NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623700 | 6bet | 30362 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 HIS 1 H1 HIS 1 38.980 25.800 36.130 2 HA HIS 1 HA HIS 1 41.590 25.760 36.370 3 HB2 HIS 1 HB2 HIS 1 39.780 25.320 38.130 4 HB3 HIS 1 HB1 HIS 1 39.860 23.610 37.700 5 HD1 HIS 1 HD1 HIS 1 41.960 22.310 38.790 6 HD2 HIS 1 HD2 HIS 1 41.980 26.600 39.080 7 HE1 HIS 1 HE1 HIS 1 43.700 23.010 40.550 8 HE2 HIS 1 HE2 HIS 1 43.650 25.490 40.780 9 HA DPR 2 HA DPR 2 42.970 21.840 34.890 10 HB2 DPR 2 HB1 DPR 2 45.700 22.340 34.620 11 HB3 DPR 2 HB2 DPR 2 44.920 22.420 36.190 12 HG2 DPR 2 HG1 DPR 2 45.370 24.870 34.470 13 HG3 DPR 2 HG2 DPR 2 45.950 24.550 36.180 14 HD2 DPR 2 HD1 DPR 2 43.660 25.810 35.530 15 HD3 DPR 2 HD2 DPR 2 43.670 24.830 36.990 16 H DVA 3 H DVA 3 42.050 24.220 33.070 17 HA DVA 3 HA DVA 3 42.710 22.920 30.460 18 HB DVA 3 HB DVA 3 43.190 25.140 29.650 19 HG11 DVA 3 1HG1 DVA 3 43.350 27.170 30.970 20 HG12 DVA 3 2HG1 DVA 3 42.990 26.210 32.450 21 HG13 DVA 3 3HG1 DVA 3 41.760 26.510 31.270 22 HG21 DVA 3 1HG2 DVA 3 44.900 24.690 32.070 23 HG22 DVA 3 2HG2 DVA 3 45.300 25.330 30.430 24 HG23 DVA 3 3HG2 DVA 3 44.980 23.660 30.600 25 H CYS 4 H CYS 4 41.470 23.360 28.720 26 HA CYS 4 HA CYS 4 38.810 23.440 29.630 27 HB2 CYS 4 HB2 CYS 4 39.190 25.900 28.830 28 HB3 CYS 4 HB1 CYS 4 39.620 25.320 27.250 29 H ILE 5 H ILE 5 37.340 22.480 28.430 30 HA ILE 5 HA ILE 5 38.320 20.960 26.080 31 HB ILE 5 HB ILE 5 36.430 19.990 28.160 32 HG12 ILE 5 2HG1 ILE 5 38.830 19.940 28.890 33 HG13 ILE 5 1HG1 ILE 5 38.050 18.400 28.770 34 HG21 ILE 5 1HG2 ILE 5 36.530 17.820 26.890 35 HG22 ILE 5 2HG2 ILE 5 37.290 18.860 25.570 36 HG23 ILE 5 3HG2 ILE 5 35.630 19.150 26.270 37 HD11 ILE 5 HD1 ILE 5 39.660 19.530 26.460 38 HD12 ILE 5 HD2 ILE 5 39.380 17.870 26.860 39 HD13 ILE 5 HD3 ILE 5 40.540 18.680 27.880 40 HA PRO 6 HA PRO 6 34.830 23.560 24.730 41 HB2 PRO 6 HB2 PRO 6 35.240 23.440 22.070 42 HB3 PRO 6 HB1 PRO 6 36.100 24.440 23.280 43 HG2 PRO 6 HG2 PRO 6 37.020 21.890 21.910 44 HG3 PRO 6 HG1 PRO 6 37.960 23.330 22.090 45 HD2 PRO 6 HD2 PRO 6 38.180 21.400 24.060 46 HD3 PRO 6 HD1 PRO 6 38.230 23.110 24.440 47 HA DPR 7 HA DPR 7 32.390 20.270 22.430 48 HB2 DPR 7 HB1 DPR 7 29.920 21.350 22.950 49 HB3 DPR 7 HB2 DPR 7 31.050 21.620 21.570 50 HG2 DPR 7 HG1 DPR 7 30.680 23.340 24.060 51 HG3 DPR 7 HG2 DPR 7 30.680 23.970 22.440 52 HD2 DPR 7 HD1 DPR 7 32.810 23.950 24.030 53 HD3 DPR 7 HD2 DPR 7 33.150 23.700 22.340 54 H GLU 8 H GLU 8 32.250 18.490 23.780 55 HA GLU 8 HA GLU 8 30.720 18.670 26.290 56 HB2 GLU 8 HB2 GLU 8 30.710 16.770 24.530 57 HB3 GLU 8 HB1 GLU 8 32.220 16.210 25.240 58 HG2 GLU 8 HG2 GLU 8 31.210 16.180 27.490 59 HG3 GLU 8 HG1 GLU 8 29.700 16.770 26.750 60 H DLY 9 H DLY 9 31.540 19.930 27.770 61 HA DLY 9 HA DLY 9 34.350 19.720 28.410 62 HB2 DLY 9 HB1 DLY 9 33.780 19.490 30.850 63 HB3 DLY 9 HB2 DLY 9 33.510 18.010 29.910 64 HG2 DLY 9 HG1 DLY 9 31.320 18.080 29.970 65 HG3 DLY 9 HG2 DLY 9 31.130 19.780 30.500 66 HD2 DLY 9 HD1 DLY 9 31.970 19.280 32.650 67 HD3 DLY 9 HD2 DLY 9 32.680 17.760 32.080 68 HE2 DLY 9 HE1 DLY 9 30.470 16.790 31.570 69 HE3 DLY 9 HE2 DLY 9 29.590 18.160 32.050 70 HZ1 DLY 9 HZ1 DLY 9 29.380 16.710 33.720 71 HZ2 DLY 9 HZ2 DLY 9 30.110 18.080 34.210 72 HZ3 DLY 9 HZ3 DLY 9 31.010 16.710 34.080 73 H VAL 10 H VAL 10 34.970 21.180 30.140 74 HA VAL 10 HA VAL 10 33.380 23.670 30.230 75 HB VAL 10 HB VAL 10 33.930 23.870 32.580 76 HG11 VAL 10 1HG1 VAL 10 31.940 22.860 33.230 77 HG12 VAL 10 2HG1 VAL 10 31.890 21.700 31.850 78 HG13 VAL 10 3HG1 VAL 10 31.830 23.320 31.500 79 HG21 VAL 10 1HG2 VAL 10 34.290 20.930 32.620 80 HG22 VAL 10 2HG2 VAL 10 34.110 22.070 33.950 81 HG23 VAL 10 3HG2 VAL 10 35.660 22.080 32.880 82 H CYS 11 H CYS 11 34.620 25.570 30.970 83 HA CYS 11 HA CYS 11 37.540 25.370 30.490 84 HB2 CYS 11 HB2 CYS 11 35.660 27.680 30.130 85 HB3 CYS 11 HB1 CYS 11 37.450 27.920 30.110 86 H DGL 12 H DGU 12 38.870 26.260 31.840 87 HA DGL 12 HA DGU 12 37.810 26.550 34.610 88 HB2 DGL 12 HB1 DGU 12 37.930 28.660 33.320 89 HB3 DGL 12 HB2 DGU 12 39.690 28.560 33.350 90 HG2 DGL 12 HG1 DGU 12 39.780 28.850 35.610 91 HG3 DGL 12 HG2 DGU 12 37.970 28.750 35.880 Start of MODEL 2 1 H1 HIS 1 H1 HIS 1 38.965 24.634 35.771 2 HA HIS 1 HA HIS 1 41.627 25.291 36.755 3 HB2 HIS 1 HB2 HIS 1 39.752 24.147 38.050 4 HB3 HIS 1 HB1 HIS 1 