NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
639362 | 6nw8 | 30568 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LEU 1 H1 LEU 1 2.773 1.076 6.131 2 H2 LEU 1 H2 LEU 1 2.049 1.740 4.757 3 H3 LEU 1 H3 LEU 1 3.487 2.399 5.357 4 HA LEU 1 HA LEU 1 3.929 1.078 3.411 5 HB2 LEU 1 HB2 LEU 1 5.617 1.147 5.191 6 HB3 LEU 1 HB3 LEU 1 4.852 -0.216 5.981 7 HG LEU 1 HG LEU 1 5.407 -1.622 3.996 8 HD11 LEU 1 HD11 LEU 1 7.139 -0.778 2.448 9 HD12 LEU 1 HD12 LEU 1 6.947 0.829 3.149 10 HD13 LEU 1 HD13 LEU 1 5.604 0.073 2.294 11 HD21 LEU 1 HD21 LEU 1 7.708 -0.275 5.398 12 HD22 LEU 1 HD22 LEU 1 7.796 -1.804 4.527 13 HD23 LEU 1 HD23 LEU 1 6.799 -1.671 5.973 14 H CYS 2 H CYS 2 3.321 -0.546 2.146 15 HA CYS 2 HA CYS 2 1.598 -2.628 3.292 16 HB2 CYS 2 HB2 CYS 2 1.675 -1.598 0.453 17 HB3 CYS 2 HB3 CYS 2 0.485 -2.699 1.143 18 H LEU 3 H LEU 3 2.352 -4.636 3.241 19 HA LEU 3 HA LEU 3 4.428 -5.293 1.261 20 HB2 LEU 3 HB2 LEU 3 4.187 -6.292 4.097 21 HB3 LEU 3 HB3 LEU 3 5.366 -6.862 2.932 22 HG LEU 3 HG LEU 3 5.192 -4.045 4.006 23 HD11 LEU 3 HD11 LEU 3 7.147 -6.256 4.613 24 HD12 LEU 3 HD12 LEU 3 5.923 -5.618 5.709 25 HD13 LEU 3 HD13 LEU 3 7.259 -4.594 5.188 26 HD21 LEU 3 HD21 LEU 3 7.403 -3.782 2.921 27 HD22 LEU 3 HD22 LEU 3 6.092 -4.036 1.772 28 HD23 LEU 3 HD23 LEU 3 7.186 -5.361 2.166 29 H SER 4 H SER 4 2.043 -6.815 3.433 30 HA SER 4 HA SER 4 1.795 -9.024 1.539 31 HB2 SER 4 HB2 SER 4 0.682 -8.713 4.334 32 HB3 SER 4 HB3 SER 4 0.608 -10.174 3.348 33 HG SER 4 HG SER 4 2.669 -9.175 4.843 34 H CYS 5 H CYS 5 0.759 -6.659 0.617 35 HA CYS 5 HA CYS 5 -1.993 -7.404 0.206 36 HB2 CYS 5 HB2 CYS 5 -2.664 -4.946 0.692 37 HB3 CYS 5 HB3 CYS 5 -2.498 -6.068 2.036 38 H ARG 6 H ARG 6 -2.965 -6.280 -1.564 39 HA ARG 6 HA ARG 6 -0.949 -5.554 -3.542 40 HB2 ARG 6 HB2 ARG 6 -3.912 -6.058 -3.860 41 HB3 ARG 6 HB3 ARG 6 -2.764 -5.831 -5.172 42 HG2 ARG 6 HG2 ARG 6 -1.562 -7.865 -4.367 43 HG3 ARG 6 HG3 ARG 6 -2.879 -8.117 -3.221 44 HD2 ARG 6 HD2 ARG 6 -3.332 -9.480 -5.114 45 HD3 ARG 6 HD3 ARG 6 -4.451 -8.119 -5.178 46 HE ARG 6 HE ARG 6 -2.149 -7.490 -6.669 47 HH11 ARG 6 HH11 ARG 6 -4.954 -9.577 -6.792 48 HH12 ARG 6 HH12 ARG 6 -4.965 -9.678 -8.523 49 HH21 ARG 6 HH21 ARG 6 -2.145 -7.631 -8.948 50 HH22 ARG 6 HH22 ARG 6 -3.372 -8.561 -9.748 51 H GLY 7 H GLY 7 -1.033 -3.648 -4.750 52 HA2 GLY 7 HA2 GLY 7 -2.941 -1.602 -4.111 53 HA3 GLY 7 HA3 GLY 7 -1.371 -1.329 -3.370 54 H GLY 8 H GLY 8 -1.589 0.641 -4.718 55 HA2 GLY 8 HA2 GLY 8 -1.322 0.356 -7.563 56 HA3 GLY 8 HA3 GLY 8 -1.248 1.851 -6.651 57 H ASP 9 H ASP 9 0.544 2.805 -7.278 58 HA ASP 9 HA ASP 9 2.865 1.460 -8.173 59 HB2 ASP 9 HB2 ASP 9 2.267 3.711 -8.947 60 HB3 ASP 9 HB3 ASP 9 2.498 4.339 -7.322 61 H TYR 10 H TYR 10 5.024 1.599 -7.220 62 HA TYR 10 HA TYR 10 5.273 0.572 -4.707 63 HB2 TYR 10 HB2 TYR 10 7.117 0.574 -6.275 64 HB3 TYR 10 HB3 TYR 10 7.225 2.327 -6.193 65 HD1 TYR 10 HD1 TYR 10 8.575 3.368 -4.587 66 HD2 TYR 10 HD2 TYR 10 7.602 -0.748 -4.157 67 HE1 TYR 10 HE1 TYR 10 10.179 3.190 -2.735 68 HE2 TYR 10 HE2 TYR 10 9.204 -0.940 -2.301 69 HH TYR 10 HH TYR 10 11.200 0.206 -1.461 70 H ASP 11 H ASP 11 5.568 3.993 -5.607 71 HA ASP 11 HA ASP 11 6.161 5.043 -3.102 72 HB2 ASP 11 HB2 ASP 11 6.270 6.317 -5.213 73 HB3 ASP 11 HB3 ASP 11 4.516 6.301 -5.302 74 H CYS 12 H CYS 12 3.088 4.158 -4.519 75 HA CYS 12 HA CYS 12 1.444 5.271 -2.481 76 HB2 CYS 12 HB2 CYS 12 0.453 4.898 -4.618 77 HB3 CYS 12 HB3 CYS 12 0.979 3.221 -4.644 78 H ARG 13 H ARG 13 3.132 2.259 -2.930 79 HA ARG 13 HA ARG 13 1.666 0.865 -0.871 80 HB2 ARG 13 HB2 ARG 13 4.265 0.102 -2.212 81 HB3 ARG 13 HB3 ARG 13 3.230 -0.957 -1.266 82 HG2 ARG 13 HG2 ARG 13 1.443 -0.636 -2.949 83 HG3 ARG 13 HG3 ARG 13 2.575 0.313 -3.915 84 HD2 ARG 13 HD2 ARG 13 4.077 -1.648 -4.007 85 HD3 ARG 13 HD3 ARG 13 2.871 -2.585 -3.125 86 HE ARG 13 HE ARG 13 1.989 -1.334 -5.600 87 HH11 ARG 13 HH11 ARG 13 3.158 -4.224 -4.007 88 HH12 ARG 13 HH12 ARG 13 2.578 -5.287 -5.244 89 HH21 ARG 13 HH21 ARG 13 1.227 -2.730 -7.227 90 HH22 ARG 13 HH22 ARG 13 1.485 -4.439 -7.081 91 H VAL 14 H VAL 14 4.400 2.928 -1.045 92 HA VAL 14 HA VAL 14 5.624 2.006 1.380 93 HB VAL 14 HB VAL 14 6.091 4.529 -0.210 94 HG11 VAL 14 HG11 VAL 14 8.191 4.701 1.047 95 HG12 VAL 14 HG12 VAL 14 7.713 3.316 2.027 96 HG13 VAL 14 HG13 VAL 14 6.787 4.816 2.110 97 HG21 VAL 14 HG21 VAL 14 7.620 1.936 -0.106 98 HG22 VAL 14 HG22 VAL 14 8.088 3.373 -1.013 99 HG23 VAL 14 HG23 VAL 14 6.619 2.498 -1.444 100 H LYS 15 H LYS 15 3.734 4.847 0.422 101 HA LYS 15 HA LYS 15 3.578 5.678 3.215 102 HB2 LYS 15 HB2 LYS 15 2.608 7.756 2.333 103 HB3 LYS 15 HB3 LYS 15 4.154 7.383 1.586 104 HG2 LYS 15 HG2 LYS 15 3.114 6.663 -0.419 105 HG3 LYS 15 HG3 LYS 15 1.518 6.715 0.325 106 HD2 LYS 15 HD2 LYS 15 1.949 8.642 -1.160 107 HD3 LYS 15 HD3 LYS 15 1.628 9.116 0.507 108 HE2 LYS 15 HE2 LYS 15 3.477 10.400 -0.442 109 HE3 LYS 15 HE3 LYS 15 4.017 9.400 0.902 110 HZ1 LYS 15 HZ1 LYS 15 5.544 9.348 -0.990 111 HZ2 LYS 15 HZ2 LYS 15 4.329 8.689 -1.969 112 HZ3 LYS 15 HZ3 LYS 15 4.920 7.817 -0.644 113 H GLY 16 H GLY 16 1.970 3.515 1.535 114 HA2 GLY 16 HA2 GLY 16 -0.721 4.428 2.189 115 HA3 GLY 16 HA3 GLY 16 -0.311 3.023 1.214 116 H THR 17 H THR 17 -2.186 3.154 3.354 117 HA THR 17 HA THR 17 -0.957 1.588 5.476 118 HB THR 17 HB THR 17 -3.378 1.606 6.355 119 HG1 THR 17 HG1 THR 17 -4.524 2.300 4.600 120 HG21 THR 17 HG21 THR 17 -1.834 4.189 6.110 121 HG22 THR 17 HG22 THR 17 -1.608 2.954 7.347 122 HG23 THR 17 HG23 THR 17 -3.112 3.872 7.284 123 H CYS 18 H CYS 18 -1.142 -0.553 5.627 124 HA CYS 18 HA CYS 18 -2.389 -1.958 3.420 125 HB2 CYS 18 HB2 CYS 18 -0.107 -2.534 4.230 126 HB3 CYS 18 HB3 CYS 18 -0.813 -3.045 5.758 127 H GLU 19 H GLU 19 -4.507 -2.346 3.572 128 HA GLU 19 HA GLU 19 -5.503 -3.525 6.070 129 HB2 GLU 19 HB2 GLU 19 -6.853 -1.323 4.513 130 HB3 GLU 19 HB3 GLU 19 -7.621 -2.240 5.796 131 HG2 GLU 19 HG2 GLU 19 -5.834 -1.410 7.337 132 HG3 GLU 19 HG3 GLU 19 -5.291 -0.359 6.032 133 H ASN 20 H ASN 20 -6.474 -5.367 5.720 134 HA ASN 20 HA ASN 20 -7.678 -7.050 4.800 135 HB2 ASN 20 HB2 ASN 20 -9.055 -4.753 3.406 136 HB3 ASN 20 HB3 ASN 20 -9.674 -6.399 3.487 137 HD21 ASN 20 HD21 ASN 20 -10.499 -7.168 5.423 138 HD22 ASN 20 HD22 ASN 20 -10.883 -6.117 6.740 139 H GLY 21 H GLY 21 -5.240 -6.602 3.539 140 HA2 GLY 21 HA2 GLY 21 -4.153 -7.548 1.735 141 HA3 GLY 21 HA3 GLY 21 -5.723 -7.998 1.084 142 H LYS 22 H LYS 22 -5.671 -4.728 1.822 143 HA LYS 22 HA LYS 22 -4.895 -4.041 -0.929 144 HB2 LYS 22 HB2 LYS 22 -7.314 -3.145 0.623 145 HB3 LYS 22 HB3 LYS 22 -6.718 -2.261 -0.770 146 HG2 LYS 22 HG2 LYS 22 -7.520 -5.160 -0.841 147 HG3 LYS 22 HG3 LYS 22 -8.599 -3.824 -1.246 148 HD2 LYS 22 HD2 LYS 22 -5.971 -4.383 -2.622 149 HD3 LYS 22 HD3 LYS 22 -7.548 -4.890 -3.228 150 HE2 LYS 22 HE2 LYS 22 -8.253 -2.530 -3.308 151 HE3 LYS 22 HE3 LYS 22 -6.651 -2.046 -2.754 152 HZ1 LYS 22 HZ1 LYS 22 -5.703 -2.997 -4.750 153 HZ2 LYS 22 HZ2 LYS 22 -6.878 -1.851 -5.152 154 HZ3 LYS 22 HZ3 LYS 22 -7.228 -3.501 -5.276 155 H CYS 23 H CYS 23 -3.617 -2.348 -1.173 156 HA CYS 23 HA CYS 23 -2.701 -0.924 1.185 157 HB2 CYS 23 HB2 CYS 23 -1.166 -1.782 -0.647 158 HB3 CYS 23 HB3 CYS 23 -1.828 -0.513 -1.669 159 H VAL 24 H VAL 24 -3.306 1.073 1.732 160 HA VAL 24 HA VAL 24 -4.952 2.587 -0.194 161 HB VAL 24 HB VAL 24 -5.206 2.762 2.800 162 HG11 VAL 24 HG11 VAL 24 -7.369 3.764 2.294 163 HG12 VAL 24 HG12 VAL 24 -7.076 3.545 0.570 164 HG13 VAL 24 HG13 VAL 24 -6.065 4.648 1.501 165 HG21 VAL 24 HG21 VAL 24 -6.800 1.021 0.927 166 HG22 VAL 24 HG22 VAL 24 -7.190 1.318 2.619 167 HG23 VAL 24 HG23 VAL 24 -5.705 0.468 2.194 168 H CYS 25 H CYS 25 -3.573 4.113 -0.950 169 HA CYS 25 HA CYS 25 -1.905 5.541 0.987 170 HB2 CYS 25 HB2 CYS 25 -0.719 6.417 -1.043 171 HB3 CYS 25 HB3 CYS 25 -0.608 4.675 -0.822 172 H GLY 26 H GLY 26 -4.132 6.427 1.588 173 HA2 GLY 26 HA2 GLY 26 -4.356 9.061 0.418 174 HA3 GLY 26 HA3 GLY 26 -5.763 8.035 0.178 175 H SER 27 H SER 27 -7.076 9.409 1.425 176 HA SER 27 HA SER 27 -6.936 8.871 4.263 177 HB2 SER 27 HB2 SER 27 -6.910 11.723 3.233 178 HB3 SER 27 HB3 SER 27 -7.094 11.243 4.919 179 HG SER 27 HG SER 27 -4.921 10.060 3.879 Start of MODEL 2 1 H1 LEU 1 H1 LEU 1 1.899 1.323 4.835 2 H2 LEU 1 H2 LEU 1 3.261 1.632 5.789 3 H3 LEU 1 H3 LEU 1 2.283 0.294 6.121 4 HA LEU 1 HA LEU 1 3.872 0.680 3.657 5 HB2 LEU 1 HB2 LEU 1 4.321 -1.018 6.108 6 HB3 LEU 1 HB3 LEU 1 5.126 -1.325 4.583 7 HG LEU 1 HG LEU 1 5.381 1.253 6.133 8 HD11 LEU 1 HD11 LEU 1 7.253 -1.107 5.991 9 HD12 LEU 1 HD12 LEU 1 6.315 -0.609 7.399 10 HD13 LEU 1 HD13 LEU 1 7.589 0.436 6.776 11 HD21 LEU 1 HD21 LEU 1 6.916 0.140 3.785 12 HD22 LEU 1 HD22 LEU 1 7.299 1.629 4.648 13 HD23 LEU 1 HD23 LEU 1 5.791 1.497 3.744 14 H CYS 2 H CYS 2 3.461 -0.714 2.052 15 HA CYS 2 HA CYS 2 1.450 -2.809 2.566 16 HB2 CYS 2 HB2 CYS 2 1.972 -1.449 -0.076 17 HB3 CYS 2 HB3 CYS 2 0.623 -2.493 0.340 18 H LEU 3 H LEU 3 2.905 -4.440 2.989 19 HA LEU 3 HA LEU 3 5.042 -4.956 1.091 20 HB2 LEU 3 HB2 LEU 3 4.313 -6.232 3.724 21 HB3 LEU 3 HB3 LEU 3 5.595 -6.835 2.697 22 HG LEU 3 HG LEU 3 6.697 -4.573 2.915 23 HD11 LEU 3 HD11 LEU 3 4.691 -4.240 5.134 24 HD12 LEU 3 HD12 LEU 3 4.737 -3.308 3.639 25 HD13 LEU 3 HD13 LEU 3 6.061 -3.181 4.799 26 HD21 LEU 3 HD21 LEU 3 7.447 -6.536 4.149 27 HD22 LEU 3 HD22 LEU 3 6.290 -6.177 5.431 28 HD23 LEU 3 HD23 LEU 3 7.623 -5.068 5.109 29 H SER 4 H SER 4 2.477 -6.919 2.608 30 HA SER 4 HA SER 4 2.676 -8.860 0.467 31 HB2 SER 4 HB2 SER 4 0.711 -8.813 2.761 32 HB3 SER 4 HB3 SER 4 1.171 -10.199 1.776 33 HG SER 4 HG SER 4 3.415 -9.358 2.702 34 H CYS 5 H CYS 5 0.616 -6.229 1.412 35 HA CYS 5 HA CYS 5 -1.541 -7.062 -0.333 36 HB2 CYS 5 HB2 CYS 5 -2.571 -4.887 0.489 37 HB3 CYS 5 HB3 CYS 5 -2.280 -6.125 1.709 38 H ARG 6 H ARG 6 -2.128 -6.110 -2.199 39 HA ARG 6 HA ARG 6 -0.279 -4.108 -3.312 40 HB2 ARG 6 HB2 ARG 6 -1.965 -6.205 -4.686 41 HB3 ARG 6 HB3 ARG 6 -1.145 -4.914 -5.545 42 HG2 ARG 6 HG2 ARG 6 0.274 -6.727 -5.774 43 HG3 ARG 6 HG3 ARG 6 0.992 -5.805 -4.457 44 HD2 ARG 6 HD2 ARG 6 0.979 -8.191 -3.954 45 HD3 ARG 6 HD3 ARG 6 -0.050 -7.301 -2.833 46 HE ARG 6 HE ARG 6 -1.724 -8.130 -4.848 47 HH11 ARG 6 HH11 ARG 6 0.420 -9.702 -2.570 48 HH12 ARG 6 HH12 ARG 6 -0.527 -11.151 -2.492 49 HH21 ARG 6 HH21 ARG 6 -2.984 -10.024 -4.725 50 HH22 ARG 6 HH22 ARG 6 -2.458 -11.340 -3.728 51 H GLY 7 H GLY 7 -1.706 -3.156 -5.386 52 HA2 GLY 7 HA2 GLY 7 -3.953 -2.261 -5.842 53 HA3 GLY 7 HA3 GLY 7 -4.123 -2.035 -4.105 54 H GLY 8 H GLY 8 -1.274 -1.351 -6.008 55 HA2 GLY 8 HA2 GLY 8 -1.430 1.248 -6.667 56 HA3 GLY 8 HA3 GLY 8 -1.161 1.321 -4.931 57 H ASP 9 H ASP 9 0.626 2.313 -6.901 58 HA ASP 9 HA ASP 9 2.708 0.398 -7.345 59 HB2 ASP 9 HB2 ASP 9 2.644 3.393 -7.712 60 HB3 ASP 9 HB3 ASP 9 4.007 2.377 -8.162 61 H TYR 10 H TYR 10 5.046 1.329 -6.786 62 HA TYR 10 HA TYR 10 5.500 0.818 -4.119 63 HB2 TYR 10 HB2 TYR 10 7.263 0.767 -5.817 64 HB3 TYR 10 HB3 TYR 10 7.172 2.517 -5.975 65 HD1 TYR 10 HD1 TYR 10 8.337 3.939 -4.491 66 HD2 TYR 10 HD2 TYR 10 8.060 -0.223 -3.671 67 HE1 TYR 10 HE1 TYR 10 10.019 4.183 -2.715 68 HE2 TYR 10 HE2 TYR 10 9.734 0.008 -1.892 69 HH TYR 10 HH TYR 10 11.537 1.494 -1.246 70 H ASP 11 H ASP 11 5.248 3.954 -5.722 71 HA ASP 11 HA ASP 11 5.658 5.712 -3.668 72 HB2 ASP 11 HB2 ASP 11 5.309 6.602 -5.823 73 HB3 ASP 11 HB3 ASP 11 3.768 5.775 -6.007 74 H CYS 12 H CYS 12 2.763 3.824 -4.311 75 HA CYS 12 HA CYS 12 1.313 5.064 -2.139 76 HB2 CYS 12 HB2 CYS 12 0.690 2.994 -4.200 77 HB3 CYS 12 HB3 CYS 12 -0.316 3.098 -2.757 78 H ARG 13 H ARG 13 3.276 2.251 -2.657 79 HA ARG 13 HA ARG 13 2.086 0.811 -0.446 80 HB2 ARG 13 HB2 ARG 13 4.439 0.126 -2.213 81 HB3 ARG 13 HB3 ARG 13 3.737 -0.949 -1.013 82 HG2 ARG 13 HG2 ARG 13 1.552 -0.699 -2.254 83 HG3 ARG 13 HG3 ARG 13 2.479 0.090 -3.530 84 HD2 ARG 13 HD2 ARG 13 2.979 -2.694 -2.482 85 HD3 ARG 13 HD3 ARG 13 2.092 -2.312 -3.955 86 HE ARG 13 HE ARG 13 4.967 -1.835 -3.525 87 HH11 ARG 13 HH11 ARG 13 2.223 -2.180 -5.694 88 HH12 ARG 13 HH12 ARG 13 3.214 -2.429 -7.096 89 HH21 ARG 13 HH21 ARG 13 6.257 -2.168 -5.387 90 HH22 ARG 13 HH22 ARG 13 5.491 -2.441 -6.917 91 H VAL 14 H VAL 14 4.771 2.903 -0.962 92 HA VAL 14 HA VAL 14 6.217 1.992 1.346 93 HB VAL 14 HB VAL 14 7.404 2.913 -0.596 94 HG11 VAL 14 HG11 VAL 14 6.170 5.549 0.180 95 HG12 VAL 14 HG12 VAL 14 5.825 4.626 -1.280 96 HG13 VAL 14 HG13 VAL 14 7.427 5.317 -1.034 97 HG21 VAL 14 HG21 VAL 14 7.767 4.498 1.942 98 HG22 VAL 14 HG22 VAL 14 8.944 4.397 0.631 99 HG23 VAL 14 HG23 VAL 14 8.518 2.951 1.549 100 H LYS 15 H LYS 15 3.712 4.319 0.751 101 HA LYS 15 HA LYS 15 3.939 5.136 3.557 102 HB2 LYS 15 HB2 LYS 15 3.326 7.448 2.954 103 HB3 LYS 15 HB3 LYS 15 4.877 6.952 2.298 104 HG2 LYS 15 HG2 LYS 15 3.800 6.549 0.122 105 HG3 LYS 15 HG3 LYS 15 2.278 7.137 0.798 106 HD2 LYS 15 HD2 LYS 15 3.379 9.294 1.304 107 HD3 LYS 15 HD3 LYS 15 4.852 8.695 0.538 108 HE2 LYS 15 HE2 LYS 15 3.613 10.112 -0.995 109 HE3 LYS 15 HE3 LYS 15 3.635 8.450 -1.582 110 HZ1 LYS 15 HZ1 LYS 15 1.447 9.501 -1.779 111 HZ2 LYS 15 HZ2 LYS 15 1.380 9.692 -0.103 112 HZ3 LYS 15 HZ3 LYS 15 1.405 8.144 -0.777 113 H GLY 16 H GLY 16 2.138 3.364 1.783 114 HA2 GLY 16 HA2 GLY 16 -0.438 4.596 2.457 115 HA3 GLY 16 HA3 GLY 16 -0.201 3.254 1.343 116 H THR 17 H THR 17 -2.132 3.123 3.278 117 HA THR 17 HA THR 17 -1.022 1.530 5.464 118 HB THR 17 HB THR 17 -3.367 1.575 6.345 119 HG1 THR 17 HG1 THR 17 -4.191 2.061 4.098 120 HG21 THR 17 HG21 THR 17 -3.321 3.934 7.023 121 HG22 THR 17 HG22 THR 17 -2.126 4.268 5.771 122 HG23 THR 17 HG23 THR 17 -1.718 3.204 7.117 123 H CYS 18 H CYS 18 -1.258 -0.621 5.593 124 HA CYS 18 HA CYS 18 -2.442 -2.019 3.347 125 HB2 CYS 18 HB2 CYS 18 -0.231 -2.643 4.448 126 HB3 CYS 18 HB3 CYS 18 -1.182 -3.227 5.808 127 H GLU 19 H GLU 19 -4.635 -1.951 3.468 128 HA GLU 19 HA GLU 19 -5.872 -2.809 6.002 129 HB2 GLU 19 HB2 GLU 19 -6.738 -0.651 4.092 130 HB3 GLU 19 HB3 GLU 19 -7.798 -1.316 5.323 131 HG2 GLU 19 HG2 GLU 19 -5.162 0.033 5.863 132 HG3 GLU 19 HG3 GLU 19 -6.744 0.801 5.998 133 H ASN 20 H ASN 20 -7.028 -4.579 5.845 134 HA ASN 20 HA ASN 20 -8.449 -6.187 5.118 135 HB2 ASN 20 HB2 ASN 20 -9.825 -4.132 4.540 136 HB3 ASN 20 HB3 ASN 20 -9.235 -4.299 2.893 137 HD21 ASN 20 HD21 ASN 20 -11.244 -5.655 5.369 138 HD22 ASN 20 HD22 ASN 20 -12.135 -6.724 4.345 139 H GLY 21 H GLY 21 -5.695 -5.744 3.936 140 HA2 GLY 21 HA2 GLY 21 -4.423 -7.171 2.596 141 HA3 GLY 21 HA3 GLY 21 -5.910 -7.791 1.891 142 H LYS 22 H LYS 22 -5.904 -4.440 1.965 143 HA LYS 22 HA LYS 22 -4.872 -4.290 -0.786 144 HB2 LYS 22 HB2 LYS 22 -7.325 -4.062 -0.754 145 HB3 LYS 22 HB3 LYS 22 -7.189 -2.757 0.416 146 HG2 LYS 22 HG2 LYS 22 -5.866 -1.483 -1.283 147 HG3 LYS 22 HG3 LYS 22 -6.268 -2.744 -2.448 148 HD2 LYS 22 HD2 LYS 22 -8.659 -2.283 -2.090 149 HD3 LYS 22 HD3 LYS 22 -8.225 -0.999 -0.957 150 HE2 LYS 22 HE2 LYS 22 -7.423 -1.098 -3.865 151 HE3 LYS 22 HE3 LYS 22 -8.751 -0.144 -3.216 152 HZ1 LYS 22 HZ1 LYS 22 -7.253 1.203 -2.001 153 HZ2 LYS 22 HZ2 LYS 22 -6.616 1.079 -3.561 154 HZ3 LYS 22 HZ3 LYS 22 -5.944 0.171 -2.305 155 H CYS 23 H CYS 23 -3.477 -2.679 -1.224 156 HA CYS 23 HA CYS 23 -2.484 -1.034 0.900 157 HB2 CYS 23 HB2 CYS 23 -1.106 -1.885 -1.032 158 HB3 CYS 23 HB3 CYS 23 -1.964 -0.743 -2.062 159 H VAL 24 H VAL 24 -3.265 0.847 1.524 160 HA VAL 24 HA VAL 24 -5.061 2.301 -0.301 161 HB VAL 24 HB VAL 24 -5.209 2.192 2.717 162 HG11 VAL 24 HG11 VAL 24 -7.366 3.365 2.404 163 HG12 VAL 24 HG12 VAL 24 -6.990 3.532 0.690 164 HG13 VAL 24 HG13 VAL 24 -5.976 4.322 1.896 165 HG21 VAL 24 HG21 VAL 24 -6.985 0.924 0.634 166 HG22 VAL 24 HG22 VAL 24 -7.305 0.950 2.368 167 HG23 VAL 24 HG23 VAL 24 -5.903 0.080 1.743 168 H CYS 25 H CYS 25 -3.756 3.830 -1.098 169 HA CYS 25 HA CYS 25 -2.129 5.427 0.757 170 HB2 CYS 25 HB2 CYS 25 -0.982 6.228 -1.284 171 HB3 CYS 25 HB3 CYS 25 -0.901 4.477 -1.119 172 H GLY 26 H GLY 26 -4.684 5.967 1.097 173 HA2 GLY 26 HA2 GLY 26 -6.093 7.852 1.091 174 HA3 GLY 26 HA3 GLY 26 -5.190 8.492 -0.280 175 H SER 27 H SER 27 -5.516 5.501 -1.163 176 HA SER 27 HA SER 27 -8.299 5.397 -1.932 177 HB2 SER 27 HB2 SER 27 -6.108 5.451 -4.034 178 HB3 SER 27 HB3 SER 27 -7.830 5.211 -4.330 179 HG SER 27 HG SER 27 -7.669 7.421 -2.947 Start of MODEL 3 1 H1 LEU 1 H1 LEU 1 2.264 1.496 4.413 2 H2 LEU 1 H2 LEU 1 3.619 2.078 5.240 3 H3 LEU 1 H3 LEU 1 2.663 0.871 5.934 4 HA LEU 1 HA LEU 1 4.305 0.604 3.491 5 HB2 LEU 1 HB2 LEU 1 4.609 -0.498 6.287 6 HB3 LEU 1 HB3 LEU 1 5.509 -1.102 4.912 7 HG LEU 1 HG LEU 1 5.655 1.758 5.876 8 HD11 LEU 1 HD11 LEU 1 7.509 -0.555 6.429 9 HD12 LEU 1 HD12 LEU 1 6.475 0.251 7.608 10 HD13 LEU 1 HD13 LEU 1 7.807 1.130 6.858 11 HD21 LEU 1 HD21 LEU 1 7.351 0.153 3.966 12 HD22 LEU 1 HD22 LEU 1 7.704 1.789 4.512 13 HD23 LEU 1 HD23 LEU 1 6.266 1.478 3.545 14 H CYS 2 H CYS 2 4.080 -1.253 2.347 15 HA CYS 2 HA CYS 2 2.008 -3.144 3.246 16 HB2 CYS 2 HB2 CYS 2 2.801 -2.301 0.458 17 HB3 CYS 2 HB3 CYS 2 1.766 -3.681 0.791 18 H LEU 3 H LEU 3 2.903 -4.945 3.952 19 HA LEU 3 HA LEU 3 5.520 -5.760 2.979 20 HB2 LEU 3 HB2 LEU 3 3.796 -6.969 5.139 21 HB3 LEU 3 HB3 LEU 3 5.462 -7.391 4.799 22 HG LEU 3 HG LEU 3 4.478 -4.739 5.851 23 HD11 LEU 3 HD11 LEU 3 4.404 -6.516 7.512 24 HD12 LEU 3 HD12 LEU 3 5.681 -5.358 7.880 25 HD13 LEU 3 HD13 LEU 3 6.086 -6.920 7.169 26 HD21 LEU 3 HD21 LEU 3 6.867 -4.194 6.102 27 HD22 LEU 3 HD22 LEU 3 6.392 -4.386 4.417 28 HD23 LEU 3 HD23 LEU 3 7.279 -5.673 5.234 29 H SER 4 H SER 4 2.190 -6.889 3.049 30 HA SER 4 HA SER 4 2.809 -8.694 0.835 31 HB2 SER 4 HB2 SER 4 1.285 -9.560 3.303 32 HB3 SER 4 HB3 SER 4 1.578 -10.538 1.868 33 HG SER 4 HG SER 4 3.924 -9.951 2.435 34 H CYS 5 H CYS 5 1.639 -6.370 0.365 35 HA CYS 5 HA CYS 5 -1.192 -7.017 -0.011 36 HB2 CYS 5 HB2 CYS 5 -0.266 -4.312 0.961 37 HB3 CYS 5 HB3 CYS 5 -1.927 -4.872 0.778 38 H ARG 6 H ARG 6 -2.238 -5.527 -1.594 39 HA ARG 6 HA ARG 6 -0.310 -4.458 -3.540 40 HB2 ARG 6 HB2 ARG 6 -2.689 -6.217 -4.142 41 HB3 ARG 6 HB3 ARG 6 -1.763 -5.355 -5.361 42 HG2 ARG 6 HG2 ARG 6 0.243 -6.623 -4.670 43 HG3 ARG 6 HG3 ARG 6 -0.769 -7.540 -3.551 44 HD2 ARG 6 HD2 ARG 6 -0.435 -8.762 -5.637 45 HD3 ARG 6 HD3 ARG 6 -2.130 -8.325 -5.422 46 HE ARG 6 HE ARG 6 -0.867 -6.318 -6.922 47 HH11 ARG 6 HH11 ARG 6 -1.868 -9.656 -7.235 48 HH12 ARG 6 HH12 ARG 6 -2.060 -9.562 -8.957 49 HH21 ARG 6 HH21 ARG 6 -1.112 -6.191 -9.170 50 HH22 ARG 6 HH22 ARG 6 -1.607 -7.595 -10.063 51 H GLY 7 H GLY 7 -1.364 -3.016 -5.147 52 HA2 GLY 7 HA2 GLY 7 -3.474 -1.826 -5.678 53 HA3 GLY 7 HA3 GLY 7 -3.661 -1.612 -3.944 54 H GLY 8 H GLY 8 -3.196 0.150 -6.450 55 HA2 GLY 8 HA2 GLY 8 -2.487 2.341 -6.609 56 HA3 GLY 8 HA3 GLY 8 -1.839 2.204 -4.985 57 H ASP 9 H ASP 9 -0.194 3.566 -6.127 58 HA ASP 9 HA ASP 9 1.644 2.267 -7.902 59 HB2 ASP 9 HB2 ASP 9 1.249 4.726 -7.913 60 HB3 ASP 9 HB3 ASP 9 1.963 4.825 -6.312 61 H TYR 10 H TYR 10 4.042 2.138 -7.267 62 HA TYR 10 HA TYR 10 4.476 0.497 -5.075 63 HB2 TYR 10 HB2 TYR 10 6.109 0.728 -6.881 64 HB3 TYR 10 HB3 TYR 10 6.421 2.393 -6.402 65 HD1 TYR 10 HD1 TYR 10 7.918 2.903 -4.639 66 HD2 TYR 10 HD2 TYR 10 6.770 -1.128 -5.354 67 HE1 TYR 10 HE1 TYR 10 9.664 2.137 -3.087 68 HE2 TYR 10 HE2 TYR 10 8.511 -1.906 -3.807 69 HH TYR 10 HH TYR 10 10.639 -1.122 -2.881 70 H ASP 11 H ASP 11 4.711 3.985 -5.390 71 HA ASP 11 HA ASP 11 5.685 4.642 -2.862 72 HB2 ASP 11 HB2 ASP 11 5.553 6.283 -4.617 73 HB3 ASP 11 HB3 ASP 11 3.806 6.110 -4.712 74 H CYS 12 H CYS 12 2.445 3.807 -3.907 75 HA CYS 12 HA CYS 12 1.132 4.560 -1.487 76 HB2 CYS 12 HB2 CYS 12 0.326 2.739 -3.755 77 HB3 CYS 12 HB3 CYS 12 -0.731 3.125 -2.402 78 H ARG 13 H ARG 13 2.992 1.875 -2.506 79 HA ARG 13 HA ARG 13 1.978 0.113 -0.425 80 HB2 ARG 13 HB2 ARG 13 4.322 -0.301 -2.292 81 HB3 ARG 13 HB3 ARG 13 3.505 -1.530 -1.337 82 HG2 ARG 13 HG2 ARG 13 1.447 -1.114 -2.650 83 HG3 ARG 13 HG3 ARG 13 2.368 0.003 -3.660 84 HD2 ARG 13 HD2 ARG 13 3.933 -1.883 -4.160 85 HD3 ARG 13 HD3 ARG 13 2.822 -2.954 -3.310 86 HE ARG 13 HE ARG 13 1.821 -1.370 -5.558 87 HH11 ARG 13 HH11 ARG 13 2.662 -4.481 -4.189 88 HH12 ARG 13 HH12 ARG 13 1.944 -5.381 -5.484 89 HH21 ARG 13 HH21 ARG 13 0.854 -2.560 -7.256 90 HH22 ARG 13 HH22 ARG 13 0.901 -4.296 -7.215 