 HN GLU 6 1.457 5.104 3.653 40 HA GLU 6 HA GLU 6 2.680 3.097 5.387 41 1HB GLU 6 HB2 GLU 6 -0.058 4.479 5.552 42 2HB GLU 6 HB3 GLU 6 0.601 3.294 6.732 43 1HG GLU 6 HG2 GLU 6 0.860 5.417 7.724 44 2HG GLU 6 HG3 GLU 6 2.509 4.888 7.229 45 H CYS 7 HN CYS 7 1.233 3.165 2.399 46 HA CYS 7 HA CYS 7 0.037 0.482 2.627 47 1HB CYS 7 HB2 CYS 7 -0.510 2.696 0.555 48 2HB CYS 7 HB3 CYS 7 -1.224 1.058 0.525 49 H TRP 8 HN TRP 8 2.901 1.750 2.250 50 HA TRP 8 HA TRP 8 3.730 0.077 -0.041 51 1HB TRP 8 HB2 TRP 8 5.377 2.151 1.495 52 2HB TRP 8 HB3 TRP 8 5.899 1.148 0.096 53 HD1 TRP 8 HD1 TRP 8 2.593 2.462 -1.071 54 HE1 TRP 8 HE1 TRP 8 2.842 4.782 -2.056 55 HE3 TRP 8 HE3 TRP 8 7.325 3.325 0.450 56 HZ2 TRP 8 HZ2 TRP 8 4.996 6.697 -2.436 57 HZ3 TRP 8 HZ3 TRP 8 8.499 5.421 -0.287 58 HH2 TRP 8 HH2 TRP 8 7.332 7.076 -1.698 59 H SER 9 HN SER 9 4.881 -1.765 0.535 60 HA SER 9 HA SER 9 5.774 -3.381 1.664 61 1HB SER 9 HB2 SER 9 6.419 -1.367 3.871 62 2HB SER 9 HB3 SER 9 6.988 -3.086 3.853 63 HG SER 9 HG SER 9 8.456 -1.620 2.994 64 H VAL 10 HN VAL 10 3.143 -3.428 1.477 65 HA VAL 10 HA VAL 10 2.080 -4.327 4.068 66 HB VAL 10 HB VAL 10 1.285 -2.097 3.309 67 1HG1 VAL 10 HG1 VAL 10 1.216 -2.438 0.837 68 2HG1 VAL 10 HG1 VAL 10 -0.224 -3.500 1.043 69 3HG1 VAL 10 HG1 VAL 10 -0.317 -1.783 1.522 70 1HG2 VAL 10 HG2 VAL 10 -0.005 -3.563 4.888 71 2HG2 VAL 10 HG2 VAL 10 -1.094 -2.545 3.872 72 3HG2 VAL 10 HG2 VAL 10 -0.891 -4.291 3.492 73 H CYS 11 HN CYS 11 1.814 -4.486 0.573 74 HA CYS 11 HA CYS 11 1.075 -7.358 0.597 75 1HB CYS 11 HB2 CYS 11 0.514 -5.091 -1.369 76 2HB CYS 11 HB3 CYS 11 0.235 -6.801 -1.802 77 H GLN 12 HN GLN 12 3.674 -5.361 0.359 78 HA GLN 12 HA GLN 12 5.073 -6.700 -1.862 79 1HB GLN 12 HB2 GLN 12 4.825 -4.114 -1.648 80 2HB GLN 12 HB3 GLN 12 5.808 -4.222 -0.162 81 1HG GLN 12 HG2 GLN 12 7.534 -5.449 -1.830 82 2HG GLN 12 HG3 GLN 12 6.458 -4.677 -3.100 83 1HE2 GLN 12 HE2 GLN 12 8.616 -2.179 -0.488 84 2HE2 GLN 12 HE2 GLN 12 7.998 -3.694 0.080 85 H ARG 13 HN ARG 13 5.113 -5.950 1.564 86 HA ARG 13 HA ARG 13 7.282 -7.638 2.325 87 1HB ARG 13 HB2 ARG 13 6.599 -5.494 3.436 88 2HB ARG 13 HB3 ARG 13 5.093 -6.269 4.006 89 1HG ARG 13 HG2 ARG 13 6.479 -7.860 5.391 90 2HG ARG 13 HG3 ARG 13 7.978 -7.139 4.698 91 1HD ARG 13 HD2 ARG 13 7.335 -4.894 5.730 92 2HD ARG 13 HD3 ARG 13 5.866 -5.673 6.426 93 HE ARG 13 HE ARG 13 7.169 -6.830 8.010 94 1HH1 ARG 13 HH1 ARG 13 9.356 -5.187 5.701 95 2HH1 ARG 13 HH1 ARG 13 10.771 -5.446 6.667 96 1HH2 ARG 13 HH2 ARG 13 9.078 -7.161 9.276 97 2HH2 ARG 13 HH2 ARG 13 10.612 -6.579 8.717 98 H LEU 14 HN LEU 14 3.857 -8.118 1.695 99 HA LEU 14 HA LEU 14 3.649 -10.559 3.274 100 1HB LEU 14 HB2 LEU 14 1.821 -8.857 3.335 101 2HB LEU 14 HB3 LEU 14 1.555 -9.086 1.582 102 HG LEU 14 HG LEU 14 0.892 -11.473 2.006 103 1HD1 LEU 14 HD1 LEU 14 1.162 -10.742 4.996 104 2HD1 LEU 14 HD1 LEU 14 0.381 -12.229 4.339 105 3HD1 LEU 14 HD1 LEU 14 2.144 -11.965 4.103 106 1HD2 LEU 14 HD2 LEU 14 -0.793 -9.650 1.866 107 2HD2 LEU 14 HD2 LEU 14 -1.314 -10.955 2.998 108 3HD2 LEU 14 HD2 LEU 14 -0.679 -9.395 3.648 109 H HIS 15 HN HIS 15 3.275 -9.426 -0.170 110 HA HIS 15 HA HIS 15 3.420 -12.196 -1.109 111 1HB HIS 15 HB2 HIS 15 2.547 -9.734 -2.696 112 2HB HIS 15 HB3 HIS 15 2.472 -11.457 -3.187 113 HD1 HIS 15 HD1 HIS 15 1.022 -12.898 -1.073 114 HD2 HIS 15 HD2 HIS 15 0.051 -8.886 -1.855 115 HE1 HIS 15 HE1 HIS 15 -1.321 -12.442 -0.161 116 H ASN 16 HN ASN 16 4.463 -9.281 -2.976 117 HA ASN 16 HA ASN 16 7.161 -9.626 -2.395 118 1HB ASN 16 HB2 ASN 16 8.085 -10.456 -4.605 119 2HB ASN 16 HB3 ASN 16 7.184 -11.708 -3.722 120 1HD2 ASN 16 HD2 ASN 16 4.500 -12.003 -6.111 121 2HD2 ASN 16 HD2 ASN 16 4.892 -12.175 -4.432 122 H THR 17 HN THR 17 4.979 -8.422 -5.033 123 HA THR 17 HA THR 17 6.556 -5.935 -4.955 124 HB THR 17 HB THR 17 5.900 -5.583 -7.326 125 HG1 THR 17 HG1 THR 17 4.312 -7.230 -7.438 126 1HG2 THR 17 HG2 THR 17 8.194 -6.265 -6.601 127 2HG2 THR 17 HG2 THR 17 7.736 -8.004 -6.738 128 3HG2 THR 17 HG2 THR 17 7.766 -6.960 -8.206 129 H SER 18 HN SER 18 5.491 -4.260 -4.378 130 HA SER 18 HA SER 18 2.989 -3.738 -5.200 131 1HB SER 18 HB2 SER 18 2.262 -5.281 -3.299 132 2HB SER 18 HB3 SER 18 2.886 -4.052 -2.155 133 HG SER 18 HG SER 18 0.873 -3.707 -4.121 134 H LYS 19 HN LYS 19 2.463 -1.727 -5.341 135 HA LYS 19 HA LYS 19 3.614 0.271 -3.527 136 1HB LYS 19 HB2 LYS 19 2.758 0.545 -6.478 137 2HB LYS 19 HB3 LYS 19 3.077 1.963 -5.415 138 1HG LYS 19 HG2 LYS 19 5.249 -0.144 -5.963 139 2HG LYS 19 HG3 LYS 19 4.865 1.176 -7.110 140 1HD LYS 19 HD2 LYS 19 6.730 1.891 -5.856 141 2HD LYS 19 HD3 LYS 19 5.324 2.894 -5.359 142 1HE LYS 19 HE2 LYS 19 5.163 1.647 -3.202 143 2HE LYS 19 HE3 LYS 19 6.465 0.505 -3.740 144 1HZ LYS 19 HZ1 LYS 19 7.971 2.373 -3.831 145 2HZ LYS 19 HZ2 LYS 19 6.744 3.436 -3.331 146 3HZ LYS 19 HZ3 LYS 19 7.283 2.211 -2.286 147 H GLY 20 HN GLY 20 1.892 1.954 -3.031 148 1HA GLY 20 HA1 GLY 20 -0.862 1.047 -3.431 149 2HA GLY 20 HA2 GLY 20 -0.131 0.944 -1.793 150 H TRP 21 HN TRP 21 -2.392 2.532 -2.378 151 HA TRP 21 HA TRP 21 -1.341 4.977 -1.288 152 1HB TRP 21 HB2 TRP 21 -2.989 6.350 -2.543 153 2HB TRP 21 HB3 TRP 21 -1.668 5.712 -3.551 154 HD1 TRP 21 HD1 TRP 21 -5.507 5.315 -2.990 155 HE1 TRP 21 HE1 TRP 21 -6.530 4.092 -5.000 156 HE3 TRP 21 HE3 TRP 21 -1.189 4.213 -5.468 157 HZ2 TRP 21 HZ2 TRP 21 -5.605 2.851 -7.389 158 HZ3 TRP 21 HZ3 TRP 21 -1.314 3.030 -7.638 159 HH2 TRP 21 HH2 TRP 21 -3.489 2.374 -8.595 160 H CYS 22 HN CYS 22 -3.374 6.158 -0.371 161 HA CYS 22 HA CYS 22 -4.811 4.153 1.246 162 1HB CYS 22 HB2 CYS 22 -3.044 5.688 2.274 163 2HB CYS 22 HB3 CYS 22 -4.002 7.093 1.779 164 H ASP 23 HN ASP 23 -7.021 4.069 0.952 165 HA ASP 23 HA ASP 23 -8.472 6.292 -0.291 166 1HB ASP 23 HB2 ASP 23 -8.920 3.274 0.021 167 2HB ASP 23 HB3 ASP 23 -10.319 4.365 -0.267 168 H HIS 24 HN HIS 24 -7.614 5.021 2.742 169 HA HIS 24 HA HIS 24 -7.977 5.553 4.721 170 1HB HIS 24 HB2 HIS 24 -10.026 7.609 3.815 171 2HB HIS 24 HB3 HIS 24 -9.462 7.411 5.513 172 HD1 HIS 24 HD1 HIS 24 -7.945 8.350 2.097 173 HD2 HIS 24 HD2 HIS 24 -7.117 8.590 6.203 174 HE1 HIS 24 HE1 HIS 24 -5.851 9.784 2.405 175 H ARG 25 HN ARG 25 -9.860 3.699 3.070 176 HA ARG 25 HA ARG 25 -11.594 2.812 5.246 177 1HB ARG 25 HB2 ARG 25 -11.469 1.901 2.301 178 2HB ARG 25 HB3 ARG 25 -12.698 1.423 3.534 179 1HG ARG 25 HG2 ARG 25 -13.416 3.837 3.667 180 2HG ARG 25 HG3 ARG 25 -12.217 4.245 2.392 181 1HD ARG 25 HD2 ARG 25 -13.392 2.667 0.780 182 2HD ARG 25 HD3 ARG 25 -14.622 2.333 2.059 183 HE ARG 25 HE ARG 25 -15.573 4.459 1.752 184 1HH1 ARG 25 HH2 ARG 25 -12.490 4.338 -0.069 185 2HH1 ARG 25 HH2 ARG 25 -12.784 5.828 -0.903 186 1HH2 ARG 25 HH1 ARG 25 -15.930 6.445 0.622 187 2HH2 ARG 25 HH1 ARG 25 -14.756 7.036 -0.506 188 H GLY 26 HN GLY 26 -8.651 2.320 3.448 189 1HA GLY 26 HA1 GLY 26 -7.413 0.571 5.093 190 2HA GLY 26 HA2 GLY 26 -8.191 -0.404 3.762 191 H CYS 27 HN CYS 27 -5.896 -0.802 3.119 192 HA CYS 27 HA CYS 27 -4.717 1.385 1.525 193 1HB CYS 27 HB2 CYS 27 -3.642 -1.260 2.682 194 2HB CYS 27 HB3 CYS 27 -2.766 -0.400 1.376 195 H ILE 28 HN ILE 28 -3.846 0.746 -0.536 196 HA ILE 28 HA ILE 28 -5.494 -1.132 -2.080 197 HB ILE 28 HB ILE 28 -4.162 1.535 -2.849 198 1HG1 ILE 28 HG1 ILE 28 -6.290 1.732 -1.454 199 2HG1 ILE 28 HG1 ILE 28 -6.324 2.485 -3.066 200 1HG2 ILE 28 HG2 ILE 28 -5.700 -0.526 -4.551 201 2HG2 ILE 28 HG2 ILE 28 -5.307 1.160 -5.067 202 3HG2 ILE 28 HG2 ILE 28 -3.986 -0.005 -4.722 203 1HD1 ILE 28 HD1 ILE 28 -7.547 -0.287 -2.492 204 2HD1 ILE 28 HD1 ILE 28 -8.449 1.267 -2.449 205 3HD1 ILE 28 HD1 ILE 28 -7.708 0.713 -3.994 206 H CYS 29 HN CYS 29 -4.245 -2.687 -3.286 207 HA CYS 29 HA CYS 29 -1.322 -2.474 -3.106 208 1HB CYS 29 HB2 CYS 29 -3.107 -5.001 -2.889 209 2HB CYS 29 HB3 CYS 29 -1.336 -4.959 -3.031 210 H GLU 30 HN GLU 30 -0.492 -2.178 -5.059 211 HA GLU 30 HA GLU 30 -1.686 -3.304 -7.503 212 1HB GLU 30 HB2 GLU 30 0.314 -1.049 -6.930 213 2HB GLU 30 HB3 GLU 30 0.262 -1.804 -8.551 214 1HG GLU 30 HG2 GLU 30 -1.011 0.228 -8.600 215 2HG GLU 30 HG3 GLU 30 -2.055 -1.205 -8.915 216 H SER 31 HN SER 31 0.403 -3.810 -9.066 217 HA SER 31 HA SER 31 2.161 -5.701 -7.636 218 1HB SER 31 HB2 SER 31 0.742 -6.700 -9.451 219 2HB SER 31 HB3 SER 31 1.460 -5.542 -10.625 220 HG SER 31 HG SER 31 3.499 -6.445 -10.058 No H/Q in entry = 220 Start of MODEL 7 1 1H CYS 1 HT3 CYS 1 -4.261 3.698 8.594 2 2H CYS 1 HT2 CYS 1 -5.159 3.532 7.162 3 3H CYS 1 HT1 CYS 1 -3.843 2.501 7.464 4 HA CYS 1 HA CYS 1 -2.342 4.310 7.375 5 1HB CYS 1 HB2 CYS 1 -2.397 4.742 4.913 6 2HB CYS 1 HB3 CYS 1 -2.689 3.051 5.352 7 H THR 2 HN THR 2 -2.006 6.554 6.273 8 HA THR 2 HA THR 2 -4.201 8.401 6.589 9 HB THR 2 HB THR 2 -3.225 8.325 8.857 10 HG1 THR 2 HG1 THR 2 -2.693 10.712 7.450 11 1HG2 THR 2 HG2 THR 2 -0.862 7.706 8.239 12 2HG2 THR 2 HG2 THR 2 -0.601 9.366 7.585 13 3HG2 THR 2 HG2 THR 2 -0.954 9.131 9.331 14 H THR 3 HN THR 3 -1.029 7.372 5.440 15 HA THR 3 HA THR 3 -1.107 9.396 3.299 16 HB THR 3 HB THR 3 1.446 9.309 3.335 17 HG1 THR 3 HG1 THR 3 1.595 7.501 4.732 18 1HG2 THR 3 HG2 THR 3 0.101 11.259 4.134 19 2HG2 THR 3 HG2 THR 3 0.036 10.546 5.788 20 3HG2 THR 3 HG2 THR 3 1.617 11.035 5.079 21 H SER 4 HN SER 4 0.189 8.684 1.433 22 HA SER 4 HA SER 4 -0.577 6.204 0.399 23 1HB SER 4 HB2 SER 4 -0.385 8.387 -0.850 24 2HB SER 4 HB3 SER 4 1.400 8.304 -0.702 25 HG SER 4 HG SER 4 1.247 6.309 -1.861 26 H LYS 5 HN LYS 5 2.395 7.417 1.916 27 HA LYS 5 HA LYS 5 4.017 5.147 1.174 28 1HB LYS 5 HB2 LYS 5 5.887 6.358 2.143 29 2HB LYS 5 HB3 LYS 5 5.003 7.303 0.909 30 1HG LYS 5 HG2 LYS 5 3.745 8.507 2.695 31 2HG LYS 5 HG3 LYS 5 4.721 7.661 3.948 32 1HD LYS 5 HD2 LYS 5 5.832 9.513 1.742 33 2HD LYS 5 HD3 LYS 5 5.514 9.990 3.447 34 1HE LYS 5 HE2 LYS 5 7.218 8.309 4.243 35 2HE LYS 5 HE3 LYS 5 7.577 7.867 2.524 36 1HZ LYS 5 HZ2 LYS 5 7.896 10.556 3.746 37 2HZ LYS 5 HZ3 LYS 5 9.133 9.447 3.390 38 3HZ LYS 5 HZ1 LYS 5 8.226 10.142 2.132 39 H GLU 6 HN GLU 6 1.642 5.310 3.273 40 HA GLU 6 HA GLU 6 2.938 3.649 5.328 41 1HB GLU 6 HB2 GLU 6 1.836 5.808 6.073 42 2HB GLU 6 HB3 GLU 6 0.256 5.136 5.570 43 1HG GLU 6 HG2 GLU 6 0.496 3.301 7.266 44 2HG GLU 6 HG3 GLU 6 2.182 3.831 7.628 45 H CYS 7 HN CYS 7 1.645 3.487 2.383 46 HA CYS 7 HA CYS 7 0.435 0.843 2.799 47 1HB CYS 7 HB2 CYS 7 -0.305 2.938 0.664 48 2HB CYS 7 HB3 CYS 7 -0.876 1.245 0.645 49 H TRP 8 HN TRP 8 3.244 2.167 2.308 50 HA TRP 8 HA TRP 8 4.025 0.455 0.024 51 1HB TRP 8 HB2 TRP 8 5.676 2.609 1.409 52 2HB TRP 8 HB3 TRP 8 6.188 1.542 0.056 53 HD1 TRP 8 HD1 TRP 8 2.886 2.582 -1.223 54 HE1 TRP 8 HE1 TRP 8 2.924 4.941 -2.196 55 HE3 TRP 8 HE3 TRP 8 7.487 3.905 0.347 56 HZ2 TRP 8 HZ2 TRP 8 4.909 7.006 -2.626 57 HZ3 TRP 8 HZ3 TRP 8 8.461 6.109 -0.367 58 HH2 TRP 8 HH2 TRP 8 7.174 7.624 -1.833 59 H SER 9 HN SER 9 5.148 -1.356 0.544 60 HA SER 9 HA SER 9 5.968 -3.006 1.548 61 1HB SER 9 HB2 SER 9 7.533 -3.014 3.314 62 2HB SER 9 HB3 SER 9 7.767 -1.527 2.322 63 HG SER 9 HG SER 9 6.608 -0.404 3.933 64 H VAL 10 HN VAL 10 3.339 -2.941 1.525 65 HA VAL 10 HA VAL 10 2.331 -3.699 4.181 66 HB VAL 10 HB VAL 10 1.526 -1.596 3.194 67 1HG1 VAL 10 HG1 VAL 10 1.465 -2.182 0.769 68 2HG1 VAL 10 HG1 VAL 10 0.044 -3.242 1.078 69 3HG1 VAL 10 HG1 VAL 10 -0.079 -1.486 1.379 70 1HG2 VAL 10 HG2 VAL 10 0.263 -2.924 4.915 71 2HG2 VAL 10 HG2 VAL 10 -0.839 -2.008 3.821 72 3HG2 VAL 10 HG2 VAL 10 -0.628 -3.782 3.599 73 H CYS 11 HN CYS 11 2.116 -4.255 0.729 74 HA CYS 11 HA CYS 11 1.431 -7.127 1.093 75 1HB CYS 11 HB2 CYS 11 0.802 -5.197 -1.209 76 2HB CYS 11 HB3 CYS 11 0.540 -6.970 -1.307 77 H GLN 12 HN GLN 12 3.998 -5.052 0.488 78 HA GLN 12 HA GLN 12 5.360 -6.766 -1.475 79 1HB GLN 12 HB2 GLN 12 5.420 -4.397 -1.980 80 2HB GLN 12 HB3 GLN 12 5.823 -3.989 -0.294 81 1HG GLN 12 HG2 GLN 12 7.733 -3.581 -1.644 82 2HG GLN 12 HG3 GLN 12 8.119 -4.970 -0.574 83 1HE2 GLN 12 HE2 GLN 12 8.873 -5.288 -4.481 84 2HE2 GLN 12 HE2 GLN 12 8.791 -3.839 -3.533 85 H ARG 13 HN ARG 13 5.059 -6.000 1.890 86 HA ARG 13 HA ARG 13 7.388 -7.308 2.908 87 1HB ARG 13 HB2 ARG 13 6.318 -5.367 4.003 88 2HB ARG 13 HB3 ARG 13 4.768 -6.245 4.109 89 1HG ARG 13 HG2 ARG 13 5.944 -7.886 5.749 90 2HG ARG 13 HG3 ARG 13 7.386 -6.822 5.637 91 1HD ARG 13 HD2 ARG 13 6.039 -6.273 7.663 92 2HD ARG 13 HD3 ARG 13 5.980 -4.890 6.481 93 HE ARG 13 HE ARG 13 3.809 -6.964 6.286 94 1HH1 ARG 13 HH1 ARG 13 4.712 -3.741 7.549 95 2HH1 ARG 13 HH1 ARG 13 3.070 -3.210 7.713 96 1HH2 ARG 13 HH2 ARG 13 1.631 -6.227 6.508 97 2HH2 ARG 13 HH2 ARG 13 1.301 -4.638 7.116 98 H LEU 14 HN LEU 14 3.913 -8.065 2.363 99 HA LEU 14 HA LEU 14 4.111 -10.628 3.747 100 1HB LEU 14 HB2 LEU 14 1.668 -9.130 2.659 101 2HB LEU 14 HB3 LEU 14 1.636 -10.657 3.612 102 HG LEU 14 HG LEU 14 2.646 -7.921 4.586 103 1HD1 LEU 14 HD1 LEU 14 0.173 -8.025 4.258 104 2HD1 LEU 14 HD1 LEU 14 0.088 -9.486 5.309 105 3HD1 LEU 14 HD1 LEU 14 0.611 -7.905 6.002 106 1HD2 LEU 14 HD2 LEU 14 2.366 -10.568 6.147 107 2HD2 LEU 14 HD2 LEU 14 3.903 -9.703 5.761 108 3HD2 LEU 14 HD2 LEU 14 2.705 -8.949 6.867 109 H HIS 15 HN HIS 15 3.120 -9.297 0.503 110 HA HIS 15 HA HIS 15 3.093 -12.032 -0.564 111 1HB HIS 15 HB2 HIS 15 1.684 -9.590 -1.740 112 2HB HIS 15 HB3 HIS 15 1.541 -11.320 -2.226 113 HD1 HIS 15 HD1 HIS 15 0.811 -12.791 0.263 114 HD2 HIS 15 HD2 HIS 15 -0.522 -8.863 -0.375 115 HE1 HIS 15 HE1 HIS 15 -1.233 -12.391 1.744 116 H ASN 16 HN ASN 16 3.199 -9.458 -2.930 117 HA ASN 16 HA ASN 16 6.009 -9.610 -3.416 118 1HB ASN 16 HB2 ASN 16 5.011 -12.021 -3.967 119 2HB ASN 16 HB3 ASN 16 4.057 -11.217 -5.242 120 1HD2 ASN 16 HD2 ASN 16 6.767 -11.743 -7.520 121 2HD2 ASN 16 HD2 ASN 16 5.062 -11.676 -7.217 122 H THR 17 HN THR 17 4.440 -7.325 -3.195 123 HA THR 17 HA THR 17 3.512 -6.683 -5.931 124 HB THR 17 HB THR 17 1.826 -5.362 -5.112 125 HG1 THR 17 HG1 THR 17 2.906 -4.490 -3.319 126 1HG2 THR 17 HG2 THR 17 1.622 -7.956 -5.084 127 2HG2 THR 17 HG2 THR 17 1.927 -7.909 -3.333 128 3HG2 THR 17 HG2 THR 17 0.471 -7.080 -3.994 129 H SER 18 HN SER 18 3.242 -3.869 -5.197 130 HA SER 18 HA SER 18 5.991 -2.929 -4.965 131 1HB SER 18 HB2 SER 18 5.692 -3.521 -7.409 132 2HB SER 18 HB3 SER 18 4.321 -2.381 -7.509 133 HG SER 18 HG SER 18 6.307 -1.521 -8.202 134 H LYS 19 HN LYS 19 3.326 -1.322 -6.422 135 HA LYS 19 HA LYS 19 3.567 0.895 -4.612 136 1HB LYS 19 HB2 LYS 19 3.566 1.082 -7.107 137 2HB LYS 19 HB3 LYS 19 1.849 0.590 -7.143 138 1HG LYS 19 HG2 LYS 19 1.248 2.664 -5.843 139 2HG LYS 19 HG3 LYS 19 2.996 3.078 -5.706 140 1HD LYS 19 HD2 LYS 19 3.124 3.280 -8.201 141 2HD LYS 19 HD3 LYS 19 1.377 2.855 -8.320 142 1HE LYS 19 HE2 LYS 19 0.788 4.914 -6.977 143 2HE LYS 19 HE3 LYS 19 2.544 5.343 -6.880 144 1HZ LYS 19 HZ2 LYS 19 0.937 5.069 -9.367 145 2HZ LYS 19 HZ3 LYS 19 1.414 6.520 -8.624 