40.174 22.716 37.261 5 HD1 HIS 1 HD1 HIS 1 43.093 22.065 37.835 6 HD2 HIS 1 HD2 HIS 1 41.026 25.093 39.949 7 HE1 HIS 1 HE1 HIS 1 44.481 22.575 39.932 8 HE2 HIS 1 HE2 HIS 1 43.182 24.270 41.259 9 HA DPR 2 HA DPR 2 43.548 21.937 34.407 10 HB2 DPR 2 HB1 DPR 2 45.977 23.203 33.748 11 HB3 DPR 2 HB2 DPR 2 45.589 22.568 35.345 12 HG2 DPR 2 HG1 DPR 2 45.253 25.374 34.257 13 HG3 DPR 2 HG2 DPR 2 46.079 24.845 35.806 14 HD2 DPR 2 HD1 DPR 2 43.429 25.719 35.658 15 HD3 DPR 2 HD2 DPR 2 43.915 24.490 36.815 16 H DVA 3 H DVA 3 42.558 25.074 32.978 17 HA DVA 3 HA DVA 3 42.924 23.949 30.273 18 HB DVA 3 HB DVA 3 43.001 26.210 29.463 19 HG11 DVA 3 1HG1 DVA 3 43.059 28.084 30.759 20 HG12 DVA 3 2HG1 DVA 3 42.771 27.189 32.276 21 HG13 DVA 3 3HG1 DVA 3 41.495 27.128 31.001 22 HG21 DVA 3 1HG2 DVA 3 44.788 25.715 31.801 23 HG22 DVA 3 2HG2 DVA 3 45.303 26.707 30.442 24 HG23 DVA 3 3HG2 DVA 3 44.988 25.023 30.179 25 H CYS 4 H CYS 4 41.426 23.967 28.723 26 HA CYS 4 HA CYS 4 38.657 23.850 29.851 27 HB2 CYS 4 HB2 CYS 4 39.061 25.925 28.577 28 HB3 CYS 4 HB1 CYS 4 39.181 24.864 27.105 29 H ILE 5 H ILE 5 37.331 22.644 28.088 30 HA ILE 5 HA ILE 5 38.816 20.871 26.214 31 HB ILE 5 HB ILE 5 36.649 20.101 28.100 32 HG12 ILE 5 2HG1 ILE 5 38.981 19.827 28.997 33 HG13 ILE 5 1HG1 ILE 5 38.230 18.288 28.774 34 HG21 ILE 5 1HG2 ILE 5 36.588 17.980 27.142 35 HG22 ILE 5 2HG2 ILE 5 37.797 18.279 25.924 36 HG23 ILE 5 3HG2 ILE 5 36.177 19.097 25.792 37 HD11 ILE 5 HD1 ILE 5 40.546 18.473 28.292 38 HD12 ILE 5 HD2 ILE 5 40.329 19.438 26.892 39 HD13 ILE 5 HD3 ILE 5 39.602 17.794 26.876 40 HA PRO 6 HA PRO 6 35.699 22.924 23.825 41 HB2 PRO 6 HB2 PRO 6 36.180 21.305 21.407 42 HB3 PRO 6 HB1 PRO 6 36.771 22.863 21.620 43 HG2 PRO 6 HG2 PRO 6 38.394 20.478 21.680 44 HG3 PRO 6 HG1 PRO 6 38.706 22.133 22.321 45 HD2 PRO 6 HD2 PRO 6 37.668 19.623 23.717 46 HD3 PRO 6 HD1 PRO 6 38.929 20.641 24.300 47 HA DPR 7 HA DPR 7 32.607 19.686 22.254 48 HB2 DPR 7 HB1 DPR 7 30.399 21.093 22.295 49 HB3 DPR 7 HB2 DPR 7 31.477 21.056 20.926 50 HG2 DPR 7 HG1 DPR 7 31.208 23.266 23.038 51 HG3 DPR 7 HG2 DPR 7 31.557 23.263 21.276 52 HD2 DPR 7 HD1 DPR 7 33.673 23.467 23.117 53 HD3 DPR 7 HD2 DPR 7 33.704 22.875 21.402 54 H GLU 8 H GLU 8 31.628 18.283 23.931 55 HA GLU 8 HA GLU 8 30.152 19.580 26.034 56 HB2 GLU 8 HB2 GLU 8 29.382 17.512 24.894 57 HB3 GLU 8 HB1 GLU 8 30.761 16.651 25.697 58 HG2 GLU 8 HG2 GLU 8 29.831 17.052 27.871 59 HG3 GLU 8 HG1 GLU 8 28.718 18.196 27.263 60 H DLY 9 H DLY 9 31.394 20.715 27.450 61 HA DLY 9 HA DLY 9 33.675 19.725 28.860 62 HB2 DLY 9 HB1 DLY 9 32.458 19.472 30.991 63 HB3 DLY 9 HB2 DLY 9 32.318 18.172 29.783 64 HG2 DLY 9 HG1 DLY 9 30.096 18.921 29.228 65 HG3 DLY 9 HG2 DLY 9 30.254 20.235 30.476 66 HD2 DLY 9 HD1 DLY 9 30.792 18.150 32.119 67 HD3 DLY 9 HD2 DLY 9 30.267 17.176 30.968 68 HE2 DLY 9 HE1 DLY 9 28.329 17.560 32.308 69 HE3 DLY 9 HE2 DLY 9 27.947 18.785 31.096 70 HZ1 DLY 9 HZ1 DLY 9 28.937 20.390 32.656 71 HZ2 DLY 9 HZ2 DLY 9 29.329 19.148 33.669 72 HZ3 DLY 9 HZ3 DLY 9 27.797 19.582 33.363 73 H VAL 10 H VAL 10 34.368 21.189 30.568 74 HA VAL 10 HA VAL 10 33.202 23.915 30.412 75 HB VAL 10 HB VAL 10 33.170 24.205 32.725 76 HG11 VAL 10 1HG1 VAL 10 31.086 23.164 31.579 77 HG12 VAL 10 2HG1 VAL 10 31.144 23.006 33.252 78 HG13 VAL 10 3HG1 VAL 10 31.589 21.641 32.293 79 HG21 VAL 10 1HG2 VAL 10 33.532 22.479 34.320 80 HG22 VAL 10 2HG2 VAL 10 35.089 22.641 33.380 81 HG23 VAL 10 3HG2 VAL 10 33.873 21.382 32.984 82 H CYS 11 H CYS 11 34.472 25.602 31.003 83 HA CYS 11 HA CYS 11 37.394 25.065 30.934 84 HB2 CYS 11 HB2 CYS 11 36.037 27.760 30.753 85 HB3 CYS 11 HB1 CYS 11 37.702 27.249 30.419 86 H DGL 12 H DGU 12 38.786 25.766 32.439 87 HA DGL 12 HA DGU 12 37.972 26.423 35.128 88 HB2 DGL 12 HB1 DGU 12 39.781 28.256 33.591 89 HB3 DGL 12 HB2 DGU 12 39.374 28.345 35.217 90 HG2 DGL 12 HG1 DGU 12 36.899 28.864 34.632 91 HG3 DGL 12 HG2 DGU 12 37.416 29.005 32.898 Start of MODEL 3 1 H1 HIS 1 H1 HIS 1 38.903 24.557 36.225 2 HA HIS 1 HA HIS 1 41.630 24.828 36.538 3 HB2 HIS 1 HB2 HIS 1 39.950 23.768 37.955 4 HB3 HIS 1 HB1 HIS 1 39.961 22.290 36.983 5 HD1 HIS 1 HD1 HIS 1 42.442 21.030 37.032 6 HD2 HIS 1 HD2 HIS 1 41.856 24.209 39.682 7 HE1 HIS 1 HE1 HIS 1 44.159 20.756 38.819 8 HE2 HIS 1 HE2 HIS 1 43.858 22.619 40.550 9 HA DPR 2 HA DPR 2 43.529 21.809 33.634 10 HB2 DPR 2 HB1 DPR 2 45.258 24.011 