NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623706 | 6beu | 30363 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 DCY 1 H1 DCY 1 28.540 20.950 7.530 2 HA DCY 1 HA DCY 1 31.420 21.490 7.230 3 HB2 DCY 1 HB1 DCY 1 29.680 19.060 7.720 4 HB3 DCY 1 HB2 DCY 1 31.400 19.050 8.000 5 H ASN 2 H ASN 2 32.760 21.500 8.840 6 HA ASN 2 HA ASN 2 31.840 21.520 11.660 7 HB2 ASN 2 HB2 ASN 2 34.440 20.850 10.370 8 HB3 ASN 2 HB1 ASN 2 34.150 20.810 12.200 9 HD21 ASN 2 1HD2 ASN 2 33.340 19.090 9.090 10 HD22 ASN 2 2HD2 ASN 2 32.680 17.780 9.980 11 H DVA 3 H DVA 3 31.240 23.640 9.950 12 HA DVA 3 HA DVA 3 32.380 25.710 11.670 13 HB DVA 3 HB DVA 3 30.690 27.280 10.580 14 HG11 DVA 3 1HG1 DVA 3 30.100 26.010 8.620 15 HG12 DVA 3 2HG1 DVA 3 28.690 26.220 9.710 16 HG13 DVA 3 3HG1 DVA 3 29.480 24.670 9.480 17 HG21 DVA 3 1HG2 DVA 3 28.980 26.500 12.030 18 HG22 DVA 3 2HG2 DVA 3 30.510 26.270 12.800 19 HG23 DVA 3 3HG2 DVA 3 29.700 24.820 12.140 20 HA DPR 4 HA DPR 4 35.230 26.980 8.740 21 HB2 DPR 4 HB1 DPR 4 35.610 29.590 8.900 22 HB3 DPR 4 HB2 DPR 4 36.080 28.470 10.230 23 HG2 DPR 4 HG1 DPR 4 33.530 30.050 10.060 24 HG3 DPR 4 HG2 DPR 4 34.630 29.860 11.510 25 HD2 DPR 4 HD1 DPR 4 32.320 28.430 11.110 26 HD3 DPR 4 HD2 DPR 4 33.840 27.770 11.900 27 H ASP 5 H ASP 5 35.230 27.660 6.590 28 HA ASP 5 HA ASP 5 33.360 29.400 5.220 29 HB2 ASP 5 HB2 ASP 5 35.410 30.790 4.500 30 HB3 ASP 5 HB1 ASP 5 34.540 31.060 5.990 31 H VAL 6 H VAL 6 33.710 26.620 4.820 32 HA VAL 6 HA VAL 6 34.780 26.780 2.080 33 HB VAL 6 HB VAL 6 35.860 24.510 2.470 34 HG11 VAL 6 1HG1 VAL 6 36.980 26.870 3.080 35 HG12 VAL 6 2HG1 VAL 6 37.750 25.200 3.230 36 HG13 VAL 6 3HG1 VAL 6 37.050 26.230 4.610 37 HG21 VAL 6 1HG2 VAL 6 35.250 24.650 5.410 38 HG22 VAL 6 2HG2 VAL 6 36.030 23.440 4.430 39 HG23 VAL 6 3HG2 VAL 6 34.330 23.640 4.200 40 H TYR 7 H TYR 7 34.570 24.720 0.980 41 HA TYR 7 HA TYR 7 31.810 24.030 0.620 42 HB2 TYR 7 HB2 TYR 7 34.110 22.330 -0.390 43 HB3 TYR 7 HB1 TYR 7 32.470 22.100 -0.650 44 HD1 TYR 7 HD1 TYR 7 31.340 23.500 -2.290 45 HD2 TYR 7 HD2 TYR 7 35.380 24.230 -1.140 46 HE1 TYR 7 HE1 TYR 7 31.670 24.690 -4.450 47 HE2 TYR 7 HE2 TYR 7 35.670 25.550 -3.330 48 HH TYR 7 HH TYR 7 34.720 26.490 -5.090 49 H CYS 8 H CYS 8 30.600 22.340 1.140 50 HA CYS 8 HA CYS 8 31.510 19.950 2.660 51 HB2 CYS 8 HB2 CYS 8 31.070 21.380 4.320 52 HB3 CYS 8 HB1 CYS 8 29.490 21.830 3.730 53 HA DPR 9 HA DPR 9 27.640 18.120 0.940 54 HB2 DPR 9 HB1 DPR 9 29.880 17.000 -0.860 55 HB3 DPR 9 HB2 DPR 9 28.300 16.250 -0.500 56 HG2 DPR 9 HG1 DPR 9 30.410 15.580 1.070 57 HG3 DPR 9 HG2 DPR 9 28.910 16.100 1.810 58 HD2 DPR 9 HD1 DPR 9 31.310 17.840 1.490 59 HD3 DPR 9 HD2 DPR 9 30.130 17.670 2.850 60 H DSG 10 H DAN 10 30.000 19.890 -1.040 61 HA DSG 10 HA DAN 10 28.390 19.770 -3.460 62 HB2 DSG 10 HB1 DAN 10 30.510 20.100 -4.570 63 HB3 DSG 10 HB2 DAN 10 30.400 18.710 -3.590 64 HD21 DSG 10 1HD2 DAN 10 32.700 20.930 -4.580 65 HD22 DSG 10 2HD2 DAN 10 33.570 21.130 -3.110 66 H LYS 11 H LYS 11 28.700 22.060 -0.980 67 HA LYS 11 HA LYS 11 29.380 24.140 -2.650 68 HB2 LYS 11 HB2 LYS 11 27.500 25.600 -2.240 69 HB3 LYS 11 HB1 LYS 11 27.020 23.960 -3.020 70 HG2 LYS 11 HG2 LYS 11 26.170 23.230 -0.880 71 HG3 LYS 11 HG1 LYS 11 26.810 24.620 -0.120 72 HD2 LYS 11 HD2 LYS 11 24.360 24.420 -2.000 73 HD3 LYS 11 HD1 LYS 11 24.440 24.880 -0.250 74 HE2 LYS 11 HE2 LYS 11 25.620 26.980 -0.870 75 HE3 LYS 11 HE1 LYS 11 25.640 26.420 -2.560 76 HZ1 LYS 11 HZ1 LYS 11 23.090 27.020 -1.180 77 HZ2 LYS 11 HZ2 LYS 11 23.400 26.690 -2.750 78 HZ3 LYS 11 HZ3 LYS 11 23.960 28.030 -2.140 79 H TYR 12 H TYR 12 29.630 26.300 -1.400 80 HA TYR 12 HA TYR 12 31.050 25.970 1.060 81 HB2 TYR 12 HB2 TYR 12 29.900 28.300 -0.450 82 HB3 TYR 12 HB1 TYR 12 30.410 28.530 1.190 83 HD1 TYR 12 HD1 TYR 12 32.160 26.890 -1.690 84 HD2 TYR 12 HD2 TYR 12 32.180 29.610 1.580 85 HE1 TYR 12 HE1 TYR 12 34.500 27.570 -2.200 86 HE2 TYR 12 HE2 TYR 12 34.680 30.010 1.360 87 HH TYR 12 HH TYR 12 36.530 29.430 0.060 88 H DVA 13 H DVA 13 30.590 26.180 3.000 89 HA DVA 13 HA DVA 13 27.820 26.510 3.830 90 HB DVA 13 HB DVA 13 28.540 27.360 6.000 91 HG11 DVA 13 1HG1 DVA 13 31.210 27.500 4.800 92 HG12 DVA 13 2HG1 DVA 13 30.860 26.330 6.240 93 HG13 DVA 13 3HG1 DVA 13 30.760 28.070 6.480 94 HG21 DVA 13 1HG2 DVA 13 29.600 28.950 3.780 95 HG22 DVA 13 2HG2 DVA 13 29.100 29.480 5.350 96 HG23 DVA 13 3HG2 DVA 13 27.850 28.720 4.280 97 HA DPR 14 HA DPR 14 27.500 22.560 5.600 98 HB2 DPR 14 HB1 DPR 14 27.170 23.590 8.370 99 HB3 DPR 14 HB2 DPR 14 26.270 22.340 7.430 100 HG2 DPR 14 HG1 DPR 14 25.410 24.940 7.750 101 HG3 DPR 14 HG2 DPR 14 25.140 23.980 6.260 102 HD2 DPR 14 HD1 DPR 14 27.230 26.080 6.990 103 HD3 DPR 14 HD2 DPR 14 26.210 25.920 5.460 Start of MODEL 2 1 H1 DCY 1 H1 DCY 1 28.887 20.893 6.337 2 HA DCY 1 HA DCY 1 31.352 21.059 6.992 3 HB2 DCY 1 HB1 DCY 1 29.673 18.695 7.444 4 HB3 DCY 1 HB2 DCY 1 31.113 18.628 8.355 5 H ASN 2 H ASN 2 32.486 22.087 8.873 6 HA ASN 2 HA ASN 2 31.289 21.814 11.506 7 HB2 ASN 2 HB2 ASN 2 34.173 21.310 10.517 8 HB3 ASN 2 HB1 ASN 2 33.751 21.405 12.254 9 HD21 ASN 2 1HD2 ASN 2 34.363 19.331 9.628 10 HD22 ASN 2 2HD2 ASN 2 33.337 17.969 10.119 11 H DVA 3 H DVA 3 31.126 24.002 9.810 12 HA DVA 3 HA DVA 3 32.420 25.957 11.564 13 HB DVA 3 HB DVA 3 30.963 27.745 10.509 14 HG11 DVA 3 1HG1 DVA 3 29.025 25.530 10.027 15 HG12 DVA 3 2HG1 DVA 3 29.965 26.510 8.774 16 HG13 DVA 3 3HG1 DVA 3 28.825 27.325 9.825 17 HG21 DVA 3 1HG2 DVA 3 29.104 27.443 12.117 18 HG22 DVA 3 2HG2 DVA 3 30.634 27.066 12.836 19 HG23 DVA 3 3HG2 DVA 3 29.567 25.716 12.377 20 HA DPR 4 HA DPR 4 35.275 26.892 8.731 21 HB2 DPR 4 HB1 DPR 4 35.291 29.788 9.058 22 HB3 DPR 4 HB2 DPR 4 36.521 28.638 9.296 23 HG2 DPR 4 HG1 DPR 4 35.050 29.777 11.337 24 HG3 DPR 4 HG2 DPR 4 35.793 28.088 11.451 25 HD2 DPR 4 HD1 DPR 4 32.983 29.102 10.775 26 HD3 DPR 4 HD2 DPR 4 33.553 27.627 11.812 27 H ASP 5 H ASP 5 35.893 27.705 6.591 28 HA ASP 5 HA ASP 5 33.780 29.289 5.271 29 HB2 ASP 5 HB2 ASP 5 35.741 30.747 4.359 30 HB3 ASP 5 HB1 ASP 5 34.816 31.023 5.827 31 H VAL 6 H VAL 6 34.099 26.667 4.749 32 HA VAL 6 HA VAL 6 34.944 26.833 1.962 33 HB VAL 6 HB VAL 6 35.960 24.528 2.035 34 HG11 VAL 6 1HG1 VAL 6 38.001 25.100 3.245 35 HG12 VAL 6 2HG1 VAL 6 37.202 26.570 3.920 36 HG13 VAL 6 3HG1 VAL 6 37.501 26.357 2.137 37 HG21 VAL 6 1HG2 VAL 6 36.266 23.312 3.911 38 HG22 VAL 6 2HG2 VAL 6 34.612 24.088 4.166 39 HG23 VAL 6 3HG2 VAL 6 35.999 24.746 5.032 40 H TYR 7 H TYR 7 34.297 24.872 0.610 41 HA TYR 7 HA TYR 7 31.628 24.078 0.650 42 HB2 TYR 7 HB2 TYR 7 34.269 22.800 -0.289 43 HB3 TYR 7 HB1 TYR 7 32.766 22.075 -0.607 44 HD1 TYR 7 HD1 TYR 7 31.172 23.669 -1.960 45 HD2 TYR 7 HD2 TYR 7 35.404 24.270 -1.713 46 HE1 TYR 7 HE1 TYR 7 31.056 24.966 -4.104 47 HE2 TYR 7 HE2 TYR 7 35.352 25.209 -4.024 48 HH TYR 7 HH TYR 7 34.213 25.445 -5.848 49 H CYS 8 H CYS 8 30.429 22.672 1.758 50 HA CYS 8 HA CYS 8 31.790 20.176 1.963 51 HB2 CYS 8 HB2 CYS 8 31.947 20.707 4.222 52 HB3 CYS 8 HB1 CYS 8 30.335 21.392 4.269 53 HA DPR 9 HA DPR 9 27.536 18.816 0.906 54 HB2 DPR 9 HB1 DPR 9 28.230 16.872 -0.914 55 HB3 DPR 9 HB2 DPR 9 28.192 16.556 0.887 56 HG2 DPR 9 HG1 DPR 9 30.625 17.150 -0.716 57 HG3 DPR 9 HG2 DPR 9 30.283 15.853 0.481 58 HD2 DPR 9 HD1 DPR 9 31.577 18.136 1.267 59 HD3 DPR 9 HD2 DPR 9 30.240 17.513 2.278 60 H DSG 10 H DAN 10 30.403 19.504 -1.099 61 HA DSG 10 HA DAN 10 28.867 19.989 -3.516 62 HB2 DSG 10 HB1 DAN 10 31.022 20.534 -4.499 63 HB3 DSG 10 HB2 DAN 10 30.893 18.965 -3.806 64 HD21 DSG 10 1HD2 DAN 10 33.100 21.514 -4.198 65 HD22 DSG 10 2HD2 DAN 10 34.047 21.137 -2.812 66 H LYS 11 H LYS 11 28.774 21.842 -0.950 67 HA LYS 11 HA LYS 11 28.699 24.466 -2.388 68 HB2 LYS 11 HB2 LYS 11 26.504 23.383 -2.605 69 HB3 LYS 11 HB1 LYS 11 26.497 23.198 -0.730 70 HG2 LYS 11 HG2 LYS 11 26.382 25.598 -0.601 71 HG3 LYS 11 HG1 LYS 11 26.529 25.687 -2.395 72 HD2 LYS 11 HD2 LYS 11 24.216 25.973 -1.438 73 HD3 LYS 11 HD1 LYS 11 24.295 24.557 -2.532 74 HE2 LYS 11 HE2 LYS 11 24.403 23.011 -0.751 75 HE3 LYS 11 HE1 LYS 11 24.564 24.276 0.469 76 HZ1 LYS 11 HZ1 LYS 11 22.216 23.739 0.371 77 HZ2 LYS 11 HZ2 LYS 11 22.236 24.184 -1.215 78 HZ3 LYS 11 HZ3 LYS 11 22.459 25.275 -0.199 79 H TYR 12 H TYR 12 28.907 26.306 -1.201 80 HA TYR 12 HA TYR 12 30.748 26.009 0.841 81 HB2 TYR 12 HB2 TYR 12 29.636 28.181 -0.772 82 HB3 TYR 12 HB1 TYR 12 29.700 28.655 0.911 83 HD1 TYR 12 HD1 TYR 12 31.712 26.530 -1.487 84 HD2 TYR 12 HD2 TYR 12 31.596 29.789 1.298 85 HE1 TYR 12 HE1 TYR 12 34.176 26.893 -1.817 86 HE2 TYR 12 HE2 TYR 12 34.097 30.182 0.949 87 HH TYR 12 HH TYR 12 35.865 29.580 -0.355 88 H DVA 13 H DVA 13 30.508 25.699 3.029 89 HA DVA 13 HA DVA 13 27.937 26.427 4.349 90 HB DVA 13 HB DVA 13 29.203 27.082 6.421 91 HG11 DVA 13 1HG1 DVA 13 31.260 25.425 5.601 92 HG12 DVA 13 2HG1 DVA 13 31.516 26.818 6.505 93 HG13 DVA 13 3HG1 DVA 13 31.683 26.965 4.739 94 HG21 DVA 13 1HG2 DVA 13 29.833 28.993 5.753 95 HG22 DVA 13 2HG2 DVA 13 28.616 28.648 4.667 96 HG23 DVA 13 3HG2 DVA 13 30.274 28.556 3.989 97 HA DPR 14 HA DPR 14 27.841 22.371 5.399 98 HB2 DPR 14 HB1 DPR 14 26.416 22.250 7.791 99 HB3 DPR 14 HB2 DPR 14 25.719 22.795 6.160 100 HG2 DPR 14 HG1 DPR 14 26.824 24.496 8.486 101 HG3 DPR 14 HG2 DPR 14 25.213 24.592 7.626 102 HD2 DPR 14 HD1 DPR 14 27.467 26.052 7.016 103 HD3 DPR 14 HD2 DPR 14 26.228 25.533 5.833 Start of MODEL 3 1 H1 DCY 1 H1 DCY 1 28.824 20.980 7.188 2 HA DCY 1 HA DCY 1 31.771 21.171 7.296 3 HB2 DCY 1 HB1 DCY 1 30.130 18.716 7.935 4 HB3 DCY 1 HB2 DCY 1 31.712 18.889 8.180 5 H ASN 2 H ASN 2 32.715 21.253 9.334 6 HA ASN 2 HA ASN 2 30.927 21.401 11.625 7 HB2 ASN 2 HB2 ASN 2 33.847 20.871 11.549 8 HB3 ASN 2 HB1 ASN 2 33.046 21.381 12.993 9 HD21 ASN 2 1HD2 ASN 2 33.528 18.755 10.794 10 HD22 ASN 2 2HD2 ASN 2 32.335 17.660 11.409 11 H DVA 3 H DVA 3 31.287 23.687 9.571 12 HA DVA 3 HA DVA 3 32.319 25.697 11.470 13 HB DVA 3 HB DVA 3 30.765 27.257 10.488 14 HG11 DVA 3 1HG1 DVA 3 29.841 25.800 8.581 15 HG12 DVA 3 2HG1 DVA 3 28.516 26.208 9.810 16 HG13 DVA 3 3HG1 DVA 3 29.234 24.685 9.780 17 HG21 DVA 3 1HG2 DVA 3 29.772 25.209 12.224 18 HG22 DVA 3 2HG2 DVA 3 29.135 26.903 12.091 19 HG23 DVA 3 3HG2 DVA 3 30.780 26.623 12.705 20 HA DPR 4 HA DPR 4 35.007 27.042 8.634 21 HB2 DPR 4 HB1 DPR 4 35.527 29.737 9.417 22 HB3 DPR 4 HB2 DPR 4 36.163 28.205 10.163 23 HG2 DPR 4 HG1 DPR 4 33.743 29.959 10.729 24 HG3 DPR 4 HG2 DPR 4 34.829 29.225 11.966 25 HD2 DPR 4 HD1 DPR 4 32.495 28.095 11.506 26 HD3 DPR 4 HD2 DPR 4 33.990 27.053 11.682 27 H ASP 5 H ASP 5 35.161 27.705 6.533 28 HA ASP 5 HA ASP 5 33.196 28.969 5.099 29 HB2 ASP 5 HB2 ASP 5 34.286 31.092 4.433 30 HB3 ASP 5 HB1 ASP 5 33.610 30.957 6.012 31 H VAL 6 H VAL 6 34.053 26.681 4.562 32 HA VAL 6 HA VAL 6 34.923 27.181 1.961 33 HB VAL 6 HB VAL 6 36.371 25.250 1.726 34 HG11 VAL 6 1HG1 VAL 6 38.382 26.071 2.784 35 HG12 VAL 6 2HG1 VAL 6 37.482 27.364 3.623 36 HG13 VAL 6 3HG1 VAL 6 37.494 27.315 1.878 37 HG21 VAL 6 1HG2 VAL 6 37.311 24.195 3.582 38 HG22 VAL 6 2HG2 VAL 6 35.568 24.012 3.856 39 HG23 VAL 6 3HG2 VAL 6 36.520 25.186 4.810 40 H TYR 7 H TYR 7 34.963 24.384 1.300 41 HA TYR 7 HA TYR 7 32.141 24.229 0.705 42 HB2 TYR 7 HB2 TYR 7 34.481 22.506 -0.372 43 HB3 TYR 7 HB1 TYR 7 32.938 22.064 -0.498 44 HD1 TYR 7 HD1 TYR 7 31.304 23.205 -1.884 45 HD2 TYR 7 HD2 TYR 7 35.310 24.531 -1.610 46 HE1 TYR 7 HE1 TYR 7 30.998 24.417 -4.016 47 HE2 TYR 7 HE2 TYR 7 35.088 25.775 -3.823 48 HH TYR 7 HH TYR 7 33.654 26.366 -5.476 49 H CYS 8 H CYS 8 30.749 22.551 1.314 50 HA CYS 8 HA CYS 8 31.780 20.003 2.160 51 HB2 CYS 8 HB2 CYS 8 