146 3HZ LYS 19 HZ1 LYS 19 2.584 5.476 -9.278 147 H GLY 20 HN GLY 20 1.934 1.935 -3.443 148 1HA GLY 20 HA1 GLY 20 -0.745 0.847 -3.280 149 2HA GLY 20 HA2 GLY 20 0.306 0.761 -1.820 150 H TRP 21 HN TRP 21 -2.186 2.366 -2.273 151 HA TRP 21 HA TRP 21 -1.087 4.795 -1.201 152 1HB TRP 21 HB2 TRP 21 -2.675 6.207 -2.492 153 2HB TRP 21 HB3 TRP 21 -1.375 5.517 -3.491 154 HD1 TRP 21 HD1 TRP 21 -5.215 5.188 -2.906 155 HE1 TRP 21 HE1 TRP 21 -6.270 4.034 -4.945 156 HE3 TRP 21 HE3 TRP 21 -0.930 4.092 -5.431 157 HZ2 TRP 21 HZ2 TRP 21 -5.373 2.834 -7.364 158 HZ3 TRP 21 HZ3 TRP 21 -1.082 2.993 -7.642 159 HH2 TRP 21 HH2 TRP 21 -3.269 2.389 -8.606 160 H CYS 22 HN CYS 22 -3.075 6.049 -0.315 161 HA CYS 22 HA CYS 22 -4.678 4.126 1.244 162 1HB CYS 22 HB2 CYS 22 -2.875 5.487 2.371 163 2HB CYS 22 HB3 CYS 22 -3.653 6.984 1.845 164 H ASP 23 HN ASP 23 -6.894 4.195 0.865 165 HA ASP 23 HA ASP 23 -8.057 6.454 -0.596 166 1HB ASP 23 HB2 ASP 23 -8.691 3.476 -0.288 167 2HB ASP 23 HB3 ASP 23 -10.024 4.625 -0.701 168 H HIS 24 HN HIS 24 -9.656 4.188 1.664 169 HA HIS 24 HA HIS 24 -10.220 6.268 3.592 170 1HB HIS 24 HB2 HIS 24 -12.457 5.061 1.824 171 2HB HIS 24 HB3 HIS 24 -12.737 6.036 3.311 172 HD1 HIS 24 HD1 HIS 24 -11.726 8.616 3.136 173 HD2 HIS 24 HD2 HIS 24 -12.325 6.587 -0.490 174 HE1 HIS 24 HE1 HIS 24 -11.774 10.341 1.252 175 H ARG 25 HN ARG 25 -11.045 3.090 2.193 176 HA ARG 25 HA ARG 25 -11.882 1.888 4.566 177 1HB ARG 25 HB2 ARG 25 -12.289 -0.072 3.160 178 2HB ARG 25 HB3 ARG 25 -12.838 1.431 2.367 179 1HG ARG 25 HG2 ARG 25 -10.521 1.392 1.087 180 2HG ARG 25 HG3 ARG 25 -10.386 -0.288 1.693 181 1HD ARG 25 HD2 ARG 25 -11.288 -0.341 -0.568 182 2HD ARG 25 HD3 ARG 25 -12.635 -0.805 0.567 183 HE ARG 25 HE ARG 25 -12.752 2.031 0.237 184 1HH1 ARG 25 HH1 ARG 25 -13.123 -0.862 -1.830 185 2HH1 ARG 25 HH1 ARG 25 -14.211 -0.092 -2.936 186 1HH2 ARG 25 HH2 ARG 25 -14.212 3.043 -1.260 187 2HH2 ARG 25 HH2 ARG 25 -14.837 2.152 -2.608 188 H GLY 26 HN GLY 26 -8.723 2.173 3.032 189 1HA GLY 26 HA1 GLY 26 -7.138 1.269 4.962 190 2HA GLY 26 HA2 GLY 26 -7.614 -0.243 4.073 191 H CYS 27 HN CYS 27 -5.479 -0.481 3.383 192 HA CYS 27 HA CYS 27 -4.359 1.410 1.471 193 1HB CYS 27 HB2 CYS 27 -3.339 -1.213 2.721 194 2HB CYS 27 HB3 CYS 27 -2.440 -0.361 1.426 195 H ILE 28 HN ILE 28 -3.524 0.668 -0.527 196 HA ILE 28 HA ILE 28 -5.211 -1.214 -2.011 197 HB ILE 28 HB ILE 28 -3.854 1.427 -2.831 198 1HG1 ILE 28 HG1 ILE 28 -5.981 1.656 -1.429 199 2HG1 ILE 28 HG1 ILE 28 -6.011 2.392 -3.043 200 1HG2 ILE 28 HG2 ILE 28 -5.400 -0.640 -4.509 201 2HG2 ILE 28 HG2 ILE 28 -5.028 1.047 -5.033 202 3HG2 ILE 28 HG2 ILE 28 -3.690 -0.103 -4.706 203 1HD1 ILE 28 HD1 ILE 28 -7.261 -0.361 -2.447 204 2HD1 ILE 28 HD1 ILE 28 -8.144 1.207 -2.421 205 3HD1 ILE 28 HD1 ILE 28 -7.408 0.627 -3.960 206 H CYS 29 HN CYS 29 -4.016 -2.787 -3.231 207 HA CYS 29 HA CYS 29 -1.086 -2.666 -3.163 208 1HB CYS 29 HB2 CYS 29 -2.963 -5.067 -2.618 209 2HB CYS 29 HB3 CYS 29 -1.198 -5.161 -2.889 210 H GLU 30 HN GLU 30 -0.428 -2.545 -5.288 211 HA GLU 30 HA GLU 30 -2.356 -3.147 -7.407 212 1HB GLU 30 HB2 GLU 30 0.065 -1.287 -7.185 213 2HB GLU 30 HB3 GLU 30 -0.851 -1.463 -8.724 214 1HG GLU 30 HG2 GLU 30 -2.073 -0.437 -6.093 215 2HG GLU 30 HG3 GLU 30 -1.486 0.575 -7.458 216 H SER 31 HN SER 31 -0.452 -5.054 -6.186 217 HA SER 31 HA SER 31 0.837 -6.763 -6.736 218 1HB SER 31 HB2 SER 31 -0.780 -6.637 -9.317 219 2HB SER 31 HB3 SER 31 0.122 -8.085 -8.710 220 HG SER 31 HG SER 31 -2.071 -8.098 -8.174 No H/Q in entry = 220 Start of MODEL 8 1 1H CYS 1 HT1 CYS 1 -2.975 3.377 8.996 2 2H CYS 1 HT3 CYS 1 -4.224 3.868 7.955 3 3H CYS 1 HT2 CYS 1 -3.267 2.522 7.558 4 HA CYS 1 HA CYS 1 -1.351 3.880 7.362 5 1HB CYS 1 HB2 CYS 1 -1.881 4.894 5.200 6 2HB CYS 1 HB3 CYS 1 -2.823 3.404 5.381 7 H THR 2 HN THR 2 -1.197 6.492 6.372 8 HA THR 2 HA THR 2 -2.792 8.275 7.944 9 HB THR 2 HB THR 2 -0.814 8.060 9.376 10 HG1 THR 2 HG1 THR 2 -0.384 10.257 9.494 11 1HG2 THR 2 HG2 THR 2 0.929 7.537 7.682 12 2HG2 THR 2 HG2 THR 2 0.825 9.216 7.020 13 3HG2 THR 2 HG2 THR 2 1.393 8.938 8.703 14 H THR 3 HN THR 3 -0.438 7.542 5.361 15 HA THR 3 HA THR 3 -1.956 9.171 3.487 16 HB THR 3 HB THR 3 0.226 10.006 2.435 17 HG1 THR 3 HG1 THR 3 1.593 8.616 3.648 18 1HG2 THR 3 HG2 THR 3 -1.329 11.471 3.748 19 2HG2 THR 3 HG2 THR 3 -0.378 11.117 5.242 20 3HG2 THR 3 HG2 THR 3 0.401 11.962 3.858 21 H SER 4 HN SER 4 -0.449 8.675 1.317 22 HA SER 4 HA SER 4 -1.076 6.227 0.323 23 1HB SER 4 HB2 SER 4 -0.736 8.411 -0.869 24 2HB SER 4 HB3 SER 4 1.035 8.254 -0.653 25 HG SER 4 HG SER 4 0.290 7.585 -2.681 26 H LYS 5 HN LYS 5 2.004 7.212 1.883 27 HA LYS 5 HA LYS 5 3.527 5.073 0.735 28 1HB LYS 5 HB2 LYS 5 5.480 6.183 1.648 29 2HB LYS 5 HB3 LYS 5 4.428 7.276 0.701 30 1HG LYS 5 HG2 LYS 5 3.394 8.127 2.815 31 2HG LYS 5 HG3 LYS 5 4.550 7.119 3.759 32 1HD LYS 5 HD2 LYS 5 6.468 8.346 2.736 33 2HD LYS 5 HD3 LYS 5 5.320 9.347 1.775 34 1HE LYS 5 HE2 LYS 5 4.337 10.276 3.902 35 2HE LYS 5 HE3 LYS 5 5.492 9.270 4.870 36 1HZ LYS 5 HZ3 LYS 5 7.305 10.437 3.812 37 2HZ LYS 5 HZ1 LYS 5 6.222 11.380 2.905 38 3HZ LYS 5 HZ2 LYS 5 6.254 11.515 4.598 39 H GLU 6 HN GLU 6 1.424 4.720 3.047 40 HA GLU 6 HA GLU 6 3.050 2.969 4.787 41 1HB GLU 6 HB2 GLU 6 0.377 4.406 5.232 42 2HB GLU 6 HB3 GLU 6 0.868 2.998 6.231 43 1HG GLU 6 HG2 GLU 6 1.341 5.002 7.451 44 2HG GLU 6 HG3 GLU 6 2.869 4.138 7.050 45 H CYS 7 HN CYS 7 1.501 2.948 1.915 46 HA CYS 7 HA CYS 7 0.284 0.286 2.248 47 1HB CYS 7 HB2 CYS 7 -0.468 2.484 0.240 48 2HB CYS 7 HB3 CYS 7 -1.203 0.856 0.334 49 H TRP 8 HN TRP 8 3.098 1.652 1.454 50 HA TRP 8 HA TRP 8 3.547 0.562 -1.207 51 1HB TRP 8 HB2 TRP 8 5.302 2.200 0.656 52 2HB TRP 8 HB3 TRP 8 5.809 1.601 -0.961 53 HD1 TRP 8 HD1 TRP 8 2.311 2.756 -1.551 54 HE1 TRP 8 HE1 TRP 8 2.321 5.173 -2.379 55 HE3 TRP 8 HE3 TRP 8 7.095 3.862 -0.398 56 HZ2 TRP 8 HZ2 TRP 8 4.243 7.295 -2.658 57 HZ3 TRP 8 HZ3 TRP 8 8.017 6.121 -0.959 58 HH2 TRP 8 HH2 TRP 8 6.596 7.805 -2.074 59 H SER 9 HN SER 9 4.118 -0.210 2.187 60 HA SER 9 HA SER 9 5.550 -2.675 1.454 61 1HB SER 9 HB2 SER 9 7.145 -0.881 2.319 62 2HB SER 9 HB3 SER 9 6.258 -0.899 3.876 63 HG SER 9 HG SER 9 7.561 -3.079 2.580 64 H VAL 10 HN VAL 10 2.956 -2.938 1.465 65 HA VAL 10 HA VAL 10 2.113 -3.707 4.180 66 HB VAL 10 HB VAL 10 1.148 -1.586 3.187 67 1HG1 VAL 10 HG1 VAL 10 0.656 -2.435 0.855 68 2HG1 VAL 10 HG1 VAL 10 -0.654 -3.453 1.563 69 3HG1 VAL 10 HG1 VAL 10 -0.744 -1.672 1.685 70 1HG2 VAL 10 HG2 VAL 10 0.289 -2.792 5.206 71 2HG2 VAL 10 HG2 VAL 10 -1.056 -2.063 4.253 72 3HG2 VAL 10 HG2 VAL 10 -0.744 -3.835 4.155 73 H CYS 11 HN CYS 11 1.736 -4.212 0.715 74 HA CYS 11 HA CYS 11 1.052 -7.076 1.076 75 1HB CYS 11 HB2 CYS 11 0.429 -5.032 -1.108 76 2HB CYS 11 HB3 CYS 11 0.167 -6.782 -1.358 77 H GLN 12 HN GLN 12 3.597 -5.022 0.429 78 HA GLN 12 HA GLN 12 4.966 -6.609 -1.628 79 1HB GLN 12 HB2 GLN 12 4.686 -4.018 -1.620 80 2HB GLN 12 HB3 GLN 12 5.657 -3.989 -0.119 81 1HG GLN 12 HG2 GLN 12 7.393 -5.332 -1.726 82 2HG GLN 12 HG3 GLN 12 6.342 -4.556 -3.017 83 1HE2 GLN 12 HE2 GLN 12 8.598 -2.124 -0.417 84 2HE2 GLN 12 HE2 GLN 12 7.988 -3.650 0.133 85 H ARG 13 HN ARG 13 4.976 -5.690 1.719 86 HA ARG 13 HA ARG 13 7.230 -7.195 2.605 87 1HB ARG 13 HB2 ARG 13 6.400 -5.092 3.614 88 2HB ARG 13 HB3 ARG 13 4.910 -5.897 4.165 89 1HG ARG 13 HG2 ARG 13 7.652 -6.984 5.022 90 2HG ARG 13 HG3 ARG 13 7.049 -5.441 5.716 91 1HD ARG 13 HD2 ARG 13 4.984 -6.545 6.561 92 2HD ARG 13 HD3 ARG 13 5.566 -8.143 5.923 93 HE ARG 13 HE ARG 13 7.635 -6.978 7.566 94 1HH1 ARG 13 HH1 ARG 13 4.388 -8.439 7.877 95 2HH1 ARG 13 HH1 ARG 13 4.659 -9.023 9.486 96 1HH2 ARG 13 HH2 ARG 13 7.977 -7.772 9.727 97 2HH2 ARG 13 HH2 ARG 13 6.722 -8.640 10.549 98 H LEU 14 HN LEU 14 3.773 -7.858 2.116 99 HA LEU 14 HA LEU 14 3.775 -10.329 3.660 100 1HB LEU 14 HB2 LEU 14 1.709 -8.488 2.505 101 2HB LEU 14 HB3 LEU 14 1.250 -10.211 2.552 102 HG LEU 14 HG LEU 14 1.598 -10.384 4.925 103 1HD1 LEU 14 HD1 LEU 14 2.422 -7.412 4.945 104 2HD1 LEU 14 HD1 LEU 14 1.983 -8.383 6.396 105 3HD1 LEU 14 HD1 LEU 14 3.422 -8.831 5.423 106 1HD2 LEU 14 HD2 LEU 14 -0.611 -9.681 4.032 107 2HD2 LEU 14 HD2 LEU 14 -0.310 -8.967 5.662 108 3HD2 LEU 14 HD2 LEU 14 -0.143 -7.947 4.183 109 H HIS 15 HN HIS 15 3.257 -9.260 0.211 110 HA HIS 15 HA HIS 15 3.442 -12.050 -0.660 111 1HB HIS 15 HB2 HIS 15 2.482 -9.648 -2.280 112 2HB HIS 15 HB3 HIS 15 2.462 -11.377 -2.751 113 HD1 HIS 15 HD1 HIS 15 1.068 -12.901 -0.740 114 HD2 HIS 15 HD2 HIS 15 0.026 -8.859 -1.218 115 HE1 HIS 15 HE1 HIS 15 -1.238 -12.533 0.297 116 H ASN 16 HN ASN 16 4.435 -9.237 -2.727 117 HA ASN 16 HA ASN 16 7.140 -9.544 -2.056 118 1HB ASN 16 HB2 ASN 16 6.734 -11.711 -3.515 119 2HB ASN 16 HB3 ASN 16 6.433 -10.627 -4.897 120 1HD2 ASN 16 HD2 ASN 16 9.905 -10.482 -5.644 121 2HD2 ASN 16 HD2 ASN 16 8.258 -10.370 -6.171 122 H THR 17 HN THR 17 5.042 -8.489 -4.852 123 HA THR 17 HA THR 17 6.508 -5.929 -4.694 124 HB THR 17 HB THR 17 6.109 -5.614 -7.101 125 HG1 THR 17 HG1 THR 17 5.738 -8.444 -7.015 126 1HG2 THR 17 HG2 THR 17 8.339 -6.171 -6.115 127 2HG2 THR 17 HG2 THR 17 7.999 -7.931 -6.303 128 3HG2 THR 17 HG2 THR 17 8.143 -6.879 -7.759 129 H SER 18 HN SER 18 5.315 -4.372 -4.133 130 HA SER 18 HA SER 18 2.842 -3.957 -5.201 131 1HB SER 18 HB2 SER 18 2.740 -4.279 -2.173 132 2HB SER 18 HB3 SER 18 1.436 -3.512 -3.146 133 HG SER 18 HG SER 18 1.028 -5.652 -2.705 134 H LYS 19 HN LYS 19 2.055 -1.972 -5.239 135 HA LYS 19 HA LYS 19 3.436 0.185 -3.844 136 1HB LYS 19 HB2 LYS 19 4.322 0.012 -6.244 137 2HB LYS 19 HB3 LYS 19 2.641 0.102 -6.841 138 1HG LYS 19 HG2 LYS 19 3.733 2.254 -7.108 139 2HG LYS 19 HG3 LYS 19 2.468 2.446 -5.851 140 1HD LYS 19 HD2 LYS 19 4.214 2.285 -4.061 141 2HD LYS 19 HD3 LYS 19 5.484 2.041 -5.307 142 1HE LYS 19 HE2 LYS 19 3.716 4.573 -5.013 143 2HE LYS 19 HE3 LYS 19 5.422 4.402 -4.435 144 1HZ LYS 19 HZ1 LYS 19 6.101 4.027 -6.705 145 2HZ LYS 19 HZ2 LYS 19 4.501 4.185 -7.252 146 3HZ LYS 19 HZ3 LYS 19 5.291 5.511 -6.542 147 H GLY 20 HN GLY 20 1.825 1.584 -2.996 148 1HA GLY 20 HA1 GLY 20 -0.996 0.918 -3.660 149 2HA GLY 20 HA2 GLY 20 -0.293 0.898 -2.018 150 H TRP 21 HN TRP 21 -2.450 2.409 -2.305 151 HA TRP 21 HA TRP 21 -1.361 4.871 -1.416 152 1HB TRP 21 HB2 TRP 21 -3.125 6.223 -2.607 153 2HB TRP 21 HB3 TRP 21 -1.798 5.652 -3.644 154 HD1 TRP 21 HD1 TRP 21 -5.622 5.208 -3.081 155 HE1 TRP 21 HE1 TRP 21 -6.630 3.884 -5.028 156 HE3 TRP 21 HE3 TRP 21 -1.292 4.025 -5.515 157 HZ2 TRP 21 HZ2 TRP 21 -5.698 2.533 -7.358 158 HZ3 TRP 21 HZ3 TRP 21 -1.407 2.698 -7.594 159 HH2 TRP 21 HH2 TRP 21 -3.578 1.967 -8.511 160 H CYS 22 HN CYS 22 -3.232 6.017 -0.230 161 HA CYS 22 HA CYS 22 -4.983 3.971 0.987 162 1HB CYS 22 HB2 CYS 22 -2.978 5.040 2.327 163 2HB CYS 22 HB3 CYS 22 -3.988 6.485 2.444 164 H ASP 23 HN ASP 23 -7.136 4.315 0.667 165 HA ASP 23 HA ASP 23 -8.010 6.839 -0.512 166 1HB ASP 23 HB2 ASP 23 -8.938 3.928 -0.581 167 2HB ASP 23 HB3 ASP 23 -10.135 5.244 -0.917 168 H HIS 24 HN HIS 24 -9.965 4.526 1.422 169 HA HIS 24 HA HIS 24 -10.576 6.659 3.345 170 1HB HIS 24 HB2 HIS 24 -12.668 5.139 1.664 171 2HB HIS 24 HB3 HIS 24 -13.029 6.279 3.009 172 HD1 HIS 24 HD1 HIS 24 -12.042 8.853 2.520 173 HD2 HIS 24 HD2 HIS 24 -12.553 6.363 -0.822 174 HE1 HIS 24 HE1 HIS 24 -12.072 10.317 0.426 175 H ARG 25 HN ARG 25 -11.094 3.275 2.255 176 HA ARG 25 HA ARG 25 -11.920 2.391 4.812 177 1HB ARG 25 HB2 ARG 25 -11.456 0.829 2.213 178 2HB ARG 25 HB3 ARG 25 -12.368 0.255 3.659 179 1HG ARG 25 HG2 ARG 25 -13.135 2.616 1.830 180 2HG ARG 25 HG3 ARG 25 -13.812 0.960 1.786 181 1HD ARG 25 HD2 ARG 25 -14.735 1.266 4.133 182 2HD ARG 25 HD3 ARG 25 -14.052 2.937 4.160 183 HE ARG 25 HE ARG 25 -15.684 3.694 2.655 184 1HH1 ARG 25 HH2 ARG 25 -15.967 0.138 2.957 185 2HH1 ARG 25 HH2 ARG 25 -17.500 0.069 2.152 186 1HH2 ARG 25 HH1 ARG 25 -17.729 3.566 1.583 187 2HH2 ARG 25 HH1 ARG 25 -18.510 2.036 1.363 188 H GLY 26 HN GLY 26 -8.914 2.295 2.894 189 1HA GLY 26 HA1 GLY 26 -7.214 1.630 4.890 190 2HA GLY 26 HA2 GLY 26 -7.771 0.053 4.182 191 H CYS 27 HN CYS 27 -5.671 -0.314 3.437 192 HA CYS 27 HA CYS 27 -4.492 1.370 1.408 193 1HB CYS 27 HB2 CYS 27 -3.676 -1.276 2.731 194 2HB CYS 27 HB3 CYS 27 -2.752 -0.591 1.357 195 H ILE 28 HN ILE 28 -3.904 0.723 -0.625 196 HA ILE 28 HA ILE 28 -5.573 -1.227 -2.031 197 HB ILE 28 HB ILE 28 -4.285 1.413 -2.956 198 1HG1 ILE 28 HG1 ILE 28 -6.367 1.672 -1.502 199 2HG1 ILE 28 HG1 ILE 28 -6.444 2.341 -3.143 200 1HG2 ILE 28 HG2 ILE 28 -5.828 -0.751 -4.514 201 2HG2 ILE 28 HG2 ILE 28 -5.537 0.928 -5.110 202 3HG2 ILE 28 HG2 ILE 28 -4.145 -0.162 -4.796 203 1HD1 ILE 28 HD1 ILE 28 -7.695 -0.360 -2.342 204 2HD1 ILE 28 HD1 ILE 28 -8.559 1.219 -2.459 205 3HD1 ILE 28 HD1 ILE 28 -7.843 0.487 -3.938 206 H CYS 29 HN CYS 29 -4.309 -2.849 -3.136 207 HA CYS 29 HA CYS 29 -1.382 -2.572 -3.008 208 1HB CYS 29 HB2 CYS 29 -3.133 -5.103 -2.619 209 2HB CYS 29 HB3 CYS 29 -1.361 -5.035 -2.742 210 H GLU 30 HN GLU 30 -0.650 -2.293 -5.046 211 HA GLU 30 HA GLU 30 -1.889 -3.731 -7.315 212 1HB GLU 30 HB2 GLU 30 -0.094 -1.240 -7.381 213 2HB GLU 30 HB3 GLU 30 -0.895 -2.032 -8.781 214 1HG GLU 30 HG2 GLU 30 -2.313 -0.579 -6.453 215 2HG GLU 30 HG3 GLU 30 -2.026 0.058 -8.109 216 H SER 31 HN SER 31 0.477 -3.290 -8.899 217 HA SER 31 HA SER 31 2.391 -5.213 -7.729 218 1HB SER 31 HB2 SER 31 2.111 -4.134 -10.596 219 2HB SER 31 HB3 SER 31 3.344 -5.326 -10.026 220 HG SER 31 HG SER 31 1.606 -6.675 -9.433 No H/Q in entry = 220 Start of MODEL 9 1 1H CYS 1 HT2 CYS 1 -4.282 4.137 8.609 2 2H CYS 1 HT1 CYS 1 -5.224 3.928 7.211 3 3H CYS 1 HT3 CYS 1 -3.962 2.844 7.553 4 HA CYS 1 HA CYS 1 -2.363 4.553 7.314 5 1HB CYS 1 HB2 CYS 1 -2.456 4.818 4.828 6 2HB CYS 1 HB3 CYS 1 -2.837 3.177 5.384 7 H THR 2 HN THR 2 -1.927 6.717 6.069 8 HA THR 2 HA THR 2 -3.964 8.734 6.566 9 HB THR 2 HB THR 2 -2.717 8.573 8.688 10 HG1 THR 2 HG1 THR 2 -3.523 10.541 7.958 11 1HG2 THR 2 HG2 THR 2 -0.499 7.779 7.782 12 2HG2 THR 2 HG2 THR 2 -0.204 9.416 7.088 13 3HG2 THR 2 HG2 THR 2 -0.350 9.204 8.865 14 H THR 3 HN THR 3 -0.966 7.559 5.070 15 HA THR 3 HA THR 3 -1.300 9.471 2.863 16 HB THR 3 HB THR 3 1.253 9.562 2.696 17 HG1 THR 3 HG1 THR 3 1.027 8.698 5.392 18 1HG2 THR 3 HG2 THR 3 -0.159 11.470 3.498 19 2HG2 THR 3 HG2 THR 3 -0.005 10.871 5.192 20 3HG2 THR 3 HG2 THR 3 1.456 11.412 4.292 21 H SER 4 HN SER 4 0.115 8.631 0.980 22 HA SER 4 HA SER 4 -0.557 5.973 0.308 23 1HB SER 4 HB2 SER 4 0.586 6.511 -1.869 24 2HB SER 4 HB3 SER 4 -0.723 7.637 -1.387 25 HG SER 4 HG SER 4 1.111 8.692 -2.157 26 H LYS 5 HN LYS 5 2.231 7.526 1.725 27 HA LYS 5 HA LYS 5 4.170 5.489 1.159 28 1HB LYS 5 HB2 LYS 5 4.648 7.933 1.163 29 2HB LYS 5 HB3 LYS 5 4.296 8.011 2.914 30 1HG LYS 5 HG2 LYS 5 6.265 