33.026 11 HB3 DPR 2 HB2 DPR 2 45.725 22.490 33.568 12 HG2 DPR 2 HG1 DPR 2 45.805 24.797 35.181 13 HG3 DPR 2 HG2 DPR 2 45.584 23.154 35.850 14 HD2 DPR 2 HD1 DPR 2 43.653 25.428 35.347 15 HD3 DPR 2 HD2 DPR 2 43.564 24.127 36.566 16 H DVA 3 H DVA 3 42.771 25.212 32.809 17 HA DVA 3 HA DVA 3 42.978 24.668 29.905 18 HB DVA 3 HB DVA 3 42.501 26.901 29.627 19 HG11 DVA 3 1HG1 DVA 3 42.465 28.616 31.342 20 HG12 DVA 3 2HG1 DVA 3 42.196 27.385 32.523 21 HG13 DVA 3 3HG1 DVA 3 41.052 27.657 31.120 22 HG21 DVA 3 1HG2 DVA 3 44.631 26.290 31.691 23 HG22 DVA 3 2HG2 DVA 3 44.694 27.703 30.555 24 HG23 DVA 3 3HG2 DVA 3 44.898 26.059 30.007 25 H CYS 4 H CYS 4 41.423 24.096 28.682 26 HA CYS 4 HA CYS 4 38.700 24.042 29.668 27 HB2 CYS 4 HB2 CYS 4 38.917 26.309 28.920 28 HB3 CYS 4 HB1 CYS 4 39.162 25.849 27.265 29 H ILE 5 H ILE 5 37.440 22.610 28.917 30 HA ILE 5 HA ILE 5 38.614 20.559 27.134 31 HB ILE 5 HB ILE 5 36.064 20.270 28.685 32 HG12 ILE 5 2HG1 ILE 5 37.765 20.452 30.310 33 HG13 ILE 5 1HG1 ILE 5 37.250 18.817 30.128 34 HG21 ILE 5 1HG2 ILE 5 36.468 17.749 28.346 35 HG22 ILE 5 2HG2 ILE 5 37.805 18.227 27.242 36 HG23 ILE 5 3HG2 ILE 5 36.098 18.596 26.926 37 HD11 ILE 5 HD1 ILE 5 39.744 18.921 30.486 38 HD12 ILE 5 HD2 ILE 5 39.894 19.946 29.019 39 HD13 ILE 5 HD3 ILE 5 39.326 18.286 28.958 40 HA PRO 6 HA PRO 6 36.289 22.386 24.045 41 HB2 PRO 6 HB2 PRO 6 36.980 20.051 22.324 42 HB3 PRO 6 HB1 PRO 6 37.402 21.840 22.062 43 HG2 PRO 6 HG2 PRO 6 39.290 20.142 22.791 44 HG3 PRO 6 HG1 PRO 6 39.183 21.795 23.496 45 HD2 PRO 6 HD2 PRO 6 38.335 19.244 24.826 46 HD3 PRO 6 HD1 PRO 6 39.312 20.637 25.298 47 HA DPR 7 HA DPR 7 32.910 19.640 22.590 48 HB2 DPR 7 HB1 DPR 7 30.958 21.659 22.558 49 HB3 DPR 7 HB2 DPR 7 31.797 21.126 21.096 50 HG2 DPR 7 HG1 DPR 7 32.397 23.542 22.642 51 HG3 DPR 7 HG2 DPR 7 32.666 23.271 20.907 52 HD2 DPR 7 HD1 DPR 7 34.560 23.360 22.785 53 HD3 DPR 7 HD2 DPR 7 34.887 22.335 21.442 54 H GLU 8 H GLU 8 31.388 18.797 23.885 55 HA GLU 8 HA GLU 8 30.055 20.026 26.087 56 HB2 GLU 8 HB2 GLU 8 29.075 18.069 24.724 57 HB3 GLU 8 HB1 GLU 8 30.429 17.111 25.254 58 HG2 GLU 8 HG2 GLU 8 29.822 17.160 27.506 59 HG3 GLU 8 HG1 GLU 8 28.713 18.462 27.277 60 H DLY 9 H DLY 9 31.300 20.908 27.718 61 HA DLY 9 HA DLY 9 33.679 19.823 28.401 62 HB2 DLY 9 HB1 DLY 9 33.210 19.223 30.796 63 HB3 DLY 9 HB2 DLY 9 32.695 18.122 29.615 64 HG2 DLY 9 HG1 DLY 9 30.456 18.732 29.681 65 HG3 DLY 9 HG2 DLY 9 30.780 20.156 30.646 66 HD2 DLY 9 HD1 DLY 9 31.299 18.997 32.646 67 HD3 DLY 9 HD2 DLY 9 31.373 17.388 31.991 68 HE2 DLY 9 HE1 DLY 9 28.874 17.640 31.308 69 HE3 DLY 9 HE2 DLY 9 29.015 19.195 32.128 70 HZ1 DLY 9 HZ1 DLY 9 28.152 17.660 33.608 71 HZ2 DLY 9 HZ2 DLY 9 29.734 17.966 34.078 72 HZ3 DLY 9 HZ3 DLY 9 29.274 16.533 33.332 73 H VAL 10 H VAL 10 34.649 21.387 29.928 74 HA VAL 10 HA VAL 10 33.359 23.956 30.507 75 HB VAL 10 HB VAL 10 34.020 23.773 32.908 76 HG11 VAL 10 1HG1 VAL 10 31.716 23.461 32.354 77 HG12 VAL 10 2HG1 VAL 10 32.003 22.343 33.648 78 HG13 VAL 10 3HG1 VAL 10 32.048 21.661 32.080 79 HG21 VAL 10 1HG2 VAL 10 34.548 22.038 34.042 80 HG22 VAL 10 2HG2 VAL 10 35.666 21.888 32.660 81 HG23 VAL 10 3HG2 VAL 10 34.313 20.840 32.648 82 H CYS 11 H CYS 11 34.560 25.465 31.174 83 HA CYS 11 HA CYS 11 37.482 25.230 30.815 84 HB2 CYS 11 HB2 CYS 11 36.057 27.798 30.898 85 HB3 CYS 11 HB1 CYS 11 37.706 27.444 30.354 86 H DGL 12 H DGU 12 38.912 26.123 32.431 87 HA DGL 12 HA DGU 12 37.641 26.045 35.061 88 HB2 DGL 12 HB1 DGU 12 39.160 28.521 34.275 89 HB3 DGL 12 HB2 DGU 12 38.501 28.070 35.870 90 HG2 DGL 12 HG1 DGU 12 36.277 28.075 34.976 91 HG3 DGL 12 HG2 DGU 12 36.849 28.726 33.454 Start of MODEL 4 1 H1 HIS 1 H1 HIS 1 38.970 24.653 36.279 2 HA HIS 1 HA HIS 1 41.656 25.690 36.484 3 HB2 HIS 1 HB2 HIS 1 40.518 24.731 38.449 4 HB3 HIS 1 HB1 HIS 1 40.347 23.127 37.645 5 HD1 HIS 1 HD1 HIS 1 43.019 21.920 37.313 6 HD2 HIS 1 HD2 HIS 1 42.502 25.205 39.860 7 HE1 HIS 1 HE1 HIS 1 45.036 21.982 38.813 8 HE2 HIS 1 HE2 HIS 1 44.682 24.023 40.429 9 HA DPR 2 HA DPR 2 43.791 22.370 34.561 10 HB2 DPR 2 HB1 DPR 2 45.685 24.485 33.738 11 HB3 DPR 2 HB2 DPR 2 46.156 22.990 34.461 12 HG2 DPR 2 HG1 DPR 2 46.262 25.137 36.029 13 HG3 DPR 2 HG2 DPR 2 45.485 23.662 36.597 14 HD2 DPR 2 HD1 DPR 2 44.096 25.987 35.227 15 HD3 DPR 2 HD2 DPR 2 43.718 25.409 36.787 16 H DVA 3 H DVA 3 42.273 24.666 32.981 17 HA DVA 