91 H VAL 14 H VAL 14 4.088 2.656 -0.630 92 HA VAL 14 HA VAL 14 5.828 1.628 1.481 93 HB VAL 14 HB VAL 14 6.092 4.156 -0.153 94 HG11 VAL 14 HG11 VAL 14 8.344 4.296 0.826 95 HG12 VAL 14 HG12 VAL 14 7.981 2.901 1.837 96 HG13 VAL 14 HG13 VAL 14 7.085 4.403 2.057 97 HG21 VAL 14 HG21 VAL 14 7.966 3.008 -1.236 98 HG22 VAL 14 HG22 VAL 14 6.444 2.153 -1.491 99 HG23 VAL 14 HG23 VAL 14 7.605 1.553 -0.308 100 H LYS 15 H LYS 15 4.114 4.692 0.730 101 HA LYS 15 HA LYS 15 4.069 5.200 3.605 102 HB2 LYS 15 HB2 LYS 15 3.576 7.495 3.097 103 HB3 LYS 15 HB3 LYS 15 4.932 6.965 2.116 104 HG2 LYS 15 HG2 LYS 15 3.467 6.743 0.185 105 HG3 LYS 15 HG3 LYS 15 2.090 7.249 1.168 106 HD2 LYS 15 HD2 LYS 15 3.277 9.386 1.631 107 HD3 LYS 15 HD3 LYS 15 4.552 8.876 0.528 108 HE2 LYS 15 HE2 LYS 15 3.057 10.381 -0.618 109 HE3 LYS 15 HE3 LYS 15 2.881 8.764 -1.294 110 HZ1 LYS 15 HZ1 LYS 15 0.737 9.813 -0.967 111 HZ2 LYS 15 HZ2 LYS 15 1.061 10.031 0.681 112 HZ3 LYS 15 HZ3 LYS 15 0.890 8.468 0.054 113 H GLY 16 H GLY 16 2.096 3.814 1.363 114 HA2 GLY 16 HA2 GLY 16 -0.410 4.800 2.425 115 HA3 GLY 16 HA3 GLY 16 -0.209 3.550 1.203 116 H THR 17 H THR 17 -2.045 3.195 3.146 117 HA THR 17 HA THR 17 -0.795 1.426 5.136 118 HB THR 17 HB THR 17 -3.009 1.625 6.319 119 HG1 THR 17 HG1 THR 17 -4.111 2.383 4.344 120 HG21 THR 17 HG21 THR 17 -2.573 3.864 7.206 121 HG22 THR 17 HG22 THR 17 -1.522 4.208 5.832 122 HG23 THR 17 HG23 THR 17 -1.071 2.965 6.998 123 H CYS 18 H CYS 18 -1.181 -0.716 5.051 124 HA CYS 18 HA CYS 18 -2.843 -1.741 2.937 125 HB2 CYS 18 HB2 CYS 18 -0.783 -2.921 3.415 126 HB3 CYS 18 HB3 CYS 18 -1.276 -3.161 5.090 127 H GLU 19 H GLU 19 -4.932 -1.822 3.139 128 HA GLU 19 HA GLU 19 -6.079 -2.586 5.740 129 HB2 GLU 19 HB2 GLU 19 -7.174 -0.741 3.615 130 HB3 GLU 19 HB3 GLU 19 -8.124 -1.333 4.964 131 HG2 GLU 19 HG2 GLU 19 -6.547 -0.269 6.523 132 HG3 GLU 19 HG3 GLU 19 -5.645 0.359 5.149 133 H ASN 20 H ASN 20 -6.804 -4.566 5.700 134 HA ASN 20 HA ASN 20 -7.608 -6.567 5.027 135 HB2 ASN 20 HB2 ASN 20 -9.258 -4.775 3.248 136 HB3 ASN 20 HB3 ASN 20 -9.514 -6.509 3.373 137 HD21 ASN 20 HD21 ASN 20 -9.870 -3.445 4.920 138 HD22 ASN 20 HD22 ASN 20 -10.835 -3.995 6.245 139 H GLY 21 H GLY 21 -5.200 -5.636 3.809 140 HA2 GLY 21 HA2 GLY 21 -3.768 -6.798 2.368 141 HA3 GLY 21 HA3 GLY 21 -5.170 -7.473 1.550 142 H LYS 22 H LYS 22 -5.787 -4.264 1.822 143 HA LYS 22 HA LYS 22 -4.793 -3.804 -0.907 144 HB2 LYS 22 HB2 LYS 22 -7.239 -3.816 -0.672 145 HB3 LYS 22 HB3 LYS 22 -7.131 -2.556 0.546 146 HG2 LYS 22 HG2 LYS 22 -7.807 -1.572 -1.523 147 HG3 LYS 22 HG3 LYS 22 -6.166 -1.042 -1.153 148 HD2 LYS 22 HD2 LYS 22 -6.335 -1.595 -3.501 149 HD3 LYS 22 HD3 LYS 22 -5.293 -2.766 -2.692 150 HE2 LYS 22 HE2 LYS 22 -6.815 -3.865 -4.258 151 HE3 LYS 22 HE3 LYS 22 -7.139 -4.360 -2.600 152 HZ1 LYS 22 HZ1 LYS 22 -9.170 -3.898 -3.855 153 HZ2 LYS 22 HZ2 LYS 22 -8.675 -2.298 -4.087 154 HZ3 LYS 22 HZ3 LYS 22 -9.010 -2.863 -2.528 155 H CYS 23 H CYS 23 -3.261 -2.348 -1.180 156 HA CYS 23 HA CYS 23 -2.407 -0.624 0.938 157 HB2 CYS 23 HB2 CYS 23 -1.606 -0.675 -1.975 158 HB3 CYS 23 HB3 CYS 23 -0.783 0.225 -0.707 159 H VAL 24 H VAL 24 -3.712 0.964 1.505 160 HA VAL 24 HA VAL 24 -5.035 2.568 -0.559 161 HB VAL 24 HB VAL 24 -5.455 2.622 2.434 162 HG11 VAL 24 HG11 VAL 24 -7.510 3.841 1.887 163 HG12 VAL 24 HG12 VAL 24 -7.084 3.795 0.178 164 HG13 VAL 24 HG13 VAL 24 -6.079 4.697 1.311 165 HG21 VAL 24 HG21 VAL 24 -7.514 1.358 2.014 166 HG22 VAL 24 HG22 VAL 24 -6.086 0.444 1.526 167 HG23 VAL 24 HG23 VAL 24 -7.087 1.232 0.307 168 H CYS 25 H CYS 25 -4.169 4.451 -1.103 169 HA CYS 25 HA CYS 25 -2.394 5.763 0.833 170 HB2 CYS 25 HB2 CYS 25 -1.077 6.578 -1.109 171 HB3 CYS 25 HB3 CYS 25 -1.037 4.831 -0.917 172 H GLY 26 H GLY 26 -3.036 7.712 1.424 173 HA2 GLY 26 HA2 GLY 26 -5.155 9.086 0.028 174 HA3 GLY 26 HA3 GLY 26 -4.328 9.637 1.478 175 H SER 27 H SER 27 -3.704 9.088 -1.973 176 HA SER 27 HA SER 27 -2.541 10.239 -3.539 177 HB2 SER 27 HB2 SER 27 -2.677 12.606 -1.656 178 HB3 SER 27 HB3 SER 27 -2.388 12.649 -3.394 179 HG SER 27 HG SER 27 -4.678 11.321 -2.814 Start of MODEL 4 1 H1 LEU 1 H1 LEU 1 3.736 1.937 5.497 2 H2 LEU 1 H2 LEU 1 2.908 0.587 6.094 3 H3 LEU 1 H3 LEU 1 2.263 1.469 4.804 4 HA LEU 1 HA LEU 1 4.079 0.822 3.391 5 HB2 LEU 1 HB2 LEU 1 5.733 0.641 5.237 6 HB3 LEU 1 HB3 LEU 1 4.945 -0.828 5.770 7 HG LEU 1 HG LEU 1 5.546 -1.892 3.601 8 HD11 LEU 1 HD11 LEU 1 7.081 0.670 3.183 9 HD12 LEU 1 HD12 LEU 1 5.755 0.057 2.195 10 HD13 LEU 1 HD13 LEU 1 7.293 -0.801 2.236 11 HD21 LEU 1 HD21 LEU 1 6.916 -2.238 5.573 12 HD22 LEU 1 HD22 LEU 1 7.827 -0.770 5.218 13 HD23 LEU 1 HD23 LEU 1 7.926 -2.152 4.128 14 H CYS 2 H CYS 2 3.393 -0.683 1.971 15 HA CYS 2 HA CYS 2 1.467 -2.668 2.967 16 HB2 CYS 2 HB2 CYS 2 1.673 -1.450 0.214 17 HB3 CYS 2 HB3 CYS 2 0.409 -2.530 0.780 18 H LEU 3 H LEU 3 3.028 -4.285 3.353 19 HA LEU 3 HA LEU 3 4.406 -5.325 0.986 20 HB2 LEU 3 HB2 LEU 3 4.642 -6.141 3.880 21 HB3 LEU 3 HB3 LEU 3 5.607 -6.779 2.563 22 HG LEU 3 HG LEU 3 5.634 -3.937 3.577 23 HD11 LEU 3 HD11 LEU 3 6.730 -5.490 5.087 24 HD12 LEU 3 HD12 LEU 3 7.917 -4.469 4.277 25 HD13 LEU 3 HD13 LEU 3 7.685 -6.137 3.754 26 HD21 LEU 3 HD21 LEU 3 7.181 -5.244 1.345 27 HD22 LEU 3 HD22 LEU 3 7.559 -3.668 2.034 28 HD23 LEU 3 HD23 LEU 3 6.024 -3.919 1.204 29 H SER 4 H SER 4 1.948 -6.152 3.350 30 HA SER 4 HA SER 4 1.442 -8.681 1.962 31 HB2 SER 4 HB2 SER 4 1.622 -8.751 4.427 32 HB3 SER 4 HB3 SER 4 0.277 -7.621 4.549 33 HG SER 4 HG SER 4 -0.915 -9.288 3.293 34 H CYS 5 H CYS 5 0.763 -5.812 1.155 35 HA CYS 5 HA CYS 5 -2.025 -6.335 0.455 36 HB2 CYS 5 HB2 CYS 5 -0.959 -3.786 1.664 37 HB3 CYS 5 HB3 CYS 5 -2.494 -3.880 0.804 38 H ARG 6 H ARG 6 -2.667 -5.515 -1.510 39 HA ARG 6 HA ARG 6 -0.474 -4.488 -3.187 40 HB2 ARG 6 HB2 ARG 6 -2.828 -6.214 -3.969 41 HB3 ARG 6 HB3 ARG 6 -1.611 -5.598 -5.081 42 HG2 ARG 6 HG2 ARG 6 0.110 -6.876 -3.944 43 HG3 ARG 6 HG3 ARG 6 -1.079 -7.453 -2.773 44 HD2 ARG 6 HD2 ARG 6 -2.320 -8.526 -4.609 45 HD3 ARG 6 HD3 ARG 6 -1.074 -8.000 -5.737 46 HE ARG 6 HE ARG 6 0.356 -9.368 -3.925 47 HH11 ARG 6 HH11 ARG 6 -2.590 -10.140 -5.638 48 HH12 ARG 6 HH12 ARG 6 -2.284 -11.846 -5.671 49 HH21 ARG 6 HH21 ARG 6 0.775 -11.621 -3.957 50 HH22 ARG 6 HH22 ARG 6 -0.367 -12.692 -4.707 51 H GLY 7 H GLY 7 -1.363 -3.319 -5.171 52 HA2 GLY 7 HA2 GLY 7 -3.274 -1.992 -5.991 53 HA3 GLY 7 HA3 GLY 7 -3.588 -1.582 -4.310 54 H GLY 8 H GLY 8 -2.690 -0.161 -6.939 55 HA2 GLY 8 HA2 GLY 8 -1.628 1.862 -7.298 56 HA3 GLY 8 HA3 GLY 8 -1.167 1.868 -5.604 57 H ASP 9 H ASP 9 0.755 2.806 -6.928 58 HA ASP 9 HA ASP 9 2.525 0.658 -7.825 59 HB2 ASP 9 HB2 ASP 9 2.136 2.909 -9.094 60 HB3 ASP 9 HB3 ASP 9 3.244 3.568 -7.896 61 H TYR 10 H TYR 10 4.978 1.641 -7.236 62 HA TYR 10 HA TYR 10 5.428 0.652 -4.696 63 HB2 TYR 10 HB2 TYR 10 7.177 0.818 -6.370 64 HB3 TYR 10 HB3 TYR 10 7.095 2.574 -6.318 65 HD1 TYR 10 HD1 TYR 10 8.075 -0.433 -4.423 66 HD2 TYR 10 HD2 TYR 10 8.252 3.804 -4.662 67 HE1 TYR 10 HE1 TYR 10 9.817 -0.416 -2.687 68 HE2 TYR 10 HE2 TYR 10 9.988 3.840 -2.928 69 HH TYR 10 HH TYR 10 11.629 1.031 -1.917 70 H ASP 11 H ASP 11 5.308 4.059 -5.706 71 HA ASP 11 HA ASP 11 5.927 5.174 -3.225 72 HB2 ASP 11 HB2 ASP 11 5.060 7.265 -4.114 73 HB3 ASP 11 HB3 ASP 11 5.976 6.425 -5.357 74 H CYS 12 H CYS 12 2.873 4.064 -4.525 75 HA CYS 12 HA CYS 12 1.255 5.166 -2.454 76 HB2 CYS 12 HB2 CYS 12 0.176 4.601 -4.507 77 HB3 CYS 12 HB3 CYS 12 0.822 2.967 -4.474 78 H ARG 13 H ARG 13 3.087 2.230 -2.883 79 HA ARG 13 HA ARG 13 1.762 0.860 -0.704 80 HB2 ARG 13 HB2 ARG 13 4.174 0.016 -2.319 81 HB3 ARG 13 HB3 ARG 13 3.190 -1.015 -1.289 82 HG2 ARG 13 HG2 ARG 13 1.260 -0.599 -2.753 83 HG3 ARG 13 HG3 ARG 13 2.290 0.385 -3.794 84 HD2 ARG 13 HD2 ARG 13 3.727 -1.606 -4.154 85 HD3 ARG 13 HD3 ARG 13 2.569 -2.560 -3.227 86 HE ARG 13 HE ARG 13 1.535 -1.096 -5.522 87 HH11 ARG 13 HH11 ARG 13 2.596 -4.147 -4.174 88 HH12 ARG 13 HH12 ARG 13 1.851 -5.093 -5.421 89 HH21 ARG 13 HH21 ARG 13 0.550 -2.333 -7.148 90 HH22 ARG 13 HH22 ARG 13 0.672 -4.068 -7.107 91 H VAL 14 H VAL 14 4.240 3.088 -0.941 92 HA VAL 14 HA VAL 14 5.750 2.068 1.309 93 HB VAL 14 HB VAL 14 5.999 4.649 -0.241 94 HG11 VAL 14 HG11 VAL 14 8.122 4.967 0.932 95 HG12 VAL 14 HG12 VAL 14 7.809 3.526 1.899 96 HG13 VAL 14 HG13 VAL 14 6.771 4.942 2.066 97 HG21 VAL 14 HG21 VAL 14 8.025 3.619 -1.140 98 HG22 VAL 14 HG22 VAL 14 6.596 2.656 -1.509 99 HG23 VAL 14 HG23 VAL 14 7.689 2.153 -0.220 100 H LYS 15 H LYS 15 3.738 4.920 0.616 101 HA LYS 15 HA LYS 15 3.720 5.570 3.454 102 HB2 LYS 15 HB2 LYS 15 2.538 7.634 2.741 103 HB3 LYS 15 HB3 LYS 15 4.095 7.416 1.958 104 HG2 LYS 15 HG2 LYS 15 3.005 6.627 -0.056 105 HG3 LYS 15 HG3 LYS 15 1.434 6.776 0.725 106 HD2 LYS 15 HD2 LYS 15 3.190 9.173 0.632 107 HD3 LYS 15 HD3 LYS 15 2.394 8.668 -0.858 108 HE2 LYS 15 HE2 LYS 15 1.028 10.311 0.257 109 HE3 LYS 15 HE3 LYS 15 0.219 8.748 0.318 110 HZ1 LYS 15 HZ1 LYS 15 0.941 8.490 2.591 111 HZ2 LYS 15 HZ2 LYS 15 0.093 9.943 2.426 112 HZ3 LYS 15 HZ3 LYS 15 1.782 9.953 2.537 113 H GLY 16 H GLY 16 1.946 3.622 1.480 114 HA2 GLY 16 HA2 GLY 16 -0.680 4.310 2.464 115 HA3 GLY 16 HA3 GLY 16 -0.278 2.971 1.398 116 H THR 17 H THR 17 -2.076 2.732 3.473 117 HA THR 17 HA THR 17 -0.651 1.192 5.512 118 HB THR 17 HB THR 17 -2.981 1.096 6.571 119 HG1 THR 17 HG1 THR 17 -4.512 1.907 5.346 120 HG21 THR 17 HG21 THR 17 -2.754 3.339 7.537 121 HG22 THR 17 HG22 THR 17 -1.629 3.776 6.252 122 HG23 THR 17 HG23 THR 17 -1.194 2.528 7.419 123 H CYS 18 H CYS 18 -0.910 -0.972 5.720 124 HA CYS 18 HA CYS 18 -2.101 -2.369 3.486 125 HB2 CYS 18 HB2 CYS 18 0.097 -3.052 4.399 126 HB3 CYS 18 HB3 CYS 18 -0.670 -3.424 5.935 127 H GLU 19 H GLU 19 -4.284 -2.206 3.656 128 HA GLU 19 HA GLU 19 -5.492 -3.390 6.062 129 HB2 GLU 19 HB2 GLU 19 -6.498 -1.063 4.432 130 HB3 GLU 19 HB3 GLU 19 -7.430 -1.865 5.684 131 HG2 GLU 19 HG2 GLU 19 -5.711 -1.230 7.330 132 HG3 GLU 19 HG3 GLU 19 -4.844 -0.375 6.059 133 H ASN 20 H ASN 20 -6.404 -5.227 5.602 134 HA ASN 20 HA ASN 20 -7.741 -6.797 4.668 135 HB2 ASN 20 HB2 ASN 20 -9.351 -4.875 4.801 136 HB3 ASN 20 HB3 ASN 20 -8.954 -4.498 3.133 137 HD21 ASN 20 HD21 ASN 20 -9.224 -7.758 4.360 138 HD22 ASN 20 HD22 ASN 20 -10.662 -8.162 3.490 139 H GLY 21 H GLY 21 -5.221 -6.360 3.476 140 HA2 GLY 21 HA2 GLY 21 -4.091 -7.349 1.721 141 HA3 GLY 21 HA3 GLY 21 -5.643 -7.776 1.014 142 H LYS 22 H LYS 22 -5.732 -4.538 1.688 143 HA LYS 22 HA LYS 22 -4.858 -3.875 -1.043 144 HB2 LYS 22 HB2 LYS 22 -7.307 -3.888 -0.859 145 HB3 LYS 22 HB3 LYS 22 -7.215 -2.783 0.501 146 HG2 LYS 22 HG2 LYS 22 -7.866 -1.596 -1.496 147 HG3 LYS 22 HG3 LYS 22 -6.274 -1.058 -0.965 148 HD2 LYS 22 HD2 LYS 22 -6.259 -1.309 -3.358 149 HD3 LYS 22 HD3 LYS 22 -5.251 -2.570 -2.647 150 HE2 LYS 22 HE2 LYS 22 -6.622 -3.481 -4.440 151 HE3 LYS 22 HE3 LYS 22 -7.103 -4.170 -2.891 152 HZ1 LYS 22 HZ1 LYS 22 -8.993 -3.529 -4.299 153 HZ2 LYS 22 HZ2 LYS 22 -8.491 -1.915 -4.230 154 HZ3 LYS 22 HZ3 LYS 22 -8.982 -2.710 -2.821 155 H CYS 23 H CYS 23 -3.625 -2.112 -1.298 156 HA CYS 23 HA CYS 23 -2.573 -0.854 1.074 157 HB2 CYS 23 HB2 CYS 23 -1.196 -1.508 -0.953 158 HB3 CYS 23 HB3 CYS 23 -1.944 -0.148 -1.788 159 H VAL 24 H VAL 24 -3.474 0.837 1.973 160 HA VAL 24 HA VAL 24 -5.196 2.581 0.356 161 HB VAL 24 HB VAL 24 -4.958 2.438 3.365 162 HG11 VAL 24 HG11 VAL 24 -5.795 4.577 2.562 163 HG12 VAL 24 HG12 VAL 24 -7.080 3.669 3.353 164 HG13 VAL 24 HG13 VAL 24 -7.018 3.755 1.595 165 HG21 VAL 24 HG21 VAL 24 -5.792 0.326 2.466 166 HG22 VAL 24 HG22 VAL 24 -7.038 1.194 1.570 167 HG23 VAL 24 HG23 VAL 24 -7.057 1.194 3.334 168 H CYS 25 H CYS 25 -3.857 4.051 -0.564 169 HA CYS 25 HA CYS 25 -1.972 5.441 1.206 170 HB2 CYS 25 HB2 CYS 25 -0.796 6.099 -0.909 171 HB3 CYS 25 HB3 CYS 25 -0.781 4.373 -0.568 172 H GLY 26 H GLY 26 -4.305 6.381 1.664 173 HA2 GLY 26 HA2 GLY 26 -4.882 8.587 -0.175 174 HA3 GLY 26 HA3 GLY 26 -5.940 8.015 1.104 175 H SER 27 H SER 27 -3.873 7.956 3.125 176 HA SER 27 HA SER 27 -3.731 10.840 3.643 177 HB2 SER 27 HB2 SER 27 -3.338 8.547 5.585 178 HB3 SER 27 HB3 SER 27 -3.526 10.255 5.985 179 HG SER 27 HG SER 27 -5.618 9.712 4.565 Start of MODEL 5 1 H1 LEU 1 H1 LEU 1 3.210 0.992 6.172 2 H2 LEU 1 H2 LEU 1 2.431 1.720 4.860 3 H3 LEU 1 H3 LEU 1 3.922 2.319 5.400 4 HA LEU 1 HA LEU 1 4.219 1.057 3.392 5 HB2 LEU 1 HB2 LEU 1 5.971 1.048 5.135 6 HB3 LEU 1 HB3 LEU 1 5.241 -0.373 5.849 7 HG LEU 1 HG LEU 1 5.724 -1.617 3.735 8 HD11 LEU 1 HD11 LEU 1 5.863 0.216 2.176 9 HD12 LEU 1 HD12 LEU 1 7.407 -0.634 2.212 10 HD13 LEU 1 HD13 LEU 1 7.229 0.905 3.052 11 HD21 LEU 1 HD21 LEU 1 8.116 -1.860 4.175 12 HD22 LEU 1 HD22 LEU 1 7.186 -1.801 5.671 13 HD23 LEU 1 HD23 LEU 1 8.091 -0.384 5.139 14 H CYS 2 H CYS 2 3.471 -0.518 2.105 15 HA CYS 2 HA CYS 2 1.688 -2.509 3.318 16 HB2 CYS 2 HB2 CYS 2 1.862 -1.572 0.451 17 HB3 CYS 2 HB3 CYS 2 0.673 -2.694 1.099 18 H LEU 3 H LEU 3 2.716 -4.354 3.696 19 HA LEU 3 HA LEU 3 4.604 -5.361 1.694 20 HB2 LEU 3 HB2 LEU 3 4.121 -6.219 4.544 21 HB3 LEU 3 HB3 LEU 3 5.280 -6.967 3.463 22 HG LEU 3 HG LEU 3 5.384 -4.100 4.409 23 HD11 LEU 3 HD11 LEU 3 7.308 -4.823 5.731 24 HD12 LEU 3 HD12 LEU 3 7.038 -6.488 5.215 25 HD13 LEU 3 HD13 LEU 3 5.839 -5.668 6.217 26 HD21 LEU 3 HD21 LEU 3 6.386 -4.312 2.227 27 HD22 LEU 3 HD22 LEU 3 7.295 -5.731 2.742 28 HD23 LEU 3 HD23 LEU 3 7.662 -4.151 3.433 29 H SER 4 H SER 4 1.758 -6.326 3.586 30 HA SER 4 HA SER 4 1.492 -8.707 1.906 31 HB2 SER 4 HB2 SER 4 0.053 -7.937 4.450 32 HB3 SER 4 HB3 SER 4 -0.145 -9.462 3.588 33 HG SER 4 HG SER 4 1.368 -9.496 5.388 34 H CYS 5 H CYS 5 0.678 -5.737 1.390 35 HA CYS 5 HA CYS 5 -2.014 -6.375 0.407 36 HB2 CYS 5 HB2 CYS 5 -1.077 -3.798 1.667 37 HB3 CYS 5 HB3 CYS 5 -2.577 -3.948 0.757 38 H ARG 6 H ARG 6 -2.557 -5.601 -1.600 39 HA ARG 6 HA ARG 6 -0.293 -4.607 -3.183 40 HB2 ARG 6 HB2 ARG 6 -2.884 -5.885 -4.072 41 HB3 ARG 6 HB3 ARG 6 -1.616 -5.320 -5.150 42 HG2 ARG 6 HG2 ARG 6 -0.066 -6.937 -4.069 43 HG3 ARG 6 HG3 ARG 6 -1.443 -7.570 -3.164 44 HD2 ARG 6 HD2 ARG 6 -1.012 -8.934 -5.133 45 HD3 ARG 6 HD3 ARG 6 -2.569 -8.120 -5.273 46 HE ARG 6 HE ARG 6 -0.669 -6.495 -6.507 47 HH11 ARG 6 HH11 ARG 6 -2.069 -9.673 -6.965 48 HH12 ARG 6 HH12 ARG 6 -1.867 -9.652 -8.685 49 HH21 ARG 6 HH21 ARG 6 -0.395 -6.464 -8.760 50 HH22 ARG 6 HH22 ARG 6 -0.903 -7.825 -9.712 51 H GLY 7 H GLY 7 -0.643 -2.918 -4.712 52 HA2 GLY 7 HA2 GLY 7 -3.082 -1.361 -4.486 53 HA3 GLY 7 HA3 GLY 7 -1.625 -0.589 -3.877 54 H GLY 8 H GLY 8 -1.639 1.025 -5.410 55 HA2 GLY 8 HA2 GLY 8 -1.490 0.266 -8.218 56 HA3 GLY 8 HA3 GLY 8 -1.623 1.899 -7.589 57 H ASP 9 H ASP 9 0.146 3.091 -7.404 58 HA ASP 9 HA ASP 9 2.542 2.125 -8.619 59 HB2 ASP 9 HB2 ASP 9 1.760 4.431 -8.959 60 HB3 ASP 9 HB3 ASP 9 1.995 4.764 -7.249 61 H TYR 10 H TYR 10 4.676 2.228 -7.670 62 HA TYR 10 HA TYR 10 5.078 0.879 -5.323 63 HB2 TYR 10 HB2 TYR 10 6.839 1.221 -6.944 64 HB3 TYR 10 HB3 TYR 10 6.814 2.955 -6.656 65 HD1 TYR 10 HD1 TYR 10 8.061 3.921 -4.911 66 HD2 TYR 10 HD2 TYR 10 7.686 -0.306 -5.148 67 HE1 TYR 10 HE1 TYR 10 9.817 3.679 -3.214 68 HE2 TYR 10 HE2 TYR 10 9.440 -0.563 -3.443 69 HH TYR 10 HH TYR 10 11.319 0.691 -2.534 70 H ASP 11 H ASP 11 5.026 4.385 -5.817 71 HA ASP 11 HA ASP 11 5.687 5.212 -3.244 72 HB2 ASP 11 HB2 ASP 11 5.638 6.780 -5.067 73 HB3 ASP 11 HB3 ASP 11 3.921 6.498 -5.326 74 H CYS 12 H CYS 12 2.635 4.088 -4.522 75 HA CYS 12 HA CYS 12 0.967 5.026 -2.450 76 HB2 CYS 12 HB2 CYS 12 0.100 4.252 -4.624 77 HB3 CYS 12 HB3 CYS 12 0.615 2.616 -4.243 78 H ARG 13 H ARG 13 2.912 2.110 -2.840 79 HA ARG 13 HA ARG 13 1.707 0.993 -0.431 80 HB2 ARG 13 HB2 ARG 13 3.056 -1.049 -1.004 81 HB3 ARG 13 HB3 ARG 13 1.820 -0.600 -2.164 82 HG2 ARG 13 HG2 ARG 13 3.505 0.360 -3.614 83 HG3 ARG 13 HG3 ARG 13 4.760 -0.027 -2.435 84 HD2 ARG 13 HD2 ARG 13 3.019 -1.968 -3.949 85 HD3 ARG 13 HD3 ARG 13 4.754 -1.720 -4.149 86 HE ARG 13 HE ARG 13 4.712 -2.431 -1.624 87 HH11 ARG 13 HH11 ARG 13 2.852 -3.809 -4.263 88 HH12 ARG 13 HH12 ARG 13 2.807 -5.391 -3.560 89 HH21 ARG 13 HH21 ARG 13 4.616 -4.497 -0.692 90 HH22 ARG 13 HH22 ARG 13 3.810 -5.785 -1.527 91 H VAL 14 H VAL 14 4.058 3.114 -0.976 92 HA VAL 14 HA VAL 14 5.917 2.106 1.008 93 HB VAL 14 HB VAL 14 5.790 4.782 -0.397 94 HG11 VAL 14 HG11 VAL 14 7.936 3.660 1.406 95 HG12 VAL 14 HG12 VAL 14 6.851 4.994 1.797 96 HG13 VAL 14 HG13 VAL 14 8.035 5.172 0.502 97 HG21 VAL 14 HG21 VAL 14 7.609 2.413 -0.787 98 HG22 VAL 14 HG22 VAL 14 7.749 3.963 -1.615 99 HG23 VAL 14 HG23 VAL 14 6.337 2.942 -1.886 100 H LYS 15 H LYS 15 3.778 4.940 0.685 101 HA LYS 15 HA LYS 15 3.887 5.237 3.595 102 HB2 LYS 15 HB2 LYS 15 3.055 7.498 3.261 103 HB3 LYS 15 HB3 LYS 15 4.490 7.212 2.293 104 HG2 LYS 15 HG2 LYS 15 3.249 7.105 0.294 105 HG3 LYS 15 HG3 LYS 15 1.719 6.988 1.167 106 HD2 LYS 15 HD2 LYS 15 2.025 9.257 2.024 107 HD3 LYS 15 HD3 LYS 15 3.570 9.371 1.184 108 HE2 LYS 15 HE2 LYS 15 0.986 8.845 -0.262 109 HE3 LYS 15 HE3 LYS 15 1.566 10.476 0.068 110 HZ1 LYS 15 HZ1 LYS 15 2.982 8.396 -1.515 111 HZ2 LYS 15 HZ2 LYS 15 3.605 9.920 -1.139 112 HZ3 LYS 15 HZ3 LYS 15 2.236 9.789 -2.117 113 H GLY 16 H GLY 16 2.066 3.562 1.598 114 HA2 GLY 16 HA2 GLY 16 -0.554 4.377 2.541 115 HA3 GLY 16 HA3 GLY 16 -0.200 3.055 1.435 116 H THR 17 H THR 17 -2.027 2.646 3.348 117 HA THR 17 HA THR 17 -0.667 1.125 5.460 118 HB THR 17 HB THR 17 -3.013 1.055 6.466 119 HG1 THR 17 HG1 THR 17 -4.217 1.689 4.674 120 HG21 THR 17 HG21 THR 17 -1.242 2.501 7.341 121 HG22 THR 17 HG22 THR 17 -2.810 3.304 7.421 122 HG23 THR 17 HG23 THR 17 -1.661 3.738 6.154 123 H CYS 18 H CYS 18 -1.078 -1.036 5.752 124 HA CYS 18 HA CYS 18 -2.208 -2.430 3.467 125 HB2 CYS 18 HB2 CYS 18 -0.038 -3.127 4.455 126 HB3 CYS 18 HB3 CYS 18 -0.867 -3.512 5.955 127 H GLU 19 H GLU 19 -4.394 -2.186 3.600 128 HA GLU 19 HA GLU 19 -5.693 -3.258 6.018 129 HB2 GLU 19 HB2 GLU 19 -6.568 -1.042 4.171 130 HB3 GLU 19 HB3 GLU 19 -7.641 -1.794 5.339 131 HG2 GLU 19 HG2 GLU 19 -5.087 -0.343 5.990 132 HG3 GLU 19 HG3 GLU 19 -6.716 0.302 6.174 133 H ASN 20 H ASN 20 -6.667 -5.090 5.692 134 HA ASN 20 HA ASN 20 -7.579 -6.905 4.710 135 HB2 ASN 20 HB2 ASN 20 -9.705 -6.482 3.512 136 HB3 ASN 20 HB3 ASN 20 -9.574 -5.612 5.028 137 HD21 ASN 20 HD21 ASN 20 -9.734 -5.346 1.576 138 HD22 ASN 20 HD22 ASN 20 -9.985 -3.638 1.519 139 H GLY 21 H GLY 21 -5.257 -6.168 3.349 140 HA2 GLY 21 HA2 GLY 21 -4.214 -7.260 1.561 141 HA3 GLY 21 HA3 GLY 21 -5.798 -7.606 0.883 142 H LYS 22 H LYS 22 -6.026 -4.493 1.571 143 HA LYS 22 HA LYS 22 -5.183 -3.693 -1.126 144 HB2 LYS 22 HB2 LYS 22 -7.610 -3.576 -0.699 145 HB3 LYS 22 HB3 LYS 22 -7.313 -2.537 0.684 146 HG2 LYS 22 HG2 LYS 22 -8.056 -1.195 -1.150 147 HG3 LYS 22 HG3 LYS 22 -6.356 -0.841 -0.843 148 HD2 LYS 22 HD2 LYS 22 -5.690 -2.235 -2.704 149 HD3 LYS 22 HD3 LYS 22 -7.366 -2.723 -2.974 150 HE2 LYS 22 HE2 LYS 22 -7.943 -0.365 -3.440 151 HE3 LYS 22 HE3 LYS 22 -6.245 0.064 -3.243 152 HZ1 LYS 22 HZ1 LYS 22 -7.325 -1.799 -5.287 153 HZ2 LYS 22 HZ2 LYS 22 -5.700 -1.365 -5.106 154 HZ3 LYS 22 HZ3 LYS 22 -6.836 -0.205 -5.567 155 H CYS 23 H CYS 23 -3.602 -2.244 -1.287 156 HA CYS 23 HA CYS 23 -2.578 -0.980 1.094 157 HB2 CYS 23 HB2 CYS 23 -1.088 -1.820 -0.725 158 HB3 CYS 23 HB3 CYS 23 -1.716 -0.547 -1.767 159 H VAL 24 H VAL 24 -3.495 0.736 1.883 160 HA VAL 24 HA VAL 24 -5.020 2.506 0.113 161 HB VAL 24 HB VAL 24 -5.070 2.332 3.129 162 HG11 VAL 24 HG11 VAL 24 -5.761 4.508 2.275 163 HG12 VAL 24 HG12 VAL 24 -7.137 3.633 2.945 164 HG13 VAL 24 HG13 VAL 24 -6.920 3.729 1.198 165 HG21 VAL 24 HG21 VAL 24 -7.201 1.153 2.858 166 HG22 VAL 24 HG22 VAL 24 -5.874 0.259 2.118 167 HG23 VAL 24 HG23 VAL 24 -6.990 1.175 1.107 168 H CYS 25 H CYS 25 -3.583 3.949 -0.681 169 HA CYS 25 HA CYS 25 -1.820 5.349 1.182 170 HB2 CYS 25 HB2 CYS 25 -0.854 6.323 -0.952 171 HB3 CYS 25 HB3 CYS 25 -0.623 4.596 -0.712 172 H GLY 26 H GLY 26 -4.406 5.901 1.590 173 HA2 GLY 26 HA2 GLY 26 -4.527 8.699 1.398 174 HA3 GLY 26 HA3 GLY 26 -5.562 7.997 0.160 175 H SER 27 H SER 27 -7.350 9.003 1.307 176 HA SER 27 HA SER 27 -8.285 7.262 3.469 177 HB2 SER 27 HB2 SER 27 -7.392 9.394 4.444 178 HB3 SER 27 HB3 SER 27 -8.591 10.277 3.501 179 HG SER 27 