31.530 21.255 4.454 52 HB3 CYS 8 HB1 CYS 8 29.844 21.534 3.890 53 HA DPR 9 HA DPR 9 27.552 18.823 1.328 54 HB2 DPR 9 HB1 DPR 9 28.029 16.639 -0.316 55 HB3 DPR 9 HB2 DPR 9 28.326 16.555 1.417 56 HG2 DPR 9 HG1 DPR 9 30.254 17.042 -0.800 57 HG3 DPR 9 HG2 DPR 9 30.460 15.987 0.713 58 HD2 DPR 9 HD1 DPR 9 31.525 18.512 0.441 59 HD3 DPR 9 HD2 DPR 9 30.881 17.806 1.918 60 H DSG 10 H DAN 10 29.729 19.776 -1.038 61 HA DSG 10 HA DAN 10 27.935 19.760 -3.262 62 HB2 DSG 10 HB1 DAN 10 29.832 19.832 -4.631 63 HB3 DSG 10 HB2 DAN 10 30.163 18.624 -3.279 64 HD21 DSG 10 1HD2 DAN 10 31.423 21.169 -4.830 65 HD22 DSG 10 2HD2 DAN 10 32.858 21.399 -3.713 66 H LYS 11 H LYS 11 28.916 21.934 -1.048 67 HA LYS 11 HA LYS 11 28.691 24.317 -2.697 68 HB2 LYS 11 HB2 LYS 11 26.613 23.655 -0.583 69 HB3 LYS 11 HB1 LYS 11 26.926 25.294 -1.135 70 HG2 LYS 11 HG2 LYS 11 26.345 24.607 -3.450 71 HG3 LYS 11 HG1 LYS 11 25.813 23.019 -2.797 72 HD2 LYS 11 HD2 LYS 11 24.307 24.002 -1.197 73 HD3 LYS 11 HD1 LYS 11 24.605 25.644 -1.715 74 HE2 LYS 11 HE2 LYS 11 24.034 25.203 -3.985 75 HE3 LYS 11 HE1 LYS 11 23.509 23.499 -3.711 76 HZ1 LYS 11 HZ1 LYS 11 22.424 25.820 -2.333 77 HZ2 LYS 11 HZ2 LYS 11 21.983 24.202 -2.144 78 HZ3 LYS 11 HZ3 LYS 11 21.602 24.924 -3.422 79 H TYR 12 H TYR 12 28.932 26.533 -1.182 80 HA TYR 12 HA TYR 12 31.011 26.042 0.820 81 HB2 TYR 12 HB2 TYR 12 30.046 28.112 -0.947 82 HB3 TYR 12 HB1 TYR 12 29.892 28.593 0.743 83 HD1 TYR 12 HD1 TYR 12 32.348 26.494 -1.122 84 HD2 TYR 12 HD2 TYR 12 31.752 29.858 1.467 85 HE1 TYR 12 HE1 TYR 12 34.745 27.138 -1.314 86 HE2 TYR 12 HE2 TYR 12 34.030 30.589 1.253 87 HH TYR 12 HH TYR 12 36.148 30.013 0.302 88 H DVA 13 H DVA 13 30.792 26.308 2.806 89 HA DVA 13 HA DVA 13 28.196 26.472 4.114 90 HB DVA 13 HB DVA 13 29.103 27.149 6.210 91 HG11 DVA 13 1HG1 DVA 13 31.233 25.952 6.051 92 HG12 DVA 13 2HG1 DVA 13 31.356 27.496 6.723 93 HG13 DVA 13 3HG1 DVA 13 31.848 27.187 4.974 94 HG21 DVA 13 1HG2 DVA 13 28.538 28.984 4.759 95 HG22 DVA 13 2HG2 DVA 13 30.147 28.870 3.999 96 HG23 DVA 13 3HG2 DVA 13 30.011 29.387 5.644 97 HA DPR 14 HA DPR 14 28.134 22.234 5.247 98 HB2 DPR 14 HB1 DPR 14 27.267 23.174 7.964 99 HB3 DPR 14 HB2 DPR 14 26.443 22.033 6.857 100 HG2 DPR 14 HG1 DPR 14 25.539 24.521 7.052 101 HG3 DPR 14 HG2 DPR 14 25.585 23.636 5.425 102 HD2 DPR 14 HD1 DPR 14 27.342 25.789 6.524 103 HD3 DPR 14 HD2 DPR 14 26.784 25.634 4.957 Start of MODEL 4 1 H1 DCY 1 H1 DCY 1 28.830 20.812 6.686 2 HA DCY 1 HA DCY 1 31.331 21.528 7.709 3 HB2 DCY 1 HB1 DCY 1 29.818 18.923 7.669 4 HB3 DCY 1 HB2 DCY 1 31.531 19.139 8.199 5 H ASN 2 H ASN 2 32.434 21.420 9.563 6 HA ASN 2 HA ASN 2 30.737 21.579 11.898 7 HB2 ASN 2 HB2 ASN 2 33.669 20.888 11.586 8 HB3 ASN 2 HB1 ASN 2 32.916 21.067 13.195 9 HD21 ASN 2 1HD2 ASN 2 34.282 18.879 12.029 10 HD22 ASN 2 2HD2 ASN 2 33.083 17.632 11.645 11 H DVA 3 H DVA 3 31.351 23.710 9.809 12 HA DVA 3 HA DVA 3 32.308 25.783 11.718 13 HB DVA 3 HB DVA 3 31.037 27.409 10.511 14 HG11 DVA 3 1HG1 DVA 3 29.215 25.119 9.761 15 HG12 DVA 3 2HG1 DVA 3 30.104 26.261 8.688 16 HG13 DVA 3 3HG1 DVA 3 28.729 26.776 9.817 17 HG21 DVA 3 1HG2 DVA 3 30.515 26.444 12.869 18 HG22 DVA 3 2HG2 DVA 3 29.569 25.272 12.264 19 HG23 DVA 3 3HG2 DVA 3 28.971 26.955 12.127 20 HA DPR 4 HA DPR 4 35.311 26.880 8.447 21 HB2 DPR 4 HB1 DPR 4 35.460 29.517 9.036 22 HB3 DPR 4 HB2 DPR 4 36.482 28.155 9.756 23 HG2 DPR 4 HG1 DPR 4 34.212 29.718 10.953 24 HG3 DPR 4 HG2 DPR 4 35.578 28.923 11.798 25 HD2 DPR 4 HD1 DPR 4 33.007 28.209 11.464 26 HD3 DPR 4 HD2 DPR 4 34.245 27.056 11.993 27 H ASP 5 H ASP 5 35.341 27.527 6.429 28 HA ASP 5 HA ASP 5 33.237 29.384 5.462 29 HB2 ASP 5 HB2 ASP 5 34.998 30.877 4.522 30 HB3 ASP 5 HB1 ASP 5 34.891 30.794 6.292 31 H VAL 6 H VAL 6 34.499 26.585 4.728 32 HA VAL 6 HA VAL 6 34.583 27.255 1.839 33 HB VAL 6 HB VAL 6 36.043 25.421 1.394 34 HG11 VAL 6 1HG1 VAL 6 38.052 26.466 2.140 35 HG12 VAL 6 2HG1 VAL 6 37.019 27.433 3.270 36 HG13 VAL 6 3HG1 VAL 6 36.888 27.660 1.525 37 HG21 VAL 6 1HG2 VAL 6 36.397 25.194 4.404 38 HG22 VAL 6 2HG2 VAL 6 37.358 24.409 3.099 39 HG23 VAL 6 3HG2 VAL 6 35.774 23.936 3.378 40 H TYR 7 H TYR 7 34.457 24.827 0.772 41 HA TYR 7 HA TYR 7 31.762 24.109 0.685 42 HB2 TYR 7 HB2 TYR 7 32.580 22.463 -1.044 43 HB3 TYR 7 HB1 TYR 7 32.986 24.085 -1.245 44 HD1 TYR 7 HD1 TYR 7 35.169 24.803 -1.213 45 HD2 TYR 7 HD2 TYR 7 34.303 20.770 -0.113 46 HE1 TYR 7 HE1 TYR 7 37.613 24.215 -1.566 47 HE2 TYR 7 HE2 TYR 7 36.673 20.057 -0.614 48 HH TYR 7 HH TYR 7 38.797 20.918 -0.760 49 H CYS 8 H CYS 8 30.605 22.684 1.416 50 HA CYS 8 HA CYS 8 31.544 19.976 2.451 51 HB2 CYS 8 HB2 CYS 8 30.955 21.672 4.366 52 HB3 CYS 8 HB1 CYS 8 29.367 21.755 3.530 53 HA DPR 9 HA DPR 9 27.735 18.310 1.137 54 HB2 DPR 9 HB1 DPR 9 29.530 16.790 -0.789 55 HB3 DPR 9 HB2 DPR 9 28.037 16.301 -0.085 56 HG2 DPR 9 HG1 DPR 9 30.401 15.561 1.005 57 HG3 DPR 9 HG2 DPR 9 29.037 16.132 2.000 58 HD2 DPR 9 HD1 DPR 9 31.461 17.782 1.299 59 HD3 DPR 9 HD2 DPR 9 30.503 17.746 2.768 60 H DSG 10 H DAN 10 30.113 19.628 -1.039 61 HA DSG 10 HA DAN 10 28.264 20.023 -3.198 62 HB2 DSG 10 HB1 DAN 10 30.171 20.242 -4.650 63 HB3 DSG 10 HB2 DAN 10 30.362 18.768 -3.766 64 HD21 DSG 10 1HD2 DAN 10 32.398 20.734 -5.095 65 HD22 DSG 10 2HD2 DAN 10 33.424 21.038 -3.665 66 H LYS 11 H LYS 11 28.116 21.834 -1.017 67 HA LYS 11 HA LYS 11 28.084 24.494 -2.329 68 HB2 LYS 11 HB2 LYS 11 26.442 23.215 -0.192 69 HB3 LYS 11 HB1 LYS 11 26.530 24.964 -0.416 70 HG2 LYS 11 HG2 LYS 11 25.907 23.014 -2.622 71 HG3 LYS 11 HG1 LYS 11 24.631 23.847 -1.718 72 HD2 LYS 11 HD2 LYS 11 25.526 25.985 -2.628 73 HD3 LYS 11 HD1 LYS 11 26.642 25.047 -3.555 74 HE2 LYS 11 HE2 LYS 11 25.045 25.267 -5.125 75 HE3 LYS 11 HE1 LYS 11 24.446 23.767 -4.434 76 HZ1 LYS 11 HZ1 LYS 11 23.347 26.449 -4.105 77 HZ2 LYS 11 HZ2 LYS 11 22.931 25.261 -3.013 78 HZ3 LYS 11 HZ3 LYS 11 22.575 25.078 -4.550 79 H TYR 12 H TYR 12 28.755 26.283 -1.089 80 HA TYR 12 HA TYR 12 30.913 25.867 0.958 81 HB2 TYR 12 HB2 TYR 12 29.887 28.223 -0.601 82 HB3 TYR 12 HB1 TYR 12 30.749 28.480 0.944 83 HD1 TYR 12 HD1 TYR 12 31.314 26.331 -1.965 84 HD2 TYR 12 HD2 TYR 12 32.854 29.130 0.763 85 HE1 TYR 12 HE1 TYR 12 33.536 26.190 -3.180 86 HE2 TYR 12 HE2 TYR 12 35.116 29.022 -0.324 87 HH TYR 12 HH TYR 12 36.270 28.204 -1.980 88 H DVA 13 H DVA 13 30.447 25.762 2.863 89 HA DVA 13 HA DVA 13 27.843 26.612 3.905 90 HB DVA 13 HB DVA 13 28.740 27.499 5.960 91 HG11 DVA 13 1HG1 DVA 13 31.139 26.534 5.885 92 HG12 DVA 13 2HG1 DVA 13 30.912 28.186 6.352 93 HG13 DVA 13 3HG1 DVA 13 31.530 27.722 4.745 94 HG21 DVA 13 1HG2 DVA 13 29.635 29.025 3.517 95 HG22 DVA 13 2HG2 DVA 13 29.308 29.667 5.122 96 HG23 DVA 13 3HG2 DVA 13 28.001 28.922 4.156 97 HA DPR 14 HA DPR 14 27.781 22.594 5.369 98 HB2 DPR 14 HB1 DPR 14 27.117 23.527 8.121 99 HB3 DPR 14 HB2 DPR 14 26.175 22.386 7.150 100 HG2 DPR 14 HG1 DPR 14 25.304 24.805 7.391 101 HG3 DPR 14 HG2 DPR 14 25.338 24.021 5.731 102 HD2 DPR 14 HD1 DPR 14 27.118 26.206 6.708 103 HD3 DPR 14 HD2 DPR 14 26.474 25.861 5.154 Start of MODEL 5 1 H1 DCY 1 H1 DCY 1 28.568 21.045 7.350 2 HA DCY 1 HA DCY 1 31.536 21.394 7.245 3 HB2 DCY 1 HB1 DCY 1 29.826 18.946 7.627 4 HB3 DCY 1 HB2 DCY 1 31.550 19.029 8.053 5 H ASN 2 H ASN 2 32.755 21.418 9.326 6 HA ASN 2 HA ASN 2 31.152 21.376 11.781 7 HB2 ASN 2 HB2 ASN 2 34.137 21.209 11.207 8 HB3 ASN 2 HB1 ASN 2 33.379 21.027 12.796 9 HD21 ASN 2 1HD2 ASN 2 33.949 19.260 9.683 10 HD22 ASN 2 2HD2 ASN 2 33.215 17.792 10.168 11 H DVA 3 H DVA 3 31.394 23.709 9.759 12 HA DVA 3 HA DVA 3 32.490 25.647 11.769 13 HB DVA 3 HB DVA 3 31.095 27.414 10.908 14 HG11 DVA 3 1HG1 DVA 3 30.733 26.385 8.592 15 HG12 DVA 3 2HG1 DVA 3 29.423 27.158 9.332 16 HG13 DVA 3 3HG1 DVA 3 29.436 25.422 9.381 17 HG21 DVA 3 1HG2 DVA 3 30.720 25.882 12.895 18 HG22 DVA 3 2HG2 DVA 3 29.591 25.072 11.926 19 HG23 DVA 3 3HG2 DVA 3 29.240 26.745 12.235 20 HA DPR 4 HA DPR 4 35.357 26.543 8.299 21 HB2 DPR 4 HB1 DPR 4 36.298 28.912 8.900 22 HB3 DPR 4 HB2 DPR 4 36.666 27.473 9.861 23 HG2 DPR 4 HG1 DPR 4 34.678 29.636 10.680 24 HG3 DPR 4 HG2 DPR 4 35.880 28.738 11.659 25 HD2 DPR 4 HD1 DPR 4 33.235 28.221 11.426 26 HD3 DPR 4 HD2 DPR 4 34.502 26.978 11.880 27 H ASP 5 H ASP 5 35.360 27.670 6.495 28 HA ASP 5 HA ASP 5 33.342 29.722 5.687 29 HB2 ASP 5 HB2 ASP 5 34.876 31.228 4.757 30 HB3 ASP 5 HB1 ASP 5 35.062 31.007 6.429 31 H VAL 6 H VAL 6 34.749 26.774 5.072 32 HA VAL 6 HA VAL 6 34.976 27.085 2.160 33 HB VAL 6 HB VAL 6 35.814 24.726 2.254 34 HG11 VAL 6 1HG1 VAL 6 37.286 26.574 1.955 35 HG12 VAL 6 2HG1 VAL 6 38.042 25.447 3.078 36 HG13 VAL 6 3HG1 VAL 6 37.352 26.898 3.718 37 HG21 VAL 6 1HG2 VAL 6 35.828 25.022 5.189 38 HG22 VAL 6 2HG2 VAL 6 36.350 23.564 4.173 39 HG23 VAL 6 3HG2 VAL 6 34.708 24.019 4.250 40 H TYR 7 H TYR 7 34.529 24.612 1.124 41 HA TYR 7 HA TYR 7 31.666 24.280 1.121 42 HB2 TYR 7 HB2 TYR 7 32.339 22.652 -0.716 43 HB3 TYR 7 HB1 TYR 7 32.612 24.313 -1.102 44 HD1 TYR 7 HD1 TYR 7 34.865 25.375 -0.882 45 HD2 TYR 7 HD2 TYR 7 34.306 21.092 -1.013 46 HE1 TYR 7 HE1 TYR 7 37.262 25.125 -1.238 47 HE2 TYR 7 HE2 TYR 7 36.718 20.887 -1.501 48 HH TYR 7 HH TYR 7 38.628 21.828 -1.562 49 H CYS 8 H CYS 8 30.545 22.568 1.518 50 HA CYS 8 HA CYS 8 31.727 20.045 2.302 51 HB2 CYS 8 HB2 CYS 8 31.048 21.380 4.511 52 HB3 CYS 8 HB1 CYS 8 29.485 21.710 3.730 53 HA DPR 9 HA DPR 9 27.790 18.644 1.175 54 HB2 DPR 9 HB1 DPR 9 28.534 16.776 -0.815 55 HB3 DPR 9 HB2 DPR 9 28.156 16.398 0.869 56 HG2 DPR 9 HG1 DPR 9 30.843 16.829 -0.520 57 HG3 DPR 9 HG2 DPR 9 30.527 15.886 0.894 58 HD2 DPR 9 HD1 DPR 9 31.670 18.373 0.913 59 HD3 DPR 9 HD2 DPR 9 30.707 17.647 2.355 60 H DSG 10 H DAN 10 30.160 19.451 -1.222 61 HA DSG 10 HA DAN 10 28.395 19.689 -3.579 62 HB2 DSG 10 HB1 DAN 10 30.443 20.117 -4.629 63 HB3 DSG 10 HB2 DAN 10 30.709 18.671 -3.603 64 HD21 DSG 10 1HD2 DAN 10 32.197 21.430 -4.473 65 HD22 DSG 10 2HD2 DAN 10 33.170 21.791 -2.995 66 H LYS 11 H LYS 11 28.733 21.673 -1.006 67 HA LYS 11 HA LYS 11 28.570 24.094 -2.584 68 HB2 LYS 11 HB2 LYS 11 26.486 22.828 -0.721 69 HB3 LYS 11 HB1 LYS 11 26.568 24.542 -0.859 70 HG2 LYS 11 HG2 LYS 11 26.138 24.490 -3.188 71 HG3 LYS 11 HG1 LYS 11 26.508 22.798 -3.299 72 HD2 LYS 11 HD2 LYS 11 24.560 22.117 -2.309 73 HD3 LYS 11 HD1 LYS 11 24.227 23.529 -1.456 74 HE2 LYS 11 HE2 LYS 11 24.091 23.755 -4.465 75 HE3 LYS 11 HE1 LYS 11 22.821 22.927 -3.606 76 HZ1 LYS 11 HZ1 LYS 11 23.437 25.762 -2.884 77 HZ2 LYS 11 HZ2 LYS 11 22.388 24.761 -2.297 78 HZ3 LYS 11 HZ3 LYS 11 22.261 25.176 -3.911 79 H TYR 12 H TYR 12 28.713 26.171 -1.468 80 HA TYR 12 HA TYR 12 30.742 26.007 0.613 81 HB2 TYR 12 HB2 TYR 12 29.767 28.127 -1.279 82 HB3 TYR 12 HB1 TYR 12 30.103 28.644 0.240 83 HD1 TYR 12 HD1 TYR 12 31.740 26.609 -2.488 84 HD2 TYR 12 HD2 TYR 12 32.187 29.054 1.018 85 HE1 TYR 12 HE1 TYR 12 34.226 26.849 -2.923 86 HE2 TYR 12 HE2 TYR 12 34.683 28.977 0.737 87 HH TYR 12 HH TYR 12 36.388 28.549 -0.795 88 H DVA 13 H DVA 13 30.572 26.337 2.607 89 HA DVA 13 HA DVA 13 27.945 26.613 3.746 90 HB DVA 13 HB DVA 13 28.946 27.390 5.862 91 HG11 DVA 13 1HG1 DVA 13 31.322 26.466 5.356 92 HG12 DVA 13 2HG1 DVA 13 31.017 27.890 6.388 93 HG13 DVA 13 3HG1 DVA 13 31.627 27.947 4.625 94 HG21 DVA 13 1HG2 DVA 13 29.735 29.634 5.164 95 HG22 DVA 13 2HG2 DVA 13 28.165 29.143 4.370 96 HG23 DVA 13 3HG2 DVA 13 29.604 28.970 3.458 97 HA DPR 14 HA DPR 14 28.079 22.584 5.191 98 HB2 DPR 14 HB1 DPR 14 27.085 23.278 7.918 99 HB3 DPR 14 HB2 DPR 14 26.312 22.339 6.557 100 HG2 DPR 14 HG1 DPR 14 25.531 24.771 7.395 101 HG3 DPR 14 HG2 DPR 14 25.324 24.263 5.691 102 HD2 DPR 14 HD1 