6.557 3.382 31 2HG LYS 5 HG3 LYS 5 6.495 6.271 1.621 32 1HD LYS 5 HD2 LYS 5 6.923 8.724 1.293 33 2HD LYS 5 HD3 LYS 5 6.772 8.982 3.066 34 1HE LYS 5 HE2 LYS 5 8.881 7.179 1.674 35 2HE LYS 5 HE3 LYS 5 9.175 8.841 2.330 36 1HZ LYS 5 HZ1 LYS 5 8.317 6.468 3.901 37 2HZ LYS 5 HZ2 LYS 5 9.879 7.133 3.842 38 3HZ LYS 5 HZ3 LYS 5 8.599 8.028 4.511 39 H GLU 6 HN GLU 6 1.641 5.878 3.413 40 HA GLU 6 HA GLU 6 2.808 4.281 5.544 41 1HB GLU 6 HB2 GLU 6 1.380 6.349 5.967 42 2HB GLU 6 HB3 GLU 6 -0.015 5.480 5.281 43 1HG GLU 6 HG2 GLU 6 -0.077 5.455 7.742 44 2HG GLU 6 HG3 GLU 6 0.145 3.778 7.147 45 H CYS 7 HN CYS 7 1.367 3.848 2.521 46 HA CYS 7 HA CYS 7 0.394 1.125 3.101 47 1HB CYS 7 HB2 CYS 7 -0.311 3.134 0.889 48 2HB CYS 7 HB3 CYS 7 -0.786 1.406 0.815 49 H TRP 8 HN TRP 8 3.265 2.228 2.673 50 HA TRP 8 HA TRP 8 3.968 0.470 0.384 51 1HB TRP 8 HB2 TRP 8 5.694 2.609 1.671 52 2HB TRP 8 HB3 TRP 8 6.198 1.432 0.406 53 HD1 TRP 8 HD1 TRP 8 2.944 2.398 -1.002 54 HE1 TRP 8 HE1 TRP 8 3.020 4.646 -2.188 55 HE3 TRP 8 HE3 TRP 8 7.586 3.767 0.408 56 HZ2 TRP 8 HZ2 TRP 8 5.059 6.598 -2.860 57 HZ3 TRP 8 HZ3 TRP 8 8.620 5.833 -0.568 58 HH2 TRP 8 HH2 TRP 8 7.357 7.222 -2.173 59 H SER 9 HN SER 9 4.980 -1.391 0.859 60 HA SER 9 HA SER 9 5.853 -3.071 1.843 61 1HB SER 9 HB2 SER 9 7.435 -1.514 3.057 62 2HB SER 9 HB3 SER 9 6.349 -1.591 4.483 63 HG SER 9 HG SER 9 7.622 -3.767 3.156 64 H VAL 10 HN VAL 10 3.260 -3.043 1.438 65 HA VAL 10 HA VAL 10 1.845 -3.776 3.908 66 HB VAL 10 HB VAL 10 1.113 -1.710 2.937 67 1HG1 VAL 10 HG1 VAL 10 1.691 -1.999 0.543 68 2HG1 VAL 10 HG1 VAL 10 0.295 -3.119 0.336 69 3HG1 VAL 10 HG1 VAL 10 0.004 -1.427 0.809 70 1HG2 VAL 10 HG2 VAL 10 -0.475 -3.255 4.140 71 2HG2 VAL 10 HG2 VAL 10 -1.293 -2.192 2.939 72 3HG2 VAL 10 HG2 VAL 10 -1.009 -3.923 2.549 73 H CYS 11 HN CYS 11 1.811 -4.301 0.439 74 HA CYS 11 HA CYS 11 1.191 -7.183 0.773 75 1HB CYS 11 HB2 CYS 11 0.451 -5.269 -1.500 76 2HB CYS 11 HB3 CYS 11 0.113 -7.030 -1.493 77 H GLN 12 HN GLN 12 3.727 -5.188 0.300 78 HA GLN 12 HA GLN 12 5.189 -7.170 -1.334 79 1HB GLN 12 HB2 GLN 12 6.986 -5.253 -1.365 80 2HB GLN 12 HB3 GLN 12 5.632 -5.301 -2.530 81 1HG GLN 12 HG2 GLN 12 4.511 -3.525 -1.773 82 2HG GLN 12 HG3 GLN 12 5.192 -3.589 -0.085 83 1HE2 GLN 12 HE2 GLN 12 6.949 -0.706 -1.437 84 2HE2 GLN 12 HE2 GLN 12 5.502 -1.191 -0.619 85 H ARG 13 HN ARG 13 4.165 -6.606 1.669 86 HA ARG 13 HA ARG 13 6.559 -7.744 2.933 87 1HB ARG 13 HB2 ARG 13 5.542 -5.681 3.935 88 2HB ARG 13 HB3 ARG 13 4.009 -6.565 4.193 89 1HG ARG 13 HG2 ARG 13 5.191 -8.102 5.786 90 2HG ARG 13 HG3 ARG 13 6.760 -7.306 5.391 91 1HD ARG 13 HD2 ARG 13 5.897 -5.134 6.313 92 2HD ARG 13 HD3 ARG 13 4.314 -5.938 6.716 93 HE ARG 13 HE ARG 13 6.402 -7.510 7.889 94 1HH1 ARG 13 HH2 ARG 13 5.030 -4.229 8.246 95 2HH1 ARG 13 HH2 ARG 13 5.428 -4.101 9.927 96 1HH2 ARG 13 HH1 ARG 13 6.929 -7.316 10.147 97 2HH2 ARG 13 HH1 ARG 13 6.521 -5.875 11.019 98 H LEU 14 HN LEU 14 3.590 -8.475 1.345 99 HA LEU 14 HA LEU 14 3.190 -11.032 2.737 100 1HB LEU 14 HB2 LEU 14 1.312 -9.440 0.893 101 2HB LEU 14 HB3 LEU 14 0.943 -11.048 1.608 102 HG LEU 14 HG LEU 14 1.484 -8.495 3.224 103 1HD1 LEU 14 HD1 LEU 14 -0.586 -8.284 1.859 104 2HD1 LEU 14 HD1 LEU 14 -1.202 -9.840 2.532 105 3HD1 LEU 14 HD1 LEU 14 -0.966 -8.417 3.616 106 1HD2 LEU 14 HD2 LEU 14 0.411 -11.245 4.119 107 2HD2 LEU 14 HD2 LEU 14 2.012 -10.527 4.545 108 3HD2 LEU 14 HD2 LEU 14 0.497 -9.762 5.141 109 H HIS 15 HN HIS 15 3.421 -9.441 -0.514 110 HA HIS 15 HA HIS 15 3.770 -12.055 -1.788 111 1HB HIS 15 HB2 HIS 15 3.130 -9.368 -3.106 112 2HB HIS 15 HB3 HIS 15 3.183 -10.989 -3.881 113 HD1 HIS 15 HD1 HIS 15 1.451 -12.732 -2.190 114 HD2 HIS 15 HD2 HIS 15 0.488 -8.679 -2.732 115 HE1 HIS 15 HE1 HIS 15 -1.034 -12.419 -1.682 116 H ASN 16 HN ASN 16 5.033 -9.009 -3.182 117 HA ASN 16 HA ASN 16 7.692 -9.480 -2.334 118 1HB ASN 16 HB2 ASN 16 7.400 -11.358 -4.117 119 2HB ASN 16 HB3 ASN 16 7.123 -10.085 -5.336 120 1HD2 ASN 16 HD2 ASN 16 10.927 -10.596 -3.599 121 2HD2 ASN 16 HD2 ASN 16 9.497 -10.963 -2.693 122 H THR 17 HN THR 17 5.817 -8.074 -5.134 123 HA THR 17 HA THR 17 6.997 -5.458 -4.512 124 HB THR 17 HB THR 17 6.923 -4.980 -6.988 125 HG1 THR 17 HG1 THR 17 7.159 -6.800 -8.314 126 1HG2 THR 17 HG2 THR 17 9.031 -5.344 -5.687 127 2HG2 THR 17 HG2 THR 17 8.944 -7.113 -6.021 128 3HG2 THR 17 HG2 THR 17 9.168 -5.948 -7.378 129 H SER 18 HN SER 18 5.551 -3.938 -4.265 130 HA SER 18 HA SER 18 3.021 -4.063 -5.456 131 1HB SER 18 HB2 SER 18 2.603 -5.520 -3.453 132 2HB SER 18 HB3 SER 18 2.745 -4.042 -2.447 133 HG SER 18 HG SER 18 0.981 -4.466 -4.626 134 H LYS 19 HN LYS 19 1.926 -2.105 -5.545 135 HA LYS 19 HA LYS 19 3.251 0.245 -4.360 136 1HB LYS 19 HB2 LYS 19 3.489 0.295 -6.849 137 2HB LYS 19 HB3 LYS 19 1.731 0.018 -7.037 138 1HG LYS 19 HG2 LYS 19 2.318 2.376 -7.433 139 2HG LYS 19 HG3 LYS 19 1.253 2.242 -6.002 140 1HD LYS 19 HD2 LYS 19 3.309 2.457 -4.505 141 2HD LYS 19 HD3 LYS 19 4.314 2.630 -5.984 142 1HE LYS 19 HE2 LYS 19 3.863 4.852 -4.994 143 2HE LYS 19 HE3 LYS 19 3.002 4.729 -6.582 144 1HZ LYS 19 HZ2 LYS 19 1.802 4.324 -3.889 145 2HZ LYS 19 HZ3 LYS 19 1.635 5.696 -4.877 146 3HZ LYS 19 HZ1 LYS 19 0.987 4.206 -5.374 147 H GLY 20 HN GLY 20 1.966 1.216 -2.894 148 1HA GLY 20 HA1 GLY 20 -0.912 0.595 -2.875 149 2HA GLY 20 HA2 GLY 20 0.157 0.537 -1.439 150 H TRP 21 HN TRP 21 -2.289 2.204 -2.254 151 HA TRP 21 HA TRP 21 -1.208 4.693 -1.251 152 1HB TRP 21 HB2 TRP 21 -2.728 6.000 -2.710 153 2HB TRP 21 HB3 TRP 21 -1.405 5.202 -3.598 154 HD1 TRP 21 HD1 TRP 21 -5.273 5.134 -3.187 155 HE1 TRP 21 HE1 TRP 21 -6.316 3.634 -4.988 156 HE3 TRP 21 HE3 TRP 21 -0.970 3.297 -5.226 157 HZ2 TRP 21 HZ2 TRP 21 -5.413 2.014 -7.140 158 HZ3 TRP 21 HZ3 TRP 21 -1.118 1.776 -7.176 159 HH2 TRP 21 HH2 TRP 21 -3.302 1.187 -8.150 160 H CYS 22 HN CYS 22 -3.096 5.979 -0.378 161 HA CYS 22 HA CYS 22 -4.761 4.142 1.211 162 1HB CYS 22 HB2 CYS 22 -2.922 5.458 2.291 163 2HB CYS 22 HB3 CYS 22 -3.623 6.975 1.710 164 H ASP 23 HN ASP 23 -6.936 4.205 0.801 165 HA ASP 23 HA ASP 23 -8.203 6.564 -0.393 166 1HB ASP 23 HB2 ASP 23 -8.882 3.573 -0.177 167 2HB ASP 23 HB3 ASP 23 -10.156 4.784 -0.541 168 H HIS 24 HN HIS 24 -7.478 5.161 2.586 169 HA HIS 24 HA HIS 24 -7.854 5.631 4.582 170 1HB HIS 24 HB2 HIS 24 -9.890 7.725 3.742 171 2HB HIS 24 HB3 HIS 24 -9.346 7.451 5.436 172 HD1 HIS 24 HD1 HIS 24 -7.787 8.539 2.083 173 HD2 HIS 24 HD2 HIS 24 -7.022 8.623 6.207 174 HE1 HIS 24 HE1 HIS 24 -5.713 9.979 2.479 175 H ARG 25 HN ARG 25 -9.515 3.719 2.917 176 HA ARG 25 HA ARG 25 -11.251 2.754 5.076 177 1HB ARG 25 HB2 ARG 25 -12.395 1.402 3.345 178 2HB ARG 25 HB3 ARG 25 -12.494 3.158 3.007 179 1HG ARG 25 HG2 ARG 25 -10.682 3.001 1.322 180 2HG ARG 25 HG3 ARG 25 -10.551 1.231 1.584 181 1HD ARG 25 HD2 ARG 25 -13.075 2.717 0.583 182 2HD ARG 25 HD3 ARG 25 -11.881 1.817 -0.455 183 HE ARG 25 HE ARG 25 -12.773 0.058 1.645 184 1HH1 ARG 25 HH2 ARG 25 -14.070 1.650 -1.281 185 2HH1 ARG 25 HH2 ARG 25 -15.249 0.418 -1.589 186 1HH2 ARG 25 HH1 ARG 25 -14.363 -1.582 1.212 187 2HH2 ARG 25 HH1 ARG 25 -15.417 -1.440 -0.156 188 H GLY 26 HN GLY 26 -8.210 2.545 3.556 189 1HA GLY 26 HA1 GLY 26 -6.945 0.725 4.871 190 2HA GLY 26 HA2 GLY 26 -7.836 -0.301 3.656 191 H CYS 27 HN CYS 27 -5.555 -0.725 2.900 192 HA CYS 27 HA CYS 27 -4.489 1.382 1.138 193 1HB CYS 27 HB2 CYS 27 -3.264 -1.253 2.174 194 2HB CYS 27 HB3 CYS 27 -2.459 -0.137 1.022 195 H ILE 28 HN ILE 28 -3.949 0.731 -1.068 196 HA ILE 28 HA ILE 28 -5.763 -1.289 -2.198 197 HB ILE 28 HB ILE 28 -4.635 1.311 -3.383 198 1HG1 ILE 28 HG1 ILE 28 -6.452 1.578 -1.554 199 2HG1 ILE 28 HG1 ILE 28 -6.700 2.340 -3.142 200 1HG2 ILE 28 HG2 ILE 28 -6.410 -0.956 -4.483 201 2HG2 ILE 28 HG2 ILE 28 -6.358 0.701 -5.225 202 3HG2 ILE 28 HG2 ILE 28 -4.874 -0.307 -5.158 203 1HD1 ILE 28 HD1 ILE 28 -7.969 -0.364 -2.403 204 2HD1 ILE 28 HD1 ILE 28 -8.767 1.244 -2.204 205 3HD1 ILE 28 HD1 ILE 28 -8.295 0.682 -3.851 206 H CYS 29 HN CYS 29 -4.553 -3.119 -2.730 207 HA CYS 29 HA CYS 29 -1.711 -2.807 -3.424 208 1HB CYS 29 HB2 CYS 29 -3.295 -5.287 -2.499 209 2HB CYS 29 HB3 CYS 29 -1.566 -5.215 -2.923 210 H GLU 30 HN GLU 30 -1.497 -2.616 -5.667 211 HA GLU 30 HA GLU 30 -3.078 -4.421 -7.384 212 1HB GLU 30 HB2 GLU 30 -1.861 -1.675 -8.022 213 2HB GLU 30 HB3 GLU 30 -2.770 -2.684 -9.204 214 1HG GLU 30 HG2 GLU 30 -3.907 -1.351 -6.678 215 2HG GLU 30 HG3 GLU 30 -4.178 -0.856 -8.386 216 H SER 31 HN SER 31 -0.482 -4.672 -5.954 217 HA SER 31 HA SER 31 1.494 -5.597 -6.173 218 1HB SER 31 HB2 SER 31 -0.056 -7.413 -7.012 219 2HB SER 31 HB3 SER 31 0.430 -6.977 -8.690 220 HG SER 31 HG SER 31 1.642 -8.673 -7.807 No H/Q in entry = 220 Start of MODEL 10 1 1H CYS 1 HT3 CYS 1 -3.215 3.800 8.709 2 2H CYS 1 HT2 CYS 1 -4.163 3.237 7.417 3 3H CYS 1 HT1 CYS 1 -2.588 2.641 7.636 4 HA CYS 1 HA CYS 1 -1.674 4.772 7.220 5 1HB CYS 1 HB2 CYS 1 -2.078 4.886 4.757 6 2HB CYS 1 HB3 CYS 1 -1.862 3.229 5.351 7 H THR 2 HN THR 2 -2.013 6.925 6.072 8 HA THR 2 HA THR 2 -4.641 8.060 6.164 9 HB THR 2 HB THR 2 -3.855 8.331 8.522 10 HG1 THR 2 HG1 THR 2 -5.276 9.782 7.573 11 1HG2 THR 2 HG2 THR 2 -1.380 8.596 8.039 12 2HG2 THR 2 HG2 THR 2 -1.710 10.242 7.375 13 3HG2 THR 2 HG2 THR 2 -2.055 9.881 9.100 14 H THR 3 HN THR 3 -1.529 7.619 4.859 15 HA THR 3 HA THR 3 -1.602 10.126 3.311 16 HB THR 3 HB THR 3 0.885 9.706 2.982 17 HG1 THR 3 HG1 THR 3 1.814 8.537 4.685 18 1HG2 THR 3 HG2 THR 3 -0.120 11.473 4.448 19 2HG2 THR 3 HG2 THR 3 -0.166 10.309 5.822 20 3HG2 THR 3 HG2 THR 3 1.413 10.813 5.121 21 H SER 4 HN SER 4 0.369 7.341 2.522 22 HA SER 4 HA SER 4 -0.999 6.226 0.398 23 1HB SER 4 HB2 SER 4 -0.863 8.558 -0.667 24 2HB SER 4 HB3 SER 4 0.920 8.505 -0.503 25 HG SER 4 HG SER 4 -0.746 6.720 -1.971 26 H LYS 5 HN LYS 5 2.030 7.587 1.714 27 HA LYS 5 HA LYS 5 3.848 5.745 0.707 28 1HB LYS 5 HB2 LYS 5 4.227 8.127 1.214 29 2HB LYS 5 HB3 LYS 5 4.067 7.810 2.967 30 1HG LYS 5 HG2 LYS 5 6.133 6.407 2.906 31 2HG LYS 5 HG3 LYS 5 6.241 6.608 1.124 32 1HD LYS 5 HD2 LYS 5 6.389 8.893 3.191 33 2HD LYS 5 HD3 LYS 5 7.809 8.044 2.484 34 1HE LYS 5 HE2 LYS 5 7.156 8.823 0.184 35 2HE LYS 5 HE3 LYS 5 5.750 9.720 0.887 36 1HZ LYS 5 HZ3 LYS 5 8.614 10.169 1.531 37 2HZ LYS 5 HZ1 LYS 5 7.634 11.133 0.533 38 3HZ LYS 5 HZ2 LYS 5 7.294 11.008 2.193 39 H GLU 6 HN GLU 6 1.684 5.416 3.349 40 HA GLU 6 HA GLU 6 3.291 3.501 4.857 41 1HB GLU 6 HB2 GLU 6 0.518 4.720 5.330 42 2HB GLU 6 HB3 GLU 6 1.336 3.559 6.446 43 1HG GLU 6 HG2 GLU 6 3.187 5.150 6.826 44 2HG GLU 6 HG3 GLU 6 2.453 6.339 5.691 45 H CYS 7 HN CYS 7 1.933 3.209 1.984 46 HA CYS 7 HA CYS 7 0.813 0.537 2.461 47 1HB CYS 7 HB2 CYS 7 -0.164 2.577 0.379 48 2HB CYS 7 HB3 CYS 7 -0.730 0.889 0.506 49 H TRP 8 HN TRP 8 3.521 2.041 1.565 50 HA TRP 8 HA TRP 8 3.899 0.967 -1.113 51 1HB TRP 8 HB2 TRP 8 5.630 2.733 0.647 52 2HB TRP 8 HB3 TRP 8 6.126 2.130 -0.970 53 HD1 TRP 8 HD1 TRP 8 2.528 3.062 -1.433 54 HE1 TRP 8 HE1 TRP 8 2.390 5.425 -2.394 55 HE3 TRP 8 HE3 TRP 8 7.333 4.408 -0.650 56 HZ2 TRP 8 HZ2 TRP 8 4.205 7.599 -2.903 57 HZ3 TRP 8 HZ3 TRP 8 8.129 6.651 -1.418 58 HH2 TRP 8 HH2 TRP 8 6.574 8.217 -2.524 59 H SER 9 HN SER 9 4.745 0.217 2.230 60 HA SER 9 HA SER 9 6.306 -2.127 1.352 61 1HB SER 9 HB2 SER 9 7.744 -1.835 3.405 62 2HB SER 9 HB3 SER 9 7.935 -0.538 2.180 63 HG SER 9 HG SER 9 7.789 0.259 4.274 64 H VAL 10 HN VAL 10 3.599 -2.166 1.516 65 HA VAL 10 HA VAL 10 2.960 -3.525 4.045 66 HB VAL 10 HB VAL 10 1.861 -1.270 3.299 67 1HG1 VAL 10 HG1 VAL 10 0.988 -2.074 1.025 68 2HG1 VAL 10 HG1 VAL 10 -0.131 -3.164 1.920 69 3HG1 VAL 10 HG1 VAL 10 -0.247 -1.397 2.127 70 1HG2 VAL 10 HG2 VAL 10 1.395 -2.588 5.370 71 2HG2 VAL 10 HG2 VAL 10 -0.130 -1.927 4.671 72 3HG2 VAL 10 HG2 VAL 10 0.280 -3.669 4.449 73 H CYS 11 HN CYS 11 2.658 -3.457 0.525 74 HA CYS 11 HA CYS 11 1.610 -6.184 0.420 75 1HB CYS 11 HB2 CYS 11 1.890 -4.152 -1.855 76 2HB CYS 11 HB3 CYS 11 0.991 -5.710 -1.880 77 H GLN 12 HN GLN 12 4.663 -4.810 0.504 78 HA GLN 12 HA GLN 12 5.888 -6.761 -1.314 79 1HB GLN 12 HB2 GLN 12 7.488 -4.812 0.429 80 2HB GLN 12 HB3 GLN 12 7.892 -5.587 -1.159 81 1HG GLN 12 HG2 GLN 12 6.118 -4.135 -2.210 82 2HG GLN 12 HG3 GLN 12 5.905 -3.290 -0.636 83 1HE2 GLN 12 HE2 GLN 12 9.308 -1.860 -0.685 84 2HE2 GLN 12 HE2 GLN 12 8.223 -2.667 0.398 85 H ARG 13 HN ARG 13 4.786 -6.325 1.833 86 HA ARG 13 HA ARG 13 6.695 -7.978 3.261 87 1HB ARG 13 HB2 ARG 13 6.005 -5.706 4.068 88 2HB ARG 13 HB3 ARG 13 4.307 -6.229 4.135 89 1HG ARG 13 HG2 ARG 13 4.905 -7.906 5.925 90 2HG ARG 13 HG3 ARG 13 6.632 -7.409 5.785 91 1HD ARG 13 HD2 ARG 13 5.983 -5.052 6.507 92 2HD ARG 13 HD3 ARG 13 4.266 -5.593 6.626 93 HE ARG 13 HE ARG 13 4.732 -6.802 8.590 94 1HH1 ARG 13 HH1 ARG 13 7.819 -5.622 7.214 95 2HH1 ARG 13 HH1 ARG 13 8.740 -6.007 8.631 96 1HH2 ARG 13 HH2 ARG 13 7.690 -6.972 10.497 97 2HH2 ARG 13 HH2 ARG 13 5.990 -7.303 10.466 98 H LEU 14 HN LEU 14 3.370 -7.920 1.973 99 HA LEU 14 HA LEU 14 2.690 -10.448 3.342 100 1HB LEU 14 HB2 LEU 14 0.879 -8.147 2.426 101 2HB LEU 14 HB3 LEU 14 0.310 -9.688 3.161 102 HG LEU 14 HG LEU 14 2.107 -7.606 4.537 103 1HD1 LEU 14 HD1 LEU 14 -0.165 -6.717 4.072 104 2HD1 LEU 14 HD1 LEU 14 -0.907 -8.150 4.878 105 3HD1 LEU 14 HD1 LEU 14 0.087 -6.988 5.837 106 1HD2 LEU 14 HD2 LEU 14 0.709 -10.106 5.689 107 2HD2 LEU 14 HD2 LEU 14 2.488 -9.870 5.492 108 3HD2 LEU 14 HD2 LEU 14 1.568 -8.841 6.645 109 H HIS 15 HN HIS 15 2.021 -8.530 0.322 110 HA HIS 15 HA HIS 15 0.720 -10.893 -0.778 111 1HB HIS 15 HB2 HIS 15 0.536 -7.932 -1.482 112 2HB HIS 15 HB3 HIS 15 -0.419 -9.241 -2.271 113 HD1 HIS 15 HD1 HIS 15 -1.888 -10.757 -0.450 114 HD2 HIS 15 HD2 HIS 15 -0.720 -6.931 0.815 115 HE1 HIS 15 HE1 HIS 15 -3.344 -10.090 1.540 116 H ASN 16 HN ASN 16 3.777 -9.459 -1.197 117 HA ASN 16 HA ASN 16 5.440 -10.028 -2.405 118 1HB ASN 16 HB2 ASN 16 4.240 -12.331 -2.519 119 2HB ASN 16 HB3 ASN 16 3.796 -11.903 -4.202 120 1HD2 ASN 16 HD2 ASN 16 6.907 -13.158 -5.386 121 2HD2 ASN 16 HD2 ASN 16 5.219 -12.860 -5.643 122 H THR 17 HN THR 17 3.599 -7.793 -3.211 123 HA THR 17 HA THR 17 4.293 -7.355 -6.016 124 HB THR 17 HB THR 17 2.193 -5.936 -5.967 125 HG1 THR 17 HG1 THR 17 1.783 -7.368 -3.567 126 1HG2 THR 17 HG2 THR 17 2.314 -8.233 -6.980 127 2HG2 THR 17 HG2 THR 17 1.875 -8.964 -5.396 128 3HG2 THR 17 HG2 THR 17 0.700 -7.896 -6.254 129 H SER 18 HN SER 18 3.580 -4.541 -5.694 130 HA SER 18 HA SER 18 5.976 -3.638 -4.193 131 1HB SER 18 HB2 SER 18 4.822 -2.539 -6.803 132 2HB SER 18 HB3 SER 18 6.222 -1.848 -5.883 133 HG SER 18 HG SER 18 7.238 -3.857 -6.133 134 H LYS 19 HN LYS 19 4.076 -1.259 -5.603 135 HA LYS 19 HA LYS 19 3.936 0.181 -3.197 136 1HB LYS 19 HB2 LYS 19 2.976 0.960 -5.960 137 2HB LYS 19 HB3 LYS 19 3.245 2.060 -4.553 