3 HA DVA 3 43.059 23.765 30.145 18 HB DVA 3 HB DVA 3 43.037 25.788 29.286 19 HG11 DVA 3 1HG1 DVA 3 42.448 27.938 30.424 20 HG12 DVA 3 2HG1 DVA 3 41.862 27.057 31.825 21 HG13 DVA 3 3HG1 DVA 3 41.064 26.851 30.254 22 HG21 DVA 3 1HG2 DVA 3 45.007 25.365 30.490 23 HG22 DVA 3 2HG2 DVA 3 44.281 26.126 31.950 24 HG23 DVA 3 3HG2 DVA 3 44.629 27.053 30.408 25 H CYS 4 H CYS 4 41.418 23.351 28.853 26 HA CYS 4 HA CYS 4 38.680 23.762 29.706 27 HB2 CYS 4 HB2 CYS 4 39.294 25.940 28.720 28 HB3 CYS 4 HB1 CYS 4 39.640 25.129 27.195 29 H ILE 5 H ILE 5 37.417 22.313 28.767 30 HA ILE 5 HA ILE 5 38.303 20.263 26.886 31 HB ILE 5 HB ILE 5 35.975 20.281 28.748 32 HG12 ILE 5 2HG1 ILE 5 37.883 20.444 30.008 33 HG13 ILE 5 1HG1 ILE 5 37.260 18.830 30.202 34 HG21 ILE 5 1HG2 ILE 5 37.355 18.265 26.778 35 HG22 ILE 5 2HG2 ILE 5 35.792 18.933 26.718 36 HG23 ILE 5 3HG2 ILE 5 36.158 17.742 28.043 37 HD11 ILE 5 HD1 ILE 5 39.660 18.647 30.026 38 HD12 ILE 5 HD2 ILE 5 39.641 19.621 28.451 39 HD13 ILE 5 HD3 ILE 5 38.970 17.969 28.577 40 HA PRO 6 HA PRO 6 35.737 22.934 24.344 41 HB2 PRO 6 HB2 PRO 6 35.997 21.626 21.959 42 HB3 PRO 6 HB1 PRO 6 37.233 22.708 22.553 43 HG2 PRO 6 HG2 PRO 6 37.022 19.694 22.761 44 HG3 PRO 6 HG1 PRO 6 38.562 20.608 22.434 45 HD2 PRO 6 HD2 PRO 6 38.030 19.797 24.924 46 HD3 PRO 6 HD1 PRO 6 38.827 21.384 24.562 47 HA DPR 7 HA DPR 7 32.428 20.422 22.475 48 HB2 DPR 7 HB1 DPR 7 30.428 22.288 22.519 49 HB3 DPR 7 HB2 DPR 7 31.531 21.913 21.165 50 HG2 DPR 7 HG1 DPR 7 31.768 24.048 23.342 51 HG3 DPR 7 HG2 DPR 7 32.043 24.334 21.623 52 HD2 DPR 7 HD1 DPR 7 34.046 23.960 23.408 53 HD3 DPR 7 HD2 DPR 7 34.054 23.112 21.765 54 H GLU 8 H GLU 8 32.305 18.972 23.920 55 HA GLU 8 HA GLU 8 30.279 19.140 26.011 56 HB2 GLU 8 HB2 GLU 8 30.181 17.396 24.219 57 HB3 GLU 8 HB1 GLU 8 31.690 16.826 24.889 58 HG2 GLU 8 HG2 GLU 8 30.740 16.475 27.112 59 HG3 GLU 8 HG1 GLU 8 29.133 16.886 26.413 60 H DLY 9 H DLY 9 31.460 20.451 27.251 61 HA DLY 9 HA DLY 9 33.818 19.529 28.738 62 HB2 DLY 9 HB1 DLY 9 32.551 19.729 30.817 63 HB3 DLY 9 HB2 DLY 9 32.324 18.186 29.916 64 HG2 DLY 9 HG1 DLY 9 30.169 18.754 29.162 65 HG3 DLY 9 HG2 DLY 9 30.277 20.373 29.993 66 HD2 DLY 9 HD1 DLY 9 30.503 19.292 32.168 67 HD3 DLY 9 HD2 DLY 9 30.351 17.688 31.381 68 HE2 DLY 9 HE1 DLY 9 28.128 18.412 30.589 69 HE3 DLY 9 HE2 DLY 9 28.187 19.889 31.494 70 HZ1 DLY 9 HZ1 DLY 9 28.314 17.274 32.689 71 HZ2 DLY 9 HZ2 DLY 9 27.036 18.163 32.657 72 HZ3 DLY 9 HZ3 DLY 9 28.279 18.721 33.565 73 H VAL 10 H VAL 10 34.463 21.193 30.288 74 HA VAL 10 HA VAL 10 33.421 23.917 29.699 75 HB VAL 10 HB VAL 10 33.353 24.343 32.100 76 HG11 VAL 10 1HG1 VAL 10 31.398 23.274 32.796 77 HG12 VAL 10 2HG1 VAL 10 31.616 21.866 31.778 78 HG13 VAL 10 3HG1 VAL 10 31.184 23.476 31.070 79 HG21 VAL 10 1HG2 VAL 10 33.926 21.398 32.450 80 HG22 VAL 10 2HG2 VAL 10 33.584 22.620 33.779 81 HG23 VAL 10 3HG2 VAL 10 35.000 22.768 32.973 82 H CYS 11 H CYS 11 34.698 25.727 30.324 83 HA CYS 11 HA CYS 11 37.624 25.234 30.499 84 HB2 CYS 11 HB2 CYS 11 36.120 27.801 30.313 85 HB3 CYS 11 HB1 CYS 11 37.868 27.462 30.307 86 H DGL 12 H DGU 12 38.810 25.591 32.343 87 HA DGL 12 HA DGU 12 37.556 25.484 34.842 88 HB2 DGL 12 HB1 DGU 12 38.034 27.697 35.738 89 HB3 DGL 12 HB2 DGU 12 36.748 27.542 34.594 90 HG2 DGL 12 HG1 DGU 12 38.598 28.376 32.801 91 HG3 DGL 12 HG2 DGU 12 39.437 28.897 34.297 Start of MODEL 5 1 H1 HIS 1 H1 HIS 1 39.087 25.346 35.594 2 HA HIS 1 HA HIS 1 41.762 26.660 36.179 3 HB2 HIS 1 HB2 HIS 1 40.320 24.708 37.925 4 HB3 HIS 1 HB1 HIS 1 41.857 25.545 38.223 5 HD1 HIS 1 HD1 HIS 1 41.920 27.954 38.916 6 HD2 HIS 1 HD2 HIS 1 38.184 26.193 38.192 7 HE1 HIS 1 HE1 HIS 1 40.164 29.521 40.074 8 HE2 HIS 1 HE2 HIS 1 37.852 28.469 39.505 9 HA DPR 2 HA DPR 2 43.612 22.529 35.113 10 HB2 DPR 2 HB1 DPR 2 45.811 23.427 34.058 11 HB3 DPR 2 HB2 DPR 2 45.487 23.781 35.800 12 HG2 DPR 2 HG1 DPR 2 45.044 25.735 33.471 13 HG3 DPR 2 HG2 DPR 2 45.962 25.975 34.990 14 HD2 DPR 2 HD1 DPR 2 43.293 26.657 34.795 15 HD3 DPR 2 HD2 DPR 2 43.835 26.025 36.266 16 H DVA 3 H DVA 3 42.228 24.601 33.105 17 HA DVA 3 HA DVA 3 42.778 23.036 30.606 18 HB DVA 3 HB DVA 3 42.611 25.253 29.347 19 HG11 DVA 3 1HG1 DVA 3 43.038 27.307 30.437 20 HG12 DVA 3 2HG1 DVA 3 42.907 26.616 32.068 21 HG13 DVA 3 3HG1 DVA 3 41.481 26.654 30.986 22 HG21 DVA 3 1HG2 DVA 3 44.828 24.094 29.712 23 HG22 DVA 3 