HG SER 27 -10.119 9.659 4.831 Start of MODEL 6 1 H1 LEU 1 H1 LEU 1 5.189 -0.271 6.346 2 H2 LEU 1 H2 LEU 1 4.255 0.876 5.531 3 H3 LEU 1 H3 LEU 1 5.898 1.163 5.798 4 HA LEU 1 HA LEU 1 5.469 0.529 3.514 5 HB2 LEU 1 HB2 LEU 1 7.600 -0.038 4.706 6 HB3 LEU 1 HB3 LEU 1 6.927 -1.616 5.060 7 HG LEU 1 HG LEU 1 6.787 -2.059 2.614 8 HD11 LEU 1 HD11 LEU 1 6.677 0.201 1.777 9 HD12 LEU 1 HD12 LEU 1 8.101 -0.599 1.116 10 HD13 LEU 1 HD13 LEU 1 8.273 0.558 2.434 11 HD21 LEU 1 HD21 LEU 1 9.524 -1.333 3.647 12 HD22 LEU 1 HD22 LEU 1 9.170 -2.437 2.317 13 HD23 LEU 1 HD23 LEU 1 8.671 -2.845 3.959 14 H CYS 2 H CYS 2 3.819 -0.293 2.415 15 HA CYS 2 HA CYS 2 2.228 -2.430 3.539 16 HB2 CYS 2 HB2 CYS 2 1.143 -0.469 2.534 17 HB3 CYS 2 HB3 CYS 2 1.899 -0.838 0.988 18 H LEU 3 H LEU 3 3.327 -4.317 3.368 19 HA LEU 3 HA LEU 3 4.143 -5.163 0.672 20 HB2 LEU 3 HB2 LEU 3 5.067 -6.124 3.373 21 HB3 LEU 3 HB3 LEU 3 5.549 -6.847 1.852 22 HG LEU 3 HG LEU 3 6.144 -4.020 2.720 23 HD11 LEU 3 HD11 LEU 3 8.466 -4.792 2.832 24 HD12 LEU 3 HD12 LEU 3 7.932 -6.432 2.471 25 HD13 LEU 3 HD13 LEU 3 7.433 -5.652 3.971 26 HD21 LEU 3 HD21 LEU 3 6.919 -5.542 0.235 27 HD22 LEU 3 HD22 LEU 3 7.615 -3.999 0.722 28 HD23 LEU 3 HD23 LEU 3 5.901 -4.105 0.325 29 H SER 4 H SER 4 2.344 -6.153 3.544 30 HA SER 4 HA SER 4 1.687 -8.740 2.518 31 HB2 SER 4 HB2 SER 4 1.771 -8.302 4.931 32 HB3 SER 4 HB3 SER 4 0.438 -7.161 4.778 33 HG SER 4 HG SER 4 -0.611 -9.182 3.752 34 H CYS 5 H CYS 5 0.658 -5.722 1.660 35 HA CYS 5 HA CYS 5 -1.915 -6.755 0.693 36 HB2 CYS 5 HB2 CYS 5 -1.191 -3.982 1.615 37 HB3 CYS 5 HB3 CYS 5 -2.630 -4.324 0.665 38 H ARG 6 H ARG 6 -2.661 -5.702 -1.317 39 HA ARG 6 HA ARG 6 -0.397 -4.966 -3.053 40 HB2 ARG 6 HB2 ARG 6 -1.451 -6.131 -4.881 41 HB3 ARG 6 HB3 ARG 6 -1.320 -7.236 -3.524 42 HG2 ARG 6 HG2 ARG 6 -3.612 -7.124 -3.061 43 HG3 ARG 6 HG3 ARG 6 -3.830 -5.690 -4.063 44 HD2 ARG 6 HD2 ARG 6 -4.724 -7.660 -5.174 45 HD3 ARG 6 HD3 ARG 6 -3.347 -7.013 -6.062 46 HE ARG 6 HE ARG 6 -2.545 -9.061 -4.252 47 HH11 ARG 6 HH11 ARG 6 -4.089 -8.532 -7.350 48 HH12 ARG 6 HH12 ARG 6 -3.615 -10.071 -7.993 49 HH21 ARG 6 HH21 ARG 6 -1.923 -11.097 -5.096 50 HH22 ARG 6 HH22 ARG 6 -2.384 -11.535 -6.710 51 H GLY 7 H GLY 7 -1.184 -3.757 -5.047 52 HA2 GLY 7 HA2 GLY 7 -3.013 -2.542 -6.071 53 HA3 GLY 7 HA3 GLY 7 -3.611 -2.198 -4.458 54 H GLY 8 H GLY 8 -2.641 -0.604 -6.891 55 HA2 GLY 8 HA2 GLY 8 -2.066 1.662 -6.909 56 HA3 GLY 8 HA3 GLY 8 -1.467 1.498 -5.268 57 H ASP 9 H ASP 9 0.102 2.943 -6.696 58 HA ASP 9 HA ASP 9 2.117 1.344 -8.034 59 HB2 ASP 9 HB2 ASP 9 3.164 3.392 -8.625 60 HB3 ASP 9 HB3 ASP 9 1.437 3.691 -8.776 61 H TYR 10 H TYR 10 4.479 2.143 -7.348 62 HA TYR 10 HA TYR 10 5.061 0.865 -4.969 63 HB2 TYR 10 HB2 TYR 10 6.753 1.254 -6.672 64 HB3 TYR 10 HB3 TYR 10 6.663 2.990 -6.394 65 HD1 TYR 10 HD1 TYR 10 7.863 4.011 -4.622 66 HD2 TYR 10 HD2 TYR 10 7.684 -0.224 -4.901 67 HE1 TYR 10 HE1 TYR 10 9.618 3.834 -2.913 68 HE2 TYR 10 HE2 TYR 10 9.437 -0.418 -3.191 69 HH TYR 10 HH TYR 10 10.396 2.136 -1.233 70 H ASP 11 H ASP 11 4.818 4.363 -5.571 71 HA ASP 11 HA ASP 11 5.550 5.129 -2.968 72 HB2 ASP 11 HB2 ASP 11 5.585 6.700 -4.859 73 HB3 ASP 11 HB3 ASP 11 3.827 6.639 -4.933 74 H CYS 12 H CYS 12 2.478 4.299 -4.423 75 HA CYS 12 HA CYS 12 0.825 5.129 -2.294 76 HB2 CYS 12 HB2 CYS 12 -0.006 4.619 -4.566 77 HB3 CYS 12 HB3 CYS 12 0.353 2.919 -4.296 78 H ARG 13 H ARG 13 2.850 2.361 -2.762 79 HA ARG 13 HA ARG 13 1.536 0.878 -0.627 80 HB2 ARG 13 HB2 ARG 13 3.990 0.099 -2.208 81 HB3 ARG 13 HB3 ARG 13 2.981 -0.956 -1.228 82 HG2 ARG 13 HG2 ARG 13 1.110 -0.580 -2.763 83 HG3 ARG 13 HG3 ARG 13 2.141 0.455 -3.750 84 HD2 ARG 13 HD2 ARG 13 2.147 -1.634 -4.819 85 HD3 ARG 13 HD3 ARG 13 3.686 -1.538 -3.972 86 HE ARG 13 HE ARG 13 2.080 -2.827 -2.211 87 HH11 ARG 13 HH11 ARG 13 2.858 -3.308 -5.580 88 HH12 ARG 13 HH12 ARG 13 2.654 -5.027 -5.519 89 HH21 ARG 13 HH21 ARG 13 1.783 -5.119 -2.124 90 HH22 ARG 13 HH22 ARG 13 2.061 -6.061 -3.561 91 H VAL 14 H VAL 14 4.372 2.828 -1.180 92 HA VAL 14 HA VAL 14 5.609 2.002 1.294 93 HB VAL 14 HB VAL 14 6.886 2.703 -0.788 94 HG11 VAL 14 HG11 VAL 14 5.540 4.762 -1.180 95 HG12 VAL 14 HG12 VAL 14 7.284 5.006 -1.215 96 HG13 VAL 14 HG13 VAL 14 6.353 5.491 0.203 97 HG21 VAL 14 HG21 VAL 14 8.008 2.381 1.319 98 HG22 VAL 14 HG22 VAL 14 7.535 3.990 1.855 99 HG23 VAL 14 HG23 VAL 14 8.672 3.808 0.522 100 H LYS 15 H LYS 15 3.439 4.465 0.221 101 HA LYS 15 HA LYS 15 3.701 5.912 2.760 102 HB2 LYS 15 HB2 LYS 15 2.080 6.600 0.303 103 HB3 LYS 15 HB3 LYS 15 2.266 7.614 1.725 104 HG2 LYS 15 HG2 LYS 15 4.508 6.794 -0.103 105 HG3 LYS 15 HG3 LYS 15 3.636 8.322 -0.196 106 HD2 LYS 15 HD2 LYS 15 4.322 8.650 2.248 107 HD3 LYS 15 HD3 LYS 15 5.458 7.326 1.975 108 HE2 LYS 15 HE2 LYS 15 5.348 9.955 0.497 109 HE3 LYS 15 HE3 LYS 15 6.586 9.438 1.638 110 HZ1 LYS 15 HZ1 LYS 15 7.174 7.654 0.091 111 HZ2 LYS 15 HZ2 LYS 15 7.359 9.179 -0.608 112 HZ3 LYS 15 HZ3 LYS 15 6.026 8.222 -1.020 113 H GLY 16 H GLY 16 1.885 3.471 1.342 114 HA2 GLY 16 HA2 GLY 16 -0.636 4.310 2.564 115 HA3 GLY 16 HA3 GLY 16 -0.451 3.079 1.327 116 H THR 17 H THR 17 -2.001 2.754 3.566 117 HA THR 17 HA THR 17 -0.498 1.013 5.363 118 HB THR 17 HB THR 17 -2.945 0.924 6.400 119 HG1 THR 17 HG1 THR 17 -4.244 2.262 5.383 120 HG21 THR 17 HG21 THR 17 -2.328 2.801 7.840 121 HG22 THR 17 HG22 THR 17 -1.108 3.306 6.670 122 HG23 THR 17 HG23 THR 17 -0.933 1.771 7.520 123 H CYS 18 H CYS 18 -0.986 -1.129 5.645 124 HA CYS 18 HA CYS 18 -2.161 -2.452 3.361 125 HB2 CYS 18 HB2 CYS 18 -0.080 -3.294 4.332 126 HB3 CYS 18 HB3 CYS 18 -0.874 -3.520 5.880 127 H GLU 19 H GLU 19 -4.343 -2.138 3.422 128 HA GLU 19 HA GLU 19 -5.741 -3.134 5.813 129 HB2 GLU 19 HB2 GLU 19 -6.509 -0.871 3.975 130 HB3 GLU 19 HB3 GLU 19 -7.559 -1.528 5.219 131 HG2 GLU 19 HG2 GLU 19 -6.001 -0.852 6.940 132 HG3 GLU 19 HG3 GLU 19 -4.865 -0.284 5.721 133 H ASN 20 H ASN 20 -6.595 -5.006 5.387 134 HA ASN 20 HA ASN 20 -7.823 -6.662 4.455 135 HB2 ASN 20 HB2 ASN 20 -9.512 -4.786 4.584 136 HB3 ASN 20 HB3 ASN 20 -9.197 -4.488 2.882 137 HD21 ASN 20 HD21 ASN 20 -11.249 -4.974 2.230 138 HD22 ASN 20 HD22 ASN 20 -11.905 -6.573 2.269 139 H GLY 21 H GLY 21 -5.351 -6.108 3.215 140 HA2 GLY 21 HA2 GLY 21 -4.273 -7.186 1.460 141 HA3 GLY 21 HA3 GLY 21 -5.838 -7.502 0.733 142 H LYS 22 H LYS 22 -5.694 -4.256 1.502 143 HA LYS 22 HA LYS 22 -4.661 -3.619 -1.180 144 HB2 LYS 22 HB2 LYS 22 -7.148 -3.392 -0.974 145 HB3 LYS 22 HB3 LYS 22 -6.886 -2.174 0.263 146 HG2 LYS 22 HG2 LYS 22 -5.703 -0.775 -1.364 147 HG3 LYS 22 HG3 LYS 22 -5.995 -1.990 -2.611 148 HD2 LYS 22 HD2 LYS 22 -8.436 -1.701 -2.235 149 HD3 LYS 22 HD3 LYS 22 -8.066 -0.393 -1.111 150 HE2 LYS 22 HE2 LYS 22 -7.284 -0.457 -4.026 151 HE3 LYS 22 HE3 LYS 22 -8.655 0.430 -3.364 152 HZ1 LYS 22 HZ1 LYS 22 -7.130 1.753 -2.049 153 HZ2 LYS 22 HZ2 LYS 22 -6.727 1.852 -3.690 154 HZ3 LYS 22 HZ3 LYS 22 -5.808 0.887 -2.655 155 H CYS 23 H CYS 23 -3.121 -2.134 -1.287 156 HA CYS 23 HA CYS 23 -2.193 -0.795 1.081 157 HB2 CYS 23 HB2 CYS 23 -1.374 -0.508 -1.818 158 HB3 CYS 23 HB3 CYS 23 -0.556 0.261 -0.463 159 H VAL 24 H VAL 24 -3.506 0.715 1.856 160 HA VAL 24 HA VAL 24 -4.903 2.516 0.031 161 HB VAL 24 HB VAL 24 -5.137 2.292 3.036 162 HG11 VAL 24 HG11 VAL 24 -5.837 4.462 2.148 163 HG12 VAL 24 HG12 VAL 24 -7.217 3.543 2.750 164 HG13 VAL 24 HG13 VAL 24 -6.919 3.652 1.014 165 HG21 VAL 24 HG21 VAL 24 -5.817 0.211 1.957 166 HG22 VAL 24 HG22 VAL 24 -6.886 1.109 0.878 167 HG23 VAL 24 HG23 VAL 24 -7.217 1.064 2.611 168 H CYS 25 H CYS 25 -3.711 4.184 -0.600 169 HA CYS 25 HA CYS 25 -1.886 5.422 1.330 170 HB2 CYS 25 HB2 CYS 25 -0.804 6.425 -0.691 171 HB3 CYS 25 HB3 CYS 25 -0.740 4.666 -0.633 172 H GLY 26 H GLY 26 -3.940 6.360 2.211 173 HA2 GLY 26 HA2 GLY 26 -4.518 8.883 0.808 174 HA3 GLY 26 HA3 GLY 26 -5.819 7.903 1.463 175 H SER 27 H SER 27 -2.816 8.102 3.172 176 HA SER 27 HA SER 27 -4.044 9.980 5.080 177 HB2 SER 27 HB2 SER 27 -2.238 7.635 5.726 178 HB3 SER 27 HB3 SER 27 -2.914 8.771 6.893 179 HG SER 27 HG SER 27 -4.525 7.233 5.146 Start of MODEL 7 1 H1 LEU 1 H1 LEU 1 3.118 0.820 6.432 2 H2 LEU 1 H2 LEU 1 2.556 1.864 5.226 3 H3 LEU 1 H3 LEU 1 4.064 2.133 5.941 4 HA LEU 1 HA LEU 1 4.271 1.175 3.736 5 HB2 LEU 1 HB2 LEU 1 5.102 -0.567 6.056 6 HB3 LEU 1 HB3 LEU 1 5.657 -0.825 4.414 7 HG LEU 1 HG LEU 1 6.164 1.679 6.030 8 HD11 LEU 1 HD11 LEU 1 8.466 0.876 6.168 9 HD12 LEU 1 HD12 LEU 1 7.996 -0.620 5.359 10 HD13 LEU 1 HD13 LEU 1 7.348 -0.237 6.953 11 HD21 LEU 1 HD21 LEU 1 7.787 2.165 4.227 12 HD22 LEU 1 HD22 LEU 1 6.117 2.149 3.664 13 HD23 LEU 1 HD23 LEU 1 7.171 0.775 3.333 14 H CYS 2 H CYS 2 3.675 -0.284 2.251 15 HA CYS 2 HA CYS 2 1.936 -2.506 3.061 16 HB2 CYS 2 HB2 CYS 2 0.569 -0.600 2.212 17 HB3 CYS 2 HB3 CYS 2 1.460 -0.674 0.702 18 H LEU 3 H LEU 3 4.380 -3.143 2.801 19 HA LEU 3 HA LEU 3 5.209 -3.482 0.042 20 HB2 LEU 3 HB2 LEU 3 6.573 -4.292 2.606 21 HB3 LEU 3 HB3 LEU 3 7.288 -4.353 1.008 22 HG LEU 3 HG LEU 3 6.458 -1.856 2.490 23 HD11 LEU 3 HD11 LEU 3 9.177 -2.941 1.783 24 HD12 LEU 3 HD12 LEU 3 8.470 -2.858 3.397 25 HD13 LEU 3 HD13 LEU 3 8.856 -1.374 2.528 26 HD21 LEU 3 HD21 LEU 3 7.711 -2.187 -0.233 27 HD22 LEU 3 HD22 LEU 3 7.549 -0.657 0.627 28 HD23 LEU 3 HD23 LEU 3 6.109 -1.540 0.120 29 H SER 4 H SER 4 3.856 -5.360 2.633 30 HA SER 4 HA SER 4 4.417 -7.881 1.314 31 HB2 SER 4 HB2 SER 4 3.120 -8.820 3.257 32 HB3 SER 4 HB3 SER 4 4.542 -7.881 3.711 33 HG SER 4 HG SER 4 1.817 -7.099 3.803 34 H CYS 5 H CYS 5 2.356 -5.552 0.580 35 HA CYS 5 HA CYS 5 0.234 -7.402 -0.237 36 HB2 CYS 5 HB2 CYS 5 -0.233 -4.629 0.882 37 HB3 CYS 5 HB3 CYS 5 -1.474 -5.756 0.346 38 H ARG 6 H ARG 6 -1.214 -6.278 -1.916 39 HA ARG 6 HA ARG 6 0.328 -4.388 -3.543 40 HB2 ARG 6 HB2 ARG 6 -0.263 -5.564 -5.598 41 HB3 ARG 6 HB3 ARG 6 0.644 -6.618 -4.530 42 HG2 ARG 6 HG2 ARG 6 -2.342 -6.696 -4.548 43 HG3 ARG 6 HG3 ARG 6 -1.414 -7.537 -5.790 44 HD2 ARG 6 HD2 ARG 6 -0.274 -8.842 -4.113 45 HD3 ARG 6 HD3 ARG 6 -1.050 -7.924 -2.823 46 HE ARG 6 HE ARG 6 -3.012 -9.089 -4.487 47 HH11 ARG 6 HH11 ARG 