DPR 14 27.448 26.032 6.799 103 HD3 DPR 14 HD2 DPR 14 26.692 26.071 5.280 Start of MODEL 6 1 H1 DCY 1 H1 DCY 1 28.069 21.638 7.446 2 HA DCY 1 HA DCY 1 31.016 21.259 7.297 3 HB2 DCY 1 HB1 DCY 1 28.749 19.409 7.533 4 HB3 DCY 1 HB2 DCY 1 30.294 18.916 8.053 5 H ASN 2 H ASN 2 31.923 22.027 8.924 6 HA ASN 2 HA ASN 2 31.034 21.528 11.664 7 HB2 ASN 2 HB2 ASN 2 33.592 20.694 10.317 8 HB3 ASN 2 HB1 ASN 2 33.320 20.536 12.034 9 HD21 ASN 2 1HD2 ASN 2 33.220 18.827 9.015 10 HD22 ASN 2 2HD2 ASN 2 31.937 17.668 9.424 11 H DVA 3 H DVA 3 31.730 24.029 9.762 12 HA DVA 3 HA DVA 3 33.449 25.383 11.727 13 HB DVA 3 HB DVA 3 31.847 27.460 11.335 14 HG11 DVA 3 1HG1 DVA 3 30.746 26.684 9.285 15 HG12 DVA 3 2HG1 DVA 3 29.627 27.126 10.418 16 HG13 DVA 3 3HG1 DVA 3 29.924 25.395 10.086 17 HG21 DVA 3 1HG2 DVA 3 30.426 26.966 13.038 18 HG22 DVA 3 2HG2 DVA 3 31.817 26.176 13.365 19 HG23 DVA 3 3HG2 DVA 3 30.545 25.116 12.776 20 HA DPR 4 HA DPR 4 35.639 27.062 8.448 21 HB2 DPR 4 HB1 DPR 4 35.166 29.716 9.710 22 HB3 DPR 4 HB2 DPR 4 36.663 29.032 8.889 23 HG2 DPR 4 HG1 DPR 4 36.537 28.979 11.570 24 HG3 DPR 4 HG2 DPR 4 36.916 27.471 10.774 25 HD2 DPR 4 HD1 DPR 4 34.162 28.218 11.744 26 HD3 DPR 4 HD2 DPR 4 35.145 26.717 11.918 27 H ASP 5 H ASP 5 35.523 27.734 6.484 28 HA ASP 5 HA ASP 5 33.186 29.021 5.292 29 HB2 ASP 5 HB2 ASP 5 34.437 30.753 4.321 30 HB3 ASP 5 HB1 ASP 5 34.296 30.959 6.083 31 H VAL 6 H VAL 6 34.553 26.389 4.758 32 HA VAL 6 HA VAL 6 34.962 26.945 1.924 33 HB VAL 6 HB VAL 6 36.408 24.945 1.715 34 HG11 VAL 6 1HG1 VAL 6 38.365 25.660 2.858 35 HG12 VAL 6 2HG1 VAL 6 37.359 26.614 3.929 36 HG13 VAL 6 3HG1 VAL 6 37.454 27.147 2.201 37 HG21 VAL 6 1HG2 VAL 6 37.162 23.682 3.492 38 HG22 VAL 6 2HG2 VAL 6 35.403 23.803 3.812 39 HG23 VAL 6 3HG2 VAL 6 36.706 24.755 4.694 40 H TYR 7 H TYR 7 34.944 24.398 1.038 41 HA TYR 7 HA TYR 7 32.168 24.011 0.587 42 HB2 TYR 7 HB2 TYR 7 33.002 21.682 -0.278 43 HB3 TYR 7 HB1 TYR 7 33.534 23.157 -1.131 44 HD1 TYR 7 HD1 TYR 7 35.866 23.450 -1.696 45 HD2 TYR 7 HD2 TYR 7 34.633 20.614 1.424 46 HE1 TYR 7 HE1 TYR 7 38.161 22.892 -1.118 47 HE2 TYR 7 HE2 TYR 7 36.954 19.988 1.737 48 HH TYR 7 HH TYR 7 38.952 20.566 1.423 49 H CYS 8 H CYS 8 30.688 22.424 1.056 50 HA CYS 8 HA CYS 8 31.575 20.220 2.676 51 HB2 CYS 8 HB2 CYS 8 30.551 21.649 4.503 52 HB3 CYS 8 HB1 CYS 8 29.110 21.839 3.427 53 HA DPR 9 HA DPR 9 28.703 17.673 0.537 54 HB2 DPR 9 HB1 DPR 9 31.025 17.290 -1.319 55 HB3 DPR 9 HB2 DPR 9 29.730 16.125 -0.684 56 HG2 DPR 9 HG1 DPR 9 32.221 16.349 0.269 57 HG3 DPR 9 HG2 DPR 9 30.995 16.101 1.410 58 HD2 DPR 9 HD1 DPR 9 32.338 18.629 0.524 59 HD3 DPR 9 HD2 DPR 9 31.861 18.112 2.167 60 H DSG 10 H DAN 10 30.554 20.133 -1.435 61 HA DSG 10 HA DAN 10 28.547 20.087 -3.480 62 HB2 DSG 10 HB1 DAN 10 30.398 20.701 -4.924 63 HB3 DSG 10 HB2 DAN 10 30.690 19.230 -4.105 64 HD21 DSG 10 1HD2 DAN 10 32.461 21.943 -5.144 65 HD22 DSG 10 2HD2 DAN 10 33.626 21.946 -3.905 66 H LYS 11 H LYS 11 27.938 21.451 -1.369 67 HA LYS 11 HA LYS 11 27.511 24.163 -2.247 68 HB2 LYS 11 HB2 LYS 11 26.663 22.777 0.312 69 HB3 LYS 11 HB1 LYS 11 26.193 24.416 -0.221 70 HG2 LYS 11 HG2 LYS 11 25.230 23.669 -2.342 71 HG3 LYS 11 HG1 LYS 11 25.483 22.025 -1.857 72 HD2 LYS 11 HD2 LYS 11 24.360 22.276 0.216 73 HD3 LYS 11 HD1 LYS 11 23.891 23.924 -0.130 74 HE2 LYS 11 HE2 LYS 11 22.640 23.091 -2.077 75 HE3 LYS 11 HE1 LYS 11 23.085 21.346 -1.793 76 HZ1 LYS 11 HZ1 LYS 11 21.154 21.701 -0.553 77 HZ2 LYS 11 HZ2 LYS 11 21.510 23.143 0.018 78 HZ3 LYS 11 HZ3 LYS 11 22.354 21.899 0.559 79 H TYR 12 H TYR 12 28.015 26.066 -0.729 80 HA TYR 12 HA TYR 12 30.527 25.678 0.846 81 HB2 TYR 12 HB2 TYR 12 29.634 27.780 -0.975 82 HB3 TYR 12 HB1 TYR 12 30.248 28.262 0.657 83 HD1 TYR 12 HD1 TYR 12 31.014 25.700 -1.905 84 HD2 TYR 12 HD2 TYR 12 32.458 28.821 0.547 85 HE1 TYR 12 HE1 TYR 12 33.440 25.134 -2.607 86 HE2 TYR 12 HE2 TYR 12 34.810 28.504 -0.207 87 HH TYR 12 HH TYR 12 36.198 26.939 -1.493 88 H DVA 13 H DVA 13 30.595 26.109 3.060 89 HA DVA 13 HA DVA 13 27.981 26.968 4.056 90 HB DVA 13 HB DVA 13 28.958 27.579 6.040 91 HG11 DVA 13 1HG1 DVA 13 31.713 26.726 4.917 92 HG12 DVA 13 2HG1 DVA 13 30.891 25.933 6.234 93 HG13 DVA 13 3HG1 DVA 13 31.420 27.542 6.443 94 HG21 DVA 13 1HG2 DVA 13 30.516 29.506 5.311 95 HG22 DVA 13 2HG2 DVA 13 28.966 29.390 4.507 96 HG23 DVA 13 3HG2 DVA 13 30.497 28.709 3.714 97 HA DPR 14 HA DPR 14 27.278 22.944 5.484 98 HB2 DPR 14 HB1 DPR 14 26.547 23.806 8.246 99 HB3 DPR 14 HB2 DPR 14 25.687 22.969 6.910 100 HG2 DPR 14 HG1 DPR 14 25.420 25.648 7.748 101 HG3 DPR 14 HG2 DPR 14 25.072 25.131 6.013 102 HD2 DPR 14 HD1 DPR 14 27.554 26.434 7.179 103 HD3 DPR 14 HD2 DPR 14 26.777 26.722 5.674 Start of MODEL 7 1 H1 DCY 1 H1 DCY 1 28.886 20.722 7.004 2 HA DCY 1 HA DCY 1 31.669 21.493 7.387 3 HB2 DCY 1 HB1 DCY 1 30.081 18.947 7.604 4 HB3 DCY 1 HB2 DCY 1 31.646 19.048 8.224 5 H ASN 2 H ASN 2 32.640 21.786 9.343 6 HA ASN 2 HA ASN 2 31.205 21.638 11.914 7 HB2 ASN 2 HB2 ASN 2 34.174 21.107 11.216 8 HB3 ASN 2 HB1 ASN 2 33.394 21.102 12.724 9 HD21 ASN 2 1HD2 ASN 2 34.640 19.162 10.252 10 HD22 ASN 2 2HD2 ASN 2 33.520 17.812 10.497 11 H DVA 3 H DVA 3 31.627 23.933 9.747 12 HA DVA 3 HA DVA 3 32.496 25.942 11.671 13 HB DVA 3 HB DVA 3 30.851 27.417 10.857 14 HG11 DVA 3 1HG1 DVA 3 31.212 27.271 8.485 15 HG12 DVA 3 2HG1 DVA 3 29.529 27.135 8.823 16 HG13 DVA 3 3HG1 DVA 3 30.342 25.675 8.421 17 HG21 DVA 3 1HG2 DVA 3 29.518 24.794 10.949 18 HG22 DVA 3 2HG2 DVA 3 28.602 26.362 10.895 19 HG23 DVA 3 3HG2 DVA 3 29.735 26.018 12.191 20 HA DPR 4 HA DPR 4 35.510 27.254 8.912 21 HB2 DPR 4 HB1 DPR 4 35.890 30.001 9.370 22 HB3 DPR 4 HB2 DPR 4 36.213 28.775 10.519 23 HG2 DPR 4 HG1 DPR 4 33.831 30.494 10.463 24 HG3 DPR 4 HG2 DPR 4 34.713 29.858 11.848 25 HD2 DPR 4 HD1 DPR 4 32.301 28.900 10.776 26 HD3 DPR 4 HD2 DPR 4 33.268 28.087 11.988 27 H ASP 5 H ASP 5 35.857 27.903 6.807 28 HA ASP 5 HA ASP 5 33.755 29.319 5.400 29 HB2 ASP 5 HB2 ASP 5 36.582 30.580 5.460 30 HB3 ASP 5 HB1 ASP 5 35.299 30.903 4.342 31 H VAL 6 H VAL 6 33.913 26.866 4.846 32 HA VAL 6 HA VAL 6 35.274 26.456 2.236 33 HB VAL 6 HB VAL 6 35.479 24.044 3.345 34 HG11 VAL 6 1HG1 VAL 6 37.910 24.446 3.222 35 HG12 VAL 6 2HG1 VAL 6 37.656 26.122 2.941 36 HG13 VAL 6 3HG1 VAL 6 36.948 24.982 1.784 37 HG21 VAL 6 1HG2 VAL 6 36.748 25.889 5.407 38 HG22 VAL 6 2HG2 VAL 6 36.901 24.178 5.240 39 HG23 VAL 6 3HG2 VAL 6 35.321 24.818 5.639 40 H TYR 7 H TYR 7 34.666 24.453 1.112 41 HA TYR 7 HA TYR 7 31.791 24.184 0.835 42 HB2 TYR 7 HB2 TYR 7 32.465 22.442 -0.792 43 HB3 TYR 7 HB1 TYR 7 33.074 24.002 -1.098 44 HD1 TYR 7 HD1 TYR 7 35.507 24.536 -0.686 45 HD2 TYR 7 HD2 TYR 7 33.973 20.571 -0.032 46 HE1 TYR 7 HE1 TYR 7 37.815 23.517 -0.790 47 HE2 TYR 7 HE2 TYR 7 36.035 19.564 -0.455 48 HH TYR 7 HH TYR 7 38.379 20.036 -1.038 49 H CYS 8 H CYS 8 30.385 22.498 1.365 50 HA CYS 8 HA CYS 8 31.509 20.052 2.398 51 HB2 CYS 8 HB2 CYS 8 31.010 21.304 4.185 52 HB3 CYS 8 HB1 CYS 8 29.211 21.426 3.673 53 HA DPR 9 HA DPR 9 27.762 18.160 0.413 54 HB2 DPR 9 HB1 DPR 9 29.976 16.944 -1.246 55 HB3 DPR 9 HB2 DPR 9 28.470 16.132 -0.551 56 HG2 DPR 9 HG1 DPR 9 30.935 15.890 0.581 57 HG3 DPR 9 HG2 DPR 9 29.497 16.150 1.624 58 HD2 DPR 9 HD1 DPR 9 31.582 18.094 0.862 59 HD3 DPR 9 HD2 DPR 9 30.696 17.964 2.380 60 H DSG 10 H DAN 10 30.234 19.527 -1.739 61 HA DSG 10 HA DAN 10 28.300 19.828 -3.864 62 HB2 DSG 10 HB1 DAN 10 29.975 20.399 -5.333 63 HB3 DSG 10 HB2 DAN 10 30.528 18.983 -4.291 64 HD21 DSG 10 1HD2 DAN 10 32.295 20.407 -5.798 65 HD22 DSG 10 2HD2 DAN 10 33.398 21.153 -4.615 66 H LYS 11 H LYS 11 28.610 21.808 -1.194 67 HA LYS 11 HA LYS 11 29.033 24.176 -2.601 68 HB2 LYS 11 HB2 LYS 11 26.751 25.109 -1.820 69 HB3 LYS 11 HB1 LYS 11 26.359 23.618 -2.755 70 HG2 LYS 11 HG2 LYS 11 26.610 22.524 -0.344 71 HG3 LYS 11 HG1 LYS 11 26.178 24.101 0.112 72 HD2 LYS 11 HD2 LYS 11 24.335 23.847 -1.850 73 HD3 LYS 11 HD1 LYS 11 24.829 22.154 -1.843 74 HE2 LYS 11 HE2 LYS 11 22.790 22.446 -0.559 75 HE3 LYS 11 HE1 LYS 11 24.110 22.032 0.504 76 HZ1 LYS 11 HZ1 LYS 11 23.052 24.752 0.054 77 HZ2 LYS 11 HZ2 LYS 11 24.256 24.349 1.127 78 HZ3 LYS 11 HZ3 LYS 11 22.805 23.878 1.474 79 H TYR 12 H TYR 12 28.783 26.114 -1.339 80 HA TYR 12 HA TYR 12 30.522 25.765 0.919 81 HB2 TYR 12 HB2 TYR 12 30.006 27.984 -0.861 82 HB3 TYR 12 HB1 TYR 12 30.149 28.524 0.744 83 HD1 TYR 12 HD1 TYR 12 31.912 26.131 -1.697 84 HD2 TYR 12 HD2 TYR 12 32.197 29.068 1.518 85 HE1 TYR 12 HE1 TYR 12 34.290 26.278 -2.019 86 HE2 TYR 12 HE2 TYR 12 34.701 28.889 1.322 87 HH TYR 12 HH TYR 12 36.250 28.259 0.097 88 H DVA 13 H DVA 13 30.172 25.559 2.864 89 HA DVA 13 HA DVA 13 27.700 26.464 4.302 90 HB DVA 13 HB DVA 13 29.050 27.410 6.027 91 HG11 DVA 13 1HG1 DVA 13 31.219 26.025 5.182 92 HG12 DVA 13 2HG1 DVA 13 31.420 27.575 6.024 93 HG13 DVA 13 3HG1 DVA 13 31.527 27.430 4.241 94 HG21 DVA 13 1HG2 DVA 13 30.060 29.379 4.782 95 HG22 DVA 13 2HG2 DVA 13 28.330 29.016 4.567 96 HG23 DVA 13 3HG2 DVA 13 29.528 28.510 3.310 97 HA DPR 14 HA DPR 14 27.849 22.401 5.665 98 HB2 DPR 14 HB1 DPR 14 27.067 22.591 8.292 99 HB3 DPR 14 HB2 DPR 14 25.920 22.826 6.953 100 HG2 DPR 14 HG1 DPR 14 27.545 24.832 8.568 101 HG3 DPR 14 HG2 DPR 14 25.742 24.903 8.283 102 HD2 DPR 14 HD1 DPR 14 27.245 26.330 6.614 103 HD3 DPR 14 HD2 DPR 14 26.037 25.358 5.907 Start of MODEL 8 1 H1 DCY 1 H1 DCY 1 28.620 20.940 6.898 2 HA DCY 1 HA DCY 1 31.505 21.515 7.171 3 HB2 DCY 1 HB1 DCY 1 29.900 18.912 7.602 4 HB3 DCY 1 HB2 DCY 1 31.321 19.229 8.346 5 H ASN 2 H ASN 2 32.641 21.589 8.985 6 HA ASN 2 HA ASN 2 31.107 21.303 11.555 7 HB2 ASN 2 HB2 ASN 2 34.057 20.856 10.923 8 HB3 ASN 2 HB1 ASN 2 33.186 20.706 12.448 9 HD21 ASN 2 1HD2 ASN 2 34.109 19.263 9.549 10 HD22 ASN 2 2HD2 ASN 2 33.268 17.692 9.943 11 H DVA 3 H DVA 3 31.553 23.801 9.849 12 HA DVA 3 HA DVA 3 32.837 25.487 11.847 13 HB DVA 3 HB DVA 3 31.125 27.300 11.302 14 HG11 DVA 3 1HG1 DVA 3 30.305 25.615 9.434 15 HG12 DVA 3 2HG1 DVA 3 29.084 26.722 10.254 16 HG13 DVA 3 3HG1 DVA 3 29.276 25.022 10.721 17 HG21 DVA 3 1HG2 DVA 3 29.628 26.470 13.022 18 HG22 DVA 3 2HG2 DVA 3 31.236 26.067 13.443 19 HG23 DVA 3 3HG2 DVA 3 30.251 24.790 12.764 20 HA DPR 4 HA DPR 4 35.030 26.467 8.351 21 HB2 DPR 4 HB1 DPR 4 36.281 28.873 8.926 22 HB3 DPR 4 HB2 DPR 4 36.755 27.335 9.759 23 HG2 DPR 4 HG1 DPR 4 34.875 29.506 10.761 24 HG3 DPR 4 HG2 DPR 4 36.106 28.550 11.677 25 HD2 DPR 4 HD1 DPR 4 33.546 28.072 11.763 26 HD3 DPR 4 HD2 DPR 4 34.731 26.681 11.845 27 H ASP 5 H ASP 5 35.379 27.957 6.467 28 HA ASP 5 HA ASP 5 32.788 29.089 5.750 29 HB2 ASP 5 HB2 ASP 5 33.869 30.894 4.760 30 HB3 ASP 5 HB1 ASP 5 33.831 30.930 6.483 31 H VAL 6 H VAL 6 34.544 26.662 4.822 32 HA VAL 6 HA VAL 6 34.865 27.350 1.932 33 HB VAL 6 HB VAL 6 36.285 25.433 1.832 34 HG11 VAL 6 1HG1 VAL 6 37.159 27.630 1.864 35 HG12 VAL 6 2HG1 VAL 6 38.194 26.336 2.749 36 HG13 VAL 6 3HG1 VAL 6 37.313 27.629 3.564 37 HG21 VAL 6 1HG2 VAL 6 36.354 25.372 4.851 38 HG22 VAL 6 2HG2 VAL 6 37.297 24.413 3.824 39 HG23 VAL 6 3HG2 VAL 6 35.500 24.150 3.897 40 H TYR 7 H TYR 7 34.914 24.747 0.915 41 HA TYR 7 HA TYR 7 32.058 24.181 0.633 42 HB2 TYR 7 HB2 TYR 7 32.387 22.883 -1.012 43 HB3 TYR 7 HB1 TYR 7 33.488 24.117 -1.361 44 HD1 TYR 7 HD1 TYR 7 35.927 23.912 -1.039 45 HD2 TYR 7 HD2 TYR 7 33.336 20.557 -0.478 46 HE1 TYR 7 HE1 TYR 7 37.817 22.285 -1.669 47 HE2 TYR 7 HE2 TYR 7 35.317 19.019 -0.428 48 HH TYR 7 HH TYR 7 37.566 18.896 -0.691 49 H CYS 8 H CYS 8 30.825 22.767 1.401 50 HA CYS 8 HA CYS 8 31.997 20.160 2.113 51 HB2 CYS 8 HB2 CYS 8 31.905 21.326 4.147 52 HB3 CYS 8 HB1 CYS 8 