138 1HG LYS 19 HG2 LYS 19 5.666 1.256 -4.474 139 2HG LYS 19 HG3 LYS 19 5.353 0.394 -6.018 140 1HD LYS 19 HD2 LYS 19 6.343 2.439 -6.653 141 2HD LYS 19 HD3 LYS 19 4.586 2.592 -7.017 142 1HE LYS 19 HE2 LYS 19 5.462 4.715 -6.058 143 2HE LYS 19 HE3 LYS 19 4.307 3.973 -4.883 144 1HZ LYS 19 HZ1 LYS 19 7.274 3.788 -4.796 145 2HZ LYS 19 HZ2 LYS 19 6.285 4.765 -3.819 146 3HZ LYS 19 HZ3 LYS 19 6.197 3.073 -3.694 147 H GLY 20 HN GLY 20 1.865 1.868 -3.341 148 1HA GLY 20 HA1 GLY 20 -0.722 0.699 -3.495 149 2HA GLY 20 HA2 GLY 20 -0.066 0.753 -1.821 150 H TRP 21 HN TRP 21 -2.276 2.209 -2.083 151 HA TRP 21 HA TRP 21 -1.206 4.690 -1.239 152 1HB TRP 21 HB2 TRP 21 -2.984 6.035 -2.396 153 2HB TRP 21 HB3 TRP 21 -1.694 5.457 -3.478 154 HD1 TRP 21 HD1 TRP 21 -5.458 4.777 -2.682 155 HE1 TRP 21 HE1 TRP 21 -6.519 3.570 -4.686 156 HE3 TRP 21 HE3 TRP 21 -1.260 4.219 -5.507 157 HZ2 TRP 21 HZ2 TRP 21 -5.643 2.440 -7.146 158 HZ3 TRP 21 HZ3 TRP 21 -1.434 3.134 -7.719 159 HH2 TRP 21 HH2 TRP 21 -3.579 2.229 -8.524 160 H CYS 22 HN CYS 22 -3.249 5.854 -0.181 161 HA CYS 22 HA CYS 22 -4.711 3.790 1.345 162 1HB CYS 22 HB2 CYS 22 -2.980 5.332 2.475 163 2HB CYS 22 HB3 CYS 22 -4.048 6.701 2.117 164 H ASP 23 HN ASP 23 -6.956 3.757 1.085 165 HA ASP 23 HA ASP 23 -8.273 5.946 -0.350 166 1HB ASP 23 HB2 ASP 23 -8.782 2.956 0.038 167 2HB ASP 23 HB3 ASP 23 -10.174 4.051 -0.327 168 H HIS 24 HN HIS 24 -9.716 3.685 2.033 169 HA HIS 24 HA HIS 24 -10.156 5.801 3.958 170 1HB HIS 24 HB2 HIS 24 -12.502 4.512 2.422 171 2HB HIS 24 HB3 HIS 24 -12.678 5.521 3.900 172 HD1 HIS 24 HD1 HIS 24 -11.734 8.114 3.563 173 HD2 HIS 24 HD2 HIS 24 -12.612 5.964 0.064 174 HE1 HIS 24 HE1 HIS 24 -11.988 9.780 1.641 175 H ARG 25 HN ARG 25 -10.978 2.505 2.733 176 HA ARG 25 HA ARG 25 -11.606 1.367 5.159 177 1HB ARG 25 HB2 ARG 25 -10.782 -0.027 2.537 178 2HB ARG 25 HB3 ARG 25 -11.733 -0.714 3.902 179 1HG ARG 25 HG2 ARG 25 -13.331 -0.301 2.361 180 2HG ARG 25 HG3 ARG 25 -13.476 1.175 3.369 181 1HD ARG 25 HD2 ARG 25 -12.260 2.484 1.544 182 2HD ARG 25 HD3 ARG 25 -11.941 0.940 0.676 183 HE ARG 25 HE ARG 25 -14.104 0.930 -0.159 184 1HH1 ARG 25 HH1 ARG 25 -14.024 3.320 2.511 185 2HH1 ARG 25 HH1 ARG 25 -15.602 3.942 2.157 186 1HH2 ARG 25 HH2 ARG 25 -16.201 1.787 -0.597 187 2HH2 ARG 25 HH2 ARG 25 -16.850 3.063 0.377 188 H GLY 26 HN GLY 26 -8.550 1.610 3.322 189 1HA GLY 26 HA1 GLY 26 -6.793 1.026 5.312 190 2HA GLY 26 HA2 GLY 26 -7.213 -0.551 4.513 191 H CYS 27 HN CYS 27 -5.143 -0.717 3.683 192 HA CYS 27 HA CYS 27 -4.186 1.165 1.683 193 1HB CYS 27 HB2 CYS 27 -3.060 -1.417 2.905 194 2HB CYS 27 HB3 CYS 27 -2.273 -0.627 1.504 195 H ILE 28 HN ILE 28 -3.499 0.484 -0.358 196 HA ILE 28 HA ILE 28 -5.121 -1.521 -1.752 197 HB ILE 28 HB ILE 28 -3.930 1.177 -2.656 198 1HG1 ILE 28 HG1 ILE 28 -6.033 1.310 -1.228 199 2HG1 ILE 28 HG1 ILE 28 -6.156 1.992 -2.864 200 1HG2 ILE 28 HG2 ILE 28 -5.344 -1.006 -4.299 201 2HG2 ILE 28 HG2 ILE 28 -5.103 0.700 -4.839 202 3HG2 ILE 28 HG2 ILE 28 -3.678 -0.343 -4.522 203 1HD1 ILE 28 HD1 ILE 28 -7.207 -0.813 -2.136 204 2HD1 ILE 28 HD1 ILE 28 -8.188 0.694 -2.164 205 3HD1 ILE 28 HD1 ILE 28 -7.441 0.092 -3.690 206 H CYS 29 HN CYS 29 -3.878 -2.947 -3.133 207 HA CYS 29 HA CYS 29 -0.951 -2.791 -2.863 208 1HB CYS 29 HB2 CYS 29 -2.883 -5.174 -3.351 209 2HB CYS 29 HB3 CYS 29 -1.103 -5.279 -3.519 210 H GLU 30 HN GLU 30 0.000 -2.163 -4.734 211 HA GLU 30 HA GLU 30 -1.115 -2.987 -7.345 212 1HB GLU 30 HB2 GLU 30 0.679 -0.558 -6.708 213 2HB GLU 30 HB3 GLU 30 0.153 -1.075 -8.347 214 1HG GLU 30 HG2 GLU 30 -1.668 -0.042 -6.074 215 2HG GLU 30 HG3 GLU 30 -1.117 0.863 -7.529 216 H SER 31 HN SER 31 0.479 -3.782 -8.816 217 HA SER 31 HA SER 31 2.866 -4.950 -7.542 218 1HB SER 31 HB2 SER 31 1.198 -6.473 -8.705 219 2HB SER 31 HB3 SER 31 1.547 -5.606 -10.244 220 HG SER 31 HG SER 31 3.750 -6.206 -9.907 No H/Q in entry = 220 Start of MODEL 11 1 1H CYS 1 HT1 CYS 1 -3.966 4.103 8.626 2 2H CYS 1 HT3 CYS 1 -4.925 3.838 7.248 3 3H CYS 1 HT2 CYS 1 -3.571 2.855 7.542 4 HA CYS 1 HA CYS 1 -2.121 4.694 7.287 5 1HB CYS 1 HB2 CYS 1 -2.301 4.976 4.811 6 2HB CYS 1 HB3 CYS 1 -2.551 3.306 5.347 7 H THR 2 HN THR 2 -1.916 6.880 6.019 8 HA THR 2 HA THR 2 -4.153 8.678 6.371 9 HB THR 2 HB THR 2 -2.995 8.814 8.546 10 HG1 THR 2 HG1 THR 2 -3.982 10.619 7.645 11 1HG2 THR 2 HG2 THR 2 -0.664 8.219 7.799 12 2HG2 THR 2 HG2 THR 2 -0.519 9.822 6.984 13 3HG2 THR 2 HG2 THR 2 -0.725 9.731 8.766 14 H THR 3 HN THR 3 -0.967 7.748 5.128 15 HA THR 3 HA THR 3 -1.371 9.414 2.742 16 HB THR 3 HB THR 3 1.184 9.699 2.687 17 HG1 THR 3 HG1 THR 3 2.141 9.679 4.726 18 1HG2 THR 3 HG2 THR 3 -0.434 11.545 3.192 19 2HG2 THR 3 HG2 THR 3 -0.359 11.132 4.944 20 3HG2 THR 3 HG2 THR 3 1.117 11.712 4.092 21 H SER 4 HN SER 4 0.264 8.567 1.043 22 HA SER 4 HA SER 4 -0.458 5.971 0.334 23 1HB SER 4 HB2 SER 4 -0.196 7.957 -1.189 24 2HB SER 4 HB3 SER 4 1.579 7.906 -0.950 25 HG SER 4 HG SER 4 -0.068 5.857 -2.045 26 H LYS 5 HN LYS 5 2.370 7.284 1.976 27 HA LYS 5 HA LYS 5 4.158 5.110 1.429 28 1HB LYS 5 HB2 LYS 5 5.794 6.404 2.757 29 2HB LYS 5 HB3 LYS 5 5.062 7.316 1.405 30 1HG LYS 5 HG2 LYS 5 3.475 8.427 2.933 31 2HG LYS 5 HG3 LYS 5 4.175 7.547 4.337 32 1HD LYS 5 HD2 LYS 5 6.389 8.633 3.915 33 2HD LYS 5 HD3 LYS 5 5.688 9.512 2.506 34 1HE LYS 5 HE2 LYS 5 4.067 10.687 4.038 35 2HE LYS 5 HE3 LYS 5 4.771 9.805 5.454 36 1HZ LYS 5 HZ1 LYS 5 6.885 10.839 4.975 37 2HZ LYS 5 HZ2 LYS 5 6.225 11.666 3.645 38 3HZ LYS 5 HZ3 LYS 5 5.671 12.004 5.215 39 H GLU 6 HN GLU 6 1.544 5.287 3.420 40 HA GLU 6 HA GLU 6 2.663 3.608 5.560 41 1HB GLU 6 HB2 GLU 6 -0.078 4.990 5.362 42 2HB GLU 6 HB3 GLU 6 0.530 4.034 6.759 43 1HG GLU 6 HG2 GLU 6 1.651 6.713 5.715 44 2HG GLU 6 HG3 GLU 6 0.638 6.467 7.181 45 H CYS 7 HN CYS 7 1.566 3.352 2.480 46 HA CYS 7 HA CYS 7 0.313 0.718 2.873 47 1HB CYS 7 HB2 CYS 7 -0.319 2.821 0.712 48 2HB CYS 7 HB3 CYS 7 -0.962 1.148 0.724 49 H TRP 8 HN TRP 8 3.182 1.910 2.462 50 HA TRP 8 HA TRP 8 3.919 0.169 0.184 51 1HB TRP 8 HB2 TRP 8 5.630 2.326 1.450 52 2HB TRP 8 HB3 TRP 8 6.069 1.199 0.113 53 HD1 TRP 8 HD1 TRP 8 2.940 1.994 -1.386 54 HE1 TRP 8 HE1 TRP 8 2.780 4.350 -2.372 55 HE3 TRP 8 HE3 TRP 8 7.130 3.907 0.647 56 HZ2 TRP 8 HZ2 TRP 8 4.499 6.647 -2.612 57 HZ3 TRP 8 HZ3 TRP 8 7.891 6.214 0.002 58 HH2 TRP 8 HH2 TRP 8 6.576 7.552 -1.606 59 H SER 9 HN SER 9 4.956 -1.673 0.751 60 HA SER 9 HA SER 9 5.845 -3.298 1.831 61 1HB SER 9 HB2 SER 9 7.465 -1.614 2.821 62 2HB SER 9 HB3 SER 9 6.473 -1.617 4.317 63 HG SER 9 HG SER 9 8.217 -3.058 4.367 64 H VAL 10 HN VAL 10 3.221 -3.360 1.607 65 HA VAL 10 HA VAL 10 2.092 -4.159 4.207 66 HB VAL 10 HB VAL 10 1.266 -2.000 3.446 67 1HG1 VAL 10 HG1 VAL 10 1.427 -2.257 0.973 68 2HG1 VAL 10 HG1 VAL 10 -0.022 -3.330 1.006 69 3HG1 VAL 10 HG1 VAL 10 -0.161 -1.631 1.545 70 1HG2 VAL 10 HG2 VAL 10 -0.121 -3.552 4.856 71 2HG2 VAL 10 HG2 VAL 10 -1.132 -2.492 3.807 72 3HG2 VAL 10 HG2 VAL 10 -0.890 -4.217 3.363 73 H CYS 11 HN CYS 11 1.723 -4.410 0.727 74 HA CYS 11 HA CYS 11 1.296 -7.351 0.844 75 1HB CYS 11 HB2 CYS 11 0.412 -5.259 -1.227 76 2HB CYS 11 HB3 CYS 11 0.229 -7.023 -1.462 77 H GLN 12 HN GLN 12 3.580 -4.997 0.367 78 HA GLN 12 HA GLN 12 5.025 -6.217 -1.860 79 1HB GLN 12 HB2 GLN 12 4.526 -3.711 -1.702 80 2HB GLN 12 HB3 GLN 12 5.535 -3.660 -0.216 81 1HG GLN 12 HG2 GLN 12 7.386 -4.670 -1.782 82 2HG GLN 12 HG3 GLN 12 6.207 -4.267 -3.139 83 1HE2 GLN 12 HE2 GLN 12 8.464 -1.336 -3.008 84 2HE2 GLN 12 HE2 GLN 12 8.496 -2.994 -3.512 85 H ARG 13 HN ARG 13 4.877 -5.937 1.512 86 HA ARG 13 HA ARG 13 7.331 -7.203 2.269 87 1HB ARG 13 HB2 ARG 13 6.108 -5.595 3.704 88 2HB ARG 13 HB3 ARG 13 4.702 -6.687 3.795 89 1HG ARG 13 HG2 ARG 13 6.104 -8.357 5.048 90 2HG ARG 13 HG3 ARG 13 7.540 -7.283 4.864 91 1HD ARG 13 HD2 ARG 13 6.406 -5.506 6.203 92 2HD ARG 13 HD3 ARG 13 4.917 -6.513 6.349 93 HE ARG 13 HE ARG 13 7.533 -6.866 7.760 94 1HH1 ARG 13 HH1 ARG 13 4.401 -8.402 6.953 95 2HH1 ARG 13 HH1 ARG 13 4.493 -9.553 8.244 96 1HH2 ARG 13 HH2 ARG 13 7.626 -8.420 9.473 97 2HH2 ARG 13 HH2 ARG 13 6.343 -9.565 9.689 98 H LEU 14 HN LEU 14 3.936 -8.245 1.649 99 HA LEU 14 HA LEU 14 4.411 -10.920 2.689 100 1HB LEU 14 HB2 LEU 14 1.840 -9.573 1.697 101 2HB LEU 14 HB3 LEU 14 1.947 -11.203 2.455 102 HG LEU 14 HG LEU 14 2.665 -8.536 3.802 103 1HD1 LEU 14 HD1 LEU 14 0.226 -8.786 3.346 104 2HD1 LEU 14 HD1 LEU 14 0.223 -10.380 4.191 105 3HD1 LEU 14 HD1 LEU 14 0.584 -8.870 5.112 106 1HD2 LEU 14 HD2 LEU 14 2.559 -11.382 4.989 107 2HD2 LEU 14 HD2 LEU 14 4.027 -10.348 4.797 108 3HD2 LEU 14 HD2 LEU 14 2.725 -9.856 5.933 109 H HIS 15 HN HIS 15 3.147 -9.428 -0.372 110 HA HIS 15 HA HIS 15 3.381 -12.004 -1.737 111 1HB HIS 15 HB2 HIS 15 1.946 -9.470 -2.678 112 2HB HIS 15 HB3 HIS 15 1.876 -11.111 -3.411 113 HD1 HIS 15 HD1 HIS 15 1.167 -12.951 -1.160 114 HD2 HIS 15 HD2 HIS 15 -0.396 -9.057 -1.317 115 HE1 HIS 15 HE1 HIS 15 -0.942 -12.875 0.281 116 H ASN 16 HN ASN 16 5.200 -9.254 -1.236 117 HA ASN 16 HA ASN 16 7.246 -8.963 -1.682 118 1HB ASN 16 HB2 ASN 16 7.226 -10.941 -4.019 119 2HB ASN 16 HB3 ASN 16 8.684 -10.167 -3.302 120 1HD2 ASN 16 HD2 ASN 16 7.378 -13.588 -1.672 121 2HD2 ASN 16 HD2 ASN 16 6.999 -13.023 -3.265 122 H THR 17 HN THR 17 4.980 -8.422 -4.304 123 HA THR 17 HA THR 17 6.442 -5.942 -4.874 124 HB THR 17 HB THR 17 5.622 -6.031 -7.240 125 HG1 THR 17 HG1 THR 17 4.206 -7.819 -6.959 126 1HG2 THR 17 HG2 THR 17 8.013 -6.379 -6.585 127 2HG2 THR 17 HG2 THR 17 7.724 -8.155 -6.446 128 3HG2 THR 17 HG2 THR 17 7.559 -7.335 -8.041 129 H SER 18 HN SER 18 5.232 -4.256 -4.529 130 HA SER 18 HA SER 18 2.666 -4.123 -5.289 131 1HB SER 18 HB2 SER 18 2.127 -5.361 -3.147 132 2HB SER 18 HB3 SER 18 2.680 -3.919 -2.242 133 HG SER 18 HG SER 18 0.591 -4.049 -4.143 134 H LYS 19 HN LYS 19 1.860 -2.165 -5.605 135 HA LYS 19 HA LYS 19 3.214 0.172 -4.433 136 1HB LYS 19 HB2 LYS 19 3.520 0.142 -6.925 137 2HB LYS 19 HB3 LYS 19 1.754 -0.034 -7.148 138 1HG LYS 19 HG2 LYS 19 1.403 2.211 -6.051 139 2HG LYS 19 HG3 LYS 19 3.172 2.335 -5.752 140 1HD LYS 19 HD2 LYS 19 3.587 2.317 -8.213 141 2HD LYS 19 HD3 LYS 19 1.821 2.184 -8.524 142 1HE LYS 19 HE2 LYS 19 3.195 4.535 -7.037 143 2HE LYS 19 HE3 LYS 19 2.677 4.552 -8.775 144 1HZ LYS 19 HZ2 LYS 19 0.899 4.180 -6.422 145 2HZ LYS 19 HZ3 LYS 19 1.081 5.598 -7.341 146 3HZ LYS 19 HZ1 LYS 19 0.419 4.203 -8.051 147 H GLY 20 HN GLY 20 1.871 1.099 -2.955 148 1HA GLY 20 HA1 GLY 20 -1.042 0.567 -3.107 149 2HA GLY 20 HA2 GLY 20 -0.030 0.432 -1.632 150 H TRP 21 HN TRP 21 -2.370 2.194 -2.235 151 HA TRP 21 HA TRP 21 -1.158 4.604 -1.217 152 1HB TRP 21 HB2 TRP 21 -2.658 6.019 -2.637 153 2HB TRP 21 HB3 TRP 21 -1.335 5.232 -3.534 154 HD1 TRP 21 HD1 TRP 21 -5.202 5.184 -3.212 155 HE1 TRP 21 HE1 TRP 21 -6.199 3.831 -5.156 156 HE3 TRP 21 HE3 TRP 21 -0.848 3.478 -5.242 157 HZ2 TRP 21 HZ2 TRP 21 -5.230 2.303 -7.354 158 HZ3 TRP 21 HZ3 TRP 21 -0.933 2.102 -7.293 159 HH2 TRP 21 HH2 TRP 21 -3.088 1.548 -8.355 160 H CYS 22 HN CYS 22 -3.035 5.984 -0.375 161 HA CYS 22 HA CYS 22 -4.736 4.209 1.243 162 1HB CYS 22 HB2 CYS 22 -2.851 5.555 2.266 163 2HB CYS 22 HB3 CYS 22 -3.616 7.050 1.719 164 H ASP 23 HN ASP 23 -6.950 4.320 0.839 165 HA ASP 23 HA ASP 23 -8.025 6.537 -0.740 166 1HB ASP 23 HB2 ASP 23 -8.780 3.618 -0.248 167 2HB ASP 23 HB3 ASP 23 -10.072 4.795 -0.711 168 H HIS 24 HN HIS 24 -9.746 4.523 1.695 169 HA HIS 24 HA HIS 24 -10.225 6.866 3.363 170 1HB HIS 24 HB2 HIS 24 -12.478 5.324 1.916 171 2HB HIS 24 HB3 HIS 24 -12.726 6.550 3.210 172 HD1 HIS 24 HD1 HIS 24 -11.749 9.065 2.528 173 HD2 HIS 24 HD2 HIS 24 -12.440 6.401 -0.642 174 HE1 HIS 24 HE1 HIS 24 -11.868 10.413 0.361 175 H ARG 25 HN ARG 25 -11.032 3.455 2.579 176 HA ARG 25 HA ARG 25 -11.668 2.793 5.254 177 1HB ARG 25 HB2 ARG 25 -11.517 1.065 2.723 178 2HB ARG 25 HB3 ARG 25 -12.294 0.595 4.277 179 1HG ARG 25 HG2 ARG 25 -13.155 2.884 2.394 180 2HG ARG 25 HG3 ARG 25 -13.910 1.275 2.526 181 1HD ARG 25 HD2 ARG 25 -13.827 3.426 4.757 182 2HD ARG 25 HD3 ARG 25 -15.251 3.021 3.736 183 HE ARG 25 HE ARG 25 -14.096 1.442 6.000 184 1HH1 ARG 25 HH2 ARG 25 -17.268 0.031 3.847 185 2HH1 ARG 25 HH2 ARG 25 -16.370 1.381 3.236 186 1HH2 ARG 25 HH1 ARG 25 -16.663 -0.967 5.884 187 2HH2 ARG 25 HH1 ARG 25 -15.315 -0.358 6.787 188 H GLY 26 HN GLY 26 -8.819 2.471 3.146 189 1HA GLY 26 HA1 GLY 26 -7.060 1.723 5.096 190 2HA GLY 26 HA2 GLY 26 -7.702 0.196 4.350 191 H CYS 27 HN CYS 27 -5.632 -0.216 3.531 192 HA CYS 27 HA CYS 27 -4.505 1.510 1.487 193 1HB CYS 27 HB2 CYS 27 -3.592 -1.137 2.764 194 2HB CYS 27 HB3 CYS 27 -2.682 -0.322 1.448 195 H ILE 28 HN ILE 28 -3.797 0.639 -0.514 196 HA ILE 28 HA ILE 28 -5.614 -1.231 -1.850 197 HB ILE 28 HB ILE 28 -4.090 1.249 -2.867 198 1HG1 ILE 28 HG1 ILE 28 -6.188 1.715 -1.463 199 2HG1 ILE 28 HG1 ILE 28 -6.169 2.352 -3.121 200 1HG2 ILE 28 HG2 ILE 28 -5.779 -0.840 -4.374 201 2HG2 ILE 28 HG2 ILE 28 -5.350 0.789 -5.023 202 3HG2 ILE 28 HG2 ILE 28 -4.051 -0.392 -4.647 203 1HD1 ILE 28 HD1 ILE 28 -7.602 -0.272 -2.374 204 2HD1 ILE 28 HD1 ILE 28 -8.376 1.352 -2.404 205 3HD1 ILE 28 HD1 ILE 28 -7.703 0.660 -3.927 206 H CYS 29 HN CYS 29 -4.496 -2.939 -3.033 207 HA CYS 29 HA CYS 29 -1.565 -2.928 -2.906 208 1HB CYS 29 HB2 CYS 29 -3.541 -5.226 -2.297 209 2HB CYS 29 HB3 CYS 29 -1.807 -5.444 -2.647 210 H GLU 30 HN GLU 30 -0.803 -2.857 -4.902 211 HA GLU 30 HA GLU 30 -2.176 -4.250 -7.118 212 1HB GLU 30 HB2 GLU 30 -0.329 -1.793 -7.276 213 2HB GLU 30 HB3 GLU 30 -1.146 -2.611 -8.655 214 1HG GLU 30 HG2 GLU 30 -2.522 -1.044 -6.382 215 2HG GLU 30 HG3 GLU 30 -2.231 -0.496 -8.070 216 H SER 31 HN SER 31 0.147 -3.908 -8.765 217 HA SER 31 HA SER 31 2.153 -5.689 -7.518 218 1HB SER 31 HB2 SER 31 1.643 -5.003 -10.474 219 2HB SER 31 HB3 SER 31 2.959 -6.071 -9.847 220 HG SER 31 HG SER 31 1.142 -7.208 -10.556 No H/Q in entry = 220 Start of MODEL 12 1 1H CYS 1 HT1 CYS 1 -3.481 3.218 8.553 2 2H CYS 1 HT3 CYS 1 -4.517 3.163 7.208 3 3H CYS 1 HT2 CYS 1 -3.208 2.087 7.314 4 HA CYS 1 HA CYS 1 -1.673 3.867 7.197 5 1HB CYS 1 HB2 CYS 1 -1.970 4.474 4.774 6 2HB CYS 1 HB3 CYS 1 -2.217 2.759 5.141 7 H THR 2 HN THR 2 -1.383 6.158 6.195 8 HA THR 2 HA THR 2 -3.430 8.059 6.954 9 HB THR 2 HB THR 2 -2.163 7.745 9.044 10 HG1 THR 2 HG1 THR 2 -1.613 9.891 9.341 11 1HG2 THR 2 HG2 THR 2 0.051 7.037 8.065 12 2HG2 THR 2 HG2 THR 2 0.335 8.726 7.501 13 3HG2 THR 2 HG2 THR 2 0.204 8.373 9.257 14 H THR 3 HN THR 3 -0.466 7.031 5.328 15 HA THR 3 HA THR 3 -0.741 9.200 3.350 16 HB THR 3 HB THR 3 1.791 9.018 3.051 17 HG1 THR 3 HG1 THR 3 2.033 7.099 4.273 18 1HG2 THR 3 HG2 THR 3 0.654 10.946 4.168 19 2HG2 THR 3 HG2 THR 3 0.770 10.102 5.757 20 3HG2 THR 3 HG2 THR 3 2.268 10.590 4.885 21 H SER 4 HN SER 4 0.260 8.543 1.263 