6 -0.638 -9.953 -2.071 48 HH12 ARG 6 HH12 ARG 6 -1.531 -11.323 -1.497 49 HH21 ARG 6 HH21 ARG 6 -4.189 -10.898 -3.753 50 HH22 ARG 6 HH22 ARG 6 -3.562 -11.862 -2.452 51 H GLY 7 H GLY 7 -1.187 -3.573 -5.387 52 HA2 GLY 7 HA2 GLY 7 -3.496 -3.075 -5.967 53 HA3 GLY 7 HA3 GLY 7 -3.871 -3.133 -4.250 54 H GLY 8 H GLY 8 -1.430 -1.511 -6.231 55 HA2 GLY 8 HA2 GLY 8 -2.308 1.077 -6.124 56 HA3 GLY 8 HA3 GLY 8 -1.459 0.837 -4.602 57 H ASP 9 H ASP 9 -0.360 2.702 -6.111 58 HA ASP 9 HA ASP 9 1.608 1.536 -7.879 59 HB2 ASP 9 HB2 ASP 9 0.479 3.899 -8.051 60 HB3 ASP 9 HB3 ASP 9 1.763 4.375 -6.946 61 H TYR 10 H TYR 10 3.942 2.625 -7.482 62 HA TYR 10 HA TYR 10 5.068 1.105 -5.428 63 HB2 TYR 10 HB2 TYR 10 6.315 1.845 -7.406 64 HB3 TYR 10 HB3 TYR 10 6.205 3.513 -6.861 65 HD1 TYR 10 HD1 TYR 10 7.620 4.339 -5.094 66 HD2 TYR 10 HD2 TYR 10 7.792 0.265 -6.289 67 HE1 TYR 10 HE1 TYR 10 9.722 4.074 -3.854 68 HE2 TYR 10 HE2 TYR 10 9.897 -0.017 -5.053 69 HH TYR 10 HH TYR 10 11.713 1.290 -4.183 70 H ASP 11 H ASP 11 4.790 4.644 -5.627 71 HA ASP 11 HA ASP 11 5.659 5.161 -3.018 72 HB2 ASP 11 HB2 ASP 11 4.651 7.390 -3.307 73 HB3 ASP 11 HB3 ASP 11 5.588 6.913 -4.716 74 H CYS 12 H CYS 12 2.577 4.212 -4.274 75 HA CYS 12 HA CYS 12 0.973 5.015 -2.102 76 HB2 CYS 12 HB2 CYS 12 0.117 4.386 -4.352 77 HB3 CYS 12 HB3 CYS 12 0.511 2.709 -3.999 78 H ARG 13 H ARG 13 3.096 2.304 -2.613 79 HA ARG 13 HA ARG 13 2.009 0.885 -0.324 80 HB2 ARG 13 HB2 ARG 13 4.498 0.204 -1.885 81 HB3 ARG 13 HB3 ARG 13 3.583 -0.855 -0.824 82 HG2 ARG 13 HG2 ARG 13 1.642 -0.448 -2.473 83 HG3 ARG 13 HG3 ARG 13 2.910 0.105 -3.572 84 HD2 ARG 13 HD2 ARG 13 2.642 -2.608 -2.283 85 HD3 ARG 13 HD3 ARG 13 2.518 -2.220 -3.996 86 HE ARG 13 HE ARG 13 4.992 -1.446 -3.558 87 HH11 ARG 13 HH11 ARG 13 3.353 -4.276 -2.309 88 HH12 ARG 13 HH12 ARG 13 4.797 -5.234 -2.238 89 HH21 ARG 13 HH21 ARG 13 6.894 -2.704 -3.474 90 HH22 ARG 13 HH22 ARG 13 6.814 -4.342 -2.911 91 H VAL 14 H VAL 14 4.419 3.200 -1.008 92 HA VAL 14 HA VAL 14 6.035 2.605 1.304 93 HB VAL 14 HB VAL 14 6.059 5.015 -0.520 94 HG11 VAL 14 HG11 VAL 14 7.025 5.516 1.664 95 HG12 VAL 14 HG12 VAL 14 8.273 5.468 0.417 96 HG13 VAL 14 HG13 VAL 14 8.083 4.110 1.526 97 HG21 VAL 14 HG21 VAL 14 8.029 3.966 -1.533 98 HG22 VAL 14 HG22 VAL 14 6.594 2.954 -1.703 99 HG23 VAL 14 HG23 VAL 14 7.811 2.562 -0.490 100 H LYS 15 H LYS 15 3.825 5.201 0.319 101 HA LYS 15 HA LYS 15 3.604 6.006 3.132 102 HB2 LYS 15 HB2 LYS 15 2.521 8.081 2.213 103 HB3 LYS 15 HB3 LYS 15 4.199 7.857 1.742 104 HG2 LYS 15 HG2 LYS 15 3.543 7.111 -0.443 105 HG3 LYS 15 HG3 LYS 15 1.843 7.165 0.015 106 HD2 LYS 15 HD2 LYS 15 1.876 9.536 0.191 107 HD3 LYS 15 HD3 LYS 15 3.636 9.583 0.073 108 HE2 LYS 15 HE2 LYS 15 2.490 10.260 -2.021 109 HE3 LYS 15 HE3 LYS 15 3.555 8.874 -2.227 110 HZ1 LYS 15 HZ1 LYS 15 1.465 7.498 -1.888 111 HZ2 LYS 15 HZ2 LYS 15 1.627 8.303 -3.364 112 HZ3 LYS 15 HZ3 LYS 15 0.604 8.927 -2.164 113 H GLY 16 H GLY 16 2.366 3.648 2.166 114 HA2 GLY 16 HA2 GLY 16 -0.435 4.372 2.667 115 HA3 GLY 16 HA3 GLY 16 -0.021 3.231 1.394 116 H THR 17 H THR 17 -1.744 2.472 3.303 117 HA THR 17 HA THR 17 -0.170 0.633 4.980 118 HB THR 17 HB THR 17 -2.384 0.659 6.382 119 HG1 THR 17 HG1 THR 17 -3.614 1.991 5.054 120 HG21 THR 17 HG21 THR 17 -1.497 2.495 7.758 121 HG22 THR 17 HG22 THR 17 -0.430 2.961 6.432 122 HG23 THR 17 HG23 THR 17 -0.219 1.402 7.228 123 H CYS 18 H CYS 18 -0.797 -1.510 5.008 124 HA CYS 18 HA CYS 18 -2.451 -2.374 2.818 125 HB2 CYS 18 HB2 CYS 18 -0.440 -3.650 3.426 126 HB3 CYS 18 HB3 CYS 18 -1.125 -3.979 5.014 127 H GLU 19 H GLU 19 -4.529 -1.976 3.070 128 HA GLU 19 HA GLU 19 -5.836 -2.800 5.578 129 HB2 GLU 19 HB2 GLU 19 -6.618 -0.658 3.598 130 HB3 GLU 19 HB3 GLU 19 -7.615 -1.165 4.952 131 HG2 GLU 19 HG2 GLU 19 -4.866 0.042 5.173 132 HG3 GLU 19 HG3 GLU 19 -6.386 0.901 5.417 133 H ASN 20 H ASN 20 -7.086 -4.513 5.395 134 HA ASN 20 HA ASN 20 -8.397 -6.162 4.556 135 HB2 ASN 20 HB2 ASN 20 -9.253 -3.967 2.665 136 HB3 ASN 20 HB3 ASN 20 -10.079 -5.507 2.845 137 HD21 ASN 20 HD21 ASN 20 -9.649 -5.577 5.746 138 HD22 ASN 20 HD22 ASN 20 -10.760 -4.430 6.411 139 H GLY 21 H GLY 21 -5.700 -5.842 3.527 140 HA2 GLY 21 HA2 GLY 21 -4.418 -7.096 2.064 141 HA3 GLY 21 HA3 GLY 21 -5.903 -7.688 1.333 142 H LYS 22 H LYS 22 -5.568 -4.263 1.576 143 HA LYS 22 HA LYS 22 -4.483 -4.118 -1.151 144 HB2 LYS 22 HB2 LYS 22 -6.968 -3.844 -1.203 145 HB3 LYS 22 HB3 LYS 22 -6.799 -2.460 -0.133 146 HG2 LYS 22 HG2 LYS 22 -5.296 -1.443 -1.892 147 HG3 LYS 22 HG3 LYS 22 -5.843 -2.732 -2.966 148 HD2 LYS 22 HD2 LYS 22 -8.156 -1.996 -2.668 149 HD3 LYS 22 HD3 LYS 22 -7.610 -0.715 -1.582 150 HE2 LYS 22 HE2 LYS 22 -6.937 -1.013 -4.509 151 HE3 LYS 22 HE3 LYS 22 -7.996 0.200 -3.788 152 HZ1 LYS 22 HZ1 LYS 22 -6.033 1.006 -2.531 153 HZ2 LYS 22 HZ2 LYS 22 -5.888 1.192 -4.198 154 HZ3 LYS 22 HZ3 LYS 22 -5.056 -0.054 -3.417 155 H CYS 23 H CYS 23 -3.206 -2.355 -1.578 156 HA CYS 23 HA CYS 23 -2.145 -0.917 0.660 157 HB2 CYS 23 HB2 CYS 23 -1.630 -0.680 -2.306 158 HB3 CYS 23 HB3 CYS 23 -0.740 0.204 -1.070 159 H VAL 24 H VAL 24 -3.385 0.568 1.556 160 HA VAL 24 HA VAL 24 -4.830 2.455 -0.168 161 HB VAL 24 HB VAL 24 -5.163 1.888 2.784 162 HG11 VAL 24 HG11 VAL 24 -6.771 3.689 0.969 163 HG12 VAL 24 HG12 VAL 24 -5.670 4.219 2.242 164 HG13 VAL 24 HG13 VAL 24 -7.136 3.330 2.659 165 HG21 VAL 24 HG21 VAL 24 -5.972 0.060 1.398 166 HG22 VAL 24 HG22 VAL 24 -6.917 1.191 0.430 167 HG23 VAL 24 HG23 VAL 24 -7.328 0.925 2.123 168 H CYS 25 H CYS 25 -3.689 4.202 -0.591 169 HA CYS 25 HA CYS 25 -1.885 5.247 1.472 170 HB2 CYS 25 HB2 CYS 25 -0.822 6.442 -0.519 171 HB3 CYS 25 HB3 CYS 25 -0.598 4.699 -0.417 172 H GLY 26 H GLY 26 -3.513 6.378 2.553 173 HA2 GLY 26 HA2 GLY 26 -4.445 8.439 3.073 174 HA3 GLY 26 HA3 GLY 26 -4.045 8.997 1.454 175 H SER 27 H SER 27 -5.365 7.904 -0.314 176 HA SER 27 HA SER 27 -7.944 6.898 0.309 177 HB2 SER 27 HB2 SER 27 -8.221 9.330 0.924 178 HB3 SER 27 HB3 SER 27 -7.895 9.732 -0.762 179 HG SER 27 HG SER 27 -10.178 9.494 -0.078 Start of MODEL 8 1 H1 LEU 1 H1 LEU 1 2.732 1.561 4.825 2 H2 LEU 1 H2 LEU 1 4.328 1.983 5.185 3 H3 LEU 1 H3 LEU 1 3.637 0.606 5.883 4 HA LEU 1 HA LEU 1 4.176 0.994 3.002 5 HB2 LEU 1 HB2 LEU 1 6.230 0.662 4.268 6 HB3 LEU 1 HB3 LEU 1 5.536 -0.718 5.091 7 HG LEU 1 HG LEU 1 5.421 -1.899 2.878 8 HD11 LEU 1 HD11 LEU 1 7.097 0.432 1.957 9 HD12 LEU 1 HD12 LEU 1 5.465 0.042 1.411 10 HD13 LEU 1 HD13 LEU 1 6.800 -1.049 1.050 11 HD21 LEU 1 HD21 LEU 1 8.134 -1.002 3.838 12 HD22 LEU 1 HD22 LEU 1 7.827 -2.393 2.798 13 HD23 LEU 1 HD23 LEU 1 7.202 -2.369 4.446 14 H CYS 2 H CYS 2 3.019 -0.266 1.716 15 HA CYS 2 HA CYS 2 1.234 -2.241 2.847 16 HB2 CYS 2 HB2 CYS 2 1.668 -1.484 -0.046 17 HB3 CYS 2 HB3 CYS 2 0.302 -2.375 0.612 18 H LEU 3 H LEU 3 2.858 -3.689 3.608 19 HA LEU 3 HA LEU 3 4.558 -4.954 1.623 20 HB2 LEU 3 HB2 LEU 3 5.404 -4.228 3.864 21 HB3 LEU 3 HB3 LEU 3 4.395 -5.464 4.587 22 HG LEU 3 HG LEU 3 5.669 -7.202 3.408 23 HD11 LEU 3 HD11 LEU 3 7.293 -4.869 2.409 24 HD12 LEU 3 HD12 LEU 3 6.382 -6.031 1.443 25 HD13 LEU 3 HD13 LEU 3 7.814 -6.551 2.327 26 HD21 LEU 3 HD21 LEU 3 6.333 -6.552 5.656 27 HD22 LEU 3 HD22 LEU 3 7.369 -5.286 5.000 28 HD23 LEU 3 HD23 LEU 3 7.744 -6.980 4.690 29 H SER 4 H SER 4 1.832 -5.732 3.715 30 HA SER 4 HA SER 4 1.928 -8.528 2.898 31 HB2 SER 4 HB2 SER 4 0.048 -7.120 4.801 32 HB3 SER 4 HB3 SER 4 0.174 -8.864 4.570 33 HG SER 4 HG SER 4 2.600 -8.118 5.073 34 H CYS 5 H CYS 5 1.072 -6.143 1.155 35 HA CYS 5 HA CYS 5 -1.150 -7.448 -0.113 36 HB2 CYS 5 HB2 CYS 5 -2.585 -5.349 0.038 37 HB3 CYS 5 HB3 CYS 5 -2.455 -6.310 1.507 38 H ARG 6 H ARG 6 -1.872 -6.221 -2.054 39 HA ARG 6 HA ARG 6 0.340 -4.641 -3.193 40 HB2 ARG 6 HB2 ARG 6 -1.646 -6.464 -4.554 41 HB3 ARG 6 HB3 ARG 6 -0.514 -5.428 -5.408 42 HG2 ARG 6 HG2 ARG 6 1.354 -6.639 -4.417 43 HG3 ARG 6 HG3 ARG 6 0.221 -7.669 -3.539 44 HD2 ARG 6 HD2 ARG 6 -0.687 -8.489 -5.650 45 HD3 ARG 6 HD3 ARG 6 0.411 -7.435 -6.542 46 HE ARG 6 HE ARG 6 1.795 -9.196 -4.763 47 HH11 ARG 6 HH11 ARG 6 0.257 -8.985 -7.897 48 HH12 ARG 6 HH12 ARG 6 1.224 -10.240 -8.602 49 HH21 ARG 6 HH21 ARG 6 3.071 -10.862 -5.679 50 HH22 ARG 6 HH22 ARG 6 2.819 -11.314 -7.335 51 H GLY 7 H GLY 7 -0.703 -3.483 -5.287 52 HA2 GLY 7 HA2 GLY 7 -2.711 -2.312 -6.035 53 HA3 GLY 7 HA3 GLY 7 -3.100 -2.048 -4.342 54 H GLY 8 H GLY 8 -2.255 -0.417 -6.913 55 HA2 GLY 8 HA2 GLY 8 -1.594 1.815 -7.024 56 HA3 GLY 8 HA3 GLY 8 -1.072 1.711 -5.353 57 H ASP 9 H ASP 9 0.558 3.073 -6.881 58 HA ASP 9 HA ASP 9 2.615 1.357 -7.992 59 HB2 ASP 9 HB2 ASP 9 3.673 3.347 -8.743 60 HB3 ASP 9 HB3 ASP 9 1.950 3.617 -8.974 61 H TYR 10 H TYR 10 4.958 2.264 -7.313 62 HA TYR 10 HA TYR 10 5.492 1.254 -4.791 63 HB2 TYR 10 HB2 TYR 10 7.224 1.524 -6.491 64 HB3 TYR 10 HB3 TYR 10 7.088 3.273 -6.371 65 HD1 TYR 10 HD1 TYR 10 8.110 4.478 -4.562 66 HD2 TYR 10 HD2 TYR 10 8.247 0.232 -4.681 67 HE1 TYR 10 HE1 TYR 10 9.812 4.492 -2.790 68 HE2 TYR 10 HE2 TYR 10 9.951 0.230 -2.912 69 HH TYR 10 HH TYR 10 11.637 1.737 -1.969 70 H ASP 11 H ASP 11 5.135 4.636 -5.793 71 HA ASP 11 HA ASP 11 5.735 5.782 -3.297 72 HB2 ASP 11 HB2 ASP 11 5.800 7.070 -5.362 73 HB3 ASP 11 HB3 ASP 11 4.067 6.855 -5.574 74 H CYS 12 H CYS 12 2.801 4.429 -4.585 75 HA CYS 12 HA CYS 12 1.105 5.452 -2.515 76 HB2 CYS 12 HB2 CYS 12 0.064 4.865 -4.577 77 HB3 CYS 12 HB3 CYS 12 0.793 3.265 -4.569 78 H ARG 13 H ARG 13 2.934 2.494 -3.068 79 HA ARG 13 HA ARG 13 1.758 1.105 -0.843 80 HB2 ARG 13 HB2 ARG 13 4.244 0.391 -2.405 81 HB3 ARG 13 HB3 ARG 13 3.290 -0.686 -1.393 82 HG2 ARG 13 HG2 ARG 13 1.381 -0.370 -2.933 83 HG3 ARG 13 HG3 ARG 13 2.424 0.610 -3.966 84 HD2 ARG 13 HD2 ARG 13 3.960 -1.363 -4.123 85 HD3 ARG 13 HD3 ARG 13 2.726 -2.310 -3.293 86 HE ARG 13 HE ARG 13 1.707 -0.950 -5.596 87 HH11 ARG 13 HH11 ARG 13 3.397 -3.801 -4.501 88 HH12 ARG 13 HH12 ARG 13 3.007 -4.730 -5.911 89 HH21 ARG 13 HH21 ARG 13 1.171 -2.164 -7.450 90 HH22 ARG 13 HH22 ARG 13 1.725 -3.806 -7.589 91 H VAL 14 H VAL 14 4.593 3.059 -1.375 92 HA VAL 14 HA VAL 14 6.104 2.114 0.814 93 HB VAL 14 