2HG2 DVA 3 44.988 24.853 31.266 24 HG23 DVA 3 3HG2 DVA 3 44.911 25.831 29.818 25 H CYS 4 H CYS 4 41.399 22.968 28.864 26 HA CYS 4 HA CYS 4 38.555 23.417 29.438 27 HB2 CYS 4 HB2 CYS 4 39.511 25.583 28.611 28 HB3 CYS 4 HB1 CYS 4 39.747 24.751 27.066 29 H ILE 5 H ILE 5 37.108 22.280 28.241 30 HA ILE 5 HA ILE 5 38.106 20.234 26.264 31 HB ILE 5 HB ILE 5 35.708 20.232 27.991 32 HG12 ILE 5 2HG1 ILE 5 37.437 19.894 29.596 33 HG13 ILE 5 1HG1 ILE 5 36.710 18.404 29.135 34 HG21 ILE 5 1HG2 ILE 5 37.068 18.207 26.078 35 HG22 ILE 5 2HG2 ILE 5 35.418 19.025 25.967 36 HG23 ILE 5 3HG2 ILE 5 35.705 17.905 27.220 37 HD11 ILE 5 HD1 ILE 5 39.307 19.218 28.013 38 HD12 ILE 5 HD2 ILE 5 38.468 17.701 27.767 39 HD13 ILE 5 HD3 ILE 5 39.096 17.995 29.391 40 HA PRO 6 HA PRO 6 35.348 23.330 24.059 41 HB2 PRO 6 HB2 PRO 6 36.543 22.102 21.661 42 HB3 PRO 6 HB1 PRO 6 36.140 23.758 21.991 43 HG2 PRO 6 HG2 PRO 6 38.618 22.791 22.182 44 HG3 PRO 6 HG1 PRO 6 38.125 23.968 23.499 45 HD2 PRO 6 HD2 PRO 6 38.184 20.949 23.475 46 HD3 PRO 6 HD1 PRO 6 38.940 22.083 24.681 47 HA DPR 7 HA DPR 7 32.909 20.020 22.046 48 HB2 DPR 7 HB1 DPR 7 30.822 21.492 20.921 49 HB3 DPR 7 HB2 DPR 7 32.487 21.344 20.137 50 HG2 DPR 7 HG1 DPR 7 31.387 23.449 22.053 51 HG3 DPR 7 HG2 DPR 7 32.033 23.738 20.387 52 HD2 DPR 7 HD1 DPR 7 33.422 23.887 22.785 53 HD3 DPR 7 HD2 DPR 7 34.283 23.406 21.312 54 H GLU 8 H GLU 8 32.734 19.666 24.369 55 HA GLU 8 HA GLU 8 30.774 21.153 25.922 56 HB2 GLU 8 HB2 GLU 8 29.192 19.455 26.350 57 HB3 GLU 8 HB1 GLU 8 29.196 19.735 24.735 58 HG2 GLU 8 HG2 GLU 8 30.810 17.551 24.616 59 HG3 GLU 8 HG1 GLU 8 30.328 17.268 26.209 60 H DLY 9 H DLY 9 31.297 20.972 27.961 61 HA DLY 9 HA DLY 9 33.320 19.038 28.791 62 HB2 DLY 9 HB1 DLY 9 32.038 18.512 30.726 63 HB3 DLY 9 HB2 DLY 9 30.867 18.534 29.392 64 HG2 DLY 9 HG1 DLY 9 30.132 20.767 30.591 65 HG3 DLY 9 HG2 DLY 9 31.348 20.433 31.770 66 HD2 DLY 9 HD1 DLY 9 29.504 19.566 32.756 67 HD3 DLY 9 HD2 DLY 9 30.353 18.130 32.122 68 HE2 DLY 9 HE1 DLY 9 28.751 18.110 30.217 69 HE3 DLY 9 HE2 DLY 9 27.958 19.502 30.925 70 HZ1 DLY 9 HZ1 DLY 9 26.758 17.572 31.670 71 HZ2 DLY 9 HZ2 DLY 9 27.676 18.023 32.956 72 HZ3 DLY 9 HZ3 DLY 9 28.211 16.823 31.947 73 H VAL 10 H VAL 10 34.024 19.574 31.117 74 HA VAL 10 HA VAL 10 33.666 22.042 32.201 75 HB VAL 10 HB VAL 10 35.544 21.469 33.811 76 HG11 VAL 10 1HG1 VAL 10 33.149 20.910 34.151 77 HG12 VAL 10 2HG1 VAL 10 34.172 19.465 34.591 78 HG13 VAL 10 3HG1 VAL 10 33.343 19.495 33.098 79 HG21 VAL 10 1HG2 VAL 10 36.484 19.221 33.790 80 HG22 VAL 10 2HG2 VAL 10 37.124 20.242 32.541 81 HG23 VAL 10 3HG2 VAL 10 35.947 19.058 32.143 82 H CYS 11 H CYS 11 35.069 23.816 32.553 83 HA CYS 11 HA CYS 11 37.535 24.199 31.183 84 HB2 CYS 11 HB2 CYS 11 35.431 24.706 29.513 85 HB3 CYS 11 HB1 CYS 11 35.056 25.942 30.498 86 H DGL 12 H DGU 12 38.772 25.748 32.037 87 HA DGL 12 HA DGU 12 37.712 26.994 34.487 88 HB2 DGL 12 HB1 DGU 12 39.214 28.413 32.287 89 HB3 DGL 12 HB2 DGU 12 39.202 29.071 33.857 90 HG2 DGL 12 HG1 DGU 12 36.567 28.500 33.705 91 HG3 DGL 12 HG2 DGU 12 36.869 28.639 31.952 Start of MODEL 6 1 H1 HIS 1 H1 HIS 1 39.126 24.627 35.928 2 HA HIS 1 HA HIS 1 41.698 26.140 36.256 3 HB2 HIS 1 HB2 HIS 1 40.511 24.100 38.171 4 HB3 HIS 1 HB1 HIS 1 42.016 25.057 38.365 5 HD1 HIS 1 HD1 HIS 1 41.462 27.800 38.454 6 HD2 HIS 1 HD2 HIS 1 38.309 25.082 39.162 7 HE1 HIS 1 HE1 HIS 1 39.713 29.086 39.790 8 HE2 HIS 1 HE2 HIS 1 37.710 27.565 40.014 9 HA DPR 2 HA DPR 2 43.628 22.348 35.210 10 HB2 DPR 2 HB1 DPR 2 45.620 24.040 33.544 11 HB3 DPR 2 HB2 DPR 2 45.881 22.872 34.873 12 HG2 DPR 2 HG1 DPR 2 45.941 25.634 35.064 13 HG3 DPR 2 HG2 DPR 2 45.779 24.469 36.390 14 HD2 DPR 2 HD1 DPR 2 43.697 26.275 35.018 15 HD3 DPR 2 HD2 DPR 2 43.836 25.718 36.652 16 H DVA 3 H DVA 3 42.318 24.634 32.870 17 HA DVA 3 HA DVA 3 42.807 22.763 30.707 18 HB DVA 3 HB DVA 3 43.173 24.587 29.335 19 HG11 DVA 3 1HG1 DVA 3 42.903 26.962 30.084 20 HG12 DVA 3 2HG1 DVA 3 42.472 26.352 31.673 21 HG13 DVA 3 3HG1 DVA 3 41.295 26.205 30.511 22 HG21 DVA 3 1HG2 DVA 3 45.127 24.135 30.675 23 HG22 DVA 3 2HG2 DVA 3 44.546 25.151 31.964 24 HG23 DVA 3 3HG2 DVA 3 44.936 25.916 30.487 25 H CYS 4 H CYS 4 41.295 22.999 28.876 26 HA CYS 4 HA CYS 4 38.460 23.295 29.563 27 HB2 CYS 4 HB2 CYS 4 39.448 25.621 29.011 28 HB3 CYS 4 HB1 CYS 4 39.495 25.010 27.378 29 H ILE 5 H ILE 5 37.309 