22 HA SER 4 HA SER 4 -0.673 6.090 0.257 23 1HB SER 4 HB2 SER 4 1.076 8.258 -1.017 24 2HB SER 4 HB3 SER 4 0.278 6.892 -1.897 25 HG SER 4 HG SER 4 -0.903 8.795 -1.959 26 H LYS 5 HN LYS 5 2.419 7.195 1.511 27 HA LYS 5 HA LYS 5 4.040 5.158 0.305 28 1HB LYS 5 HB2 LYS 5 4.796 7.277 2.390 29 2HB LYS 5 HB3 LYS 5 5.913 6.298 1.362 30 1HG LYS 5 HG2 LYS 5 4.879 7.394 -0.675 31 2HG LYS 5 HG3 LYS 5 3.914 8.444 0.421 32 1HD LYS 5 HD2 LYS 5 6.059 9.266 1.471 33 2HD LYS 5 HD3 LYS 5 6.988 8.320 0.257 34 1HE LYS 5 HE2 LYS 5 4.983 10.606 -0.369 35 2HE LYS 5 HE3 LYS 5 6.789 10.741 -0.393 36 1HZ LYS 5 HZ1 LYS 5 5.143 8.967 -2.119 37 2HZ LYS 5 HZ2 LYS 5 5.874 10.431 -2.575 38 3HZ LYS 5 HZ3 LYS 5 6.836 9.100 -2.142 39 H GLU 6 HN GLU 6 1.869 4.929 2.736 40 HA GLU 6 HA GLU 6 3.412 3.222 4.541 41 1HB GLU 6 HB2 GLU 6 1.984 5.089 5.469 42 2HB GLU 6 HB3 GLU 6 0.544 4.334 4.739 43 1HG GLU 6 HG2 GLU 6 0.699 3.874 7.169 44 2HG GLU 6 HG3 GLU 6 0.807 2.340 6.242 45 H CYS 7 HN CYS 7 1.421 3.205 1.740 46 HA CYS 7 HA CYS 7 0.496 0.445 2.090 47 1HB CYS 7 HB2 CYS 7 -0.334 2.588 0.063 48 2HB CYS 7 HB3 CYS 7 -1.021 0.940 0.162 49 H TRP 8 HN TRP 8 3.305 1.709 1.235 50 HA TRP 8 HA TRP 8 3.734 0.377 -1.341 51 1HB TRP 8 HB2 TRP 8 5.525 2.183 0.348 52 2HB TRP 8 HB3 TRP 8 6.019 1.406 -1.194 53 HD1 TRP 8 HD1 TRP 8 2.520 2.734 -1.743 54 HE1 TRP 8 HE1 TRP 8 2.635 5.080 -2.703 55 HE3 TRP 8 HE3 TRP 8 7.491 3.467 -1.183 56 HZ2 TRP 8 HZ2 TRP 8 4.732 6.889 -3.578 57 HZ3 TRP 8 HZ3 TRP 8 8.546 5.518 -2.140 58 HH2 TRP 8 HH2 TRP 8 7.176 7.195 -3.324 59 H SER 9 HN SER 9 4.181 0.025 2.110 60 HA SER 9 HA SER 9 5.699 -2.481 1.772 61 1HB SER 9 HB2 SER 9 6.894 -1.922 3.935 62 2HB SER 9 HB3 SER 9 7.337 -0.896 2.529 63 HG SER 9 HG SER 9 5.911 0.680 3.303 64 H VAL 10 HN VAL 10 3.136 -2.873 1.587 65 HA VAL 10 HA VAL 10 2.188 -3.573 4.275 66 HB VAL 10 HB VAL 10 1.203 -1.435 3.358 67 1HG1 VAL 10 HG1 VAL 10 0.817 -2.182 0.967 68 2HG1 VAL 10 HG1 VAL 10 -0.511 -3.239 1.579 69 3HG1 VAL 10 HG1 VAL 10 -0.618 -1.467 1.778 70 1HG2 VAL 10 HG2 VAL 10 0.298 -2.759 5.277 71 2HG2 VAL 10 HG2 VAL 10 -1.028 -2.008 4.317 72 3HG2 VAL 10 HG2 VAL 10 -0.678 -3.765 4.139 73 H CYS 11 HN CYS 11 1.757 -3.957 0.783 74 HA CYS 11 HA CYS 11 1.187 -6.845 1.058 75 1HB CYS 11 HB2 CYS 11 0.626 -4.886 -1.232 76 2HB CYS 11 HB3 CYS 11 0.344 -6.656 -1.328 77 H GLN 12 HN GLN 12 3.777 -4.794 0.566 78 HA GLN 12 HA GLN 12 5.260 -6.546 -1.261 79 1HB GLN 12 HB2 GLN 12 5.417 -4.090 -1.541 80 2HB GLN 12 HB3 GLN 12 5.927 -3.898 0.162 81 1HG GLN 12 HG2 GLN 12 8.061 -5.119 -0.316 82 2HG GLN 12 HG3 GLN 12 7.516 -5.425 -2.010 83 1HE2 GLN 12 HE2 GLN 12 8.796 -1.634 -0.795 84 2HE2 GLN 12 HE2 GLN 12 8.398 -2.854 0.369 85 H ARG 13 HN ARG 13 4.778 -5.616 2.070 86 HA ARG 13 HA ARG 13 6.918 -7.046 3.295 87 1HB ARG 13 HB2 ARG 13 6.007 -4.858 4.075 88 2HB ARG 13 HB3 ARG 13 4.411 -5.606 4.349 89 1HG ARG 13 HG2 ARG 13 5.457 -7.046 6.178 90 2HG ARG 13 HG3 ARG 13 7.042 -6.275 5.824 91 1HD ARG 13 HD2 ARG 13 5.978 -5.214 7.809 92 2HD ARG 13 HD3 ARG 13 6.069 -4.024 6.432 93 HE ARG 13 HE ARG 13 3.544 -5.520 6.416 94 1HH1 ARG 13 HH1 ARG 13 5.197 -2.805 8.053 95 2HH1 ARG 13 HH1 ARG 13 3.725 -1.991 8.469 96 1HH2 ARG 13 HH2 ARG 13 1.587 -4.411 6.984 97 2HH2 ARG 13 HH2 ARG 13 1.650 -2.914 7.855 98 H LEU 14 HN LEU 14 3.516 -7.634 2.427 99 HA LEU 14 HA LEU 14 3.319 -10.004 4.131 100 1HB LEU 14 HB2 LEU 14 1.582 -8.240 4.325 101 2HB LEU 14 HB3 LEU 14 1.166 -8.447 2.603 102 HG LEU 14 HG LEU 14 0.419 -10.799 3.076 103 1HD1 LEU 14 HD1 LEU 14 1.019 -10.133 6.032 104 2HD1 LEU 14 HD1 LEU 14 0.095 -11.564 5.441 105 3HD1 LEU 14 HD1 LEU 14 1.837 -11.392 5.031 106 1HD2 LEU 14 HD2 LEU 14 -1.179 -8.883 3.135 107 2HD2 LEU 14 HD2 LEU 14 -1.653 -10.192 4.281 108 3HD2 LEU 14 HD2 LEU 14 -0.882 -8.683 4.901 109 H HIS 15 HN HIS 15 2.666 -8.962 0.684 110 HA HIS 15 HA HIS 15 2.744 -11.778 -0.137 111 1HB HIS 15 HB2 HIS 15 1.503 -9.441 -1.662 112 2HB HIS 15 HB3 HIS 15 1.394 -11.210 -2.020 113 HD1 HIS 15 HD1 HIS 15 0.338 -12.542 0.351 114 HD2 HIS 15 HD2 HIS 15 -0.812 -8.608 -0.546 115 HE1 HIS 15 HE1 HIS 15 -1.886 -12.077 1.521 116 H ASN 16 HN ASN 16 3.133 -9.505 -2.753 117 HA ASN 16 HA ASN 16 5.973 -9.576 -2.840 118 1HB ASN 16 HB2 ASN 16 5.195 -12.086 -3.254 119 2HB ASN 16 HB3 ASN 16 4.417 -11.489 -4.745 120 1HD2 ASN 16 HD2 ASN 16 7.472 -12.013 -6.515 121 2HD2 ASN 16 HD2 ASN 16 5.740 -12.033 -6.485 122 H THR 17 HN THR 17 4.113 -7.437 -3.057 123 HA THR 17 HA THR 17 3.993 -6.872 -5.938 124 HB THR 17 HB THR 17 1.920 -5.654 -5.519 125 HG1 THR 17 HG1 THR 17 2.235 -5.257 -3.313 126 1HG2 THR 17 HG2 THR 17 1.927 -8.066 -6.262 127 2HG2 THR 17 HG2 THR 17 1.837 -8.604 -4.554 128 3HG2 THR 17 HG2 THR 17 0.478 -7.656 -5.271 129 H SER 18 HN SER 18 3.285 -4.140 -5.510 130 HA SER 18 HA SER 18 5.868 -3.094 -4.496 131 1HB SER 18 HB2 SER 18 4.371 -2.360 -7.066 132 2HB SER 18 HB3 SER 18 5.826 -1.492 -6.414 133 HG SER 18 HG SER 18 5.659 -4.216 -7.148 134 H LYS 19 HN LYS 19 3.692 -0.989 -5.951 135 HA LYS 19 HA LYS 19 3.645 0.671 -3.632 136 1HB LYS 19 HB2 LYS 19 2.634 1.107 -6.496 137 2HB LYS 19 HB3 LYS 19 2.809 2.408 -5.259 138 1HG LYS 19 HG2 LYS 19 5.126 0.759 -6.423 139 2HG LYS 19 HG3 LYS 19 4.637 2.424 -6.880 140 1HD LYS 19 HD2 LYS 19 5.052 3.187 -4.518 141 2HD LYS 19 HD3 LYS 19 5.606 1.534 -4.089 142 1HE LYS 19 HE2 LYS 19 7.550 2.975 -4.455 143 2HE LYS 19 HE3 LYS 19 7.482 1.736 -5.777 144 1HZ LYS 19 HZ3 LYS 19 6.549 4.557 -5.948 145 2HZ LYS 19 HZ1 LYS 19 7.982 3.924 -6.603 146 3HZ LYS 19 HZ2 LYS 19 6.475 3.404 -7.192 147 H GLY 20 HN GLY 20 1.569 2.275 -3.779 148 1HA GLY 20 HA1 GLY 20 -0.993 1.162 -3.874 149 2HA GLY 20 HA2 GLY 20 -0.287 1.024 -2.217 150 H TRP 21 HN TRP 21 -2.507 2.589 -2.424 151 HA TRP 21 HA TRP 21 -1.372 5.024 -1.451 152 1HB TRP 21 HB2 TRP 21 -3.153 6.413 -2.556 153 2HB TRP 21 HB3 TRP 21 -1.843 5.857 -3.628 154 HD1 TRP 21 HD1 TRP 21 -5.656 5.377 -3.003 155 HE1 TRP 21 HE1 TRP 21 -6.692 4.107 -4.976 156 HE3 TRP 21 HE3 TRP 21 -1.367 4.330 -5.557 157 HZ2 TRP 21 HZ2 TRP 21 -5.791 2.860 -7.376 158 HZ3 TRP 21 HZ3 TRP 21 -1.508 3.088 -7.687 159 HH2 TRP 21 HH2 TRP 21 -3.687 2.361 -8.588 160 H CYS 22 HN CYS 22 -3.172 6.168 -0.206 161 HA CYS 22 HA CYS 22 -4.553 4.107 1.369 162 1HB CYS 22 HB2 CYS 22 -2.732 5.467 2.384 163 2HB CYS 22 HB3 CYS 22 -3.623 6.964 2.049 164 H ASP 23 HN ASP 23 -6.689 3.898 0.941 165 HA ASP 23 HA ASP 23 -8.373 6.252 0.429 166 1HB ASP 23 HB2 ASP 23 -8.526 3.234 -0.184 167 2HB ASP 23 HB3 ASP 23 -10.008 4.236 -0.216 168 H HIS 24 HN HIS 24 -10.687 5.650 1.547 169 HA HIS 24 HA HIS 24 -10.129 5.461 4.368 170 1HB HIS 24 HB2 HIS 24 -12.703 6.208 2.887 171 2HB HIS 24 HB3 HIS 24 -12.383 6.420 4.649 172 HD1 HIS 24 HD1 HIS 24 -10.047 7.987 5.075 173 HD2 HIS 24 HD2 HIS 24 -12.106 8.504 1.452 174 HE1 HIS 24 HE1 HIS 24 -9.354 10.233 4.072 175 H ARG 25 HN ARG 25 -10.271 3.017 2.479 176 HA ARG 25 HA ARG 25 -12.076 1.326 4.035 177 1HB ARG 25 HB2 ARG 25 -11.669 -0.319 2.120 178 2HB ARG 25 HB3 ARG 25 -12.601 1.151 1.709 179 1HG ARG 25 HG2 ARG 25 -10.803 2.207 0.585 180 2HG ARG 25 HG3 ARG 25 -9.583 1.017 1.141 181 1HD ARG 25 HD2 ARG 25 -11.960 0.294 -0.703 182 2HD ARG 25 HD3 ARG 25 -10.295 0.760 -1.271 183 HE ARG 25 HE ARG 25 -10.221 -1.370 0.754 184 1HH1 ARG 25 HH2 ARG 25 -10.762 -0.773 -2.730 185 2HH1 ARG 25 HH2 ARG 25 -10.263 -2.360 -3.211 186 1HH2 ARG 25 HH1 ARG 25 -9.555 -3.490 0.083 187 2HH2 ARG 25 HH1 ARG 25 -9.569 -3.922 -1.595 188 H GLY 26 HN GLY 26 -8.731 2.173 3.204 189 1HA GLY 26 HA1 GLY 26 -7.200 1.173 5.017 190 2HA GLY 26 HA2 GLY 26 -7.627 -0.345 4.121 191 H CYS 27 HN CYS 27 -5.487 -0.540 3.398 192 HA CYS 27 HA CYS 27 -4.435 1.391 1.483 193 1HB CYS 27 HB2 CYS 27 -3.413 -1.272 2.613 194 2HB CYS 27 HB3 CYS 27 -2.614 -0.510 1.203 195 H ILE 28 HN ILE 28 -4.296 1.176 -0.616 196 HA ILE 28 HA ILE 28 -5.511 -0.998 -2.118 197 HB ILE 28 HB ILE 28 -4.269 1.670 -3.008 198 1HG1 ILE 28 HG1 ILE 28 -6.363 1.898 -1.600 199 2HG1 ILE 28 HG1 ILE 28 -6.474 2.518 -3.262 200 1HG2 ILE 28 HG2 ILE 28 -5.734 -0.542 -4.568 201 2HG2 ILE 28 HG2 ILE 28 -5.464 1.136 -5.176 202 3HG2 ILE 28 HG2 ILE 28 -4.056 0.076 -4.824 203 1HD1 ILE 28 HD1 ILE 28 -7.623 -0.198 -2.371 204 2HD1 ILE 28 HD1 ILE 28 -8.541 1.341 -2.551 205 3HD1 ILE 28 HD1 ILE 28 -7.792 0.585 -3.999 206 H CYS 29 HN CYS 29 -4.152 -2.496 -3.279 207 HA CYS 29 HA CYS 29 -1.238 -2.226 -2.929 208 1HB CYS 29 HB2 CYS 29 -3.102 -4.660 -2.631 209 2HB CYS 29 HB3 CYS 29 -1.323 -4.772 -2.818 210 H GLU 30 HN GLU 30 -0.422 -1.811 -4.917 211 HA GLU 30 HA GLU 30 -1.506 -3.182 -7.294 212 1HB GLU 30 HB2 GLU 30 0.209 -0.631 -7.122 213 2HB GLU 30 HB3 GLU 30 -0.423 -1.386 -8.623 214 1HG GLU 30 HG2 GLU 30 -2.103 -0.092 -6.372 215 2HG GLU 30 HG3 GLU 30 -1.711 0.622 -7.975 216 H SER 31 HN SER 31 0.004 -4.192 -8.649 217 HA SER 31 HA SER 31 2.512 -5.051 -7.374 218 1HB SER 31 HB2 SER 31 0.841 -6.781 -8.183 219 2HB SER 31 HB3 SER 31 1.083 -6.165 -9.858 220 HG SER 31 HG SER 31 3.318 -6.647 -9.554 No H/Q in entry = 220 Start of MODEL 13 1 1H CYS 1 HT3 CYS 1 -2.710 5.142 9.160 2 2H CYS 1 HT2 CYS 1 -4.083 4.986 8.172 3 3H CYS 1 HT1 CYS 1 -2.848 3.821 8.101 4 HA CYS 1 HA CYS 1 -1.326 5.416 7.276 5 1HB CYS 1 HB2 CYS 1 -2.200 5.586 4.971 6 2HB CYS 1 HB3 CYS 1 -2.659 4.031 5.695 7 H THR 2 HN THR 2 -1.615 7.541 5.601 8 HA THR 2 HA THR 2 -3.427 9.490 6.640 9 HB THR 2 HB THR 2 -1.595 9.793 8.190 10 HG1 THR 2 HG1 THR 2 -1.249 11.973 7.805 11 1HG2 THR 2 HG2 THR 2 0.323 8.969 6.857 12 2HG2 THR 2 HG2 THR 2 0.225 10.407 5.773 13 3HG2 THR 2 HG2 THR 2 0.632 10.612 7.510 14 H THR 3 HN THR 3 -0.775 8.587 4.251 15 HA THR 3 HA THR 3 -2.008 10.360 2.306 16 HB THR 3 HB THR 3 0.872 9.555 2.887 17 HG1 THR 3 HG1 THR 3 -0.529 12.002 3.063 18 1HG2 THR 3 HG2 THR 3 -0.384 11.339 0.703 19 2HG2 THR 3 HG2 THR 3 1.383 11.299 1.109 20 3HG2 THR 3 HG2 THR 3 0.584 9.832 0.460 21 H SER 4 HN SER 4 0.306 7.587 2.252 22 HA SER 4 HA SER 4 -1.012 5.993 0.369 23 1HB SER 4 HB2 SER 4 0.983 8.050 -0.825 24 2HB SER 4 HB3 SER 4 0.472 6.539 -1.668 25 HG SER 4 HG SER 4 -1.642 7.291 -1.586 26 H LYS 5 HN LYS 5 2.034 7.363 1.698 27 HA LYS 5 HA LYS 5 3.658 5.191 0.919 28 1HB LYS 5 HB2 LYS 5 4.320 7.510 2.810 29 2HB LYS 5 HB3 LYS 5 5.470 6.467 1.886 30 1HG LYS 5 HG2 LYS 5 4.422 7.366 -0.252 31 2HG LYS 5 HG3 LYS 5 3.450 8.499 0.751 32 1HD LYS 5 HD2 LYS 5 5.583 9.434 1.718 33 2HD LYS 5 HD3 LYS 5 6.526 8.384 0.603 34 1HE LYS 5 HE2 LYS 5 4.504 10.581 -0.246 35 2HE LYS 5 HE3 LYS 5 6.309 10.730 -0.277 36 1HZ LYS 5 HZ3 LYS 5 4.685 8.782 -1.830 37 2HZ LYS 5 HZ1 LYS 5 5.406 10.202 -2.423 38 3HZ LYS 5 HZ2 LYS 5 6.377 8.927 -1.859 39 H GLU 6 HN GLU 6 1.393 5.058 3.190 40 HA GLU 6 HA GLU 6 2.883 3.569 5.239 41 1HB GLU 6 HB2 GLU 6 0.095 4.882 5.309 42 2HB GLU 6 HB3 GLU 6 0.794 3.863 6.617 43 1HG GLU 6 HG2 GLU 6 1.008 6.116 7.316 44 2HG GLU 6 HG3 GLU 6 2.662 5.530 6.912 45 H CYS 7 HN CYS 7 1.377 3.200 2.330 46 HA CYS 7 HA CYS 7 0.329 0.505 2.895 47 1HB CYS 7 HB2 CYS 7 -0.412 2.456 0.623 48 2HB CYS 7 HB3 CYS 7 -1.002 0.779 0.757 49 H TRP 8 HN TRP 8 3.127 1.756 2.406 50 HA TRP 8 HA TRP 8 3.950 0.067 0.125 51 1HB TRP 8 HB2 TRP 8 5.547 2.308 1.441 52 2HB TRP 8 HB3 TRP 8 6.046 1.233 0.087 53 HD1 TRP 8 HD1 TRP 8 2.572 2.346 -0.876 54 HE1 TRP 8 HE1 TRP 8 2.599 4.592 -2.019 55 HE3 TRP 8 HE3 TRP 8 7.450 3.454 -0.103 56 HZ2 TRP 8 HZ2 TRP 8 4.626 6.461 -2.935 57 HZ3 TRP 8 HZ3 TRP 8 8.429 5.479 -1.186 58 HH2 TRP 8 HH2 TRP 8 7.027 6.951 -2.586 59 H SER 9 HN SER 9 5.082 -1.725 0.721 60 HA SER 9 HA SER 9 5.985 -3.327 1.835 61 1HB SER 9 HB2 SER 9 7.589 -1.617 2.780 62 2HB SER 9 HB3 SER 9 6.614 -1.613 4.287 63 HG SER 9 HG SER 9 8.374 -3.039 4.330 64 H VAL 10 HN VAL 10 3.328 -3.353 1.662 65 HA VAL 10 HA VAL 10 2.305 -4.270 4.271 66 HB VAL 10 HB VAL 10 1.474 -2.054 3.528 67 1HG1 VAL 10 HG1 VAL 10 1.286 -2.450 1.056 68 2HG1 VAL 10 HG1 VAL 10 -0.136 -3.510 1.372 69 3HG1 VAL 10 HG1 VAL 10 -0.206 -1.780 1.814 70 1HG2 VAL 10 HG2 VAL 10 0.297 -3.531 5.180 71 2HG2 VAL 10 HG2 VAL 10 -0.867 -2.555 4.210 72 3HG2 VAL 10 HG2 VAL 10 -0.633 -4.301 3.837 73 H CYS 11 HN CYS 11 1.956 -4.415 0.774 74 HA CYS 11 HA CYS 11 1.348 -7.320 0.831 75 1HB CYS 11 HB2 CYS 11 0.742 -5.197 -1.307 76 2HB CYS 11 HB3 CYS 11 0.433 -6.954 -1.501 77 H GLN 12 HN GLN 12 3.878 -5.195 0.513 78 HA GLN 12 HA GLN 12 5.309 -6.555 -1.645 79 1HB GLN 12 HB2 GLN 12 5.307 -4.173 -1.745 80 2HB GLN 12 HB3 GLN 12 5.692 -4.004 -0.015 81 1HG GLN 12 HG2 GLN 12 8.008 -4.808 -0.397 82 2HG GLN 12 HG3 GLN 12 7.629 -5.161 -2.128 83 1HE2 GLN 12 HE2 GLN 12 8.315 -1.835 -3.153 84 2HE2 GLN 12 HE2 GLN 12 8.176 -3.519 -3.542 85 H ARG 13 HN ARG 13 4.930 -6.355 1.789 86 HA ARG 13 HA ARG 13 7.327 -7.765 2.542 87 1HB ARG 13 HB2 ARG 13 6.366 -5.877 3.823 88 2HB ARG 13 HB3 ARG 13 4.881 -6.802 4.158 89 1HG ARG 13 HG2 ARG 13 7.630 -7.902 4.994 90 2HG ARG 13 HG3 ARG 13 6.891 -6.531 5.886 91 1HD ARG 13 HD2 ARG 13 4.829 -7.911 6.373 92 2HD ARG 13 HD3 ARG 13 5.605 -9.320 5.566 93 HE ARG 13 HE ARG 13 7.134 -9.574 7.332 94 1HH1 ARG 13 HH2 ARG 13 5.213 -6.602 7.871 95 2HH1 ARG 13 HH2 ARG 13 5.724 -6.424 9.518 96 1HH2 ARG 13 HH1 ARG 13 7.796 -9.308 9.532 97 2HH2 ARG 13 HH1 ARG 13 7.206 -7.977 10.471 98 H LEU 14 HN LEU 14 3.891 -8.421 1.846 99 HA LEU 14 HA LEU 14 4.053 -11.145 2.933 100 1HB LEU 14 HB2 LEU 14 1.631 -9.442 2.134 101 2HB LEU 14 HB3 LEU 14 1.557 -11.118 2.785 102 HG LEU 14 HG LEU 14 2.661 -8.662 4.263 103 1HD1 LEU 14 HD1 LEU 14 0.195 -8.556 3.878 104 2HD1 LEU 14 HD1 LEU 14 0.002 -10.184 4.627 105 3HD1 LEU 14 HD1 LEU 14 0.589 -8.798 5.622 106 1HD2 LEU 14 HD2 LEU 14 2.172 -11.536 5.283 107 2HD2 LEU 14 HD2 LEU 14 3.776 -10.735 5.078 108 3HD2 LEU 14 HD2 LEU 14 2.614 -10.114 6.301 109 H HIS 15 HN HIS 15 2.617 -9.460 0.044 110 HA HIS 15 HA HIS 15 2.265 -12.076 -1.184 111 1HB HIS 15 HB2 HIS 15 0.952 -9.397 -1.847 112 2HB HIS 15 HB3 HIS 15 0.502 -11.015 -2.501 113 HD1 HIS 15 HD1 HIS 15 0.220 -12.766 -0.061 114 HD2 HIS 15 HD2 HIS 15 -0.946 -8.740 -0.018 115 HE1 HIS 15 HE1 HIS 15 -1.457 -12.444 1.840 116 H ASN 16 HN ASN 16 4.576 -9.654 -1.511 117 HA ASN 16 HA ASN 16 6.340 -9.661 -2.733 118 1HB ASN 16 HB2 ASN 16 5.757 -12.154 -3.220 119 2HB ASN 16 HB3 ASN 16 5.176 -11.586 -4.819 120 1HD2 ASN 16 HD2 ASN 16 8.481 -11.874 -6.126 121 2HD2 ASN 16 HD2 ASN 16 6.767 -11.986 -6.355 122 H THR 17 HN THR 17 4.152 -7.696 -3.206 123 HA THR 17 HA THR 17 4.368 -7.097 -6.059 124 HB THR 17 HB THR 17 2.212 -5.979 -5.763 125 HG1 THR 17 HG1 THR 17 2.380 -5.529 -3.558 126 1HG2 THR 17 HG2 THR 17 2.418 -8.382 -6.483 127 2HG2 THR 17 HG2 THR 17 2.314 -8.925 -4.782 128 3HG2 THR 17 HG2 THR 17 0.908 -8.089 -5.543 129 H SER 18 HN SER 18 3.469 -4.386 -5.687 130 HA SER 18 HA SER 18 6.048 -3.210 -4.829 131 1HB SER 18 HB2 SER 18 4.191 -2.385 -7.108 132 2HB SER 18 HB3 SER 18 5.688 -1.502 -6.592 133 HG SER 18 HG SER 18 5.984 -2.937 -8.312 134 H LYS 19 HN LYS 19 3.637 -1.089 -5.805 135 HA LYS 19 HA LYS 19 3.832 0.290 -3.269 136 1HB LYS 19 HB2 LYS 19 2.825 1.096 -6.050 137 2HB LYS 19 HB3 LYS 19 2.951 2.248 -4.671 138 1HG LYS 19 HG2 LYS 19 5.337 0.764 -5.899 139 2HG LYS 19 HG3 LYS 19 4.839 2.458 -6.228 140 1HD LYS 19 HD2 LYS 19 5.103 3.018 -3.806 141 2HD LYS 19 HD3 LYS 19 5.696 1.357 -3.470 142 1HE LYS 19 HE2 LYS 19 7.060 3.402 -5.349 143 2HE LYS 19 HE3 LYS 19 7.562 2.999 -3.656 144 1HZ LYS 19 HZ1 LYS 19 7.939 0.736 -4.359 145 2HZ LYS 19 HZ2 LYS 19 7.464 1.106 -5.947 146 3HZ LYS 19 HZ3 LYS 19 8.855 1.823 -5.288 147 H GLY 20 HN GLY 20 1.828 1.960 -3.136 148 1HA GLY 20 HA1 GLY 20 -0.768 0.805 -3.298 149 2HA GLY 20 HA2 GLY 20 -0.036 0.803 -1.645 150 H TRP 21 HN TRP 21 -2.363 2.305 -2.285 151 HA TRP 21 HA TRP 21 -1.343 4.798 -1.287 152 1HB TRP 21 HB2 TRP 21 -3.063 6.106 -2.507 153 2HB TRP 21 HB3 TRP 21 -1.761 5.490 -3.554 154 HD1 TRP 21 HD1 TRP 21 -5.552 4.945 -2.827 155 HE1 TRP 21 HE1 TRP 21 -6.616 3.727 -4.823 156 HE3 TRP 21 HE3 TRP 21 -1.308 4.077 -5.503 157 HZ2 TRP 21 HZ2 TRP 21 -5.738 2.542 -7.259 158 HZ3 TRP 21 HZ3 TRP 21 -1.476 2.948 -7.694 159 HH2 TRP 21 HH2 TRP 21 -3.655 2.179 -8.561 160 H CYS 22 HN CYS 22 -3.469 5.917 -0.294 161 HA CYS 22 HA CYS 22 -4.998 3.763 1.037 162 1HB CYS 22 HB2 CYS 22 -3.070 5.152 2.307 163 2HB CYS 22 HB3 CYS 22 -4.332 6.388 2.460 164 H ASP 23 HN ASP 23 -7.190 3.935 0.898 165 HA ASP 23 HA ASP 23 -8.325 6.250 -0.474 166 1HB ASP 23 HB2 ASP 23 -9.053 3.300 -0.117 167 2HB ASP 23 HB3 ASP 23 -10.346 4.491 -0.548 168 H HIS 24 HN HIS 24 -9.993 4.057 1.828 169 HA HIS 24 HA HIS 24 -10.454 6.264 3.679 170 1HB HIS 24 HB2 HIS 24 -12.765 4.798 2.237 171 2HB HIS 24 HB3 HIS 24 -12.929 5.967 3.597 172 HD1 HIS 24 HD1 HIS 24 -12.417 5.841 -0.136 173 HD2 HIS 24 HD2 HIS 24 -12.471 8.709 2.927 174 HE1 HIS 24 HE1 HIS 24 -12.563 8.154 -1.213 175 H ARG 25 HN ARG 25 -11.210 2.899 2.668 176 HA ARG 25 HA ARG 25 -11.812 2.039 5.286 177 1HB ARG 25 HB2 ARG 25 -11.608 0.472 2.659 178 2HB ARG 25 HB3 ARG 25 -12.389 -0.097 4.177 179 1HG ARG 25 HG2 ARG 25 -13.274 2.260 2.392 180 2HG ARG 25 HG3 ARG 25 -14.015 0.638 2.469 181 1HD ARG 25 HD2 ARG 25 -13.958 2.718 4.769 182 2HD ARG 25 HD3 ARG 25 -15.379 2.294 3.722 183 HE ARG 25 HE ARG 25 -14.442 -0.151 4.853 184 1HH1 ARG 25 HH1 ARG 25 -16.565 2.209 7.430 185 2HH1 ARG 25 HH1 ARG 25 -15.834 2.925 6.031 186 1HH2 ARG 25 HH2 ARG 25 -15.433 -1.087 6.735 187 2HH2 ARG 25 HH2 ARG 25 -16.334 -0.097 7.834 188 H GLY 26 HN GLY 26 -8.936 1.924 3.183 189 1HA GLY 26 HA1 GLY 26 -7.185 1.128 5.111 190 2HA GLY 26 HA2 GLY 26 -7.769 -0.383 4.288 191 H CYS 27 HN CYS 27 -5.628 -0.666 3.517 192 HA CYS 27 HA CYS 27 -4.533 1.189 1.586 193 1HB CYS 27 HB2 CYS 27 -3.559 -1.455 2.799 194 2HB CYS 27 HB3 CYS 27 -2.665 -0.622 1.485 195 H ILE 28 HN ILE 28 -3.883 0.648 -0.450 196 HA ILE 28 HA ILE 28 -5.408 -1.341 -1.959 197 HB ILE 28 HB ILE 28 -4.256 1.402 -2.759 198 1HG1 ILE 28 HG1 ILE 28 -6.380 1.477 -1.350 199 2HG1 ILE 28 HG1 ILE 28 -6.483 2.202 -2.969 200 1HG2 ILE 28 HG2 ILE 28 -5.625 -0.788 -4.436 201 2HG2 ILE 28 HG2 ILE 28 -5.423 0.926 -4.963 202 3HG2 ILE 28 HG2 ILE 28 -3.974 -0.088 -4.650 203 1HD1 ILE 28 HD1 ILE 28 -7.527 -0.624 -2.316 204 2HD1 ILE 28 HD1 ILE 28 -8.515 0.880 -2.337 205 3HD1 ILE 28 HD1 ILE 28 -7.739 0.305 -3.858 206 H CYS 29 HN CYS 29 -4.048 -2.759 -3.234 207 HA CYS 29 HA CYS 29 -1.137 -2.491 -2.850 208 1HB CYS 29 HB2 CYS 29 -2.984 -4.944 -2.632 209 2HB CYS 29 HB3 CYS 29 -1.209 -5.036 -2.838 210 H GLU 30 HN GLU 30 -0.326 -1.951 -4.804 211 HA GLU 30 HA GLU 30 -1.372 -3.208 -7.255 212 1HB GLU 30 HB2 GLU 30 0.415 -0.726 -6.883 213 2HB GLU 30 HB3 GLU 30 -0.173 -1.378 -8.454 214 1HG GLU 30 HG2 GLU 30 -1.901 -0.170 -6.194 215 2HG GLU 30 HG3 GLU 30 -1.447 0.603 -7.755 216 H SER 31 HN SER 31 0.150 -4.090 -8.720 217 HA SER 31 HA SER 31 2.585 -5.209 -7.519 218 1HB SER 31 HB2 SER 31 1.137 -5.845 -10.158 219 2HB SER 31 HB3 SER 31 2.564 -6.726 -9.480 220 HG SER 31 HG SER 31 0.593 -7.737 -9.048 No H/Q in entry = 220 Start of MODEL 14 No match found for entry 1H CYS 1 No match found for entry 2H CYS 1 No match found for entry 3H CYS 1 No match found for entry HA CYS 1 No match found for entry 1HB CYS 1 No match found for entry 2HB CYS 1 No match found for entry H THR 2 No match found for entry HA THR 2 No match found for entry HB THR 2 No match found for entry HG1THR 2 No match found for entry 1HG2THR 2 No match found for entry 2HG2THR 2 No match found for entry 3HG2THR 2 No match found for entry H THR 3 No match found for entry HA THR 3 No match found for entry HB THR 3 No match found for entry HG1THR 3 No match found for entry 1HG2THR 3 No match found for entry 2HG2THR 3 No match found for entry 3HG2THR 3 No match found for entry H SER 4 No match found for entry HA SER 4 No match found for entry 1HB SER 4 No match found for entry 2HB SER 4 No match found for entry HG SER 4 No match found for entry H LYS 5 No match found for entry HA LYS 5 No match found for entry 1HB LYS 5 No match found for entry 2HB LYS 5 No match found for entry 1HG LYS 5 No match found for entry 2HG LYS 5 No match found for entry 1HD LYS 5 No match found for entry 2HD LYS 5 No match found for entry 1HE LYS 5 No match found for entry 2HE LYS 5 No match found for entry 1HZ LYS 5 No match found for entry 2HZ LYS 5 No match found for entry 3HZ LYS 5 No match found for entry H GLU 6 No match found for entry HA GLU 6 No match found for entry 1HB GLU 6 No match found for entry 2HB GLU 6 No match found for entry 1HG GLU 6 No match found for entry 2HG GLU 6 No match found for entry H CYS 7 No match found for entry HA CYS 7 No match found for entry 1HB CYS 7 No match found for entry 2HB CYS 7 No match found for entry H TRP 8 No match found for entry HA TRP 8 No match found for entry 1HB TRP 8 No match found for entry 2HB TRP 8 No match found for entry HD1TRP 8 No match found for entry HE1TRP 8 No match found for entry HE3TRP 8 No match found for entry HZ2TRP 8 No match found for entry HZ3TRP 8 No match found for entry HH2TRP 8 No match found for entry H SER 9 No match found for entry HA SER 9 No match found for entry 1HB SER 9 No match found for entry 2HB SER 9 No match found for entry HG SER 9 No match found for entry H VAL 10 No match found for entry HA VAL 10 No match found for entry HB VAL 10 No match found for entry 1HG1VAL 10 No match found for entry 2HG1VAL 10 No match found for entry 3HG1VAL 10 No match found for entry 1HG2VAL 10 No match found for entry 2HG2VAL 10 No match found for entry 3HG2VAL 10 No match found for entry H CYS 11 No match found for entry HA CYS 11 No match found for entry 1HB CYS 11 No match found for entry 2HB CYS 11 No match found for entry H GLN 12 No match found for entry HA GLN 12 No match found for entry 1HB GLN 12 No match found for entry 2HB GLN 12 No match found for entry 1HG GLN 12 No match found for entry 2HG GLN 12 No match found for entry 1HE2GLN 12 No match found for entry 2HE2GLN 12 No match found for entry H ARG 13 No match found for entry HA ARG 13 No match found for entry 1HB ARG 13 No match found for entry 2HB ARG 13 No match found for entry 1HG ARG 13 No match found for entry 2HG ARG 13 No match found for entry 1HD ARG 13 No match found for entry 2HD ARG 13 No match found for entry HE ARG 13 No match found for entry 1HH1ARG 13 No match found for entry 2HH1ARG 13 No match found for entry 1HH2ARG 13 No match found for entry 2HH2ARG 13 No match found for entry H LEU 14 No match found for entry HA LEU 14 No match found for entry 1HB LEU 14 No match found for entry 2HB LEU 14 No match found for entry HG LEU 14 No match found for entry 1HD1LEU 14 No match found for entry 2HD1LEU 14 No match found for entry 3HD1LEU 14 No match found for entry 1HD2LEU 14 No match found for entry 2HD2LEU 14 No match found for entry 3HD2LEU 14 No match found for entry H HIS 15 No match found for entry HA HIS 15 No match found for entry 1HB HIS 15 No match found for entry 2HB HIS 15 No match found for entry HD1HIS 15 No match found for entry HD2HIS 15 No match found for entry HE1HIS 15 No match found for entry H ASN 16 No match found for entry HA ASN 16 No match found for entry 1HB ASN 16 No match found for entry 2HB ASN 16 No match found for entry 1HD2ASN 16 No match found for entry 2HD2ASN 16 No match found for entry H THR 17 No match found for entry HA THR 17 No match found for entry HB THR 17 No match found for entry HG1THR 17 No match found for entry 1HG2THR 17 No match found for entry 2HG2THR 17 No match found for entry 3HG2THR 17 No match found for entry H SER 18 No match found for entry HA SER 18 No match found for entry 1HB SER 18 No match found for entry 2HB SER 18 No match found for entry HG SER 18 No match found for entry H LYS 19 No match found for entry HA LYS 19 No match found for entry 1HB LYS 19 No match found for entry 2HB LYS 19 No match found for entry 1HG LYS 19 No match found for entry 2HG LYS 19 No match found for entry 1HD LYS 19 No match found for entry 2HD LYS 19 No match found for entry 1HE LYS 19 No match found for entry 2HE LYS 19 No match found for entry 1HZ LYS 19 No match found for entry 2HZ LYS 19 No match found for entry 3HZ LYS 19 No match found for entry H GLY 20 No match found for entry 1HA GLY 20 No match found for entry 2HA GLY 20 No match found for entry H TRP 21 No match found for entry HA TRP 21 No match found for entry 1HB TRP 21 No match found for entry 2HB TRP 21 No match found for entry HD1TRP 21 No match found for entry HE1TRP 21 No match found for entry HE3TRP 21 No match found for entry HZ2TRP 21 No match found for entry HZ3TRP 21 No match found for entry HH2TRP 21 No match found for entry H CYS 22 No match found for entry HA CYS 22 No match found for entry 1HB CYS 22 No match found for entry 2HB CYS 22 No match found for entry H ASP 23 No match found for entry HA ASP 23 No match found for entry 1HB ASP 23 No match found for entry 2HB ASP 23 No match found for entry H HIS 24 No match found for entry HA HIS 24 No match found for entry 1HB HIS 24 No match found for entry 2HB HIS 24 No match found for entry HD1HIS 24 No match found for entry HD2HIS 24 No match found for entry HE1HIS 24 No match found for entry H ARG 25 No match found for entry HA ARG 25 No match found for entry 1HB ARG 25 No match found for entry 2HB ARG 25 No match found for entry 1HG ARG 25 No match found for entry 2HG ARG 25 No match found for entry 1HD ARG 25 No match found for entry 2HD ARG 25 No match found for entry HE ARG 25 No match found for entry 1HH1ARG 25 No match found for entry 2HH1ARG 25 No match found for entry 1HH2ARG 25 No match found for entry 2HH2ARG 25 No match found for entry H GLY 26 No match found for entry 1HA GLY 26 No match found for entry 2HA GLY 26 No match found for entry H CYS 27 No match found for entry HA CYS 27 No match found for entry 1HB CYS 27 No match found for entry 2HB CYS 27 No match found for entry H ILE 28 No match found for entry HA ILE 28 No match found for entry HB ILE 28 No match found for entry 1HG1ILE 28 No match found for entry 2HG1ILE 28 No match found for entry 1HG2ILE 28 No match found for entry 2HG2ILE 28 No match found for entry 3HG2ILE 28 No match found for entry 1HD1ILE 28 No match found for entry 2HD1ILE 28 No match found for entry 3HD1ILE 28 No match found for entry H CYS 29 No match found for entry HA CYS 29 No match found for entry 1HB CYS 29 No match found for entry 2HB CYS 29 No match found for entry H GLU 30 No match found for entry HA GLU 30 No match found for entry 1HB GLU 30 No match found for entry 2HB GLU 30 No match found for entry 1HG GLU 30 No match found for entry 2HG GLU 30 No match found for entry H SER 31 No match found for entry HA SER 31 No match found for entry 1HB SER 31 No match found for entry 2HB SER 31 No match found for entry HG SER 31 No H/Q in entry = 220 Start of MODEL 15 No match found for entry 1H CYS 1 No match found for entry 2H CYS 1 No match found for entry 3H CYS 1 No match found for entry HA CYS 1 No match found for entry 1HB CYS 1 No match found for entry 2HB CYS 1 No match found for entry H THR 2 No match found for entry HA THR 2 No match found for entry HB THR 2 No match found for entry HG1THR 2 No match found for entry 1HG2THR 2 No match found for entry 2HG2THR 2 No match found for entry 3HG2THR 2 No match found for entry H THR 3 No match found for entry HA THR 3 No match found for entry HB THR 3 No match found for entry HG1THR 3 No match found for entry 1HG2THR 3 No match found for entry 2HG2THR 3 No match found for entry 3HG2THR 3 No match found for entry H SER 4 No match found for entry HA SER 4 No match found for entry 1HB SER 4 No match found for entry 2HB SER 4 No match found for entry HG SER 4 No match found for entry H LYS 5 No match found for entry HA LYS 5 No match found for entry 1HB LYS 5 No match found for entry 2HB LYS 5 No match found for entry 1HG LYS 5 No match found for entry 2HG LYS 5 No match found for entry 1HD LYS 5 No match found for entry 2HD LYS 5 No match found for entry 1HE LYS 5 No match found for entry 2HE LYS 5 No match found for entry 1HZ LYS 5 No match found for entry 2HZ LYS 5 No match found for entry 3HZ LYS 5 No match found for entry H GLU 6 No match found for entry HA GLU 6 No match found for entry 1HB GLU 6 No match found for entry 2HB GLU 6 No match found for entry 1HG GLU 6 No match found for entry 2HG GLU 6 No match found for entry H CYS 7 No match found for entry HA CYS 7 No match found for entry 1HB CYS 7 No match found for entry 2HB CYS 7 No match found for entry H TRP 8 No match found for entry HA TRP 8 No match found for entry 1HB TRP 8 No match found for entry 2HB TRP 8 No match found for entry HD1TRP 8 No match found for entry HE1TRP 8 No match found for entry HE3TRP 8 No match found for entry HZ2TRP 8 No match found for entry HZ3TRP 8 No match found for entry HH2TRP 8 No match found for entry H SER 9 No match found for entry HA SER 9 No match found for entry 1HB SER 9 No match found for entry 2HB SER 9 No match found for entry HG SER 9 No match found for entry H VAL 10 No match found for entry HA VAL 10 No match found for entry HB VAL 10 No match found for entry 1HG1VAL 10 No match found for entry 2HG1VAL 10 No match found for entry 3HG1VAL 10 No match found for entry 