30.122 21.595 3.983 53 HA DPR 9 HA DPR 9 27.820 18.718 1.450 54 HB2 DPR 9 HB1 DPR 9 28.391 16.581 -0.256 55 HB3 DPR 9 HB2 DPR 9 28.561 16.491 1.505 56 HG2 DPR 9 HG1 DPR 9 30.676 16.912 -0.637 57 HG3 DPR 9 HG2 DPR 9 30.864 15.968 0.850 58 HD2 DPR 9 HD1 DPR 9 31.866 18.337 0.881 59 HD3 DPR 9 HD2 DPR 9 30.958 17.783 2.297 60 H DSG 10 H DAN 10 30.071 19.668 -1.228 61 HA DSG 10 HA DAN 10 27.837 19.630 -3.063 62 HB2 DSG 10 HB1 DAN 10 29.403 19.602 -4.757 63 HB3 DSG 10 HB2 DAN 10 29.846 18.303 -3.556 64 HD21 DSG 10 1HD2 DAN 10 31.149 20.432 -5.765 65 HD22 DSG 10 2HD2 DAN 10 32.573 20.870 -4.940 66 H LYS 11 H LYS 11 28.592 21.838 -0.893 67 HA LYS 11 HA LYS 11 28.894 24.138 -2.598 68 HB2 LYS 11 HB2 LYS 11 26.922 25.179 -1.532 69 HB3 LYS 11 HB1 LYS 11 26.584 23.792 -2.566 70 HG2 LYS 11 HG2 LYS 11 26.185 22.374 -0.801 71 HG3 LYS 11 HG1 LYS 11 26.696 23.469 0.441 72 HD2 LYS 11 HD2 LYS 11 24.597 24.937 -0.193 73 HD3 LYS 11 HD1 LYS 11 24.265 23.635 -1.323 74 HE2 LYS 11 HE2 LYS 11 22.968 23.027 0.445 75 HE3 LYS 11 HE1 LYS 11 24.329 21.974 0.549 76 HZ1 LYS 11 HZ1 LYS 11 23.644 23.183 2.649 77 HZ2 LYS 11 HZ2 LYS 11 24.313 24.480 2.055 78 HZ3 LYS 11 HZ3 LYS 11 25.218 23.016 2.379 79 H TYR 12 H TYR 12 29.166 26.134 -1.442 80 HA TYR 12 HA TYR 12 30.925 25.800 0.934 81 HB2 TYR 12 HB2 TYR 12 30.148 28.223 -0.671 82 HB3 TYR 12 HB1 TYR 12 30.977 28.385 0.934 83 HD1 TYR 12 HD1 TYR 12 31.590 26.199 -1.960 84 HD2 TYR 12 HD2 TYR 12 33.087 29.097 0.715 85 HE1 TYR 12 HE1 TYR 12 33.685 25.925 -3.055 86 HE2 TYR 12 HE2 TYR 12 35.359 28.692 -0.052 87 HH TYR 12 HH TYR 12 36.672 27.718 -1.622 88 H DVA 13 H DVA 13 30.481 25.659 2.766 89 HA DVA 13 HA DVA 13 28.055 26.862 3.897 90 HB DVA 13 HB DVA 13 28.971 27.391 5.885 91 HG11 DVA 13 1HG1 DVA 13 30.996 25.820 5.747 92 HG12 DVA 13 2HG1 DVA 13 31.261 27.424 6.462 93 HG13 DVA 13 3HG1 DVA 13 31.797 27.224 4.833 94 HG21 DVA 13 1HG2 DVA 13 30.439 29.354 5.168 95 HG22 DVA 13 2HG2 DVA 13 28.831 29.301 4.464 96 HG23 DVA 13 3HG2 DVA 13 30.353 28.793 3.582 97 HA DPR 14 HA DPR 14 27.446 22.668 5.429 98 HB2 DPR 14 HB1 DPR 14 27.364 23.918 8.167 99 HB3 DPR 14 HB2 DPR 14 26.201 22.795 7.581 100 HG2 DPR 14 HG1 DPR 14 25.540 25.479 7.558 101 HG3 DPR 14 HG2 DPR 14 25.181 24.473 6.128 102 HD2 DPR 14 HD1 DPR 14 27.351 26.439 6.589 103 HD3 DPR 14 HD2 DPR 14 26.444 26.027 5.146 Start of MODEL 9 1 H1 DCY 1 H1 DCY 1 28.100 21.715 6.252 2 HA DCY 1 HA DCY 1 30.695 21.691 7.158 3 HB2 DCY 1 HB1 DCY 1 29.114 20.034 5.880 4 HB3 DCY 1 HB2 DCY 1 29.005 19.216 7.285 5 H ASN 2 H ASN 2 31.535 21.956 8.893 6 HA ASN 2 HA ASN 2 30.176 21.656 11.401 7 HB2 ASN 2 HB2 ASN 2 33.127 20.949 11.210 8 HB3 ASN 2 HB1 ASN 2 32.285 20.829 12.601 9 HD21 ASN 2 1HD2 ASN 2 33.043 19.062 9.787 10 HD22 ASN 2 2HD2 ASN 2 31.876 17.707 9.967 11 H DVA 3 H DVA 3 31.022 23.988 9.546 12 HA DVA 3 HA DVA 3 32.655 25.566 11.452 13 HB DVA 3 HB DVA 3 31.406 27.531 10.956 14 HG11 DVA 3 1HG1 DVA 3 29.069 27.431 10.549 15 HG12 DVA 3 2HG1 DVA 3 29.152 25.695 10.130 16 HG13 DVA 3 3HG1 DVA 3 30.024 26.808 9.122 17 HG21 DVA 3 1HG2 DVA 3 29.801 25.309 12.416 18 HG22 DVA 3 2HG2 DVA 3 29.900 27.002 12.816 19 HG23 DVA 3 3HG2 DVA 3 31.260 26.001 13.166 20 HA DPR 4 HA DPR 4 34.331 24.837 7.030 21 HB2 DPR 4 HB1 DPR 4 36.723 25.690 8.550 22 HB3 DPR 4 HB2 DPR 4 36.637 24.375 7.396 23 HG2 DPR 4 HG1 DPR 4 36.819 23.862 9.973 24 HG3 DPR 4 HG2 DPR 4 35.589 22.947 8.969 25 HD2 DPR 4 HD1 DPR 4 35.192 25.262 10.818 26 HD3 DPR 4 HD2 DPR 4 34.108 23.881 10.578 27 H ASP 5 H ASP 5 35.338 26.077 5.531 28 HA ASP 5 HA ASP 5 35.761 28.929 6.070 29 HB2 ASP 5 HB2 ASP 5 37.169 27.214 4.119 30 HB3 ASP 5 HB1 ASP 5 37.521 28.930 4.322 31 H VAL 6 H VAL 6 35.028 26.637 3.442 32 HA VAL 6 HA VAL 6 33.360 28.770 2.211 33 HB VAL 6 HB VAL 6 34.330 28.395 -0.062 34 HG11 VAL 6 1HG1 VAL 6 34.896 30.325 1.449 35 HG12 VAL 6 2HG1 VAL 6 36.202 30.035 0.339 36 HG13 VAL 6 3HG1 VAL 6 36.364 29.447 1.963 37 HG21 VAL 6 1HG2 VAL 6 36.459 27.336 -0.304 38 HG22 VAL 6 2HG2 VAL 6 35.564 26.253 0.548 39 HG23 VAL 6 3HG2 VAL 6 36.720 27.315 1.497 40 H TYR 7 H TYR 7 34.331 25.335 1.989 41 HA TYR 7 HA TYR 7 31.475 24.713 1.709 42 HB2 TYR 7 HB2 TYR 7 32.007 23.158 -0.239 43 HB3 TYR 7 HB1 TYR 7 31.681 24.894 -0.490 44 HD1 TYR 7 HD1 TYR 7 33.405 26.212 -1.708 45 HD2 TYR 7 HD2 TYR 7 34.360 22.305 -0.222 46 HE1 TYR 7 HE1 TYR 7 35.336 26.184 -3.196 47 HE2 TYR 7 HE2 TYR 7 36.356 22.332 -1.649 48 HH TYR 7 HH TYR 7 37.581 23.445 -3.245 49 H CYS 8 H CYS 8 30.916 22.585 2.132 50 HA CYS 8 HA CYS 8 32.975 20.622 2.306 51 HB2 CYS 8 HB2 CYS 8 32.711 20.960 4.466 52 HB3 CYS 8 HB1 CYS 8 30.957 21.301 4.420 53 HA DPR 9 HA DPR 9 29.643 18.045 1.244 54 HB2 DPR 9 HB1 DPR 9 31.363 17.086 -1.037 55 HB3 DPR 9 HB2 DPR 9 30.571 16.062 0.184 56 HG2 DPR 9 HG1 DPR 9 33.184 16.473 0.504 57 HG3 DPR 9 HG2 DPR 9 32.074 16.606 1.926 58 HD2 DPR 9 HD1 DPR 9 33.178 18.927 0.194 59 HD3 DPR 9 HD2 DPR 9 33.236 18.682 1.911 60 H DSG 10 H DAN 10 31.093 19.900 -1.355 61 HA DSG 10 HA DAN 10 28.948 19.446 -3.321 62 HB2 DSG 10 HB1 DAN 10 30.427 20.877 -4.687 63 HB3 DSG 10 HB2 DAN 10 31.314 19.595 -3.938 64 HD21 DSG 10 1HD2 DAN 10 31.263 23.107 -4.185 65 HD22 DSG 10 2HD2 DAN 10 32.585 23.239 -3.115 66 H LYS 11 H LYS 11 28.972 21.357 -0.525 67 HA LYS 11 HA LYS 11 27.501 23.685 -1.729 68 HB2 LYS 11 HB2 LYS 11 25.794 23.536 -0.205 69 HB3 LYS 11 HB1 LYS 11 26.003 21.841 -0.746 70 HG2 LYS 11 HG2 LYS 11 27.121 21.493 1.415 71 HG3 LYS 11 HG1 LYS 11 27.120 23.122 1.781 72 HD2 LYS 11 HD2 LYS 11 24.700 23.062 2.077 73 HD3 LYS 11 HD1 LYS 11 24.569 21.391 1.412 74 HE2 LYS 11 HE2 LYS 11 25.980 22.316 3.982 75 HE3 LYS 11 HE1 LYS 11 24.401 21.709 3.900 76 HZ1 LYS 11 HZ1 LYS 11 25.587 19.773 4.176 77 HZ2 LYS 11 HZ2 LYS 11 26.945 20.302 3.375 78 HZ3 LYS 11 HZ3 LYS 11 25.687 19.782 2.517 79 H TYR 12 H TYR 12 27.440 25.527 -0.611 80 HA TYR 12 HA TYR 12 30.046 26.118 0.491 81 HB2 TYR 12 HB2 TYR 12 27.685 27.653 -0.491 82 HB3 TYR 12 HB1 TYR 12 28.496 28.408 0.813 83 HD1 TYR 12 HD1 TYR 12 29.617 26.433 -2.221 84 HD2 TYR 12 HD2 TYR 12 29.835 30.003 0.100 85 HE1 TYR 12 HE1 TYR 12 31.522 27.185 -3.570 86 HE2 TYR 12 HE2 TYR 12 31.630 30.921 -1.495 87 HH TYR 12 HH TYR 12 32.711 30.483 -3.540 88 H DVA 13 H DVA 13 30.489 26.626 2.600 89 HA DVA 13 HA DVA 13 28.551 27.419 4.358 90 HB DVA 13 HB DVA 13 30.271 27.559 6.006 91 HG11 DVA 13 1HG1 DVA 13 31.550 25.576 5.558 92 HG12 DVA 13 2HG1 DVA 13 32.474 27.049 5.644 93 HG13 DVA 13 3HG1 DVA 13 32.267 26.441 4.019 94 HG21 DVA 13 1HG2 DVA 13 29.928 29.262 4.588 95 HG22 DVA 13 2HG2 DVA 13 30.854 28.639 3.237 96 HG23 DVA 13 3HG2 DVA 13 31.676 29.267 4.736 97 HA DPR 14 HA DPR 14 26.941 23.707 6.180 98 HB2 DPR 14 HB1 DPR 14 27.388 25.051 8.884 99 HB3 DPR 14 HB2 DPR 14 25.974 24.188 8.303 100 HG2 DPR 14 HG1 DPR 14 26.046 26.804 8.287 101 HG3 DPR 14 HG2 DPR 14 25.384 26.135 6.831 102 HD2 DPR 14 HD1 DPR 14 28.267 27.156 7.290 103 HD3 DPR 14 HD2 DPR 14 27.198 27.312 5.844 Start of MODEL 10 1 H1 DCY 1 H1 DCY 1 28.710 21.241 7.012 2 HA DCY 1 HA DCY 1 31.653 21.461 7.528 3 HB2 DCY 1 HB1 DCY 1 29.936 18.984 7.638 4 HB3 DCY 1 HB2 DCY 1 31.463 19.007 8.075 5 H ASN 2 H ASN 2 32.500 21.526 9.473 6 HA ASN 2 HA ASN 2 30.777 21.330 11.829 7 HB2 ASN 2 HB2 ASN 2 33.673 20.823 11.583 8 HB3 ASN 2 HB1 ASN 2 32.753 20.712 13.083 9 HD21 ASN 2 1HD2 ASN 2 30.950 18.750 13.186 10 HD22 ASN 2 2HD2 ASN 2 30.933 17.718 11.861 11 H DVA 3 H DVA 3 31.337 23.829 10.143 12 HA DVA 3 HA DVA 3 32.407 25.657 12.161 13 HB DVA 3 HB DVA 3 31.541 27.343 10.767 14 HG11 DVA 3 1HG1 DVA 3 29.903 25.229 9.454 15 HG12 DVA 3 2HG1 DVA 3 31.330 25.887 8.632 16 HG13 DVA 3 3HG1 DVA 3 29.852 26.925 9.031 17 HG21 DVA 3 1HG2 DVA 3 29.311 27.133 11.465 18 HG22 DVA 3 2HG2 DVA 3 30.350 26.365 12.743 19 HG23 DVA 3 3HG2 DVA 3 29.578 25.297 11.759 20 HA DPR 4 HA DPR 4 36.033 26.369 9.662 21 HB2 DPR 4 HB1 DPR 4 35.359 29.299 9.371 22 HB3 DPR 4 HB2 DPR 4 36.943 28.507 9.843 23 HG2 DPR 4 HG1 DPR 4 35.461 29.529 11.705 24 HG3 DPR 4 HG2 DPR 4 36.332 28.001 11.992 25 HD2 DPR 4 HD1 DPR 4 33.361 28.434 11.503 26 HD3 DPR 4 HD2 DPR 4 34.216 27.326 12.462 27 H ASP 5 H ASP 5 36.786 26.373 7.660 28 HA ASP 5 HA ASP 5 36.765 25.910 5.535 29 HB2 ASP 5 HB2 ASP 5 35.194 24.350 6.979 30 HB3 ASP 5 HB1 ASP 5 34.036 24.808 5.714 31 H VAL 6 H VAL 6 35.456 25.616 3.466 32 HA VAL 6 HA VAL 6 33.595 27.803 2.957 33 HB VAL 6 HB VAL 6 34.562 27.796 0.521 34 HG11 VAL 6 1HG1 VAL 6 36.100 29.137 2.801 35 HG12 VAL 6 2HG1 VAL 6 34.683 29.778 2.055 36 HG13 VAL 6 3HG1 VAL 6 36.207 29.534 1.099 37 HG21 VAL 6 1HG2 VAL 6 37.026 27.527 0.403 38 HG22 VAL 6 2HG2 VAL 6 36.283 25.945 0.728 39 HG23 VAL 6 3HG2 VAL 6 36.943 26.854 2.052 40 H TYR 7 H TYR 7 34.217 24.488 2.432 41 HA TYR 7 HA TYR 7 31.715 24.245 0.878 42 HB2 TYR 7 HB2 TYR 7 34.561 23.528 0.059 43 HB3 TYR 7 HB1 TYR 7 33.426 22.372 -0.316 44 HD1 TYR 7 HD1 TYR 7 31.683 22.828 -2.008 45 HD2 TYR 7 HD2 TYR 7 34.673 25.709 -1.123 46 HE1 TYR 7 HE1 TYR 7 31.087 24.029 -4.124 47 HE2 TYR 7 HE2 TYR 7 34.279 26.809 -3.240 48 HH TYR 7 HH TYR 7 32.922 26.874 -5.178 49 H CYS 8 H CYS 8 30.542 22.620 1.258 50 HA CYS 8 HA CYS 8 31.560 20.211 2.440 51 HB2 CYS 8 HB2 CYS 8 30.780 21.669 4.354 52 HB3 CYS 8 HB1 CYS 8 29.227 21.542 3.709 53 HA DPR 9 HA DPR 9 27.706 18.884 0.816 54 HB2 DPR 9 HB1 DPR 9 29.094 16.433 -0.501 55 HB3 DPR 9 HB2 DPR 9 27.674 16.525 0.473 56 HG2 DPR 9 HG1 DPR 9 30.014 15.817 1.701 57 HG3 DPR 9 HG2 DPR 9 28.938 16.948 2.600 58 HD2 DPR 9 HD1 DPR 9 31.182 17.698 0.690 59 HD3 DPR 9 HD2 DPR 9 30.903 18.274 2.461 60 H DSG 10 H DAN 10 30.245 19.315 -1.116 61 HA DSG 10 HA DAN 10 28.723 19.329 -3.639 62 HB2 DSG 10 HB1 DAN 10 30.811 19.747 -4.695 63 HB3 DSG 10 HB2 DAN 10 30.924 18.372 -3.612 64 HD21 DSG 10 1HD2 DAN 10 33.266 20.460 -4.688 65 HD22 DSG 10 2HD2 DAN 10 33.849 20.973 -3.125 66 H LYS 11 H LYS 11 28.809 21.554 -1.293 67 HA LYS 11 HA LYS 11 28.866 23.901 -3.073 68 HB2 LYS 11 HB2 LYS 11 26.512 23.034 -1.439 69 HB3 LYS 11 HB1 LYS 11 26.650 24.646 -2.256 70 HG2 LYS 11 HG2 LYS 11 26.890 23.495 -4.439 71 HG3 LYS 11 HG1 LYS 11 26.736 21.981 -3.644 72 HD2 LYS 11 HD2 LYS 11 24.592 24.120 -3.890 73 HD3 LYS 11 HD1 LYS 11 24.735 22.628 -4.714 74 HE2 LYS 11 HE2 LYS 11 24.790 21.371 -2.281 75 HE3 LYS 11 HE1 LYS 11 24.051 22.789 -1.862 76 HZ1 LYS 11 HZ1 LYS 11 22.388 22.436 -3.754 77 HZ2 LYS 11 HZ2 LYS 11 22.314 21.204 -2.710 78 HZ3 LYS 11 HZ3 LYS 11 23.180 21.010 -4.026 79 H TYR 12 H TYR 12 28.097 25.933 -1.441 80 HA TYR 12 HA TYR 12 30.345 26.144 0.112 81 HB2 TYR 12 HB2 TYR 12 28.750 27.770 -1.417 82 HB3 TYR 12 HB1 TYR 12 28.504 28.325 0.246 83 HD1 TYR 12 HD1 TYR 12 31.282 27.354 -2.011 84 HD2 TYR 12 HD2 TYR 12 29.950 29.999 1.043 85 HE1 TYR 12 HE1 TYR 12 33.446 28.725 -2.238 86 HE2 TYR 12 HE2 TYR 12 32.026 31.199 0.958 87 HH TYR 12 HH TYR 12 34.188 31.445 -0.140 88 H DVA 13 H DVA 13 30.705 26.380 2.369 89 HA DVA 13 HA DVA 13 28.444 27.087 4.105 90 HB DVA 13 HB DVA 13 29.909 27.378 5.865 91 HG11 DVA 13 1HG1 DVA 13 31.487 25.705 5.838 92 HG12 DVA 13 2HG1 DVA 13 32.413 27.203 5.285 93 HG13 DVA 13 3HG1 DVA 13 31.845 25.983 4.052 94 HG21 DVA 13 1HG2 DVA 13 31.299 29.103 4.771 95 HG22 DVA 13 2HG2 DVA 13 29.653 29.024 4.063 96 HG23 DVA 13 3HG2 DVA 13 31.156 28.451 3.278 97 HA DPR 14 HA DPR 14 27.923 22.948 5.558 98 HB2 DPR 14 HB1 DPR 14 27.689 23.767 8.432 99 HB3 DPR 14 HB2 DPR 14 26.374 22.925 7.583 100 HG2 DPR 14 HG1 DPR 14 26.072 25.566 7.954 101 HG3 DPR 14 HG2 DPR 14 25.763 24.848 6.324 102 HD2 DPR 14 HD1 DPR 14 28.181 26.368 7.289 103 HD3 DPR 14 HD2 DPR 14 27.228 