21.896 28.515 30 HA ILE 5 HA ILE 5 38.350 20.757 25.932 31 HB ILE 5 HB ILE 5 36.105 19.728 27.632 32 HG12 ILE 5 2HG1 ILE 5 38.118 19.448 29.013 33 HG13 ILE 5 1HG1 ILE 5 37.750 17.905 28.258 34 HG21 ILE 5 1HG2 ILE 5 37.699 18.196 25.485 35 HG22 ILE 5 2HG2 ILE 5 36.180 19.037 25.245 36 HG23 ILE 5 3HG2 ILE 5 36.245 17.673 26.349 37 HD11 ILE 5 HD1 ILE 5 39.886 19.805 27.486 38 HD12 ILE 5 HD2 ILE 5 39.520 18.384 26.577 39 HD13 ILE 5 HD3 ILE 5 40.044 18.117 28.213 40 HA PRO 6 HA PRO 6 34.919 23.394 24.228 41 HB2 PRO 6 HB2 PRO 6 35.966 22.214 21.657 42 HB3 PRO 6 HB1 PRO 6 35.526 23.897 21.964 43 HG2 PRO 6 HG2 PRO 6 38.075 23.164 21.852 44 HG3 PRO 6 HG1 PRO 6 37.576 24.326 23.066 45 HD2 PRO 6 HD2 PRO 6 38.255 21.395 23.495 46 HD3 PRO 6 HD1 PRO 6 38.470 22.690 24.607 47 HA DPR 7 HA DPR 7 32.545 20.206 22.134 48 HB2 DPR 7 HB1 DPR 7 30.304 21.465 21.479 49 HB3 DPR 7 HB2 DPR 7 31.946 21.940 20.725 50 HG2 DPR 7 HG1 DPR 7 30.541 23.212 23.215 51 HG3 DPR 7 HG2 DPR 7 31.224 24.057 21.763 52 HD2 DPR 7 HD1 DPR 7 32.571 23.710 23.984 53 HD3 DPR 7 HD2 DPR 7 33.344 23.793 22.359 54 H GLU 8 H GLU 8 33.059 19.646 24.467 55 HA GLU 8 HA GLU 8 31.154 20.384 26.386 56 HB2 GLU 8 HB2 GLU 8 30.427 18.024 27.047 57 HB3 GLU 8 HB1 GLU 8 29.655 18.887 25.713 58 HG2 GLU 8 HG2 GLU 8 30.745 17.599 23.988 59 HG3 GLU 8 HG1 GLU 8 31.615 16.801 25.252 60 H DLY 9 H DLY 9 32.021 20.302 28.481 61 HA DLY 9 HA DLY 9 34.225 18.525 29.083 62 HB2 DLY 9 HB1 DLY 9 33.146 17.263 30.686 63 HB3 DLY 9 HB2 DLY 9 32.198 17.109 29.158 64 HG2 DLY 9 HG1 DLY 9 30.600 18.882 30.251 65 HG3 DLY 9 HG2 DLY 9 31.476 18.521 31.710 66 HD2 DLY 9 HD1 DLY 9 29.649 17.025 31.735 67 HD3 DLY 9 HD2 DLY 9 30.896 15.994 31.060 68 HE2 DLY 9 HE1 DLY 9 29.966 16.515 28.647 69 HE3 DLY 9 HE2 DLY 9 29.011 17.756 29.498 70 HZ1 DLY 9 HZ1 DLY 9 27.745 15.971 28.960 71 HZ2 DLY 9 HZ2 DLY 9 27.685 16.416 30.515 72 HZ3 DLY 9 HZ3 DLY 9 28.441 15.034 30.079 73 H VAL 10 H VAL 10 35.237 18.724 30.847 74 HA VAL 10 HA VAL 10 34.779 20.780 32.838 75 HB VAL 10 HB VAL 10 37.091 20.304 33.622 76 HG11 VAL 10 1HG1 VAL 10 35.022 18.843 33.993 77 HG12 VAL 10 2HG1 VAL 10 36.614 18.233 34.411 78 HG13 VAL 10 3HG1 VAL 10 35.839 17.690 32.889 79 HG21 VAL 10 1HG2 VAL 10 38.622 18.820 32.507 80 HG22 VAL 10 2HG2 VAL 10 38.224 20.010 31.328 81 HG23 VAL 10 3HG2 VAL 10 37.343 18.534 31.246 82 H CYS 11 H CYS 11 35.294 22.863 32.806 83 HA CYS 11 HA CYS 11 37.475 23.873 31.172 84 HB2 CYS 11 HB2 CYS 11 35.389 24.036 29.844 85 HB3 CYS 11 HB1 CYS 11 34.761 25.121 31.048 86 H DGL 12 H DGU 12 38.551 25.414 32.185 87 HA DGL 12 HA DGU 12 37.555 26.061 34.863 88 HB2 DGL 12 HB1 DGU 12 38.937 27.930 32.921 89 HB3 DGL 12 HB2 DGU 12 38.617 28.354 34.609 90 HG2 DGL 12 HG1 DGU 12 36.317 28.253 34.095 91 HG3 DGL 12 HG2 DGU 12 36.529 27.930 32.345 Start of MODEL 7 1 H1 HIS 1 H1 HIS 1 38.584 26.359 35.813 2 HA HIS 1 HA HIS 1 41.380 26.810 36.153 3 HB2 HIS 1 HB2 HIS 1 39.299 25.189 37.619 4 HB3 HIS 1 HB1 HIS 1 41.022 25.167 38.085 5 HD1 HIS 1 HD1 HIS 1 41.041 28.515 37.254 6 HD2 HIS 1 HD2 HIS 1 38.918 26.262 40.174 7 HE1 HIS 1 HE1 HIS 1 40.536 30.128 39.053 8 HE2 HIS 1 HE2 HIS 1 39.304 28.779 40.924 9 HA DPR 2 HA DPR 2 42.561 22.456 35.582 10 HB2 DPR 2 HB1 DPR 2 45.255 22.891 35.057 11 HB3 DPR 2 HB2 DPR 2 44.552 23.092 36.680 12 HG2 DPR 2 HG1 DPR 2 45.238 25.201 34.500 13 HG3 DPR 2 HG2 DPR 2 45.465 25.131 36.320 14 HD2 DPR 2 HD1 DPR 2 43.445 26.341 34.696 15 HD3 DPR 2 HD2 DPR 2 43.280 26.051 36.459 16 H DVA 3 H DVA 3 42.013 24.530 32.970 17 HA DVA 3 HA DVA 3 43.086 22.531 30.973 18 HB DVA 3 HB DVA 3 43.551 24.611 29.632 19 HG11 DVA 3 1HG1 DVA 3 43.806 26.028 32.229 20 HG12 DVA 3 2HG1 DVA 3 42.331 26.116 31.503 21 HG13 DVA 3 3HG1 DVA 3 43.808 26.692 30.571 22 HG21 DVA 3 1HG2 DVA 3 45.778 25.210 30.578 23 HG22 DVA 3 2HG2 DVA 3 45.453 23.538 30.380 24 HG23 DVA 3 3HG2 DVA 3 45.245 24.303 32.055 25 H CYS 4 H CYS 4 41.908 22.679 28.968 26 HA CYS 4 HA CYS 4 39.202 23.534 29.238 27 HB2 CYS 4 HB2 CYS 4 40.865 25.356 28.364 28 HB3 CYS 4 HB1 CYS 4 40.898 24.517 26.978 29 H ILE 5 H ILE 5 37.738 22.350 28.220 30 HA ILE 5 HA ILE 5 38.368 20.975 25.695 31 HB ILE 5 HB ILE 5 36.724 19.990 28.020 32 HG12 ILE 5 2HG1 ILE 5 39.036 19.665 28.430 33 HG13 ILE 5 1HG1 ILE 5 38.343 18.053 28.220 34 HG21 ILE 5 1HG2 ILE 5 37.145 19.043 25.125 35 HG22 ILE 5 2HG2 ILE 5 35.636 