1HG2VAL 10 No match found for entry 2HG2VAL 10 No match found for entry 3HG2VAL 10 No match found for entry H CYS 11 No match found for entry HA CYS 11 No match found for entry 1HB CYS 11 No match found for entry 2HB CYS 11 No match found for entry H GLN 12 No match found for entry HA GLN 12 No match found for entry 1HB GLN 12 No match found for entry 2HB GLN 12 No match found for entry 1HG GLN 12 No match found for entry 2HG GLN 12 No match found for entry 1HE2GLN 12 No match found for entry 2HE2GLN 12 No match found for entry H ARG 13 No match found for entry HA ARG 13 No match found for entry 1HB ARG 13 No match found for entry 2HB ARG 13 No match found for entry 1HG ARG 13 No match found for entry 2HG ARG 13 No match found for entry 1HD ARG 13 No match found for entry 2HD ARG 13 No match found for entry HE ARG 13 No match found for entry 1HH1ARG 13 No match found for entry 2HH1ARG 13 No match found for entry 1HH2ARG 13 No match found for entry 2HH2ARG 13 No match found for entry H LEU 14 No match found for entry HA LEU 14 No match found for entry 1HB LEU 14 No match found for entry 2HB LEU 14 No match found for entry HG LEU 14 No match found for entry 1HD1LEU 14 No match found for entry 2HD1LEU 14 No match found for entry 3HD1LEU 14 No match found for entry 1HD2LEU 14 No match found for entry 2HD2LEU 14 No match found for entry 3HD2LEU 14 No match found for entry H HIS 15 No match found for entry HA HIS 15 No match found for entry 1HB HIS 15 No match found for entry 2HB HIS 15 No match found for entry HD1HIS 15 No match found for entry HD2HIS 15 No match found for entry HE1HIS 15 No match found for entry H ASN 16 No match found for entry HA ASN 16 No match found for entry 1HB ASN 16 No match found for entry 2HB ASN 16 No match found for entry 1HD2ASN 16 No match found for entry 2HD2ASN 16 No match found for entry H THR 17 No match found for entry HA THR 17 No match found for entry HB THR 17 No match found for entry HG1THR 17 No match found for entry 1HG2THR 17 No match found for entry 2HG2THR 17 No match found for entry 3HG2THR 17 No match found for entry H SER 18 No match found for entry HA SER 18 No match found for entry 1HB SER 18 No match found for entry 2HB SER 18 No match found for entry HG SER 18 No match found for entry H LYS 19 No match found for entry HA LYS 19 No match found for entry 1HB LYS 19 No match found for entry 2HB LYS 19 No match found for entry 1HG LYS 19 No match found for entry 2HG LYS 19 No match found for entry 1HD LYS 19 No match found for entry 2HD LYS 19 No match found for entry 1HE LYS 19 No match found for entry 2HE LYS 19 No match found for entry 1HZ LYS 19 No match found for entry 2HZ LYS 19 No match found for entry 3HZ LYS 19 No match found for entry H GLY 20 No match found for entry 1HA GLY 20 No match found for entry 2HA GLY 20 No match found for entry H TRP 21 No match found for entry HA TRP 21 No match found for entry 1HB TRP 21 No match found for entry 2HB TRP 21 No match found for entry HD1TRP 21 No match found for entry HE1TRP 21 No match found for entry HE3TRP 21 No match found for entry HZ2TRP 21 No match found for entry HZ3TRP 21 No match found for entry HH2TRP 21 No match found for entry H CYS 22 No match found for entry HA CYS 22 No match found for entry 1HB CYS 22 No match found for entry 2HB CYS 22 No match found for entry H ASP 23 No match found for entry HA ASP 23 No match found for entry 1HB ASP 23 No match found for entry 2HB ASP 23 No match found for entry H HIS 24 No match found for entry HA HIS 24 No match found for entry 1HB HIS 24 No match found for entry 2HB HIS 24 No match found for entry HD1HIS 24 No match found for entry HD2HIS 24 No match found for entry HE1HIS 24 No match found for entry H ARG 25 No match found for entry HA ARG 25 No match found for entry 1HB ARG 25 No match found for entry 2HB ARG 25 No match found for entry 1HG ARG 25 No match found for entry 2HG ARG 25 No match found for entry 1HD ARG 25 No match found for entry 2HD ARG 25 No match found for entry HE ARG 25 No match found for entry 1HH1ARG 25 No match found for entry 2HH1ARG 25 No match found for entry 1HH2ARG 25 No match found for entry 2HH2ARG 25 No match found for entry H GLY 26 No match found for entry 1HA GLY 26 No match found for entry 2HA GLY 26 No match found for entry H CYS 27 No match found for entry HA CYS 27 No match found for entry 1HB CYS 27 No match found for entry 2HB CYS 27 No match found for entry H ILE 28 No match found for entry HA ILE 28 No match found for entry HB ILE 28 No match found for entry 1HG1ILE 28 No match found for entry 2HG1ILE 28 No match found for entry 1HG2ILE 28 No match found for entry 2HG2ILE 28 No match found for entry 3HG2ILE 28 No match found for entry 1HD1ILE 28 No match found for entry 2HD1ILE 28 No match found for entry 3HD1ILE 28 No match found for entry H CYS 29 No match found for entry HA CYS 29 No match found for entry 1HB CYS 29 No match found for entry 2HB CYS 29 No match found for entry H GLU 30 No match found for entry HA GLU 30 No match found for entry 1HB GLU 30 No match found for entry 2HB GLU 30 No match found for entry 1HG GLU 30 No match found for entry 2HG GLU 30 No match found for entry H SER 31 No match found for entry HA SER 31 No match found for entry 1HB SER 31 No match found for entry 2HB SER 31 No match found for entry HG SER 31 No H/Q in entry = 220 Start of MODEL 16 No match found for entry 1H CYS 1 No match found for entry 2H CYS 1 No match found for entry 3H CYS 1 No match found for entry HA CYS 1 No match found for entry 1HB CYS 1 No match found for entry 2HB CYS 1 No match found for entry H THR 2 No match found for entry HA THR 2 No match found for entry HB THR 2 No match found for entry HG1THR 2 No match found for entry 1HG2THR 2 No match found for entry 2HG2THR 2 No match found for entry 3HG2THR 2 No match found for entry H THR 3 No match found for entry HA THR 3 No match found for entry HB THR 3 No match found for entry HG1THR 3 No match found for entry 1HG2THR 3 No match found for entry 2HG2THR 3 No match found for entry 3HG2THR 3 No match found for entry H SER 4 No match found for entry HA SER 4 No match found for entry 1HB SER 4 No match found for entry 2HB SER 4 No match found for entry HG SER 4 No match found for entry H LYS 5 No match found for entry HA LYS 5 No match found for entry 1HB LYS 5 No match found for entry 2HB LYS 5 No match found for entry 1HG LYS 5 No match found for entry 2HG LYS 5 No match found for entry 1HD LYS 5 No match found for entry 2HD LYS 5 No match found for entry 1HE LYS 5 No match found for entry 2HE LYS 5 No match found for entry 1HZ LYS 5 No match found for entry 2HZ LYS 5 No match found for entry 3HZ LYS 5 No match found for entry H GLU 6 No match found for entry HA GLU 6 No match found for entry 1HB GLU 6 No match found for entry 2HB GLU 6 No match found for entry 1HG GLU 6 No match found for entry 2HG GLU 6 No match found for entry H CYS 7 No match found for entry HA CYS 7 No match found for entry 1HB CYS 7 No match found for entry 2HB CYS 7 No match found for entry H TRP 8 No match found for entry HA TRP 8 No match found for entry 1HB TRP 8 No match found for entry 2HB TRP 8 No match found for entry HD1TRP 8 No match found for entry HE1TRP 8 No match found for entry HE3TRP 8 No match found for entry HZ2TRP 8 No match found for entry HZ3TRP 8 No match found for entry HH2TRP 8 No match found for entry H SER 9 No match found for entry HA SER 9 No match found for entry 1HB SER 9 No match found for entry 2HB SER 9 No match found for entry HG SER 9 No match found for entry H VAL 10 No match found for entry HA VAL 10 No match found for entry HB VAL 10 No match found for entry 1HG1VAL 10 No match found for entry 2HG1VAL 10 No match found for entry 3HG1VAL 10 No match found for entry 1HG2VAL 10 No match found for entry 2HG2VAL 10 No match found for entry 3HG2VAL 10 No match found for entry H CYS 11 No match found for entry HA CYS 11 No match found for entry 1HB CYS 11 No match found for entry 2HB CYS 11 No match found for entry H GLN 12 No match found for entry HA GLN 12 No match found for entry 1HB GLN 12 No match found for entry 2HB GLN 12 No match found for entry 1HG GLN 12 No match found for entry 2HG GLN 12 No match found for entry 1HE2GLN 12 No match found for entry 2HE2GLN 12 No match found for entry H ARG 13 No match found for entry HA ARG 13 No match found for entry 1HB ARG 13 No match found for entry 2HB ARG 13 No match found for entry 1HG ARG 13 No match found for entry 2HG ARG 13 No match found for entry 1HD ARG 13 No match found for entry 2HD ARG 13 No match found for entry HE ARG 13 No match found for entry 1HH1ARG 13 No match found for entry 2HH1ARG 13 No match found for entry 1HH2ARG 13 No match found for entry 2HH2ARG 13 No match found for entry H LEU 14 No match found for entry HA LEU 14 No match found for entry 1HB LEU 14 No match found for entry 2HB LEU 14 No match found for entry HG LEU 14 No match found for entry 1HD1LEU 14 No match found for entry 2HD1LEU 14 No match found for entry 3HD1LEU 14 No match found for entry 1HD2LEU 14 No match found for entry 2HD2LEU 14 No match found for entry 3HD2LEU 14 No match found for entry H HIS 15 No match found for entry HA HIS 15 No match found for entry 1HB HIS 15 No match found for entry 2HB HIS 15 No match found for entry HD1HIS 15 No match found for entry HD2HIS 15 No match found for entry HE1HIS 15 No match found for entry H ASN 16 No match found for entry HA ASN 16 No match found for entry 1HB ASN 16 No match found for entry 2HB ASN 16 No match found for entry 1HD2ASN 16 No match found for entry 2HD2ASN 16 No match found for entry H THR 17 No match found for entry HA THR 17 No match found for entry HB THR 17 No match found for entry HG1THR 17 No match found for entry 1HG2THR 17 No match found for entry 2HG2THR 17 No match found for entry 3HG2THR 17 No match found for entry H SER 18 No match found for entry HA SER 18 No match found for entry 1HB SER 18 No match found for entry 2HB SER 18 No match found for entry HG SER 18 No match found for entry H LYS 19 No match found for entry HA LYS 19 No match found for entry 1HB LYS 19 No match found for entry 2HB LYS 19 No match found for entry 1HG LYS 19 No match found for entry 2HG LYS 19 No match found for entry 1HD LYS 19 No match found for entry 2HD LYS 19 No match found for entry 1HE LYS 19 No match found for entry 2HE LYS 19 No match found for entry 1HZ LYS 19 No match found for entry 2HZ LYS 19 No match found for entry 3HZ LYS 19 No match found for entry H GLY 20 No match found for entry 1HA GLY 20 No match found for entry 2HA GLY 20 No match found for entry H TRP 21 No match found for entry HA TRP 21 No match found for entry 1HB TRP 21 No match found for entry 2HB TRP 21 No match found for entry HD1TRP 21 No match found for entry HE1TRP 21 No match found for entry HE3TRP 21 No match found for entry HZ2TRP 21 No match found for entry HZ3TRP 21 No match found for entry HH2TRP 21 No match found for entry H CYS 22 No match found for entry HA CYS 22 No match found for entry 1HB CYS 22 No match found for entry 2HB CYS 22 No match found for entry H ASP 23 No match found for entry HA ASP 23 No match found for entry 1HB ASP 23 No match found for entry 2HB ASP 23 No match found for entry H HIS 24 No match found for entry HA HIS 24 No match found for entry 1HB HIS 24 No match found for entry 2HB HIS 24 No match found for entry HD1HIS 24 No match found for entry HD2HIS 24 No match found for entry HE1HIS 24 No match found for entry H ARG 25 No match found for entry HA ARG 25 No match found for entry 1HB ARG 25 No match found for entry 2HB ARG 25 No match found for entry 1HG ARG 25 No match found for entry 2HG ARG 25 No match found for entry 1HD ARG 25 No match found for entry 2HD ARG 25 No match found for entry HE ARG 25 No match found for entry 1HH1ARG 25 No match found for entry 2HH1ARG 25 No match found for entry 1HH2ARG 25 No match found for entry 2HH2ARG 25 No match found for entry H GLY 26 No match found for entry 1HA GLY 26 No match found for entry 2HA GLY 26 No match found for entry H CYS 27 No match found for entry HA CYS 27 No match found for entry 1HB CYS 27 No match found for entry 2HB CYS 27 No match found for entry H ILE 28 No match found for entry HA ILE 28 No match found for entry HB ILE 28 No match found for entry 1HG1ILE 28 No match found for entry 2HG1ILE 28 No match found for entry 1HG2ILE 28 No match found for entry 2HG2ILE 28 No match found for entry 3HG2ILE 28 No match found for entry 1HD1ILE 28 No match found for entry 2HD1ILE 28 No match found for entry 3HD1ILE 28 No match found for entry H CYS 29 No match found for entry HA CYS 29 No match found for entry 1HB CYS 29 No match found for entry 2HB CYS 29 No match found for entry H GLU 30 No match found for entry HA GLU 30 No match found for entry 1HB GLU 30 No match found for entry 2HB GLU 30 No match found for entry 1HG GLU 30 No match found for entry 2HG GLU 30 No match found for entry H SER 31 No match found for entry HA SER 31 No match found for entry 1HB SER 31 No match found for entry 2HB SER 31 No match found for entry HG SER 31 No H/Q in entry = 220 Start of MODEL 17 No match found for entry 1H CYS 1 No match found for entry 2H CYS 1 No match found for entry 3H CYS 1 No match found for entry HA CYS 1 No match found for entry 1HB CYS 1 No match found for entry 2HB CYS 1 No match found for entry H THR 2 No match found for entry HA THR 2 No match found for entry HB THR 2 No match found for entry HG1THR 2 No match found for entry 1HG2THR 2 No match found for entry 2HG2THR 2 No match found for entry 3HG2THR 2 No match found for entry H THR 3 No match found for entry HA THR 3 No match found for entry HB THR 3 No match found for entry HG1THR 3 No match found for entry 1HG2THR 3 No match found for entry 2HG2THR 3 No match found for entry 3HG2THR 3 No match found for entry H SER 4 No match found for entry HA SER 4 No match found for entry 1HB SER 4 No match found for entry 2HB SER 4 No match found for entry HG SER 4 No match found for entry H LYS 5 No match found for entry HA LYS 5 No match found for entry 1HB LYS 5 No match found for entry 2HB LYS 5 No match found for entry 1HG LYS 5 No match found for entry 2HG LYS 5 No match found for entry 1HD LYS 5 No match found for entry 2HD LYS 5 No match found for entry 1HE LYS 5 No match found for entry 2HE LYS 5 No match