26.562 5.785 Start of MODEL 11 1 H1 DCY 1 H1 DCY 1 28.061 22.004 7.371 2 HA DCY 1 HA DCY 1 31.014 21.768 7.306 3 HB2 DCY 1 HB1 DCY 1 28.700 19.880 7.490 4 HB3 DCY 1 HB2 DCY 1 30.187 19.332 8.352 5 H ASN 2 H ASN 2 31.973 21.111 9.417 6 HA ASN 2 HA ASN 2 30.383 21.363 11.730 7 HB2 ASN 2 HB2 ASN 2 33.038 19.831 11.406 8 HB3 ASN 2 HB1 ASN 2 31.979 19.915 12.882 9 HD21 ASN 2 1HD2 ASN 2 32.664 18.076 10.137 10 HD22 ASN 2 2HD2 ASN 2 31.285 17.067 10.260 11 H DVA 3 H DVA 3 32.160 23.171 9.895 12 HA DVA 3 HA DVA 3 33.372 24.879 11.964 13 HB DVA 3 HB DVA 3 32.291 26.838 11.020 14 HG11 DVA 3 1HG1 DVA 3 30.204 26.666 9.752 15 HG12 DVA 3 2HG1 DVA 3 30.287 24.929 9.883 16 HG13 DVA 3 3HG1 DVA 3 31.469 25.827 8.814 17 HG21 DVA 3 1HG2 DVA 3 30.099 26.458 12.124 18 HG22 DVA 3 2HG2 DVA 3 31.470 26.054 13.082 19 HG23 DVA 3 3HG2 DVA 3 30.556 24.759 12.315 20 HA DPR 4 HA DPR 4 36.716 26.004 9.063 21 HB2 DPR 4 HB1 DPR 4 35.412 28.683 9.056 22 HB3 DPR 4 HB2 DPR 4 37.110 28.211 9.090 23 HG2 DPR 4 HG1 DPR 4 36.014 28.882 11.402 24 HG3 DPR 4 HG2 DPR 4 36.974 27.387 11.283 25 HD2 DPR 4 HD1 DPR 4 33.985 27.542 11.381 26 HD3 DPR 4 HD2 DPR 4 35.095 26.480 12.249 27 H ASP 5 H ASP 5 37.257 26.203 7.074 28 HA ASP 5 HA ASP 5 37.084 26.034 4.822 29 HB2 ASP 5 HB2 ASP 5 35.738 23.940 5.875 30 HB3 ASP 5 HB1 ASP 5 34.586 24.554 4.744 31 H VAL 6 H VAL 6 35.498 26.005 2.966 32 HA VAL 6 HA VAL 6 33.336 27.953 3.261 33 HB VAL 6 HB VAL 6 33.636 28.916 0.978 34 HG11 VAL 6 1HG1 VAL 6 35.869 29.645 2.754 35 HG12 VAL 6 2HG1 VAL 6 34.268 30.098 3.301 36 HG13 VAL 6 3HG1 VAL 6 34.873 30.604 1.707 37 HG21 VAL 6 1HG2 VAL 6 35.118 27.215 0.084 38 HG22 VAL 6 2HG2 VAL 6 36.370 27.695 1.253 39 HG23 VAL 6 3HG2 VAL 6 35.858 28.879 0.095 40 H TYR 7 H TYR 7 34.444 24.995 1.986 41 HA TYR 7 HA TYR 7 31.902 24.447 0.655 42 HB2 TYR 7 HB2 TYR 7 34.580 23.165 0.470 43 HB3 TYR 7 HB1 TYR 7 33.224 22.404 -0.231 44 HD1 TYR 7 HD1 TYR 7 31.902 23.764 -2.108 45 HD2 TYR 7 HD2 TYR 7 35.767 25.057 -0.671 46 HE1 TYR 7 HE1 TYR 7 32.210 25.131 -4.142 47 HE2 TYR 7 HE2 TYR 7 36.062 26.352 -2.631 48 HH TYR 7 HH TYR 7 35.047 27.313 -4.327 49 H CYS 8 H CYS 8 30.547 22.685 1.033 50 HA CYS 8 HA CYS 8 31.774 20.596 2.591 51 HB2 CYS 8 HB2 CYS 8 30.873 21.740 4.413 52 HB3 CYS 8 HB1 CYS 8 29.306 22.033 3.459 53 HA DPR 9 HA DPR 9 28.398 17.962 1.157 54 HB2 DPR 9 HB1 DPR 9 30.474 16.693 -0.402 55 HB3 DPR 9 HB2 DPR 9 29.246 15.952 0.786 56 HG2 DPR 9 HG1 DPR 9 31.867 16.083 1.379 57 HG3 DPR 9 HG2 DPR 9 30.523 16.167 2.565 58 HD2 DPR 9 HD1 DPR 9 32.267 18.358 1.484 59 HD3 DPR 9 HD2 DPR 9 31.526 18.274 3.062 60 H DSG 10 H DAN 10 30.970 19.348 -1.084 61 HA DSG 10 HA DAN 10 29.190 19.159 -3.438 62 HB2 DSG 10 HB1 DAN 10 30.983 19.880 -4.711 63 HB3 DSG 10 HB2 DAN 10 31.480 18.677 -3.514 64 HD21 DSG 10 1HD2 DAN 10 32.008 21.927 -4.585 65 HD22 DSG 10 2HD2 DAN 10 33.204 22.315 -3.387 66 H LYS 11 H LYS 11 29.260 21.580 -1.078 67 HA LYS 11 HA LYS 11 28.488 23.713 -2.960 68 HB2 LYS 11 HB2 LYS 11 26.380 24.002 -1.929 69 HB3 LYS 11 HB1 LYS 11 26.407 22.384 -2.437 70 HG2 LYS 11 HG2 LYS 11 26.683 21.386 -0.396 71 HG3 LYS 11 HG1 LYS 11 27.089 22.961 0.393 72 HD2 LYS 11 HD2 LYS 11 24.865 23.203 0.859 73 HD3 LYS 11 HD1 LYS 11 24.616 23.465 -0.851 74 HE2 LYS 11 HE2 LYS 11 23.197 21.857 -0.737 75 HE3 LYS 11 HE1 LYS 11 24.603 20.720 -0.947 76 HZ1 LYS 11 HZ1 LYS 11 24.507 20.579 1.552 77 HZ2 LYS 11 HZ2 LYS 11 22.984 20.302 0.964 78 HZ3 LYS 11 HZ3 LYS 11 23.296 21.712 1.515 79 H TYR 12 H TYR 12 27.753 25.668 -1.590 80 HA TYR 12 HA TYR 12 29.976 26.385 0.024 81 HB2 TYR 12 HB2 TYR 12 27.976 27.825 -1.390 82 HB3 TYR 12 HB1 TYR 12 27.834 28.199 0.327 83 HD1 TYR 12 HD1 TYR 12 30.420 27.482 -2.234 84 HD2 TYR 12 HD2 TYR 12 29.100 30.268 0.744 85 HE1 TYR 12 HE1 TYR 12 32.471 28.789 -2.523 86 HE2 TYR 12 HE2 TYR 12 31.232 31.576 0.592 87 HH TYR 12 HH TYR 12 32.905 32.006 -0.846 88 H DVA 13 H DVA 13 30.226 26.837 1.995 89 HA DVA 13 HA DVA 13 28.032 27.280 3.676 90 HB DVA 13 HB DVA 13 29.293 27.922 5.303 91 HG11 DVA 13 1HG1 DVA 13 31.894 27.727 5.096 92 HG12 DVA 13 2HG1 DVA 13 31.635 26.361 3.980 93 HG13 DVA 13 3HG1 DVA 13 31.063 26.198 5.631 94 HG21 DVA 13 1HG2 DVA 13 29.306 29.515 3.579 95 HG22 DVA 13 2HG2 DVA 13 30.808 28.843 3.022 96 HG23 DVA 13 3HG2 DVA 13 30.688 29.731 4.596 97 HA DPR 14 HA DPR 14 27.192 23.556 5.837 98 HB2 DPR 14 HB1 DPR 14 27.990 24.966 8.409 99 HB3 DPR 14 HB2 DPR 14 26.514 23.930 8.119 100 HG2 DPR 14 HG1 DPR 14 26.365 26.625 8.260 101 HG3 DPR 14 HG2 DPR 14 25.513 25.798 6.832 102 HD2 DPR 14 HD1 DPR 14 28.127 27.163 6.875 103 HD3 DPR 14 HD2 DPR 14 26.881 27.155 5.661 Start of MODEL 12 1 H1 DCY 1 H1 DCY 1 28.101 21.136 7.147 2 HA DCY 1 HA DCY 1 30.889 21.911 7.180 3 HB2 DCY 1 HB1 DCY 1 29.506 19.271 7.623 4 HB3 DCY 1 HB2 DCY 1 31.153 19.451 8.162 5 H ASN 2 H ASN 2 32.186 21.399 9.433 6 HA ASN 2 HA ASN 2 30.410 22.019 11.721 7 HB2 ASN 2 HB2 ASN 2 33.114 20.611 11.656 8 HB3 ASN 2 HB1 ASN 2 32.074 21.143 13.034 9 HD21 ASN 2 1HD2 ASN 2 29.405 20.223 12.360 10 HD22 ASN 2 2HD2 ASN 2 29.747 18.503 12.133 11 H DVA 3 H DVA 3 32.582 23.782 9.768 12 HA DVA 3 HA DVA 3 33.545 25.555 11.961 13 HB DVA 3 HB DVA 3 32.433 27.495 10.876 14 HG11 DVA 3 1HG1 DVA 3 30.879 27.473 9.438 15 HG12 DVA 3 2HG1 DVA 3 30.242 25.795 9.644 16 HG13 DVA 3 3HG1 DVA 3 31.763 26.236 8.760 17 HG21 DVA 3 1HG2 DVA 3 30.648 25.637 12.354 18 HG22 DVA 3 2HG2 DVA 3 30.419 27.357 11.849 19 HG23 DVA 3 3HG2 DVA 3 31.609 26.920 13.025 20 HA DPR 4 HA DPR 4 36.857 26.926 9.195 21 HB2 DPR 4 HB1 DPR 4 35.066 29.378 9.294 22 HB3 DPR 4 HB2 DPR 4 36.913 29.312 9.058 23 HG2 DPR 4 HG1 DPR 4 36.322 29.545 11.512 24 HG3 DPR 4 HG2 DPR 4 37.303 28.176 11.084 25 HD2 DPR 4 HD1 DPR 4 34.382 28.260 11.632 26 HD3 DPR 4 HD2 DPR 4 35.615 27.038 12.152 27 H ASP 5 H ASP 5 37.183 28.021 7.199 28 HA ASP 5 HA ASP 5 36.964 28.205 4.889 29 HB2 ASP 5 HB2 ASP 5 37.284 25.704 5.745 30 HB3 ASP 5 HB1 ASP 5 35.648 25.509 5.217 31 H VAL 6 H VAL 6 35.021 26.686 3.156 32 HA VAL 6 HA VAL 6 32.427 27.798 3.826 33 HB VAL 6 HB VAL 6 32.251 28.706 1.433 34 HG11 VAL 6 1HG1 VAL 6 32.942 30.896 1.957 35 HG12 VAL 6 2HG1 VAL 6 34.028 30.217 3.325 36 HG13 VAL 6 3HG1 VAL 6 32.297 30.006 3.345 37 HG21 VAL 6 1HG2 VAL 6 34.471 27.824 0.519 38 HG22 VAL 6 2HG2 VAL 6 35.230 29.140 1.471 39 HG23 VAL 6 3HG2 VAL 6 33.877 29.359 0.205 40 H TYR 7 H TYR 7 34.391 25.256 2.347 41 HA TYR 7 HA TYR 7 32.178 24.383 0.567 42 HB2 TYR 7 HB2 TYR 7 35.121 24.289 0.547 43 HB3 TYR 7 HB1 TYR 7 34.150 22.935 -0.097 44 HD1 TYR 7 HD1 TYR 7 32.541 26.087 -0.438 45 HD2 TYR 7 HD2 TYR 7 35.437 23.491 -2.149 46 HE1 TYR 7 HE1 TYR 7 32.567 27.511 -2.471 47 HE2 TYR 7 HE2 TYR 7 35.325 24.889 -4.317 48 HH TYR 7 HH TYR 7 34.489 26.699 -5.349 49 H CYS 8 H CYS 8 30.740 22.818 1.029 50 HA CYS 8 HA CYS 8 31.785 20.616 2.579 51 HB2 CYS 8 HB2 CYS 8 30.800 22.097 4.409 52 HB3 CYS 8 HB1 CYS 8 29.317 22.081 3.418 53 HA DPR 9 HA DPR 9 28.416 18.288 0.693 54 HB2 DPR 9 HB1 DPR 9 30.787 16.814 -0.403 55 HB3 DPR 9 HB2 DPR 9 29.193 16.182 0.260 56 HG2 DPR 9 HG1 DPR 9 31.491 16.137 1.786 57 HG3 DPR 9 HG2 DPR 9 29.886 16.730 2.375 58 HD2 DPR 9 HD1 DPR 9 32.200 18.251 1.023 59 HD3 DPR 9 HD2 DPR 9 31.649 18.580 2.648 60 H DSG 10 H DAN 10 30.947 19.727 -1.119 61 HA DSG 10 HA DAN 10 29.841 19.367 -3.734 62 HB2 DSG 10 HB1 DAN 10 31.297 21.166 -4.416 63 HB3 DSG 10 HB2 DAN 10 32.134 19.765 -3.649 64 HD21 DSG 10 1HD2 DAN 10 31.846 23.230 -3.673 65 HD22 DSG 10 2HD2 DAN 10 32.555 23.559 -2.119 66 H LYS 11 H LYS 11 29.422 21.803 -1.153 67 HA LYS 11 HA LYS 11 27.939 23.526 -2.860 68 HB2 LYS 11 HB2 LYS 11 26.918 22.478 -0.214 69 HB3 LYS 11 HB1 LYS 11 26.121 23.725 -1.098 70 HG2 LYS 11 HG2 LYS 11 25.951 22.057 -3.166 71 HG3 LYS 11 HG1 LYS 11 26.444 20.891 -1.966 72 HD2 LYS 11 HD2 LYS 11 24.498 21.646 -0.560 73 HD3 LYS 11 HD1 LYS 11 23.767 22.584 -1.810 74 HE2 LYS 11 HE2 LYS 11 23.147 20.787 -3.044 75 HE3 LYS 11 HE1 LYS 11 24.682 19.906 -2.731 76 HZ1 LYS 11 HZ1 LYS 11 22.342 20.176 -0.894 77 HZ2 LYS 11 HZ2 LYS 11 23.687 19.313 -0.510 78 HZ3 LYS 11 HZ3 LYS 11 22.840 18.852 -1.702 79 H TYR 12 H TYR 12 27.522 25.505 -1.570 80 HA TYR 12 HA TYR 12 29.624 26.429 0.203 81 HB2 TYR 12 HB2 TYR 12 27.084 27.668 -0.913 82 HB3 TYR 12 HB1 TYR 12 27.893 28.156 0.567 83 HD1 TYR 12 HD1 TYR 12 29.226 27.275 -2.837 84 HD2 TYR 12 HD2 TYR 12 28.971 30.032 0.416 85 HE1 TYR 12 HE1 TYR 12 31.084 28.737 -3.817 86 HE2 TYR 12 HE2 TYR 12 30.904 31.291 -0.409 87 HH TYR 12 HH TYR 12 32.642 31.334 -2.194 88 H DVA 13 H DVA 13 29.340 27.025 2.414 89 HA DVA 13 HA DVA 13 26.938 26.406 3.731 90 HB DVA 13 HB DVA 13 28.032 27.367 5.770 91 HG11 DVA 13 1HG1 DVA 13 30.042 26.798 6.233 92 HG12 DVA 13 2HG1 DVA 13 30.512 28.298 5.334 93 HG13 DVA 13 3HG1 DVA 13 30.642 26.620 4.650 94 HG21 DVA 13 1HG2 DVA 13 27.432 28.768 3.717 95 HG22 DVA 13 2HG2 DVA 13 29.100 28.978 3.341 96 HG23 DVA 13 3HG2 DVA 13 28.539 29.564 4.925 97 HA DPR 14 HA DPR 14 27.583 22.421 5.195 98 HB2 DPR 14 HB1 DPR 14 25.867 22.104 7.378 99 HB3 DPR 14 HB2 DPR 14 25.350 22.408 5.638 100 HG2 DPR 14 HG1 DPR 14 25.774 24.361 7.879 101 HG3 DPR 14 HG2 DPR 14 24.356 24.211 6.733 102 HD2 DPR 14 HD1 DPR 14 26.434 26.088 6.312 103 HD3 DPR 14 HD2 DPR 14 25.408 25.416 5.053 Start of MODEL 13 1 H1 DCY 1 H1 DCY 1 28.060 21.737 6.903 2 HA DCY 1 HA DCY 1 30.967 21.422 7.372 3 HB2 DCY 1 HB1 DCY 1 28.811 19.349 7.244 4 HB3 DCY 1 HB2 DCY 1 30.037 19.106 8.380 5 H ASN 2 H ASN 2 31.932 20.653 9.349 6 HA ASN 2 HA ASN 2 30.414 21.375 11.719 7 HB2 ASN 2 HB2 ASN 2 33.092 19.927 11.255 8 HB3 ASN 2 HB1 ASN 2 32.225 20.094 12.824 9 HD21 ASN 2 1HD2 ASN 2 32.480 18.135 10.117 10 HD22 ASN 2 2HD2 ASN 2 30.965 17.257 10.370 11 H DVA 3 H DVA 3 32.063 23.304 9.846 12 HA DVA 3 HA DVA 3 32.906 25.161 11.970 13 HB DVA 3 HB DVA 3 31.708 26.917 10.917 14 HG11 DVA 3 1HG1 DVA 3 29.977 24.794 9.549 15 HG12 DVA 3 2HG1 DVA 3 31.065 25.900 8.711 16 HG13 DVA 3 3HG1 DVA 3 29.728 26.583 9.597 17 HG21 DVA 3 1HG2 DVA 3 29.644 26.556 11.985 18 HG22 DVA 3 2HG2 DVA 3 30.922 25.889 12.919 19 HG23 DVA 3 3HG2 DVA 3 29.997 24.739 12.047 20 HA DPR 4 HA DPR 4 36.233 25.844 9.177 21 HB2 DPR 4 HB1 DPR 4 35.805 28.748 8.821 22 HB3 DPR 4 HB2 DPR 4 37.163 27.972 9.703 23 HG2 DPR 4 HG1 DPR 4 35.274 29.306 11.295 24 HG3 DPR 4 HG2 DPR 4 36.046 27.795 11.698 25 HD2 DPR 4 HD1 DPR 4 33.443 28.237 10.298 26 HD3 DPR 4 HD2 DPR 4 33.830 27.295 11.822 27 H ASP 5 H ASP 5 37.107 27.120 7.239 28 HA ASP 5 HA ASP 5 37.287 26.770 5.104 29 HB2 ASP 5 HB2 ASP 5 36.489 24.545 6.261 30 HB3 ASP 5 HB1 ASP 5 35.001 24.753 5.259 31 H VAL 6 H VAL 6 35.644 25.905 3.026 32 HA VAL 6 HA VAL 6 33.706 28.152 2.918 33 HB VAL 6 HB VAL 6 34.307 28.436 0.469 34 HG11 VAL 6 1HG1 VAL 6 34.639 30.077 2.155 35 HG12 VAL 6 2HG1 VAL 6 36.062 30.042 1.060 36 HG13 VAL 6 3HG1 VAL 6 36.175 29.420 2.731 37 HG21 VAL 6 1HG2 VAL 6 36.556 28.051 -0.256 38 HG22 VAL 6 2HG2 VAL 6 36.127 26.483 0.482 39 HG23 VAL 6 3HG2 VAL 6 37.101 27.617 1.399 40 H TYR 7 H TYR 7 34.478 24.760 2.266 41 HA TYR 7 HA TYR 7 31.803 24.439 0.968 42 HB2 TYR 7 HB2 TYR 7 34.595 23.289 0.302 43 HB3 TYR 7 HB1 TYR 7 33.045 22.394 -0.050 44 HD1 TYR 7 HD1 TYR 7 31.555 23.050 -1.795 45 HD2 TYR 7 HD2 TYR 7 35.181 25.103 -1.006 46 HE1 TYR 7 HE1 TYR 7 31.228 24.335 -3.832 47 HE2 TYR 7 HE2 TYR 7 34.961 26.410 -3.198 48 HH TYR 7 HH TYR 7 33.588 26.889 -4.865 49 H CYS 8 H CYS 8 30.712 22.677 1.409 50 HA CYS 8 HA CYS 8 31.964 20.387 2.706 51 HB2 CYS 8 HB2 CYS 8 31.039 21.454 4.663 52 HB3 CYS 8 HB1 CYS 8 29.431 21.661 3.770 53 HA DPR 9 HA DPR 9 28.771 17.968 