19.279 25.963 36 HG23 ILE 5 3HG2 ILE 5 36.671 17.916 26.413 37 HD11 ILE 5 HD1 ILE 5 40.551 18.118 27.259 38 HD12 ILE 5 HD2 ILE 5 40.049 19.517 26.272 39 HD13 ILE 5 HD3 ILE 5 39.360 17.913 25.979 40 HA PRO 6 HA PRO 6 34.867 23.736 25.401 41 HB2 PRO 6 HB2 PRO 6 35.225 24.259 22.578 42 HB3 PRO 6 HB1 PRO 6 35.667 25.311 23.933 43 HG2 PRO 6 HG2 PRO 6 37.477 23.731 22.223 44 HG3 PRO 6 HG1 PRO 6 37.883 24.827 23.433 45 HD2 PRO 6 HD2 PRO 6 37.895 21.880 23.597 46 HD3 PRO 6 HD1 PRO 6 38.441 23.227 24.723 47 HA DPR 7 HA DPR 7 31.835 21.380 22.676 48 HB2 DPR 7 HB1 DPR 7 29.732 22.335 23.936 49 HB3 DPR 7 HB2 DPR 7 30.393 23.162 22.482 50 HG2 DPR 7 HG1 DPR 7 30.652 24.142 25.269 51 HG3 DPR 7 HG2 DPR 7 30.609 25.048 23.850 52 HD2 DPR 7 HD1 DPR 7 32.864 24.326 25.133 53 HD3 DPR 7 HD2 DPR 7 32.870 24.773 23.348 54 H GLU 8 H GLU 8 31.295 19.321 23.516 55 HA GLU 8 HA GLU 8 30.282 19.228 26.145 56 HB2 GLU 8 HB2 GLU 8 31.163 16.952 24.211 57 HB3 GLU 8 HB1 GLU 8 30.391 16.692 25.714 58 HG2 GLU 8 HG2 GLU 8 28.465 18.260 24.786 59 HG3 GLU 8 HG1 GLU 8 29.101 17.890 23.242 60 H DLY 9 H DLY 9 31.315 19.555 27.796 61 HA DLY 9 HA DLY 9 34.286 19.020 28.319 62 HB2 DLY 9 HB1 DLY 9 33.958 18.078 30.293 63 HB3 DLY 9 HB2 DLY 9 33.376 16.974 29.080 64 HG2 DLY 9 HG1 DLY 9 31.091 17.636 29.736 65 HG3 DLY 9 HG2 DLY 9 31.553 18.793 30.836 66 HD2 DLY 9 HD1 DLY 9 30.811 16.645 31.869 67 HD3 DLY 9 HD2 DLY 9 32.432 17.121 32.390 68 HE2 DLY 9 HE1 DLY 9 32.043 14.660 31.949 69 HE3 DLY 9 HE2 DLY 9 33.377 15.276 31.035 70 HZ1 DLY 9 HZ1 DLY 9 32.017 15.233 29.075 71 HZ2 DLY 9 HZ2 DLY 9 30.640 15.281 29.899 72 HZ3 DLY 9 HZ3 DLY 9 31.622 13.930 29.873 73 H VAL 10 H VAL 10 35.091 20.106 29.964 74 HA VAL 10 HA VAL 10 33.695 22.477 30.637 75 HB VAL 10 HB VAL 10 34.713 22.333 33.070 76 HG11 VAL 10 1HG1 VAL 10 32.391 22.240 32.787 77 HG12 VAL 10 2HG1 VAL 10 33.024 21.287 34.108 78 HG13 VAL 10 3HG1 VAL 10 32.472 20.435 32.636 79 HG21 VAL 10 1HG2 VAL 10 35.502 20.320 33.860 80 HG22 VAL 10 2HG2 VAL 10 36.209 20.377 32.396 81 HG23 VAL 10 3HG2 VAL 10 34.656 19.375 32.525 82 H CYS 11 H CYS 11 34.978 24.190 31.200 83 HA CYS 11 HA CYS 11 37.897 24.114 30.752 84 HB2 CYS 11 HB2 CYS 11 36.602 24.847 28.629 85 HB3 CYS 11 HB1 CYS 11 35.751 26.006 29.595 86 H DGL 12 H DGU 12 39.140 25.771 31.747 87 HA DGL 12 HA DGU 12 37.715 27.384 33.847 88 HB2 DGL 12 HB1 DGU 12 39.591 28.394 31.734 89 HB3 DGL 12 HB2 DGU 12 39.062 29.295 33.129 90 HG2 DGL 12 HG1 DGU 12 36.731 28.947 32.357 91 HG3 DGL 12 HG2 DGU 12 37.409 28.283 30.793 Start of MODEL 8 1 H1 HIS 1 H1 HIS 1 39.507 25.272 35.355 2 HA HIS 1 HA HIS 1 42.010 26.926 35.292 3 HB2 HIS 1 HB2 HIS 1 40.688 25.954 37.792 4 HB3 HIS 1 HB1 HIS 1 42.378 26.382 37.649 5 HD1 HIS 1 HD1 HIS 1 42.806 29.168 37.258 6 HD2 HIS 1 HD2 HIS 1 38.944 27.788 38.412 7 HE1 HIS 1 HE1 HIS 1 41.451 31.143 37.928 8 HE2 HIS 1 HE2 HIS 1 39.155 30.312 38.711 9 HA DPR 2 HA DPR 2 43.600 22.663 35.389 10 HB2 DPR 2 HB1 DPR 2 46.145 23.319 34.226 11 HB3 DPR 2 HB2 DPR 2 45.696 23.363 35.984 12 HG2 DPR 2 HG1 DPR 2 45.648 25.495 33.791 13 HG3 DPR 2 HG2 DPR 2 46.446 25.721 35.371 14 HD2 DPR 2 HD1 DPR 2 43.978 26.724 34.907 15 HD3 DPR 2 HD2 DPR 2 44.318 26.038 36.448 16 H DVA 3 H DVA 3 42.248 24.633 32.989 17 HA DVA 3 HA DVA 3 42.944 22.708 31.018 18 HB DVA 3 HB DVA 3 43.111 24.623 29.260 19 HG11 DVA 3 1HG1 DVA 3 43.600 26.314 31.745 20 HG12 DVA 3 2HG1 DVA 3 42.208 26.382 30.695 21 HG13 DVA 3 3HG1 DVA 3 43.777 26.827 29.985 22 HG21 DVA 3 1HG2 DVA 3 45.283 24.429 31.356 23 HG22 DVA 3 2HG2 DVA 3 45.513 25.010 29.802 24 HG23 DVA 3 3HG2 DVA 3 44.833 23.339 29.949 25 H CYS 4 H CYS 4 41.311 22.728 29.023 26 HA CYS 4 HA CYS 4 38.710 23.404 29.819 27 HB2 CYS 4 HB2 CYS 4 39.742 25.472 29.036 28 HB3 CYS 4 HB1 CYS 4 40.144 24.900 27.435 29 H ILE 5 H ILE 5 37.194 22.496 28.487 30 HA ILE 5 HA ILE 5 38.128 20.414 26.634 31 HB ILE 5 HB ILE 5 35.781 19.820 28.418 32 HG12 ILE 5 2HG1 ILE 5 38.648 19.151 28.901 33 HG13 ILE 5 1HG1 ILE 5 37.608 20.040 29.898 34 HG21 ILE 5 1HG2 ILE 5 36.030 17.588 27.355 35 HG22 ILE 5 2HG2 ILE 5 37.506 18.224 26.576 36 HG23 ILE 5 3HG2 ILE 5 35.847 18.822 26.177 37 HD11 ILE 5 HD1 ILE 5 37.583 17.856 30.793 38 HD12 ILE 5 HD2 ILE 5 37.298 17.071 29.213 39 HD13 ILE 5 HD3 ILE 5 36.002 17.928 29.920 40 HA PRO 6 HA PRO 6 35.671 23.379 24.496 41 HB2 PRO 6 HB2 PRO 6 36.193 22.540 