found for entry 1HZ LYS 5 No match found for entry 2HZ LYS 5 No match found for entry 3HZ LYS 5 No match found for entry H GLU 6 No match found for entry HA GLU 6 No match found for entry 1HB GLU 6 No match found for entry 2HB GLU 6 No match found for entry 1HG GLU 6 No match found for entry 2HG GLU 6 No match found for entry H CYS 7 No match found for entry HA CYS 7 No match found for entry 1HB CYS 7 No match found for entry 2HB CYS 7 No match found for entry H TRP 8 No match found for entry HA TRP 8 No match found for entry 1HB TRP 8 No match found for entry 2HB TRP 8 No match found for entry HD1TRP 8 No match found for entry HE1TRP 8 No match found for entry HE3TRP 8 No match found for entry HZ2TRP 8 No match found for entry HZ3TRP 8 No match found for entry HH2TRP 8 No match found for entry H SER 9 No match found for entry HA SER 9 No match found for entry 1HB SER 9 No match found for entry 2HB SER 9 No match found for entry HG SER 9 No match found for entry H VAL 10 No match found for entry HA VAL 10 No match found for entry HB VAL 10 No match found for entry 1HG1VAL 10 No match found for entry 2HG1VAL 10 No match found for entry 3HG1VAL 10 No match found for entry 1HG2VAL 10 No match found for entry 2HG2VAL 10 No match found for entry 3HG2VAL 10 No match found for entry H CYS 11 No match found for entry HA CYS 11 No match found for entry 1HB CYS 11 No match found for entry 2HB CYS 11 No match found for entry H GLN 12 No match found for entry HA GLN 12 No match found for entry 1HB GLN 12 No match found for entry 2HB GLN 12 No match found for entry 1HG GLN 12 No match found for entry 2HG GLN 12 No match found for entry 1HE2GLN 12 No match found for entry 2HE2GLN 12 No match found for entry H ARG 13 No match found for entry HA ARG 13 No match found for entry 1HB ARG 13 No match found for entry 2HB ARG 13 No match found for entry 1HG ARG 13 No match found for entry 2HG ARG 13 No match found for entry 1HD ARG 13 No match found for entry 2HD ARG 13 No match found for entry HE ARG 13 No match found for entry 1HH1ARG 13 No match found for entry 2HH1ARG 13 No match found for entry 1HH2ARG 13 No match found for entry 2HH2ARG 13 No match found for entry H LEU 14 No match found for entry HA LEU 14 No match found for entry 1HB LEU 14 No match found for entry 2HB LEU 14 No match found for entry HG LEU 14 No match found for entry 1HD1LEU 14 No match found for entry 2HD1LEU 14 No match found for entry 3HD1LEU 14 No match found for entry 1HD2LEU 14 No match found for entry 2HD2LEU 14 No match found for entry 3HD2LEU 14 No match found for entry H HIS 15 No match found for entry HA HIS 15 No match found for entry 1HB HIS 15 No match found for entry 2HB HIS 15 No match found for entry HD1HIS 15 No match found for entry HD2HIS 15 No match found for entry HE1HIS 15 No match found for entry H ASN 16 No match found for entry HA ASN 16 No match found for entry 1HB ASN 16 No match found for entry 2HB ASN 16 No match found for entry 1HD2ASN 16 No match found for entry 2HD2ASN 16 No match found for entry H THR 17 No match found for entry HA THR 17 No match found for entry HB THR 17 No match found for entry HG1THR 17 No match found for entry 1HG2THR 17 No match found for entry 2HG2THR 17 No match found for entry 3HG2THR 17 No match found for entry H SER 18 No match found for entry HA SER 18 No match found for entry 1HB SER 18 No match found for entry 2HB SER 18 No match found for entry HG SER 18 No match found for entry H LYS 19 No match found for entry HA LYS 19 No match found for entry 1HB LYS 19 No match found for entry 2HB LYS 19 No match found for entry 1HG LYS 19 No match found for entry 2HG LYS 19 No match found for entry 1HD LYS 19 No match found for entry 2HD LYS 19 No match found for entry 1HE LYS 19 No match found for entry 2HE LYS 19 No match found for entry 1HZ LYS 19 No match found for entry 2HZ LYS 19 No match found for entry 3HZ LYS 19 No match found for entry H GLY 20 No match found for entry 1HA GLY 20 No match found for entry 2HA GLY 20 No match found for entry H TRP 21 No match found for entry HA TRP 21 No match found for entry 1HB TRP 21 No match found for entry 2HB TRP 21 No match found for entry HD1TRP 21 No match found for entry HE1TRP 21 No match found for entry HE3TRP 21 No match found for entry HZ2TRP 21 No match found for entry HZ3TRP 21 No match found for entry HH2TRP 21 No match found for entry H CYS 22 No match found for entry HA CYS 22 No match found for entry 1HB CYS 22 No match found for entry 2HB CYS 22 No match found for entry H ASP 23 No match found for entry HA ASP 23 No match found for entry 1HB ASP 23 No match found for entry 2HB ASP 23 No match found for entry H HIS 24 No match found for entry HA HIS 24 No match found for entry 1HB HIS 24 No match found for entry 2HB HIS 24 No match found for entry HD1HIS 24 No match found for entry HD2HIS 24 No match found for entry HE1HIS 24 No match found for entry H ARG 25 No match found for entry HA ARG 25 No match found for entry 1HB ARG 25 No match found for entry 2HB ARG 25 No match found for entry 1HG ARG 25 No match found for entry 2HG ARG 25 No match found for entry 1HD ARG 25 No match found for entry 2HD ARG 25 No match found for entry HE ARG 25 No match found for entry 1HH1ARG 25 No match found for entry 2HH1ARG 25 No match found for entry 1HH2ARG 25 No match found for entry 2HH2ARG 25 No match found for entry H GLY 26 No match found for entry 1HA GLY 26 No match found for entry 2HA GLY 26 No match found for entry H CYS 27 No match found for entry HA CYS 27 No match found for entry 1HB CYS 27 No match found for entry 2HB CYS 27 No match found for entry H ILE 28 No match found for entry HA ILE 28 No match found for entry HB ILE 28 No match found for entry 1HG1ILE 28 No match found for entry 2HG1ILE 28 No match found for entry 1HG2ILE 28 No match found for entry 2HG2ILE 28 No match found for entry 3HG2ILE 28 No match found for entry 1HD1ILE 28 No match found for entry 2HD1ILE 28 No match found for entry 3HD1ILE 28 No match found for entry H CYS 29 No match found for entry HA CYS 29 No match found for entry 1HB CYS 29 No match found for entry 2HB CYS 29 No match found for entry H GLU 30 No match found for entry HA GLU 30 No match found for entry 1HB GLU 30 No match found for entry 2HB GLU 30 No match found for entry 1HG GLU 30 No match found for entry 2HG GLU 30 No match found for entry H SER 31 No match found for entry HA SER 31 No match found for entry 1HB SER 31 No match found for entry 2HB SER 31 No match found for entry HG SER 31 No H/Q in entry = 220 Start of MODEL 18 1 1H CYS 1 HT1 CYS 1 -3.549 3.435 8.477 No match found for entry 2H CYS 1 No match found for entry 3H CYS 1 No match found for entry HA CYS 1 No match found for entry 1HB CYS 1 No match found for entry 2HB CYS 1 No match found for entry H THR 2 No match found for entry HA THR 2 No match found for entry HB THR 2 No match found for entry HG1THR 2 No match found for entry 1HG2THR 2 No match found for entry 2HG2THR 2 No match found for entry 3HG2THR 2 No match found for entry H THR 3 No match found for entry HA THR 3 No match found for entry HB THR 3 No match found for entry HG1THR 3 No match found for entry 1HG2THR 3 No match found for entry 2HG2THR 3 No match found for entry 3HG2THR 3 No match found for entry H SER 4 No match found for entry HA SER 4 No match found for entry 1HB SER 4 No match found for entry 2HB SER 4 No match found for entry HG SER 4 No match found for entry H LYS 5 No match found for entry HA LYS 5 No match found for entry 1HB LYS 5 No match found for entry 2HB LYS 5 No match found for entry 1HG LYS 5 No match found for entry 2HG LYS 5 No match found for entry 1HD LYS 5 No match found for entry 2HD LYS 5 No match found for entry 1HE LYS 5 No match found for entry 2HE LYS 5 No match found for entry 1HZ LYS 5 No match found for entry 2HZ LYS 5 No match found for entry 3HZ LYS 5 No match found for entry H GLU 6 No match found for entry HA GLU 6 No match found for entry 1HB GLU 6 No match found for entry 2HB GLU 6 No match found for entry 1HG GLU 6 No match found for entry 2HG GLU 6 No match found for entry H CYS 7 No match found for entry HA CYS 7 No match found for entry 1HB CYS 7 No match found for entry 2HB CYS 7 No match found for entry H TRP 8 No match found for entry HA TRP 8 No match found for entry 1HB TRP 8 No match found for entry 2HB TRP 8 No match found for entry HD1TRP 8 No match found for entry HE1TRP 8 No match found for entry HE3TRP 8 No match found for entry HZ2TRP 8 No match found for entry HZ3TRP 8 No match found for entry HH2TRP 8 No match found for entry H SER 9 No match found for entry HA SER 9 No match found for entry 1HB SER 9 No match found for entry 2HB SER 9 No match found for entry HG SER 9 No match found for entry H VAL 10 No match found for entry HA VAL 10 No match found for entry HB VAL 10 No match found for entry 1HG1VAL 10 No match found for entry 2HG1VAL 10 No match found for entry 3HG1VAL 10 No match found for entry 1HG2VAL 10 No match found for entry 2HG2VAL 10 No match found for entry 3HG2VAL 10 No match found for entry H CYS 11 No match found for entry HA CYS 11 No match found for entry 1HB CYS 11 No match found for entry 2HB CYS 11 No match found for entry H GLN 12 No match found for entry HA GLN 12 No match found for entry 1HB GLN 12 No match found for entry 2HB GLN 12 No match found for entry 1HG GLN 12 No match found for entry 2HG GLN 12 No match found for entry 1HE2GLN 12 No match found for entry 2HE2GLN 12 No match found for entry H ARG 13 No match found for entry HA ARG 13 No match found for entry 1HB ARG 13 No match found for entry 2HB ARG 13 No match found for entry 1HG ARG 13 No match found for entry 2HG ARG 13 No match found for entry 1HD ARG 13 No match found for entry 2HD ARG 13 No match found for entry HE ARG 13 No match found for entry 1HH1ARG 13 No match found for entry 2HH1ARG 13 No match found for entry 1HH2ARG 13 No match found for entry 2HH2ARG 13 No match found for entry H LEU 14 No match found for entry HA LEU 14 No match found for entry 1HB LEU 14 No match found for entry 2HB LEU 14 No match found for entry HG LEU 14 No match found for entry 1HD1LEU 14 No match found for entry 2HD1LEU 14 No match found for entry 3HD1LEU 14 No match found for entry 1HD2LEU 14 No match found for entry 2HD2LEU 14 No match found for entry 3HD2LEU 14 No match found for entry H HIS 15 No match found for entry HA HIS 15 No match found for entry 1HB HIS 15 No match found for entry 2HB HIS 15 No match found for entry HD1HIS 15 No match found for entry HD2HIS 15 No match found for entry HE1HIS 15 No match found for entry H ASN 16 No match found for entry HA ASN 16 No match found for entry 1HB ASN 16 No match found for entry 2HB ASN 16 No match found for entry 1HD2ASN 16 No match found for entry 2HD2ASN 16 No match found for entry H THR 17 No match found for entry HA THR 17 No match found for entry HB THR 17 No match found for entry HG1THR 17 No match found for entry 1HG2THR 17 No match found for entry 2HG2THR 17 No match found for entry 3HG2THR 17 No match found for entry H SER 18 No match found for entry HA SER 18 No match found for entry 1HB SER 18 No match found for entry 2HB SER 18 No match found for entry HG SER 18 No match found for entry H LYS 19 No match found for entry HA LYS 19 No match found for entry 1HB LYS 19 No match found for entry 2HB LYS 19 No match found for entry 1HG LYS 19 No match found for entry 2HG LYS 19 No match found for entry 1HD LYS 19 No match found for entry 2HD LYS 19 No match found for entry 1HE LYS 19 No match found for entry 2HE LYS 19 No match found for entry 1HZ LYS 19 No match found for entry 2HZ LYS 19 No match found for entry 3HZ LYS 19 No match found for entry H GLY 20 No match found for entry 1HA GLY 20 No match found for entry 2HA GLY 20 No match found for entry H TRP 21 No match found for entry HA TRP 21 No match found for entry 1HB TRP 21 No match found for entry 2HB TRP 21 No match found for entry HD1TRP 21 No match found for entry HE1TRP 21 No match found for entry HE3TRP 21 No match found for entry HZ2TRP 21 No match found for entry HZ3TRP 21 No match found for entry HH2TRP 21 No match found for entry H CYS 22 No match found for entry HA CYS 22 No match found for entry 1HB CYS 22 No match found for entry 2HB CYS 22 No match found for entry H ASP 23 No match found for entry HA ASP 23 No match found for entry 1HB ASP 23 No match found for entry 2HB ASP 23 No match found for entry H HIS 24 No match found for entry HA HIS 24 No match found for entry 1HB HIS 24 No match found for entry 2HB HIS 24 No match found for entry HD1HIS 24 No match found for entry HD2HIS 24 No match found for entry HE1HIS 24 No match found for entry H ARG 25 No match found for entry HA ARG 25 No match found for entry 1HB ARG 25 No match found for entry 2HB ARG 25 No match found for entry 1HG ARG 25 No match found for entry 2HG ARG 25 No match found for entry 1HD ARG 25 No match found for entry 2HD ARG 25 No match found for entry HE ARG 25 No match found for entry 1HH1ARG 25 No match found for entry 2HH1ARG 25 No match found for entry 1HH2ARG 25 No match found for entry 2HH2ARG 25 No match found for entry H GLY 26 No match found for entry 1HA GLY 26 No match found for entry 2HA GLY 26 No match found for entry H CYS 27 No match found for entry HA CYS 27 No match found for entry 1HB CYS 27 No match found for entry 2HB CYS 27 No match found for entry H ILE 28 No match found for entry HA ILE 28 No match found for entry HB ILE 28 No match found for entry 1HG1ILE 28 No match found for entry 2HG1ILE 28 No match found for entry 1HG2ILE 28 No match found for entry 2HG2ILE 28 No match found for entry 3HG2ILE 28 No match found for entry 1HD1ILE 28 No match found for entry 2HD1ILE 28 No match found for entry 3HD1ILE 28 No match found for entry H CYS 29 No match found for entry HA CYS 29 No match found for entry 1HB CYS 29 No match found for entry 2HB CYS 29 No match found for entry H GLU 30 No match found for entry HA GLU 30 No match found for entry 1HB GLU 30 No match found for entry 2HB GLU 30 No match found for entry 1HG GLU 30 No match found for entry 2HG GLU 30 No match found for entry H SER 31 No match found for entry HA SER 31 No match found for entry 1HB SER 31 No match found for entry 2HB SER 31 No match found for entry HG SER 31
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