1.313 54 HB2 DPR 9 HB1 DPR 9 30.885 16.972 -0.668 55 HB3 DPR 9 HB2 DPR 9 29.529 16.059 0.225 56 HG2 DPR 9 HG1 DPR 9 31.860 16.110 1.212 57 HG3 DPR 9 HG2 DPR 9 30.583 16.663 2.375 58 HD2 DPR 9 HD1 DPR 9 32.496 18.492 0.862 59 HD3 DPR 9 HD2 DPR 9 32.033 18.371 2.512 60 H DSG 10 H DAN 10 30.659 19.121 -1.507 61 HA DSG 10 HA DAN 10 28.518 19.109 -3.258 62 HB2 DSG 10 HB1 DAN 10 30.144 19.792 -4.937 63 HB3 DSG 10 HB2 DAN 10 30.651 18.371 -3.990 64 HD21 DSG 10 1HD2 DAN 10 31.645 21.375 -5.060 65 HD22 DSG 10 2HD2 DAN 10 33.014 21.610 -3.915 66 H LYS 11 H LYS 11 28.966 21.454 -1.060 67 HA LYS 11 HA LYS 11 28.374 23.789 -2.742 68 HB2 LYS 11 HB2 LYS 11 26.582 22.598 -0.546 69 HB3 LYS 11 HB1 LYS 11 26.233 24.137 -1.311 70 HG2 LYS 11 HG2 LYS 11 25.801 22.839 -3.539 71 HG3 LYS 11 HG1 LYS 11 26.187 21.396 -2.596 72 HD2 LYS 11 HD2 LYS 11 24.451 21.846 -1.135 73 HD3 LYS 11 HD1 LYS 11 24.097 23.431 -1.891 74 HE2 LYS 11 HE2 LYS 11 23.393 22.280 -3.959 75 HE3 LYS 11 HE1 LYS 11 24.005 20.761 -3.308 76 HZ1 LYS 11 HZ1 LYS 11 21.724 22.423 -2.193 77 HZ2 LYS 11 HZ2 LYS 11 22.234 21.066 -1.531 78 HZ3 LYS 11 HZ3 LYS 11 21.544 21.023 -3.025 79 H TYR 12 H TYR 12 27.680 25.695 -1.274 80 HA TYR 12 HA TYR 12 30.159 26.136 0.190 81 HB2 TYR 12 HB2 TYR 12 28.482 27.677 -1.459 82 HB3 TYR 12 HB1 TYR 12 28.398 28.462 -0.033 83 HD1 TYR 12 HD1 TYR 12 30.542 27.344 -2.731 84 HD2 TYR 12 HD2 TYR 12 30.162 29.766 0.710 85 HE1 TYR 12 HE1 TYR 12 32.393 28.741 -3.536 86 HE2 TYR 12 HE2 TYR 12 32.102 31.272 -0.127 87 HH TYR 12 HH TYR 12 33.780 31.511 -1.780 88 H DVA 13 H DVA 13 30.474 26.806 2.195 89 HA DVA 13 HA DVA 13 28.337 27.415 3.941 90 HB DVA 13 HB DVA 13 29.939 27.850 5.579 91 HG11 DVA 13 1HG1 DVA 13 31.860 26.207 3.961 92 HG12 DVA 13 2HG1 DVA 13 31.479 25.974 5.629 93 HG13 DVA 13 3HG1 DVA 13 32.531 27.355 5.063 94 HG21 DVA 13 1HG2 DVA 13 30.065 29.546 3.713 95 HG22 DVA 13 2HG2 DVA 13 31.367 28.530 2.972 96 HG23 DVA 13 3HG2 DVA 13 31.638 29.325 4.464 97 HA DPR 14 HA DPR 14 27.541 23.355 5.520 98 HB2 DPR 14 HB1 DPR 14 27.591 24.156 8.342 99 HB3 DPR 14 HB2 DPR 14 26.244 23.577 7.361 100 HG2 DPR 14 HG1 DPR 14 26.632 26.316 8.161 101 HG3 DPR 14 HG2 DPR 14 25.655 25.778 6.786 102 HD2 DPR 14 HD1 DPR 14 28.385 26.953 6.898 103 HD3 DPR 14 HD2 DPR 14 27.113 26.985 5.522 Start of MODEL 14 1 H1 DCY 1 H1 DCY 1 27.967 21.439 7.074 2 HA DCY 1 HA DCY 1 30.961 21.451 7.426 3 HB2 DCY 1 HB1 DCY 1 28.850 19.229 7.654 4 HB3 DCY 1 HB2 DCY 1 30.591 19.104 8.007 5 H ASN 2 H ASN 2 31.960 20.871 9.423 6 HA ASN 2 HA ASN 2 30.280 21.822 11.551 7 HB2 ASN 2 HB2 ASN 2 32.706 20.096 11.978 8 HB3 ASN 2 HB1 ASN 2 31.486 20.465 13.197 9 HD21 ASN 2 1HD2 ASN 2 29.476 19.125 13.325 10 HD22 ASN 2 2HD2 ASN 2 29.415 17.787 12.282 11 H DVA 3 H DVA 3 32.256 23.133 9.691 12 HA DVA 3 HA DVA 3 33.345 24.865 11.811 13 HB DVA 3 HB DVA 3 32.049 26.811 10.976 14 HG11 DVA 3 1HG1 DVA 3 31.694 26.037 8.661 15 HG12 DVA 3 2HG1 DVA 3 30.215 26.494 9.469 16 HG13 DVA 3 3HG1 DVA 3 30.524 24.826 9.132 17 HG21 DVA 3 1HG2 DVA 3 30.006 24.707 11.559 18 HG22 DVA 3 2HG2 DVA 3 30.079 26.383 12.093 19 HG23 DVA 3 3HG2 DVA 3 31.115 25.233 12.865 20 HA DPR 4 HA DPR 4 36.522 26.065 9.216 21 HB2 DPR 4 HB1 DPR 4 35.745 29.040 9.319 22 HB3 DPR 4 HB2 DPR 4 37.348 28.299 9.591 23 HG2 DPR 4 HG1 DPR 4 35.932 29.066 11.788 24 HG3 DPR 4 HG2 DPR 4 36.660 27.501 11.793 25 HD2 DPR 4 HD1 DPR 4 33.779 27.933 11.175 26 HD3 DPR 4 HD2 DPR 4 34.461 26.806 12.182 27 H ASP 5 H ASP 5 37.156 26.229 7.321 28 HA ASP 5 HA ASP 5 37.129 26.062 5.103 29 HB2 ASP 5 HB2 ASP 5 35.572 24.166 6.285 30 HB3 ASP 5 HB1 ASP 5 34.574 24.782 4.997 31 H VAL 6 H VAL 6 34.950 25.699 3.392 32 HA VAL 6 HA VAL 6 33.559 28.083 3.011 33 HB VAL 6 HB VAL 6 34.134 28.376 0.628 34 HG11 VAL 6 1HG1 VAL 6 34.560 30.001 2.499 35 HG12 VAL 6 2HG1 VAL 6 35.865 30.155 1.253 36 HG13 VAL 6 3HG1 VAL 6 36.246 29.276 2.670 37 HG21 VAL 6 1HG2 VAL 6 35.640 26.691 0.170 38 HG22 VAL 6 2HG2 VAL 6 36.738 27.184 1.619 39 HG23 VAL 6 3HG2 VAL 6 36.623 28.177 0.219 40 H TYR 7 H TYR 7 34.283 24.786 1.938 41 HA TYR 7 HA TYR 7 31.484 24.650 0.976 42 HB2 TYR 7 HB2 TYR 7 33.740 22.895 0.219 43 HB3 TYR 7 HB1 TYR 7 32.131 22.737 -0.456 44 HD1 TYR 7 HD1 TYR 7 31.348 24.402 -2.117 45 HD2 TYR 7 HD2 TYR 7 35.410 24.418 -0.596 46 HE1 TYR 7 HE1 TYR 7 32.277 25.751 -4.121 47 HE2 TYR 7 HE2 TYR 7 36.096 25.906 -2.427 48 HH TYR 7 HH TYR 7 35.524 26.833 -4.388 49 H CYS 8 H CYS 8 30.448 22.745 1.311 50 HA CYS 8 HA CYS 8 31.542 20.478 2.925 51 HB2 CYS 8 HB2 CYS 8 30.330 21.877 4.540 52 HB3 CYS 8 HB1 CYS 8 28.914 21.901 3.411 53 HA DPR 9 HA DPR 9 28.418 18.025 1.029 54 HB2 DPR 9 HB1 DPR 9 30.914 16.541 -0.015 55 HB3 DPR 9 HB2 DPR 9 29.236 15.889 0.422 56 HG2 DPR 9 HG1 DPR 9 31.315 16.007 2.272 57 HG3 DPR 9 HG2 DPR 9 29.614 16.451 2.579 58 HD2 DPR 9 HD1 DPR 9 32.081 18.208 1.570 59 HD3 DPR 9 HD2 DPR 9 31.196 18.374 3.110 60 H DSG 10 H DAN 10 31.025 19.310 -1.085 61 HA DSG 10 HA DAN 10 29.188 19.301 -3.297 62 HB2 DSG 10 HB1 DAN 10 31.133 20.200 -4.583 63 HB3 DSG 10 HB2 DAN 10 31.431 18.749 -3.782 64 HD21 DSG 10 1HD2 DAN 10 33.415 20.467 -4.911 65 HD22 DSG 10 2HD2 DAN 10 34.473 20.740 -3.480 66 H LYS 11 H LYS 11 28.771 21.486 -0.812 67 HA LYS 11 HA LYS 11 28.214 23.722 -2.636 68 HB2 LYS 11 HB2 LYS 11 26.554 21.786 -1.216 69 HB3 LYS 11 HB1 LYS 11 26.207 23.403 -0.555 70 HG2 LYS 11 HG2 LYS 11 24.662 22.711 -2.350 71 HG3 LYS 11 HG1 LYS 11 25.568 24.077 -2.813 72 HD2 LYS 11 HD2 LYS 11 26.797 21.548 -3.578 73 HD3 LYS 11 HD1 LYS 11 25.114 21.796 -4.269 74 HE2 LYS 11 HE2 LYS 11 25.725 23.909 -5.043 75 HE3 LYS 11 HE1 LYS 11 27.411 23.643 -4.487 76 HZ1 LYS 11 HZ1 LYS 11 27.301 23.217 -6.827 77 HZ2 LYS 11 HZ2 LYS 11 26.027 22.172 -6.692 78 HZ3 LYS 11 HZ3 LYS 11 27.522 21.834 -6.061 79 H TYR 12 H TYR 12 28.104 25.729 -1.620 80 HA TYR 12 HA TYR 12 30.207 26.303 -0.090 81 HB2 TYR 12 HB2 TYR 12 28.309 27.611 -1.462 82 HB3 TYR 12 HB1 TYR 12 28.031 28.314 0.176 83 HD1 TYR 12 HD1 TYR 12 30.614 27.614 -2.468 84 HD2 TYR 12 HD2 TYR 12 29.511 30.061 0.915 85 HE1 TYR 12 HE1 TYR 12 32.660 28.981 -2.721 86 HE2 TYR 12 HE2 TYR 12 31.505 31.515 0.518 87 HH TYR 12 HH TYR 12 33.570 31.564 -0.619 88 H DVA 13 H DVA 13 30.692 26.613 2.148 89 HA DVA 13 HA DVA 13 28.410 27.230 3.872 90 HB DVA 13 HB DVA 13 29.858 27.691 5.695 91 HG11 DVA 13 1HG1 DVA 13 31.169 25.686 5.647 92 HG12 DVA 13 2HG1 DVA 13 32.297 26.983 5.689 93 HG13 DVA 13 3HG1 DVA 13 32.010 26.122 4.165 94 HG21 DVA 13 1HG2 DVA 13 31.400 28.608 3.235 95 HG22 DVA 13 2HG2 DVA 13 31.320 29.365 4.742 96 HG23 DVA 13 3HG2 DVA 13 29.815 29.264 3.804 97 HA DPR 14 HA DPR 14 27.716 23.173 5.268 98 HB2 DPR 14 HB1 DPR 14 26.831 23.529 7.820 99 HB3 DPR 14 HB2 DPR 14 25.775 23.523 6.413 100 HG2 DPR 14 HG1 DPR 14 26.501 25.770 7.986 101 HG3 DPR 14 HG2 DPR 14 25.474 25.709 6.453 102 HD2 DPR 14 HD1 DPR 14 28.319 26.368 7.046 103 HD3 DPR 14 HD2 DPR 14 27.348 27.119 5.683 Start of MODEL 15 1 H1 DCY 1 H1 DCY 1 28.489 21.448 6.332 2 HA DCY 1 HA DCY 1 31.004 21.034 7.253 3 HB2 DCY 1 HB1 DCY 1 28.569 19.382 7.441 4 HB3 DCY 1 HB2 DCY 1 29.991 18.914 8.362 5 H ASN 2 H ASN 2 32.164 20.889 9.365 6 HA ASN 2 HA ASN 2 30.749 21.212 11.831 7 HB2 ASN 2 HB2 ASN 2 33.670 21.180 11.105 8 HB3 ASN 2 HB1 ASN 2 32.968 21.235 12.728 9 HD21 ASN 2 1HD2 ASN 2 30.986 19.541 12.988 10 HD22 ASN 2 2HD2 ASN 2 31.323 17.958 12.418 11 H DVA 3 H DVA 3 31.794 23.656 9.533 12 HA DVA 3 HA DVA 3 32.664 25.438 11.605 13 HB DVA 3 HB DVA 3 31.470 27.334 10.875 14 HG11 DVA 3 1HG1 DVA 3 31.658 27.004 8.517 15 HG12 DVA 3 2HG1 DVA 3 30.091 27.623 9.041 16 HG13 DVA 3 3HG1 DVA 3 30.328 25.888 8.510 17 HG21 DVA 3 1HG2 DVA 3 29.330 26.940 11.496 18 HG22 DVA 3 2HG2 DVA 3 29.976 25.448 12.136 19 HG23 DVA 3 3HG2 DVA 3 29.209 25.417 10.548 20 HA DPR 4 HA DPR 4 36.183 26.368 9.536 21 HB2 DPR 4 HB1 DPR 4 35.576 29.205 8.946 22 HB3 DPR 4 HB2 DPR 4 37.029 28.473 9.621 23 HG2 DPR 4 HG1 DPR 4 35.032 29.584 11.243 24 HG3 DPR 4 HG2 DPR 4 36.078 28.233 11.782 25 HD2 DPR 4 HD1 DPR 4 33.232 28.291 10.829 26 HD3 DPR 4 HD2 DPR 4 34.054 27.237 12.021 27 H ASP 5 H ASP 5 37.265 26.444 7.579 28 HA ASP 5 HA ASP 5 37.489 26.026 5.435 29 HB2 ASP 5 HB2 ASP 5 35.872 24.270 6.737 30 HB3 ASP 5 HB1 ASP 5 34.771 24.751 5.521 31 H VAL 6 H VAL 6 35.581 25.433 3.424 32 HA VAL 6 HA VAL 6 34.194 27.873 2.910 33 HB VAL 6 HB VAL 6 34.990 27.487 0.351 34 HG11 VAL 6 1HG1 VAL 6 36.605 28.983 2.351 35 HG12 VAL 6 2HG1 VAL 6 35.111 29.562 1.559 36 HG13 VAL 6 3HG1 VAL 6 36.526 29.290 0.556 37 HG21 VAL 6 1HG2 VAL 6 36.405 25.565 0.996 38 HG22 VAL 6 2HG2 VAL 6 37.602 26.732 1.732 39 HG23 VAL 6 3HG2 VAL 6 37.066 26.712 0.024 40 H TYR 7 H TYR 7 34.597 24.417 2.189 41 HA TYR 7 HA TYR 7 31.712 24.379 1.424 42 HB2 TYR 7 HB2 TYR 7 32.294 23.254 -0.834 43 HB3 TYR 7 HB1 TYR 7 32.459 25.040 -0.553 44 HD1 TYR 7 HD1 TYR 7 34.252 26.109 -1.378 45 HD2 TYR 7 HD2 TYR 7 34.486 21.883 -0.651 46 HE1 TYR 7 HE1 TYR 7 36.442 26.050 -2.556 47 HE2 TYR 7 HE2 TYR 7 36.769 21.848 -1.599 48 HH TYR 7 HH TYR 7 38.273 23.132 -2.912 49 H CYS 8 H CYS 8 30.650 22.272 1.138 50 HA CYS 8 HA CYS 8 32.075 19.973 2.034 51 HB2 CYS 8 HB2 CYS 8 31.775 20.561 4.292 52 HB3 CYS 8 HB1 CYS 8 30.458 21.587 3.923 53 HA DPR 9 HA DPR 9 28.172 18.339 0.950 54 HB2 DPR 9 HB1 DPR 9 28.939 16.260 -0.837 55 HB3 DPR 9 HB2 DPR 9 28.700 16.162 0.947 56 HG2 DPR 9 HG1 DPR 9 31.193 16.443 -0.698 57 HG3 DPR 9 HG2 DPR 9 31.073 15.551 0.759 58 HD2 DPR 9 HD1 DPR 9 32.142 18.125 0.725 59 HD3 DPR 9 HD2 DPR 9 31.231 17.534 2.135 60 H DSG 10 H DAN 10 30.625 19.375 -1.402 61 HA DSG 10 HA DAN 10 28.909 19.726 -3.597 62 HB2 DSG 10 HB1 DAN 10 30.936 20.708 -4.550 63 HB3 DSG 10 HB2 DAN 10 31.419 19.253 -3.792 64 HD21 DSG 10 1HD2 DAN 10 32.485 22.322 -4.143 65 HD22 DSG 10 2HD2 DAN 10 33.384 22.421 -2.603 66 H LYS 11 H LYS 11 28.695 21.384 -0.911 67 HA LYS 11 HA LYS 11 27.917 23.854 -2.356 68 HB2 LYS 11 HB2 LYS 11 26.463 22.450 -0.068 69 HB3 LYS 11 HB1 LYS 11 26.167 24.044 -0.662 70 HG2 LYS 11 HG2 LYS 11 25.331 23.167 -2.712 71 HG3 LYS 11 HG1 LYS 11 25.692 21.495 -2.222 72 HD2 LYS 11 HD2 LYS 11 24.134 21.513 -0.413 73 HD3 LYS 11 HD1 LYS 11 23.746 23.223 -0.653 74 HE2 LYS 11 HE2 LYS 11 22.671 22.686 -2.745 75 HE3 LYS 11 HE1 LYS 11 23.009 21.056 -2.706 76 HZ1 LYS 11 HZ1 LYS 11 20.842 21.565 -1.845 77 HZ2 LYS 11 HZ2 LYS 11 21.459 22.464 -0.626 78 HZ3 LYS 11 HZ3 LYS 11 21.773 20.856 -0.669 79 H TYR 12 H TYR 12 27.724 25.691 -0.949 80 HA TYR 12 HA TYR 12 30.288 25.941 0.452 81 HB2 TYR 12 HB2 TYR 12 28.742 27.673 -1.291 82 HB3 TYR 12 HB1 TYR 12 29.237 28.409 0.140 83 HD1 TYR 12 HD1 TYR 12 30.330 26.613 -2.843 84 HD2 TYR 12 HD2 TYR 12 31.583 29.006 0.433 85 HE1 TYR 12 HE1 TYR 12 32.441 27.012 -4.099 86 HE2 TYR 12 HE2 TYR 12 33.711 29.642 -0.977 87 HH TYR 12 HH TYR 12 35.004 29.000 -2.747 88 H DVA 13 H DVA 13 30.613 26.651 2.469 89 HA DVA 13 HA DVA 13 28.364 27.170 4.357 90 HB DVA 13 HB DVA 13 30.066 27.524 5.861 91 HG11 DVA 13 1HG1 DVA 13 32.421 27.791 4.460 92 HG12 DVA 13 2HG1 DVA 13 32.063 26.068 4.284 93 HG13 DVA 13 3HG1 DVA 13 32.029 26.782 5.851 94 HG21 DVA 13 1HG2 DVA 13 29.146 29.341 4.554 95 HG22 DVA 13 2HG2 DVA 13 30.637 29.119 3.539 96 HG23 DVA 13 3HG2 DVA 13 30.727 29.628 5.224 97 HA DPR 14 HA DPR 14 27.526 23.065 5.773 98 HB2 DPR 14 HB1 DPR 14 27.386 23.519 8.345 99 HB3 DPR 14 HB2 DPR 14 26.141 24.008 7.074 100 HG2 DPR 14 HG1 DPR 14 28.084 25.720 8.586 101 HG3 DPR 14 HG2 DPR 14 26.330 26.022 8.229 102 HD2 DPR 14 HD1 DPR 14 28.130 27.052 6.523 103 HD3 DPR 14 HD2 DPR 14 26.610 26.304 5.991 Start of MODEL 16 1 H1 