HB VAL 14 7.131 3.312 -1.071 94 HG11 VAL 14 HG11 VAL 14 5.386 4.994 -1.428 95 HG12 VAL 14 HG12 VAL 14 6.987 5.721 -1.277 96 HG13 VAL 14 HG13 VAL 14 5.858 5.789 0.076 97 HG21 VAL 14 HG21 VAL 14 7.540 4.635 1.604 98 HG22 VAL 14 HG22 VAL 14 8.650 4.745 0.237 99 HG23 VAL 14 HG23 VAL 14 8.355 3.190 1.012 100 H LYS 15 H LYS 15 3.559 4.471 0.554 101 HA LYS 15 HA LYS 15 3.850 4.973 3.431 102 HB2 LYS 15 HB2 LYS 15 3.231 7.297 3.128 103 HB3 LYS 15 HB3 LYS 15 4.660 6.921 2.177 104 HG2 LYS 15 HG2 LYS 15 3.377 6.844 0.159 105 HG3 LYS 15 HG3 LYS 15 1.873 7.016 1.060 106 HD2 LYS 15 HD2 LYS 15 4.076 9.062 0.808 107 HD3 LYS 15 HD3 LYS 15 2.474 9.138 0.075 108 HE2 LYS 15 HE2 LYS 15 3.130 9.239 3.018 109 HE3 LYS 15 HE3 LYS 15 2.522 10.558 2.023 110 HZ1 LYS 15 HZ1 LYS 15 0.746 9.611 3.308 111 HZ2 LYS 15 HZ2 LYS 15 1.063 8.065 2.707 112 HZ3 LYS 15 HZ3 LYS 15 0.480 9.274 1.669 113 H GLY 16 H GLY 16 2.134 3.215 1.704 114 HA2 GLY 16 HA2 GLY 16 -0.508 4.268 2.382 115 HA3 GLY 16 HA3 GLY 16 -0.182 2.899 1.323 116 H THR 17 H THR 17 -2.071 2.822 3.337 117 HA THR 17 HA THR 17 -0.858 1.208 5.454 118 HB THR 17 HB THR 17 -3.175 1.258 6.435 119 HG1 THR 17 HG1 THR 17 -4.120 1.795 4.285 120 HG21 THR 17 HG21 THR 17 -1.897 3.940 5.887 121 HG22 THR 17 HG22 THR 17 -1.457 2.829 7.184 122 HG23 THR 17 HG23 THR 17 -3.046 3.592 7.179 123 H CYS 18 H CYS 18 -1.113 -0.947 5.546 124 HA CYS 18 HA CYS 18 -2.346 -2.260 3.274 125 HB2 CYS 18 HB2 CYS 18 -0.097 -2.886 4.331 126 HB3 CYS 18 HB3 CYS 18 -1.038 -3.591 5.640 127 H GLU 19 H GLU 19 -4.531 -2.159 3.478 128 HA GLU 19 HA GLU 19 -5.691 -3.119 6.012 129 HB2 GLU 19 HB2 GLU 19 -6.616 -0.933 4.165 130 HB3 GLU 19 HB3 GLU 19 -7.649 -1.632 5.397 131 HG2 GLU 19 HG2 GLU 19 -4.998 -0.339 5.974 132 HG3 GLU 19 HG3 GLU 19 -6.544 0.504 6.048 133 H ASN 20 H ASN 20 -6.540 -5.040 5.733 134 HA ASN 20 HA ASN 20 -7.823 -6.742 4.962 135 HB2 ASN 20 HB2 ASN 20 -9.520 -4.872 5.057 136 HB3 ASN 20 HB3 ASN 20 -9.256 -4.637 3.336 137 HD21 ASN 20 HD21 ASN 20 -10.500 -6.777 5.778 138 HD22 ASN 20 HD22 ASN 20 -11.478 -7.734 4.723 139 H GLY 21 H GLY 21 -5.396 -6.284 3.646 140 HA2 GLY 21 HA2 GLY 21 -4.294 -7.288 1.882 141 HA3 GLY 21 HA3 GLY 21 -5.855 -7.822 1.268 142 H LYS 22 H LYS 22 -5.794 -4.518 1.909 143 HA LYS 22 HA LYS 22 -5.303 -3.931 -0.932 144 HB2 LYS 22 HB2 LYS 22 -7.682 -3.830 -0.461 145 HB3 LYS 22 HB3 LYS 22 -7.399 -2.795 0.928 146 HG2 LYS 22 HG2 LYS 22 -8.242 -1.488 -0.904 147 HG3 LYS 22 HG3 LYS 22 -6.569 -1.036 -0.576 148 HD2 LYS 22 HD2 LYS 22 -5.797 -2.311 -2.459 149 HD3 LYS 22 HD3 LYS 22 -7.410 -2.975 -2.726 150 HE2 LYS 22 HE2 LYS 22 -6.656 -0.061 -2.946 151 HE3 LYS 22 HE3 LYS 22 -6.881 -1.162 -4.304 152 HZ1 LYS 22 HZ1 LYS 22 -9.184 -1.455 -3.646 153 HZ2 LYS 22 HZ2 LYS 22 -8.847 0.179 -3.915 154 HZ3 LYS 22 HZ3 LYS 22 -8.973 -0.406 -2.334 155 H CYS 23 H CYS 23 -3.694 -2.561 -1.250 156 HA CYS 23 HA CYS 23 -2.523 -1.052 0.861 157 HB2 CYS 23 HB2 CYS 23 -1.233 -1.859 -1.092 158 HB3 CYS 23 HB3 CYS 23 -2.145 -0.763 -2.124 159 H VAL 24 H VAL 24 -3.481 0.630 1.731 160 HA VAL 24 HA VAL 24 -5.152 2.353 0.031 161 HB VAL 24 HB VAL 24 -5.213 2.096 3.039 162 HG11 VAL 24 HG11 VAL 24 -7.321 3.329 2.872 163 HG12 VAL 24 HG12 VAL 24 -7.095 3.475 1.129 164 HG13 VAL 24 HG13 VAL 24 -5.968 4.265 2.232 165 HG21 VAL 24 HG21 VAL 24 -7.072 0.915 0.979 166 HG22 VAL 24 HG22 VAL 24 -7.315 0.868 2.724 167 HG23 VAL 24 HG23 VAL 24 -5.947 0.021 2.000 168 H CYS 25 H CYS 25 -3.615 3.735 -0.726 169 HA CYS 25 HA CYS 25 -2.057 5.252 1.213 170 HB2 CYS 25 HB2 CYS 25 -1.039 6.280 -0.861 171 HB3 CYS 25 HB3 CYS 25 -0.753 4.557 -0.655 172 H GLY 26 H GLY 26 -3.866 6.288 2.149 173 HA2 GLY 26 HA2 GLY 26 -5.899 7.622 0.792 174 HA3 GLY 26 HA3 GLY 26 -5.388 7.987 2.431 175 H SER 27 H SER 27 -2.845 8.936 2.026 176 HA SER 27 HA SER 27 -2.919 10.983 -0.013 177 HB2 SER 27 HB2 SER 27 -2.867 11.730 2.924 178 HB3 SER 27 HB3 SER 27 -2.662 12.846 1.577 179 HG SER 27 HG SER 27 -4.889 11.547 1.101 Start of MODEL 9 1 H1 LEU 1 H1 LEU 1 3.593 1.763 5.608 2 H2 LEU 1 H2 LEU 1 2.599 0.438 5.942 3 H3 LEU 1 H3 LEU 1 2.139 1.565 4.767 4 HA LEU 1 HA LEU 1 3.942 0.936 3.352 5 HB2 LEU 1 HB2 LEU 1 4.605 -0.979 5.598 6 HB3 LEU 1 HB3 LEU 1 5.308 -1.064 3.997 7 HG LEU 1 HG LEU 1 5.631 1.275 5.884 8 HD11 LEU 1 HD11 LEU 1 6.733 -0.727 6.741 9 HD12 LEU 1 HD12 LEU 1 7.912 0.461 6.185 10 HD13 LEU 1 HD13 LEU 1 7.544 -0.950 5.192 11 HD21 LEU 1 HD21 LEU 1 5.816 1.937 3.564 12 HD22 LEU 1 HD22 LEU 1 6.926 0.606 3.243 13 HD23 LEU 1 HD23 LEU 1 7.414 1.926 4.308 14 H CYS 2 H CYS 2 3.582 -0.649 1.796 15 HA CYS 2 HA CYS 2 1.419 -2.547 2.431 16 HB2 CYS 2 HB2 CYS 2 2.130 -1.426 -0.284 17 HB3 CYS 2 HB3 CYS 2 0.748 -2.436 0.109 18 H LEU 3 H LEU 3 3.058 -4.013 3.193 19 HA LEU 3 HA LEU 3 4.819 -5.100 1.124 20 HB2 LEU 3 HB2 LEU 3 4.720 -5.715 4.077 21 HB3 LEU 3 HB3 LEU 3 5.937 -6.279 2.948 22 HG LEU 3 HG LEU 3 5.478 -3.397 3.730 23 HD11 LEU 3 HD11 LEU 3 7.600 -3.587 4.906 24 HD12 LEU 3 HD12 LEU 3 7.697 -5.294 4.477 25 HD13 LEU 3 HD13 LEU 3 6.417 -4.724 5.549 26 HD21 LEU 3 HD21 LEU 3 7.607 -3.000 2.542 27 HD22 LEU 3 HD22 LEU 3 6.315 -3.538 1.470 28 HD23 LEU 3 HD23 LEU 3 7.574 -4.669 1.972 29 H SER 4 H SER 4 2.179 -6.000 3.260 30 HA SER 4 HA SER 4 2.118 -8.660 2.017 31 HB2 SER 4 HB2 SER 4 0.768 -7.720 4.555 32 HB3 SER 4 HB3 SER 4 0.841 -9.377 3.957 33 HG SER 4 HG SER 4 2.507 -8.338 5.592 34 H CYS 5 H CYS 5 1.167 -6.468 0.561 35 HA CYS 5 HA CYS 5 -1.447 -7.353 -0.109 36 HB2 CYS 5 HB2 CYS 5 -2.502 -5.058 0.281 37 HB3 CYS 5 HB3 CYS 5 -2.249 -6.063 1.704 38 H ARG 6 H ARG 6 -2.420 -5.703 -1.778 39 HA ARG 6 HA ARG 6 -0.311 -4.426 -3.338 40 HB2 ARG 6 HB2 ARG 6 -0.739 -5.635 -5.323 41 HB3 ARG 6 HB3 ARG 6 -0.604 -6.847 -4.064 42 HG2 ARG 6 HG2 ARG 6 -3.192 -5.799 -5.186 43 HG3 ARG 6 HG3 ARG 6 -2.414 -7.307 -5.654 44 HD2 ARG 6 HD2 ARG 6 -3.523 -6.590 -2.947 45 HD3 ARG 6 HD3 ARG 6 -4.172 -7.773 -4.080 46 HE ARG 6 HE ARG 6 -1.526 -8.482 -3.463 47 HH11 ARG 6 HH11 ARG 6 -4.691 -8.325 -1.972 48 HH12 ARG 6 HH12 ARG 6 -4.350 -9.576 -0.821 49 HH21 ARG 6 HH21 ARG 6 -1.071 -10.112 -1.928 50 HH22 ARG 6 HH22 ARG 6 -2.296 -10.594 -0.795 51 H GLY 7 H GLY 7 -1.370 -3.359 -5.349 52 HA2 GLY 7 HA2 GLY 7 -3.790 -2.779 -6.049 53 HA3 GLY 7 HA3 GLY 7 -3.848 -2.061 -4.446 54 H GLY 8 H GLY 8 -1.551 -0.750 -4.163 55 HA2 GLY 8 HA2 GLY 8 -1.836 1.342 -6.200 56 HA3 GLY 8 HA3 GLY 8 -1.177 1.560 -4.586 57 H ASP 9 H ASP 9 0.284 2.704 -6.356 58 HA ASP 9 HA ASP 9 2.281 0.922 -7.463 59 HB2 ASP 9 HB2 ASP 9 2.049 3.932 -7.481 60 HB3 ASP 9 HB3 ASP 9 3.336 3.035 -8.270 61 H TYR 10 H TYR 10 4.619 2.186 -7.174 62 HA TYR 10 HA TYR 10 5.621 1.279 -4.784 63 HB2 TYR 10 HB2 TYR 10 7.058 1.814 -6.671 64 HB3 TYR 10 HB3 TYR 10 6.677 3.524 -6.506 65 HD1 TYR 10 HD1 TYR 10 8.467 0.693 -4.987 66 HD2 TYR 10 HD2 TYR 10 7.770 4.883 -4.863 67 HE1 TYR 10 HE1 TYR 10 10.376 0.960 -3.461 68 HE2 TYR 10 HE2 TYR 10 9.675 5.164 -3.338 69 HH TYR 10 HH TYR 10 10.962 3.827 -1.732 70 H ASP 11 H ASP 11 4.827 4.652 -5.590 71 HA ASP 11 HA ASP 11 5.518 5.798 -3.157 72 HB2 ASP 11 HB2 ASP 11 4.097 7.680 -3.805 73 HB3 ASP 11 HB3 ASP 11 5.012 7.101 -5.190 74 H CYS 12 H CYS 12 2.580 4.158 -4.125 75 HA CYS 12 HA CYS 12 1.118 4.832 -1.768 76 HB2 CYS 12 HB2 CYS 12 0.713 2.768 -3.922 77 HB3 CYS 12 HB3 CYS 12 -0.364 2.900 -2.537 78 H ARG 13 H ARG 13 3.283 2.248 -2.706 79 HA ARG 13 HA ARG 13 2.494 0.524 -0.549 80 HB2 ARG 13 HB2 ARG 13 4.961 0.378 -2.294 81 HB3 ARG 13 HB3 ARG 13 4.354 -0.902 -1.255 82 HG2 ARG 13 HG2 ARG 13 2.258 -0.892 -2.626 83 HG3 ARG 13 HG3 ARG 13 3.078 0.209 -3.738 84 HD2 ARG 13 HD2 ARG 13 3.268 -2.042 -4.572 85 HD3 ARG 13 HD3 ARG 13 4.854 -1.493 -4.039 86 HE ARG 13 HE ARG 13 4.394 -2.796 -1.955 87 HH11 ARG 13 HH11 ARG 13 2.899 -3.652 -5.001 88 HH12 ARG 13 HH12 ARG 13 2.629 -5.301 -4.555 89 HH21 ARG 13 HH21 ARG 13 4.059 -4.976 -1.367 90 HH22 ARG 13 HH22 ARG 13 3.286 -6.058 -2.482 91 H VAL 14 H VAL 14 4.416 3.256 -0.795 92 HA VAL 14 HA VAL 14 6.132 2.508 1.431 93 HB VAL 14 HB VAL 14 6.103 5.018 -0.249 94 HG11 VAL 14 HG11 VAL 14 6.961 5.504 1.957 95 HG12 VAL 14 HG12 VAL 14 8.297 5.465 0.806 96 HG13 VAL 14 HG13 VAL 14 8.025 4.101 1.888 97 HG21 VAL 14 HG21 VAL 14 6.793 3.047 -1.501 98 HG22 VAL 14 HG22 VAL 14 7.979 2.655 -0.256 99 HG23 VAL 14 HG23 VAL 14 8.164 4.119 -1.221 100 H LYS 15 H LYS 15 3.892 5.191 0.610 101 HA LYS 15 HA LYS 15 3.809 5.773 3.482 102 HB2 LYS 15 HB2 LYS 15 3.109 7.998 2.946 103 HB3 LYS 15 HB3 LYS 15 4.511 7.600 1.971 104 HG2 LYS 15 HG2 LYS 15 3.129 7.268 0.028 105 HG3 LYS 15 HG3 LYS 15 1.669 7.520 0.989 106 HD2 LYS 15 HD2 LYS 15 2.473 9.802 1.533 107 HD3 LYS 15 HD3 LYS 15 3.853 9.540 0.469 108 HE2 LYS 15 HE2 LYS 15 2.112 10.829 -0.650 109 HE3 LYS 15 HE3 LYS 15 2.344 9.270 -1.436 110 HZ1 LYS 15 HZ1 LYS 15 0.214 9.767 0.576 111 HZ2 LYS 15 HZ2 LYS 15 0.370 8.444 -0.477 112 HZ3 LYS 15 HZ3 LYS 15 -0.013 9.967 -1.090 113 H GLY 16 H GLY 16 2.142 3.874 1.589 114 HA2 GLY 16 HA2 GLY 16 -0.517 4.760 2.414 115 HA3 GLY 16 HA3 GLY 16 -0.162 3.451 1.293 116 H THR 17 H THR 17 -1.997 2.949 3.130 117 HA THR 17 HA THR 17 -0.654 1.490 5.288 118 HB THR 17 HB THR 17 -3.074 1.406 6.202 119 HG1 THR 17 HG1 THR 17 -4.495 2.393 4.985 120 HG21 THR 17 HG21 THR 17 -1.298 2.703 7.246 121 HG22 THR 17 HG22 THR 17 -2.808 3.613 7.261 122 HG23 THR 17 HG23 THR 17 -1.550 4.012 6.089 123 H CYS 18 H CYS 18 -0.816 -0.666 5.406 124 HA CYS 18 HA CYS 18 -2.077 -2.071 3.206 125 HB2 CYS 18 HB2 CYS 18 0.220 -2.608 4.176 126 HB3 CYS 18 HB3 CYS 18 -0.624 -3.263 5.572 127 H GLU 19 H GLU 19 -4.261 -2.109 3.442 128 HA GLU 19 HA GLU 19 -5.325 -3.155 5.977 129 HB2 GLU 19 HB2 GLU 19 -6.410 -0.819 4.403 130 HB3 GLU 19 HB3 GLU 19 -7.196 -1.542 5.797 131 HG2 GLU 19 HG2 GLU 19 -5.381 -0.866 7.227 132 HG3 GLU 19 HG3 GLU 19 -4.470 -0.267 5.845 133 H ASN 20 H ASN 20 -6.596 -4.812 5.732 134 HA ASN 20 HA ASN 20 -8.018 -6.362 4.897 135 HB2 ASN 20 HB2 ASN 20 -9.388 -4.180 4.638 136 HB3 ASN 20 HB3 ASN 20 -9.031 -4.334 2.925 137 HD21 ASN 20 HD21 ASN 20 -10.720 -5.671 5.629 138 HD22 ASN 20 HD22 ASN 20 -11.754 -6.726 4.728 139 H GLY 21 H GLY 21 -5.392 -6.075 3.757 140 HA2 GLY 21 HA2 GLY 21 -4.208 -7.254 2.165 141 HA3 GLY 21 HA3 GLY 21 -5.739 -7.806 1.498 142 H LYS 22 H LYS 22 -5.718 -4.468 1.811 143 HA LYS 22 HA LYS 22 -4.935 -4.170 -1.011 144 HB2 LYS 22 HB2 LYS 22 -7.402 -4.014 -0.604 145 HB3 LYS 22 HB3 LYS 22 -7.097 -2.649 0.456 146 HG2 LYS 22 HG2 LYS 22 -6.159 -1.398 -1.431 147 HG3 LYS 22 HG3 LYS 22 -6.515 -2.759 -2.496 148 HD2 LYS 22 HD2 LYS 22 -8.903 -2.540 -1.930 149 HD3 LYS 22 HD3 LYS 22 -8.522 -1.142 -0.924 150 HE2 LYS 22 HE2 LYS 22 -9.313 -0.349 -3.043 151 HE3 LYS 22 HE3 LYS 22 -7.582 -0.027 -2.945 152 HZ1 LYS 22 HZ1 LYS 22 -8.085 -0.891 -5.091 153 HZ2 LYS 22 HZ2 LYS 22 -8.904 -2.218 -4.442 154 HZ3 LYS 22 HZ3 LYS 22 -7.231 -2.084 -4.249 155 H CYS 23 H CYS 23 -3.551 -2.578 -1.477 156 HA CYS 23 HA CYS 23 -2.322 -1.088 0.640 157 HB2 CYS 23 HB2 CYS 23 -1.080 -1.932 -1.347 158 HB3 CYS 23 HB3 CYS 23 -1.975 -0.800 -2.350 159 H VAL 24 H VAL 24 -3.399 0.530 1.531 160 HA VAL 24 HA VAL 24 -5.194 2.154 -0.124 161 HB VAL 24 HB VAL 24 -4.981 1.998 2.887 162 HG11 VAL 24 HG11 VAL 24 -7.124 3.191 2.886 163 HG12 VAL 24 HG12 VAL 24 -7.052 3.315 1.128 164 HG13 VAL 24 HG13 VAL 24 -5.850 4.142 2.120 165 HG21 VAL 24 HG21 VAL 24 -7.070 0.724 2.786 166 HG22 VAL 24 HG22 VAL 24 -5.766 -0.105 1.938 167 HG23 VAL 24 HG23 VAL 24 -7.004 0.755 1.025 168 H CYS 25 H CYS 25 -4.065 3.780 -1.016 169 HA CYS 25 HA CYS 25 -2.348 5.356 0.769 170 HB2 CYS 25 HB2 CYS 25 -1.222 6.158 -1.303 171 HB3 CYS 25 HB3 CYS 25 -1.038 4.432 -1.007 172 H GLY 26 H GLY 26 -4.288 6.400 1.519 173 HA2 GLY 26 HA2 GLY 26 -5.476 8.277 -0.403 174 HA3 GLY 26 HA3 GLY 26 -6.153 7.854 1.162 175 H SER 27 H SER 27 -3.330 8.121 2.271 176 HA SER 27 HA SER 27 -3.552 10.972 2.823 177 HB2 SER 27 HB2 SER 27 -1.775 8.879 4.098 178 HB3 SER 27 HB3 SER 27 -2.023 10.525 4.679 179 HG SER 27 HG SER 27 -3.505 8.325 5.125 Start of MODEL 10 1 H1 LEU 1 H1 LEU 1 4.087 -0.704 6.517 2 H2 LEU 1 H2 LEU 1 5.377 0.377 6.364 3 H3 LEU 1 H3 LEU 1 5.588 -1.254 5.974 4 HA LEU 1 HA LEU 1 3.764 0.602 4.586 5 HB2 LEU 1 HB2 LEU 1 5.320 0.804 2.832 6 HB3 LEU 1 HB3 LEU 1 6.215 1.092 4.299 7 HG LEU 1 HG LEU 1 7.689 -0.123 3.001 8 HD11 LEU 1 HD11 LEU 1 6.316 -2.236 4.635 9 HD12 LEU 1 HD12 LEU 1 7.570 -1.126 5.191 10 HD13 LEU 1 HD13 LEU 1 7.944 -2.337 3.964 11 HD21 LEU 1 HD21 LEU 1 5.455 -1.962 2.179 12 HD22 LEU 1 HD22 LEU 1 7.136 -2.081 1.665 13 HD23 LEU 1 HD23 LEU 1 6.169 -0.681 1.200 14 H CYS 2 H CYS 2 3.154 -0.369 2.410 15 HA CYS 2 HA CYS 2 1.737 -2.731 3.082 16 HB2 CYS 2 HB2 CYS 2 1.980 -1.337 0.417 17 HB3 CYS 2 HB3 CYS 2 0.759 -2.523 0.852 18 H LEU 3 H LEU 3 3.253 -4.351 3.440 19 HA LEU 3 HA LEU 3 4.601 -5.384 1.047 20 HB2 LEU 3 HB2 LEU 3 4.830 -6.171 3.948 21 HB3 LEU 3 HB3 LEU 3 5.677 -6.975 2.641 22 HG LEU 3 HG LEU 3 6.037 -4.089 3.444 23 HD11 LEU 3 HD11 LEU 3 7.814 -6.485 3.871 24 HD12 LEU 3 HD12 LEU 3 6.918 -5.619 5.119 25 HD13 LEU 3 HD13 LEU 3 8.227 -4.814 4.252 26 HD21 LEU 3 HD21 LEU 3 8.001 -4.207 1.931 27 HD22 LEU 3 HD22 LEU 3 6.458 -4.351 1.092 28 HD23 LEU 3 HD23 LEU 3 7.442 -5.788 1.385 29 H SER 4 H SER 4 2.189 -6.176 3.467 30 HA SER 4 HA SER 4 1.579 -8.723 2.220 31 HB2 SER 4 HB2 SER 4 1.526 -8.529 4.672 32 HB3 SER 4 HB3 SER 4 0.288 -7.284 4.552 33 HG SER 4 HG SER 4 -0.659 -9.283 3.192 34 H CYS 5 H CYS 5 0.926 -5.647 1.440 35 HA CYS 5 HA CYS 5 -1.772 -6.271 0.478 36 HB2 CYS 5 HB2 CYS 5 -0.770 -3.654 1.597 37 HB3 CYS 5 HB3 CYS 5 -2.301 -3.841 0.747 38 H ARG 6 H ARG 6 -2.329 -5.584 -1.511 39 HA ARG 6 HA ARG 6 -0.161 -4.501 -3.178 40 HB2 ARG 6 HB2 ARG 6 -1.285 -5.632 -5.074 41 HB3 ARG 6 HB3 ARG 6 -0.759 -6.762 -3.832 42 HG2 ARG 6 HG2 ARG 6 -3.029 -6.894 -2.970 43 HG3 ARG 6 HG3 ARG 6 -3.565 -5.738 -4.191 44 HD2 ARG 6 HD2 ARG 6 -4.066 -8.070 -4.805 45 HD3 ARG 6 HD3 ARG 6 -2.990 -7.281 -5.957 46 HE ARG 6 HE ARG 6 -1.276 -8.529 -4.269 47 HH11 ARG 6 HH11 ARG 6 -4.093 -9.636 -6.021 48 HH12 ARG 6 HH12 ARG 6 -3.469 -11.234 -6.272 49 HH21 ARG 6 HH21 ARG 6 -0.436 -10.627 -4.613 50 HH22 ARG 6 HH22 ARG 6 -1.383 -11.795 -5.481 51 H GLY 7 H GLY 7 -1.159 -3.404 -5.212 52 HA2 GLY 7 HA2 GLY 7 -3.091 -2.139 -6.016 53 HA3 GLY 7 HA3 GLY 7 -3.432 -1.745 -4.336 54 H GLY 8 H GLY 8 -2.459 -0.381 -7.041 55 HA2 GLY 8 HA2 GLY 8 -1.599 1.751 -7.354 56 HA3 GLY 8 HA3 GLY 8 -1.171 1.792 -5.654 57 H ASP 9 H ASP 9 0.643 2.882 -7.090 58 HA ASP 9 HA ASP 9 2.615 0.984 -8.035 59 HB2 ASP 9 HB2 ASP 9 2.718 3.992 -7.756 60 HB3 ASP 9 HB3 ASP 9 4.011 3.013 -8.429 61 H TYR 10 H TYR 10 4.983 1.774 -7.235 62 HA TYR 10 HA TYR 10 5.268 0.693 -4.689 63 HB2 TYR 10 HB2 TYR 10 7.087 0.776 -6.331 64 HB3 TYR 10 HB3 TYR 10 7.156 2.526 -6.172 65 HD1 TYR 10 HD1 TYR 10 7.545 -0.614 -4.244 66 HD2 TYR 10 HD2 TYR 10 8.544 3.504 -4.568 67 HE1 TYR 10 HE1 TYR 10 9.169 -0.873 -2.423 68 HE2 TYR 10 HE2 TYR 10 10.179 3.259 -2.746 69 HH TYR 10 HH TYR 10 11.148 0.183 -1.561 70 H ASP 11 H ASP 11 5.392 4.078 -5.717 71 HA ASP 11 HA ASP 11 5.921 5.258 -3.255 72 HB2 ASP 11 HB2 ASP 11 6.026 6.437 -5.420 73 HB3 ASP 11 HB3 ASP 11 4.270 6.384 -5.526 74 H CYS 12 H CYS 12 2.945 3.991 -4.526 75 HA CYS 12 HA CYS 12 1.265 5.158 -2.510 76 HB2 CYS 12 HB2 CYS 12 0.164 4.601 -4.535 77 HB3 CYS 12 HB3 CYS 12 0.879 2.996 -4.575 78 H ARG 13 H ARG 13 2.996 2.147 -2.983 79 HA ARG 13 HA ARG 13 1.695 0.788 -0.815 80 HB2 ARG 13 HB2 ARG 13 4.193 0.026 -2.341 81 HB3 ARG 13 HB3 ARG 13 3.233 -1.040 -1.321 82 HG2 ARG 13 HG2 ARG 13 1.325 -0.752 -2.822 83 HG3 ARG 13 HG3 ARG 13 2.300 0.302 -3.848 84 HD2 ARG 13 HD2 ARG 13 3.870 -1.610 -4.184 85 HD3 ARG 13 HD3 ARG 13 2.727 -2.635 -3.309 86 HE ARG 13 HE ARG 13 1.674 -1.160 -5.583 87 HH11 ARG 13 HH11 ARG 13 2.926 -4.208 -4.378 88 HH12 ARG 13 HH12 ARG 13 2.224 -5.132 -5.666 89 HH21 ARG 13 HH21 ARG 13 0.756 -2.376 -7.255 90 HH22 ARG 13 HH22 ARG 13 0.995 -4.096 -7.302 91 H VAL 14 H VAL 14 4.218 3.007 -1.037 92 HA VAL 14 HA VAL 14 5.571 2.113 1.355 93 HB VAL 14 HB VAL 14 5.943 4.631 -0.271 94 HG11 VAL 14 HG11 VAL 14 8.072 4.844 0.939 95 HG12 VAL 14 HG12 VAL 14 7.627 3.465 1.943 96 HG13 VAL 14 HG13 VAL 14 6.683 4.953 2.021 97 HG21 VAL 14 HG21 VAL 14 7.510 2.060 -0.208 98 HG22 VAL 14 HG22 VAL 14 7.972 3.515 -1.091 99 HG23 VAL 14 HG23 VAL 14 6.504 2.643 -1.532 100 H LYS 15 H LYS 15 3.422 4.749 0.372 101 HA LYS 15 HA LYS 15 3.454 5.822 3.077 102 HB2 LYS 15 HB2 LYS 15 2.325 7.737 2.212 103 HB3 LYS 15 HB3 LYS 15 3.585 7.315 1.063 104 HG2 LYS 15 HG2 LYS 15 2.044 6.454 -0.484 105 HG3 LYS 15 HG3 LYS 15 0.747 6.422 0.709 106 HD2 LYS 15 HD2 LYS 15 0.353 8.280 -0.739 107 HD3 LYS 15 HD3 LYS 15 0.892 8.920 0.814 108 HE2 LYS 15 HE2 LYS 15 1.985 10.116 -0.977 109 HE3 LYS 15 HE3 LYS 15 3.173 9.145 -0.110 110 HZ1 LYS 15 HZ1 LYS 15 3.040 7.479 -1.851 111 HZ2 LYS 15 HZ2 LYS 15 3.457 8.980 -2.510 112 HZ3 LYS 15 HZ3 LYS 15 1.880 8.395 -2.675 113 H GLY 16 H GLY 16 1.599 3.680 1.231 114 HA2 GLY 16 HA2 GLY 16 -0.972 4.383 2.292 115 HA3 GLY 16 HA3 GLY 16 -0.591 2.982 1.301 116 H THR 17 H THR 17 -2.342 2.882 3.423 117 HA THR 17 HA THR 17 -0.893 1.464 5.522 118 HB THR 17 HB THR 17 -3.234 1.303 6.540 119 HG1 THR 17 HG1 THR 17 -4.821 2.054 5.364 120 HG21 THR 17 HG21 THR 17 -2.046 4.046 6.094 121 HG22 THR 17 HG22 THR 17 -1.554 2.897 7.337 122 HG23 THR 17 HG23 THR 17 -3.168 3.604 7.382 123 H CYS 18 H CYS 18 -0.857 -0.701 5.622 124 HA CYS 18 HA CYS 18 -2.023 -2.218 3.477 125 HB2 CYS 18 HB2 CYS 18 0.217 -2.737 4.422 126 HB3 CYS 18 HB3 CYS 18 -0.550 -3.173 5.942 127 H GLU 19 H GLU 19 -4.209 -2.255 3.613 128 HA GLU 19 HA GLU 19 -5.337 -3.398 6.072 129 HB2 GLU 19 HB2 GLU 19 -6.521 -1.218 4.358 130 HB3 GLU 19 HB3 GLU 19 -7.350 -2.000 5.695 131 HG2 GLU 19 HG2 GLU 19 -5.516 -1.211 7.193 132 HG3 GLU 19 HG3 GLU 19 -4.876 -0.294 5.835 133 H ASN 20 H ASN 20 -5.891 -5.363 5.612 134 HA ASN 20 HA ASN 20 -7.025 -7.130 4.767 135 HB2 ASN 20 HB2 ASN 20 -8.873 -5.341 5.021 136 HB3 ASN 20 HB3 ASN 20 -8.791 -5.213 3.271 137 HD21 ASN 20 HD21 ASN 20 -9.621 -7.219 5.962 138 HD22 ASN 20 HD22 ASN 20 -10.539 -8.388 5.076 139 H GLY 21 H GLY 21 -4.742 -6.274 3.345 140 HA2 GLY 21 HA2 GLY 21 -3.704 -7.226 1.491 141 HA3 GLY 21 HA3 GLY 21 -5.285 -7.665 0.861 142 H LYS 22 H LYS 22 -5.654 -4.534 1.641 143 HA LYS 22 HA LYS 22 -4.793 -3.658 -1.034 144 HB2 LYS 22 HB2 LYS 22 -7.198 -3.606 -0.880 145 HB3 LYS 22 HB3 LYS 22 -7.129 -2.762 0.657 146 HG2 LYS 22 HG2 LYS 22 -7.766 -1.257 -1.147 147 HG3 LYS 22 HG3 LYS 22 -6.219 -0.790 -0.442 148 HD2 LYS 22 HD2 LYS 22 -5.101 -2.028 -2.321 149 HD3 LYS 22 HD3 LYS 22 -6.694 -2.217 -3.055 150 HE2 LYS 22 HE2 LYS 22 -5.429 0.430 -2.347 151 HE3 LYS 22 HE3 LYS 22 -5.407 -0.289 -3.955 152 HZ1 LYS 22 HZ1 LYS 22 -7.685 -0.002 -4.198 153 HZ2 LYS 22 HZ2 LYS 22 -7.193 1.432 -3.433 154 HZ3 LYS 22 HZ3 LYS 22 -7.948 0.208 -2.542 155 H CYS 23 H CYS 23 -3.404 -2.037 -1.173 156 HA CYS 23 HA CYS 23 -2.467 -0.753 1.234 157 HB2 CYS 23 HB2 CYS 23 -1.005 -1.452 -0.738 158 HB3 CYS 23 HB3 CYS 23 -1.677 -0.064 -1.590 159 H VAL 24 H VAL 24 -3.600 0.842 2.071 160 HA VAL 24 HA VAL 24 -5.303 2.466 0.355 161 HB VAL 24 HB VAL 24 -5.058 2.468 3.365 162 HG11 VAL 24 HG11 VAL 24 -7.212 3.633 3.317 163 HG12 VAL 24 HG12 VAL 24 -7.157 3.657 1.555 164 HG13 VAL 24 HG13 VAL 24 -5.959 4.554 2.487 165 HG21 VAL 24 HG21 VAL 24 -5.825 0.305 2.537 166 HG22 VAL 24 HG22 VAL 24 -7.079 1.103 1.590 167 HG23 VAL 24 HG23 VAL 24 -7.131 1.163 3.351 168 H CYS 25 H CYS 25 -3.877 3.778 -0.704 169 HA CYS 25 HA CYS 25 -2.305 5.646 0.940 170 HB2 CYS 25 HB2 CYS 25 -1.007 6.077 -1.118 171 HB3 CYS 25 HB3 CYS 25 -0.959 4.379 -0.655 172 H GLY 26 H GLY 26 -5.118 5.934 0.595 173 HA2 GLY 26 HA2 GLY 26 -6.570 7.697 0.161 174 HA3 GLY 26 HA3 GLY 26 -5.267 8.519 -0.689 175 H SER 27 H SER 27 -5.913 5.254 -1.495 176 HA SER 27 HA SER 27 -7.425 6.051 -3.873 177 HB2 SER 27 HB2 SER 27 -4.948 5.753 -4.361 178 HB3 SER 27 HB3 SER 27 -5.145 4.057 -3.928 179 HG SER 27 HG SER 27 -6.850 5.214 -5.846
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