DCY 1 H1 DCY 1 28.340 21.135 7.201 2 HA DCY 1 HA DCY 1 31.186 21.369 7.439 3 HB2 DCY 1 HB1 DCY 1 29.168 19.110 7.805 4 HB3 DCY 1 HB2 DCY 1 30.776 19.108 8.457 5 H ASN 2 H ASN 2 32.266 21.434 9.392 6 HA ASN 2 HA ASN 2 30.647 21.818 11.766 7 HB2 ASN 2 HB2 ASN 2 33.258 20.443 11.538 8 HB3 ASN 2 HB1 ASN 2 32.478 20.941 13.115 9 HD21 ASN 2 1HD2 ASN 2 30.138 20.081 13.463 10 HD22 ASN 2 2HD2 ASN 2 29.994 18.396 12.954 11 H DVA 3 H DVA 3 31.436 23.895 10.037 12 HA DVA 3 HA DVA 3 32.790 25.752 11.777 13 HB DVA 3 HB DVA 3 31.488 27.485 10.709 14 HG11 DVA 3 1HG1 DVA 3 29.991 27.137 8.977 15 HG12 DVA 3 2HG1 DVA 3 29.934 25.392 9.194 16 HG13 DVA 3 3HG1 DVA 3 31.427 26.210 8.478 17 HG21 DVA 3 1HG2 DVA 3 30.702 25.849 12.547 18 HG22 DVA 3 2HG2 DVA 3 29.505 25.267 11.314 19 HG23 DVA 3 3HG2 DVA 3 29.541 26.981 11.658 20 HA DPR 4 HA DPR 4 36.307 26.411 9.381 21 HB2 DPR 4 HB1 DPR 4 35.326 29.298 8.893 22 HB3 DPR 4 HB2 DPR 4 36.977 28.817 9.245 23 HG2 DPR 4 HG1 DPR 4 35.283 29.804 11.235 24 HG3 DPR 4 HG2 DPR 4 36.219 28.397 11.689 25 HD2 DPR 4 HD1 DPR 4 33.410 28.607 10.644 26 HD3 DPR 4 HD2 DPR 4 34.155 27.676 11.993 27 H ASP 5 H ASP 5 37.194 26.517 7.537 28 HA ASP 5 HA ASP 5 37.389 26.112 5.311 29 HB2 ASP 5 HB2 ASP 5 36.260 24.067 6.557 30 HB3 ASP 5 HB1 ASP 5 34.956 24.528 5.384 31 H VAL 6 H VAL 6 35.619 25.492 3.185 32 HA VAL 6 HA VAL 6 33.663 27.620 3.058 33 HB VAL 6 HB VAL 6 35.223 27.231 0.558 34 HG11 VAL 6 1HG1 VAL 6 33.948 29.405 2.198 35 HG12 VAL 6 2HG1 VAL 6 33.440 28.634 0.648 36 HG13 VAL 6 3HG1 VAL 6 34.926 29.715 0.714 37 HG21 VAL 6 1HG2 VAL 6 37.040 27.441 2.346 38 HG22 VAL 6 2HG2 VAL 6 36.341 28.987 2.773 39 HG23 VAL 6 3HG2 VAL 6 37.056 28.724 1.125 40 H TYR 7 H TYR 7 34.498 24.298 2.434 41 HA TYR 7 HA TYR 7 31.866 24.164 1.046 42 HB2 TYR 7 HB2 TYR 7 34.322 22.550 0.434 43 HB3 TYR 7 HB1 TYR 7 32.742 22.352 -0.365 44 HD1 TYR 7 HD1 TYR 7 31.845 23.937 -1.978 45 HD2 TYR 7 HD2 TYR 7 35.762 24.386 -0.301 46 HE1 TYR 7 HE1 TYR 7 32.304 25.460 -3.770 47 HE2 TYR 7 HE2 TYR 7 36.195 26.119 -2.002 48 HH TYR 7 HH TYR 7 35.417 27.330 -3.966 49 H CYS 8 H CYS 8 30.431 22.517 1.275 50 HA CYS 8 HA CYS 8 31.466 20.175 2.567 51 HB2 CYS 8 HB2 CYS 8 30.579 21.553 4.436 52 HB3 CYS 8 HB1 CYS 8 29.032 21.633 3.799 53 HA DPR 9 HA DPR 9 28.005 18.274 0.446 54 HB2 DPR 9 HB1 DPR 9 30.202 16.568 -0.867 55 HB3 DPR 9 HB2 DPR 9 28.636 16.060 -0.246 56 HG2 DPR 9 HG1 DPR 9 30.886 15.775 1.127 57 HG3 DPR 9 HG2 DPR 9 29.312 15.954 1.904 58 HD2 DPR 9 HD1 DPR 9 31.565 17.857 1.539 59 HD3 DPR 9 HD2 DPR 9 30.269 17.839 2.835 60 H DSG 10 H DAN 10 30.697 19.372 -1.512 61 HA DSG 10 HA DAN 10 28.937 19.573 -3.766 62 HB2 DSG 10 HB1 DAN 10 30.840 20.293 -5.097 63 HB3 DSG 10 HB2 DAN 10 31.234 19.025 -3.964 64 HD21 DSG 10 1HD2 DAN 10 32.521 21.630 -5.403 65 HD22 DSG 10 2HD2 DAN 10 33.226 22.495 -4.008 66 H LYS 11 H LYS 11 29.321 21.656 -1.236 67 HA LYS 11 HA LYS 11 28.060 24.070 -2.576 68 HB2 LYS 11 HB2 LYS 11 26.862 22.236 -0.495 69 HB3 LYS 11 HB1 LYS 11 26.228 23.864 -0.991 70 HG2 LYS 11 HG2 LYS 11 26.657 22.199 -3.287 71 HG3 LYS 11 HG1 LYS 11 25.846 21.212 -1.988 72 HD2 LYS 11 HD2 LYS 11 24.140 23.093 -1.880 73 HD3 LYS 11 HD1 LYS 11 24.928 23.845 -3.205 74 HE2 LYS 11 HE2 LYS 11 24.301 21.815 -4.647 75 HE3 LYS 11 HE1 LYS 11 23.775 21.031 -3.115 76 HZ1 LYS 11 HZ1 LYS 11 21.972 22.141 -4.381 77 HZ2 LYS 11 HZ2 LYS 11 22.662 23.658 -4.040 78 HZ3 LYS 11 HZ3 LYS 11 22.133 22.774 -2.897 79 H TYR 12 H TYR 12 27.670 25.755 -1.172 80 HA TYR 12 HA TYR 12 30.074 26.244 0.315 81 HB2 TYR 12 HB2 TYR 12 28.218 27.747 -1.146 82 HB3 TYR 12 HB1 TYR 12 28.173 28.460 0.435 83 HD1 TYR 12 HD1 TYR 12 30.332 27.580 -2.443 84 HD2 TYR 12 HD2 TYR 12 29.789 30.041 1.035 85 HE1 TYR 12 HE1 TYR 12 32.211 29.058 -3.204 86 HE2 TYR 12 HE2 TYR 12 31.597 31.497 0.282 87 HH TYR 12 HH TYR 12 33.204 31.875 -1.392 88 H DVA 13 H DVA 13 30.646 26.385 2.359 89 HA DVA 13 HA DVA 13 28.606 26.974 4.354 90 HB DVA 13 HB DVA 13 30.509 27.036 5.963 91 HG11 DVA 13 1HG1 DVA 13 32.734 26.292 5.350 92 HG12 DVA 13 2HG1 DVA 13 31.917 25.385 3.964 93 HG13 DVA 13 3HG1 DVA 13 31.575 25.104 5.681 94 HG21 DVA 13 1HG2 DVA 13 31.198 28.261 3.270 95 HG22 DVA 13 2HG2 DVA 13 31.976 28.789 4.827 96 HG23 DVA 13 3HG2 DVA 13 30.283 28.900 4.613 97 HA DPR 14 HA DPR 14 27.731 22.765 5.379 98 HB2 DPR 14 HB1 DPR 14 26.947 22.898 7.942 99 HB3 DPR 14 HB2 DPR 14 25.985 23.782 6.590 100 HG2 DPR 14 HG1 DPR 14 27.872 25.099 8.458 101 HG3 DPR 14 HG2 DPR 14 26.215 25.546 7.913 102 HD2 DPR 14 HD1 DPR 14 28.301 26.614 6.698 103 HD3 DPR 14 HD2 DPR 14 26.922 26.160 5.736 Start of MODEL 17 1 H1 DCY 1 H1 DCY 1 28.963 21.116 6.094 2 HA DCY 1 HA DCY 1 31.234 21.219 7.467 3 HB2 DCY 1 HB1 DCY 1 28.999 19.310 7.378 4 HB3 DCY 1 HB2 DCY 1 30.559 18.950 8.332 5 H ASN 2 H ASN 2 32.040 21.282 9.478 6 HA ASN 2 HA ASN 2 30.586 21.335 11.985 7 HB2 ASN 2 HB2 ASN 2 33.493 21.101 11.605 8 HB3 ASN 2 HB1 ASN 2 32.451 20.774 13.066 9 HD21 ASN 2 1HD2 ASN 2 33.555 19.253 10.020 10 HD22 ASN 2 2HD2 ASN 2 32.964 17.711 10.616 11 H DVA 3 H DVA 3 31.736 23.666 9.736 12 HA DVA 3 HA DVA 3 32.539 25.610 11.793 13 HB DVA 3 HB DVA 3 31.661 27.437 10.238 14 HG11 DVA 3 1HG1 DVA 3 31.458 26.124 8.271 15 HG12 DVA 3 2HG1 DVA 3 29.922 26.825 8.610 16 HG13 DVA 3 3HG1 DVA 3 30.218 25.085 8.957 17 HG21 DVA 3 1HG2 DVA 3 29.586 25.577 11.458 18 HG22 DVA 3 2HG2 DVA 3 29.522 27.356 11.145 19 HG23 DVA 3 3HG2 DVA 3 30.598 26.685 12.419 20 HA DPR 4 HA DPR 4 36.374 25.984 9.549 21 HB2 DPR 4 HB1 DPR 4 35.618 28.701 8.994 22 HB3 DPR 4 HB2 DPR 4 37.259 28.139 9.456 23 HG2 DPR 4 HG1 DPR 4 35.532 29.259 11.300 24 HG3 DPR 4 HG2 DPR 4 36.487 27.790 11.721 25 HD2 DPR 4 HD1 DPR 4 33.571 28.169 10.885 26 HD3 DPR 4 HD2 DPR 4 34.246 27.036 12.130 27 H ASP 5 H ASP 5 37.162 26.150 7.462 28 HA ASP 5 HA ASP 5 37.197 25.893 5.098 29 HB2 ASP 5 HB2 ASP 5 35.784 23.981 6.412 30 HB3 ASP 5 HB1 ASP 5 34.672 24.382 5.110 31 H VAL 6 H VAL 6 35.594 25.611 3.218 32 HA VAL 6 HA VAL 6 33.788 27.896 2.984 33 HB VAL 6 HB VAL 6 34.603 28.643 0.729 34 HG11 VAL 6 1HG1 VAL 6 36.830 28.905 2.702 35 HG12 VAL 6 2HG1 VAL 6 35.255 29.543 2.989 36 HG13 VAL 6 3HG1 VAL 6 36.107 29.929 1.436 37 HG21 VAL 6 1HG2 VAL 6 35.846 26.603 0.058 38 HG22 VAL 6 2HG2 VAL 6 36.922 26.869 1.441 39 HG23 VAL 6 3HG2 VAL 6 36.741 28.167 0.087 40 H TYR 7 H TYR 7 34.567 24.649 2.327 41 HA TYR 7 HA TYR 7 31.904 24.387 1.013 42 HB2 TYR 7 HB2 TYR 7 34.614 23.333 0.279 43 HB3 TYR 7 HB1 TYR 7 33.282 22.370 -0.044 44 HD1 TYR 7 HD1 TYR 7 31.419 24.408 -1.298 45 HD2 TYR 7 HD2 TYR 7 35.587 24.039 -1.600 46 HE1 TYR 7 HE1 TYR 7 31.363 25.660 -3.551 47 HE2 TYR 7 HE2 TYR 7 35.616 25.244 -3.697 48 HH TYR 7 HH TYR 7 34.401 26.264 -5.324 49 H CYS 8 H CYS 8 30.691 22.626 1.454 50 HA CYS 8 HA CYS 8 31.890 20.144 2.519 51 HB2 CYS 8 HB2 CYS 8 30.913 21.356 4.520 52 HB3 CYS 8 HB1 CYS 8 29.373 21.371 3.619 53 HA DPR 9 HA DPR 9 28.344 18.216 0.873 54 HB2 DPR 9 HB1 DPR 9 29.536 16.310 -0.780 55 HB3 DPR 9 HB2 DPR 9 29.465 16.178 0.970 56 HG2 DPR 9 HG1 DPR 9 31.662 17.339 -0.741 57 HG3 DPR 9 HG2 DPR 9 31.808 16.100 0.575 58 HD2 DPR 9 HD1 DPR 9 32.293 18.704 0.941 59 HD3 DPR 9 HD2 DPR 9 31.370 17.878 2.285 60 H DSG 10 H DAN 10 30.619 19.423 -1.536 61 HA DSG 10 HA DAN 10 28.638 19.616 -3.688 62 HB2 DSG 10 HB1 DAN 10 30.508 20.202 -4.974 63 HB3 DSG 10 HB2 DAN 10 30.875 18.815 -3.947 64 HD21 DSG 10 1HD2 DAN 10 32.156 21.336 -5.280 65 HD22 DSG 10 2HD2 DAN 10 33.120 22.092 -3.979 66 H LYS 11 H LYS 11 28.751 21.455 -1.107 67 HA LYS 11 HA LYS 11 27.650 23.849 -2.538 68 HB2 LYS 11 HB2 LYS 11 26.403 22.306 -0.166 69 HB3 LYS 11 HB1 LYS 11 26.081 23.942 -0.537 70 HG2 LYS 11 HG2 LYS 11 24.361 22.950 -1.410 71 HG3 LYS 11 HG1 LYS 11 25.300 23.192 -2.847 72 HD2 LYS 11 HD2 LYS 11 26.183 20.730 -2.531 73 HD3 LYS 11 HD1 LYS 11 24.932 20.553 -1.400 74 HE2 LYS 11 HE2 LYS 11 23.409 21.706 -3.454 75 HE3 LYS 11 HE1 LYS 11 24.715 21.331 -4.313 76 HZ1 LYS 11 HZ1 LYS 11 23.027 19.441 -4.211 77 HZ2 LYS 11 HZ2 LYS 11 23.164 19.369 -2.674 78 HZ3 LYS 11 HZ3 LYS 11 24.495 19.021 -3.768 79 H TYR 12 H TYR 12 27.759 25.760 -1.413 80 HA TYR 12 HA TYR 12 30.165 26.193 0.034 81 HB2 TYR 12 HB2 TYR 12 28.367 27.737 -1.440 82 HB3 TYR 12 HB1 TYR 12 28.288 28.496 0.029 83 HD1 TYR 12 HD1 TYR 12 30.494 27.455 -2.776 84 HD2 TYR 12 HD2 TYR 12 30.246 29.810 0.804 85 HE1 TYR 12 HE1 TYR 12 32.511 28.509 -3.412 86 HE2 TYR 12 HE2 TYR 12 32.269 30.876 0.245 87 HH TYR 12 HH TYR 12 33.961 31.078 -1.247 88 H DVA 13 H DVA 13 30.657 26.624 2.122 89 HA DVA 13 HA DVA 13 28.575 27.168 4.009 90 HB DVA 13 HB DVA 13 30.153 27.413 5.669 91 HG11 DVA 13 1HG1 DVA 13 32.162 25.757 4.094 92 HG12 DVA 13 2HG1 DVA 13 31.468 25.534 5.685 93 HG13 DVA 13 3HG1 DVA 13 32.615 26.854 5.443 94 HG21 DVA 13 1HG2 DVA 13 31.586 28.349 3.247 95 HG22 DVA 13 2HG2 DVA 13 31.710 29.072 4.833 96 HG23 DVA 13 3HG2 DVA 13 30.148 29.171 4.049 97 HA DPR 14 HA DPR 14 27.544 23.223 5.473 98 HB2 DPR 14 HB1 DPR 14 27.670 24.161 8.418 99 HB3 DPR 14 HB2 DPR 14 26.434 23.277 7.466 100 HG2 DPR 14 HG1 DPR 14 26.351 25.892 7.949 101 HG3 DPR 14 HG2 DPR 14 25.566 24.981 6.660 102 HD2 DPR 14 HD1 DPR 14 28.024 26.848 6.644 103 HD3 DPR 14 HD2 DPR 14 26.903 26.398 5.283 Start of MODEL 18 1 H1 DCY 1 H1 DCY 1 28.063 21.057 7.100 2 HA DCY 1 HA DCY 1 30.989 21.212 7.302 3 HB2 DCY 1 HB1 DCY 1 29.021 19.012 7.607 4 HB3 DCY 1 HB2 DCY 1 30.665 18.737 8.156 5 H ASN 2 H ASN 2 32.074 21.412 9.036 6 HA ASN 2 HA ASN 2 30.540 22.046 11.491 7 HB2 ASN 2 HB2 ASN 2 33.167 20.474 11.497 8 HB3 ASN 2 HB1 ASN 2 32.062 20.849 12.876 9 HD21 ASN 2 1HD2 ASN 2 30.036 19.539 12.868 10 HD22 ASN 2 2HD2 ASN 2 29.851 18.098 11.916 11 H DVA 3 H DVA 3 31.080 24.024 9.747 12 HA DVA 3 HA DVA 3 32.543 25.772 11.606 13 HB DVA 3 HB DVA 3 31.979 27.498 10.086 14 HG11 DVA 3 1HG1 DVA 3 30.254 25.489 8.565 15 HG12 DVA 3 2HG1 DVA 3 31.823 26.034 8.069 16 HG13 DVA 3 3HG1 DVA 3 30.529 27.221 8.164 17 HG21 DVA 3 1HG2 DVA 3 30.472 27.205 11.973 18 HG22 DVA 3 2HG2 DVA 3 29.561 25.905 11.082 19 HG23 DVA 3 3HG2 DVA 3 29.571 27.575 10.545 20 HA DPR 4 HA DPR 4 36.434 26.302 9.580 21 HB2 DPR 4 HB1 DPR 4 35.438 29.242 9.343 22 HB3 DPR 4 HB2 DPR 4 37.143 28.511 9.677 23 HG2 DPR 4 HG1 DPR 4 35.574 29.335 11.732 24 HG3 DPR 4 HG2 DPR 4 36.452 27.815 11.763 25 HD2 DPR 4 HD1 DPR 4 33.549 28.321 10.986 26 HD3 DPR 4 HD2 DPR 4 34.225 27.259 12.207 27 H ASP 5 H ASP 5 37.393 26.601 7.497 28 HA ASP 5 HA ASP 5 37.447 26.443 5.284 29 HB2 ASP 5 HB2 ASP 5 36.104 24.408 6.573 30 HB3 ASP 5 HB1 ASP 5 34.984 24.785 5.311 31 H VAL 6 H VAL 6 35.532 25.643 3.518 32 HA VAL 6 HA VAL 6 34.006 28.043 2.613 33 HB VAL 6 HB VAL 6 35.152 27.573 0.327 34 HG11 VAL 6 1HG1 VAL 6 37.237 28.715 0.855 35 HG12 VAL 6 2HG1 VAL 6 36.833 28.578 2.636 36 HG13 VAL 6 3HG1 VAL 6 35.779 29.417 1.436 37 HG21 VAL 6 1HG2 VAL 6 37.268 26.233 2.013 38 HG22 VAL 6 2HG2 VAL 6 37.361 26.619 0.285 39 HG23 VAL 6 3HG2 VAL 6 36.229 25.353 0.975 40 H TYR 7 H TYR 7 34.589 24.526 2.425 41 HA TYR 7 HA TYR 7 32.107 24.341 0.870 42 HB2 TYR 7 HB2 TYR 7 34.839 23.129 0.717 43 HB3 TYR 7 HB1 TYR 7 33.542 22.459 -0.244 44 HD1 TYR 7 HD1 TYR 7 31.930 24.354 -1.101 45 HD2 TYR 7 HD2 TYR 7 36.228 24.228 -1.150 46 HE1 TYR 7 HE1 TYR 7 31.876 25.902 -3.102 47 HE2 TYR 7 HE2 TYR 7 36.177 25.902 -3.105 48 HH TYR 7 HH TYR 7 34.949 26.918 -4.664 49 H CYS 8 H CYS 8 30.710 22.590 1.314 50 HA CYS 8 HA CYS 8 31.703 20.216 2.652 51 HB2 CYS 8 HB2 CYS 8 30.607 21.544 4.379 52 HB3 CYS 8 HB1 CYS 8 29.259 21.699 3.269 53 HA DPR 9 HA DPR 9 28.089 18.067 0.852 54 HB2 DPR 9 HB1 DPR 9 30.151 16.700 -0.708 55 HB3 DPR 9 HB2 DPR 9 28.800 15.996 0.163 56 HG2 DPR 9 HG1 DPR 9 31.355 15.979 1.099 57 HG3 DPR 9 HG2 DPR 9 29.941 16.114 2.233 58 HD2 DPR 9 HD1 DPR 9 31.890 18.119 1.148 59 HD3 DPR 9 HD2 DPR 9 30.935 18.226 2.722 60 H DSG 10 H DAN 10 30.505 19.565 -1.128 61 HA DSG 10 HA DAN 10 28.841 19.506 -3.569 62 HB2 DSG 10 HB1 DAN 10 30.931 20.488 -4.579 63 HB3 DSG 10 HB2 DAN 10 31.460 19.083 -3.605 64 HD21 DSG 10 1HD2 DAN 10 32.394 21.975 -4.373 65 HD22 DSG 10 2HD2 DAN 10 33.188 22.472 -2.849 66 H LYS 11 H LYS 11 28.919 21.555 -1.128 67 HA LYS 11 HA LYS 11 28.156 24.054 -2.585 68 HB2 LYS 11 HB2 LYS 11 26.560 22.500 -0.675 69 HB3 LYS 11 HB1 LYS 11 26.344 24.179 -0.946 70 HG2 LYS 11 HG2 LYS 11 25.867 23.864 -3.393 71 HG3 LYS 11 HG1 LYS 11 25.916 22.206 -3.222 72 HD2 LYS 11 HD2 LYS 11 24.139 22.488 -1.292 73 HD3 LYS 11 HD1 LYS 11 23.984 24.160 -2.015 74 HE2 LYS 11 HE2 LYS 11 23.388 23.088 -4.089 75 HE3 LYS 11 HE1 LYS 11 23.678 21.427 -3.445 76 HZ1 LYS 11 HZ1 LYS 11 21.927 21.970 -1.893 77 HZ2 LYS 11 HZ2 LYS 11 21.501 21.725 -3.539 78 HZ3 LYS 11 HZ3 LYS 11 21.545 23.207 -2.836 79 H TYR 12 H TYR 12 27.740 25.864 -1.178 80 HA TYR 12 HA TYR 12 30.072 26.295 0.447 81 HB2 TYR 12 HB2 TYR 12 28.027 28.090 -0.722 82 HB3 TYR 12 HB1 TYR 12 28.648 28.510 0.783 83 HD1 TYR 12 HD1 TYR 12 29.633 27.833 -2.616 84 HD2 TYR 12 HD2 TYR 12 30.951 29.414 1.162 85 HE1 TYR 12 HE1 TYR 12 31.737 28.886 -3.666 86 HE2 TYR 12 HE2 TYR 12 33.048 30.241 0.133 87 HH TYR 12 HH TYR 12 34.094 30.646 -1.860 88 H DVA 13 H DVA 13 30.485 26.544 2.352 89 HA DVA 13 HA DVA 13 28.620 27.111 4.341 90 HB DVA 13 HB DVA 13 30.336 26.681 5.940 91 HG11 DVA 13 1HG1 DVA 13 31.235 24.681 5.530 92 HG12 DVA 13 2HG1 DVA 13 32.651 25.780 5.137 93 HG13 DVA 13 3HG1 DVA 13 31.659 24.957 3.921 94 HG21 DVA 13 1HG2 DVA 13 31.490 27.909 3.426 95 HG22 DVA 13 2HG2 DVA 13 31.849 28.352 5.094 96 HG23 DVA 13 3HG2 DVA 13 30.289 28.765 4.425 97 HA DPR 14 HA DPR 14 27.445 22.928 5.625 98 HB2 DPR 14 HB1 DPR 14 27.030 23.189 8.363 99 HB3 DPR 14 HB2 DPR 14 25.872 23.716 7.099 100 HG2 DPR 14 HG1 DPR 14 27.772 25.326 8.820 101 HG3 DPR 14 HG2 DPR 14 26.327 25.832 8.190 102 HD2 DPR 14 HD1 DPR 14 28.615 26.593 6.827 103 HD3 DPR 14 HD2 DPR 14 26.950 26.529 6.227 Start of MODEL 19 1 H1 DCY 1 H1 DCY 1 28.486 21.026 6.732 2 HA DCY 1 HA DCY 1 31.231 21.391 7.504 3 HB2 DCY 1 HB1 DCY 1 29.327 19.027 7.696 4 HB3 DCY 1 HB2 DCY 1 30.927 18.896 8.406 5 H ASN 2 H ASN 2 32.144 21.123 9.572 6 HA ASN 2 HA ASN 2 30.278 21.676 11.783 7 HB2 ASN 2 HB2 ASN 2 33.197 20.811 12.109 8 HB3 ASN 2 HB1 ASN 2 31.910 20.993 13.267 9 HD21 ASN 2 1HD2 ASN 2 29.718 19.584 12.603 10 HD22 ASN 2 2HD2 ASN 2 30.204 17.962 12.373 11 H DVA 3 H DVA 3 31.976 23.613 9.933 12 HA DVA 3 HA DVA 3 32.740 25.684 11.871 13 HB DVA 3 HB DVA 3 31.928 27.424 10.262 14 HG11 DVA 3 1HG1 DVA 3 30.218 25.114 9.263 15 HG12 DVA 3 2HG1 DVA 3 31.181 26.216 8.343 16 HG13 DVA 3 3HG1 DVA 3 29.691 26.755 9.074 17 HG21 DVA 3 1HG2 DVA 3 29.841 25.976 11.827 18 HG22 DVA 3 2HG2 DVA 3 29.926 27.775 11.463 19 HG23 DVA 3 3HG2 DVA 3 31.035 27.050 12.567 20 HA DPR 4 HA DPR 4 36.408 26.006 9.517 21 HB2 DPR 4 HB1 DPR 4 35.803 28.973 9.260 22 HB3 DPR 4 HB2 DPR 4 37.348 28.034 9.512 23 HG2 DPR 4 HG1 DPR 4 35.989 29.083 11.670 24 HG3 DPR 4 HG2 DPR 4 36.763 27.529 11.714 25 HD2 DPR 4 HD1 DPR 4 33.870 28.296 10.898 26 HD3 DPR 4 HD2 DPR 4 34.376 27.035 12.152 27 H ASP 5 H ASP 5 37.324 26.098 7.453 28 HA ASP 5 HA ASP 5 37.424 25.859 5.271 29 HB2 ASP 5 HB2 ASP 5 36.107 23.964 6.603 30 HB3 ASP 5 HB1 ASP 5 34.775 24.564 5.646 31 H VAL 6 H VAL 6 35.470 25.501 3.372 32 HA VAL 6 HA VAL 6 33.980 27.976 3.097 33 HB VAL 6 HB VAL 6 34.846 27.937 0.579 34 HG11 VAL 6 1HG1 VAL 6 36.156 29.969 1.137 35 HG12 VAL 6 2HG1 VAL 6 36.263 29.385 2.899 36 HG13 VAL 6 3HG1 VAL 6 34.805 29.814 2.043 37 HG21 VAL 6 1HG2 VAL 6 36.425 26.308 0.689 38 HG22 VAL 6 2HG2 VAL 6 37.322 26.957 2.040 39 HG23 VAL 6 3HG2 VAL 6 37.282 27.889 0.444 40 H TYR 7 H TYR 7 34.511 24.615 2.229 41 HA TYR 7 HA TYR 7 31.773 24.607 1.457 42 HB2 TYR 7 HB2 TYR 7 32.542 23.026 -0.644 43 HB3 TYR 7 HB1 TYR 7 32.132 24.689 -0.619 44 HD1 TYR 7 HD1 TYR 7 33.543 26.184 -1.466 45 HD2 TYR 7 HD2 TYR 7 35.161 22.330 -0.375 46 HE1 TYR 7 HE1 TYR 7 35.709 26.735 -2.706 47 HE2 TYR 7 HE2 TYR 7 37.381 23.104 -1.418 48 HH TYR 7 HH TYR 7 38.451 24.557 -2.513 49 H CYS 8 H CYS 8 30.680 22.686 1.470 50 HA CYS 8 HA CYS 8 31.965 20.299 2.682 51 HB2 CYS 8 HB2 CYS 8 31.154 21.316 4.625 52 HB3 CYS 8 HB1 CYS 8 29.745 21.795 3.948 53 HA DPR 9 HA DPR 9 28.449 18.014 1.099 54 HB2 DPR 9 HB1 DPR 9 30.401 16.979 -0.950 55 HB3 DPR 9 HB2 DPR 9 29.282 16.004 -0.019 56 HG2 DPR 9 HG1 DPR 9 31.777 16.038 0.907 57 HG3 DPR 9 HG2 DPR 9 30.524 16.452 2.081 58 HD2 DPR 9 HD1 DPR 9 32.384 18.443 0.916 59 HD3 DPR 9 HD2 DPR 9 31.602 18.203 2.423 60 H DSG 10 H DAN 10 30.371 19.392 -1.358 61 HA DSG 10 HA DAN 10 28.393 19.251 -3.397 62 HB2 DSG 10 HB1 DAN 10 29.986 20.089 -4.773 63 HB3 DSG 10 HB2 DAN 10 30.789 18.979 -3.630 64 HD21 DSG 10 1HD2 DAN 10 30.756 22.145 -5.243 65 HD22 DSG 10 2HD2 DAN 10 31.935 22.876 -4.121 66 H LYS 11 H LYS 11 29.013 21.720 -1.000 67 HA LYS 11 HA LYS 11 27.866 23.982 -2.465 68 HB2 LYS 11 HB2 LYS 11 26.394 22.750 -0.211 69 HB3 LYS 11 HB1 LYS 11 26.173 24.427 -0.771 70 HG2 LYS 11 HG2 LYS 11 25.658 23.143 -3.038 71 HG3 LYS 11 HG1 LYS 11 25.536 21.688 -2.038 72 HD2 LYS 11 HD2 LYS 11 23.957 22.746 -0.432 73 HD3 LYS 11 HD1 LYS 11 23.973 24.205 -1.482 74 HE2 LYS 11 HE2 LYS 11 23.196 22.788 -3.418 75 HE3 LYS 11 HE1 LYS 11 23.019 21.462 -2.341 76 HZ1 LYS 11 HZ1 LYS 11 20.992 22.911 -2.727 77 HZ2 LYS 11 HZ2 LYS 11 21.545 23.912 -1.660 78 HZ3 LYS 11 HZ3 LYS 11 21.188 22.344 -1.278 79 H TYR 12 H TYR 12 28.299 26.034 -1.616 80 HA TYR 12 HA TYR 12 30.471 26.119 0.274 81 HB2 TYR 12 HB2 TYR 12 28.838 28.260 -1.205 82 HB3 TYR 12 HB1 TYR 12 29.534 28.629 0.345 83 HD1 TYR 12 HD1 TYR 12 30.424 26.794 -2.755 84 HD2 TYR 12 HD2 TYR 12 31.570 29.822 -0.003 85 HE1 TYR 12 HE1 TYR 12 32.484 27.249 -4.152 86 HE2 TYR 12 HE2 TYR 12 33.795 30.048 -1.103 87 HH TYR 12 HH TYR 12 34.824 29.701 -3.076 88 H DVA 13 H DVA 13 30.597 26.609 2.224 89 HA DVA 13 HA DVA 13 28.154 26.833 3.731 90 HB DVA 13 HB DVA 13 29.658 27.501 5.620 91 HG11 DVA 13 1HG1 DVA 13 31.232 25.578 5.516 92 HG12 DVA 13 2HG1 DVA 13 32.017 27.167 5.624 93 HG13 DVA 13 3HG1 DVA 13 32.040 26.297 4.159 94 HG21 DVA 13 1HG2 DVA 13 29.609 29.163 3.838 95 HG22 DVA 13 2HG2 DVA 13 31.105 28.390 3.172 96 HG23 DVA 13 3HG2 DVA 13 31.134 29.097 4.789 97 HA DPR 14 HA DPR 14 27.948 22.526 4.970 98 HB2 DPR 14 HB1 DPR 14 26.792 22.656 7.464 99 HB3 DPR 14 HB2 DPR 14 26.013 23.107 5.910 100 HG2 DPR 14 HG1 DPR 14 27.503 24.927 7.897 101 HG3 DPR 14 HG2 DPR 14 25.809 25.121 7.246 102 HD2 DPR 14 HD1 DPR 14 27.868 26.468 6.221 103 HD3 DPR 14 HD2 DPR 14 26.495 25.880 5.235 Start of MODEL 20 1 H1 DCY 1 H1 DCY 1 28.357 21.410 6.785 2 HA DCY 1 HA DCY 1 31.195 21.246 7.003 3 HB2 DCY 1 HB1 DCY 1 28.837 19.485 7.772 4 HB3 DCY 1 HB2 DCY 1 30.417 19.031 8.341 5 H ASN 2 H ASN 2 32.489 21.022 8.863 6 HA ASN 2 HA ASN 2 31.293 20.880 11.470 7 HB2 ASN 2 HB2 ASN 2 34.109 20.624 10.598 8 HB3 ASN 2 HB1 ASN 2 33.569 20.441 12.304 9 HD21 ASN 2 1HD2 ASN 2 31.379 18.675 12.059 10 HD22 ASN 2 2HD2 ASN 2 31.889 17.246 11.104 11 H DVA 3 H DVA 3 31.892 23.533 9.737 12 HA DVA 3 HA DVA 3 32.497 25.362 11.939 13 HB DVA 3 HB DVA 3 31.217 27.056 10.511 14 HG11 DVA 3 1HG1 DVA 3 30.053 24.485 9.319 15 HG12 DVA 3 2HG1 DVA 3 31.208 25.623 8.395 16 HG13 DVA 3 3HG1 DVA 3 29.684 26.126 8.964 17 HG21 DVA 3 1HG2 DVA 3 29.970 24.612 11.775 18 HG22 DVA 3 2HG2 DVA 3 29.159 26.237 11.446 19 HG23 DVA 3 3HG2 DVA 3 30.491 26.115 12.585 20 HA DPR 4 HA DPR 4 36.087 27.144 9.805 21 HB2 DPR 4 HB1 DPR 4 34.319 29.519 9.241 22 HB3 DPR 4 HB2 DPR 4 36.080 29.501 9.621 23 HG2 DPR 4 HG1 DPR 4 34.349 29.899 11.674 24 HG3 DPR 4 HG2 DPR 4 35.716 28.797 11.906 25 HD2 DPR 4 HD1 DPR 4 32.894 28.313 11.267 26 HD3 DPR 4 HD2 DPR 4 33.984 27.206 12.268 27 H ASP 5 H ASP 5 36.877 27.028 7.919 28 HA ASP 5 HA ASP 5 37.133 26.471 5.856 29 HB2 ASP 5 HB2 ASP 5 36.055 24.629 7.219 30 HB3 ASP 5 HB1 ASP 5 34.684 24.724 6.155 31 H VAL 6 H VAL 6 35.415 25.544 3.796 32 HA VAL 6 HA VAL 6 33.565 27.719 2.995 33 HB VAL 6 HB VAL 6 34.499 27.639 0.714 34 HG11 VAL 6 1HG1 VAL 6 36.050 29.350 0.935 35 HG12 VAL 6 2HG1 VAL 6 36.354 28.904 2.710 36 HG13 VAL 6 3HG1 VAL 6 34.826 29.574 2.101 37 HG21 VAL 6 1HG2 VAL 6 36.326 25.604 1.190 38 HG22 VAL 6 2HG2 VAL 6 37.210 26.889 1.964 39 HG23 VAL 6 3HG2 VAL 6 36.792 26.968 0.279 40 H TYR 7 H TYR 7 34.398 24.473 2.581 41 HA TYR 7 HA TYR 7 32.027 24.001 0.915 42 HB2 TYR 7 HB2 TYR 7 34.661 22.654 0.409 43 HB3 TYR 7 HB1 TYR 7 33.097 22.211 -0.290 44 HD1 TYR 7 HD1 TYR 7 31.818 23.916 -1.588 45 HD2 TYR 7 HD2 TYR 7 35.929 24.442 -0.545 46 HE1 TYR 7 HE1 TYR 7 31.954 25.593 -3.346 47 HE2 TYR 7 HE2 TYR 7 36.218 26.074 -2.341 48 HH TYR 7 HH TYR 7 35.005 27.311 -3.952 49 H CYS 8 H CYS 8 30.691 22.378 1.165 50 HA CYS 8 HA CYS 8 31.554 19.933 2.516 51 HB2 CYS 8 HB2 CYS 8 31.144 20.857 4.530 52 HB3 CYS 8 HB1 CYS 8 29.795 21.871 4.009 53 HA DPR 9 HA DPR 9 27.501 18.763 0.831 54 HB2 DPR 9 HB1 DPR 9 29.089 16.519 -0.410 55 HB3 DPR 9 HB2 DPR 9 27.595 16.357 0.510 56 HG2 DPR 9 HG1 DPR 9 29.888 15.648 1.658 57 HG3 DPR 9 HG2 DPR 9 28.700 16.592 2.579 58 HD2 DPR 9 HD1 DPR 9 31.149 17.724 1.096 59 HD3 DPR 9 HD2 DPR 9 30.647 18.069 2.746 60 H DSG 10 H DAN 10 30.424 19.158 -1.052 61 HA DSG 10 HA DAN 10 28.971 19.447 -3.463 62 HB2 DSG 10 HB1 DAN 10 31.136 19.567 -4.555 63 HB3 DSG 10 HB2 DAN 10 31.132 18.320 -3.391 64 HD21 DSG 10 1HD2 DAN 10 33.596 19.827 -4.342 65 HD22 DSG 10 2HD2 DAN 10 34.270 20.358 -2.798 66 H LYS 11 H LYS 11 28.875 21.528 -0.980 67 HA LYS 11 HA LYS 11 28.607 23.858 -2.748 68 HB2 LYS 11 HB2 LYS 11 26.679 22.465 -0.854 69 HB3 LYS 11 HB1 LYS 11 26.338 24.052 -1.351 70 HG2 LYS 11 HG2 LYS 11 26.363 23.240 -3.699 71 HG3 LYS 11 HG1 LYS 11 26.834 21.600 -3.118 72 HD2 LYS 11 HD2 LYS 11 24.764 21.360 -1.894 73 HD3 LYS 11 HD1 LYS 11 24.271 23.046 -2.331 74 HE2 LYS 11 HE2 LYS 11 23.265 22.271 -4.256 75 HE3 LYS 11 HE1 LYS 11 24.883 21.621 -4.628 76 HZ1 LYS 11 HZ1 LYS 11 23.628 19.717 -4.688 77 HZ2 LYS 11 HZ2 LYS 11 22.747 20.335 -3.405 78 HZ3 LYS 11 HZ3 LYS 11 24.333 19.730 -3.238 79 H TYR 12 H TYR 12 28.006 25.854 -1.525 80 HA TYR 12 HA TYR 12 30.243 26.324 0.116 81 HB2 TYR 12 HB2 TYR 12 29.088 27.817 -1.763 82 HB3 TYR 12 HB1 TYR 12 28.471 28.592 -0.180 83 HD1 TYR 12 HD1 TYR 12 31.602 27.365 -1.717 84 HD2 TYR 12 HD2 TYR 12 29.740 30.185 0.978 85 HE1 TYR 12 HE1 TYR 12 33.756 28.712 -1.503 86 HE2 TYR 12 HE2 TYR 12 31.844 31.359 1.185 87 HH TYR 12 HH TYR 12 34.009 31.742 0.318 88 H DVA 13 H DVA 13 30.476 26.606 2.146 89 HA DVA 13 HA DVA 13 28.321 27.242 3.886 90 HB DVA 13 HB DVA 13 29.711 27.352 5.771 91 HG11 DVA 13 1HG1 DVA 13 31.380 25.879 5.835 92 HG12 DVA 13 2HG1 DVA 13 32.359 27.182 5.305 93 HG13 DVA 13 3HG1 DVA 13 31.821 25.975 4.108 94 HG21 DVA 13 1HG2 DVA 13 29.644 29.248 4.034 95 HG22 DVA 13 2HG2 DVA 13 31.221 28.813 3.498 96 HG23 DVA 13 3HG2 DVA 13 31.078 29.203 5.125 97 HA DPR 14 HA DPR 14 27.497 23.195 5.784 98 HB2 DPR 14 HB1 DPR 14 28.074 24.460 8.522 99 HB3 DPR 14 HB2 DPR 14 26.853 23.339 7.945 100 HG2 DPR 14 HG1 DPR 14 26.218 25.859 8.017 101 HG3 DPR 14 HG2 DPR 14 25.611 24.790 6.686 102 HD2 DPR 14 HD1 DPR 14 27.801 26.940 6.632 103 HD3 DPR 14 HD2 DPR 14 26.679 26.326 5.397
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