21.881 42 HB3 PRO 6 HB1 PRO 6 37.276 23.561 22.940 43 HG2 PRO 6 HG2 PRO 6 37.634 20.672 22.386 44 HG3 PRO 6 HG1 PRO 6 38.816 22.003 22.507 45 HD2 PRO 6 HD2 PRO 6 38.521 20.526 24.768 46 HD3 PRO 6 HD1 PRO 6 38.594 22.233 24.784 47 HA DPR 7 HA DPR 7 32.720 21.014 21.749 48 HB2 DPR 7 HB1 DPR 7 30.755 22.797 21.384 49 HB3 DPR 7 HB2 DPR 7 32.316 22.938 20.640 50 HG2 DPR 7 HG1 DPR 7 31.391 24.540 23.170 51 HG3 DPR 7 HG2 DPR 7 32.237 24.965 21.621 52 HD2 DPR 7 HD1 DPR 7 33.260 24.090 24.197 53 HD3 DPR 7 HD2 DPR 7 34.187 24.359 22.648 54 H GLU 8 H GLU 8 32.898 20.003 24.046 55 HA GLU 8 HA GLU 8 30.522 20.430 25.744 56 HB2 GLU 8 HB2 GLU 8 30.377 18.370 23.932 57 HB3 GLU 8 HB1 GLU 8 31.174 17.529 25.216 58 HG2 GLU 8 HG2 GLU 8 29.519 18.358 26.904 59 HG3 GLU 8 HG1 GLU 8 28.618 19.143 25.552 60 H DLY 9 H DLY 9 30.845 20.041 27.870 61 HA DLY 9 HA DLY 9 33.477 18.949 28.696 62 HB2 DLY 9 HB1 DLY 9 30.692 18.437 29.698 63 HB3 DLY 9 HB2 DLY 9 32.174 18.162 30.725 64 HG2 DLY 9 HG1 DLY 9 33.010 16.511 29.380 65 HG3 DLY 9 HG2 DLY 9 32.054 16.896 27.990 66 HD2 DLY 9 HD1 DLY 9 31.355 15.231 30.255 67 HD3 DLY 9 HD2 DLY 9 31.062 15.019 28.526 68 HE2 DLY 9 HE1 DLY 9 29.343 17.029 28.761 69 HE3 DLY 9 HE2 DLY 9 29.394 16.532 30.502 70 HZ1 DLY 9 HZ1 DLY 9 28.834 14.239 29.185 71 HZ2 DLY 9 HZ2 DLY 9 28.080 15.350 28.245 72 HZ3 DLY 9 HZ3 DLY 9 27.717 15.253 29.700 73 H VAL 10 H VAL 10 34.424 19.853 30.595 74 HA VAL 10 HA VAL 10 33.244 22.311 31.630 75 HB VAL 10 HB VAL 10 35.016 21.983 33.332 76 HG11 VAL 10 1HG1 VAL 10 32.535 21.258 33.628 77 HG12 VAL 10 2HG1 VAL 10 33.780 20.667 34.792 78 HG13 VAL 10 3HG1 VAL 10 33.185 19.610 33.469 79 HG21 VAL 10 1HG2 VAL 10 35.934 19.782 33.776 80 HG22 VAL 10 2HG2 VAL 10 36.467 20.433 32.312 81 HG23 VAL 10 3HG2 VAL 10 35.192 19.095 32.274 82 H CYS 11 H CYS 11 34.725 24.128 32.332 83 HA CYS 11 HA CYS 11 37.178 24.282 30.813 84 HB2 CYS 11 HB2 CYS 11 35.240 24.851 29.235 85 HB3 CYS 11 HB1 CYS 11 35.024 26.278 30.348 86 H DGL 12 H DGU 12 38.588 25.322 32.072 87 HA DGL 12 HA DGU 12 37.759 26.681 34.439 88 HB2 DGL 12 HB1 DGU 12 37.302 28.417 32.691 89 HB3 DGL 12 HB2 DGU 12 38.933 28.191 32.274 90 HG2 DGL 12 HG1 DGU 12 39.838 29.371 34.194 91 HG3 DGL 12 HG2 DGU 12 38.337 28.982 35.099 Start of MODEL 9 1 H1 HIS 1 H1 HIS 1 38.831 26.363 35.511 2 HA HIS 1 HA HIS 1 41.723 26.811 35.991 3 HB2 HIS 1 HB2 HIS 1 39.579 25.369 37.429 4 HB3 HIS 1 HB1 HIS 1 41.271 25.393 38.054 5 HD1 HIS 1 HD1 HIS 1 39.580 28.655 36.868 6 HD2 HIS 1 HD2 HIS 1 40.813 26.484 40.190 7 HE1 HIS 1 HE1 HIS 1 39.063 30.169 38.883 8 HE2 HIS 1 HE2 HIS 1 40.059 28.989 40.879 9 HA DPR 2 HA DPR 2 42.348 22.557 35.468 10 HB2 DPR 2 HB1 DPR 2 45.156 23.180 34.572 11 HB3 DPR 2 HB2 DPR 2 44.542 22.086 35.820 12 HG2 DPR 2 HG1 DPR 2 45.681 24.436 36.142 13 HG3 DPR 2 HG2 DPR 2 44.354 23.913 37.275 14 HD2 DPR 2 HD1 DPR 2 44.271 25.889 35.038 15 HD3 DPR 2 HD2 DPR 2 43.393 25.878 36.624 16 H DVA 3 H DVA 3 41.852 24.455 32.904 17 HA DVA 3 HA DVA 3 42.560 22.547 30.786 18 HB DVA 3 HB DVA 3 43.514 24.210 29.482 19 HG11 DVA 3 1HG1 DVA 3 44.287 26.413 30.355 20 HG12 DVA 3 2HG1 DVA 3 43.430 25.937 31.977 21 HG13 DVA 3 3HG1 DVA 3 42.558 26.306 30.527 22 HG21 DVA 3 1HG2 DVA 3 45.108 24.018 32.067 23 HG22 DVA 3 2HG2 DVA 3 45.638 24.334 30.405 24 HG23 DVA 3 3HG2 DVA 3 44.846 22.791 30.759 25 H CYS 4 H CYS 4 41.633 22.970 28.627 26 HA CYS 4 HA CYS 4 38.774 23.640 29.023 27 HB2 CYS 4 HB2 CYS 4 40.441 25.384 27.614 28 HB3 CYS 4 HB1 CYS 4 39.961 24.285 26.388 29 H ILE 5 H ILE 5 37.555 22.263 28.311 30 HA ILE 5 HA ILE 5 38.453 20.656 25.970 31 HB ILE 5 HB ILE 5 36.662 19.720 28.125 32 HG12 ILE 5 2HG1 ILE 5 39.327 18.687 27.212 33 HG13 ILE 5 1HG1 ILE 5 39.083 19.699 28.556 34 HG21 ILE 5 1HG2 ILE 5 36.519 17.513 26.581 35 HG22 ILE 5 2HG2 ILE 5 37.296 18.510 25.416 36 HG23 ILE 5 3HG2 ILE 5 35.773 19.065 25.980 37 HD11 ILE 5 HD1 ILE 5 39.220 17.456 29.295 38 HD12 ILE 5 HD2 ILE 5 37.940 16.869 28.219 39 HD13 ILE 5 HD3 ILE 5 37.561 18.011 29.600 40 HA PRO 6 HA PRO 6 35.524 23.674 24.749 41 HB2 PRO 6 HB2 PRO 6 36.368 23.187 21.893 42 HB3 PRO 6 HB1 PRO 6 36.360 24.772 22.872 43 HG2 PRO 6 HG2 PRO 6 38.683 23.422 22.388 44 HG3 PRO 6 HG1 PRO 6 38.309 24.354 23.914 45 HD2 PRO 6 HD2 PRO 6 38.318 21.402 23.306 46 HD3 PRO 6 HD1 PRO 6 38.863 22.201 24.734 47 HA DPR 7 HA DPR 7 32.231 21.355 22.615 48 HB2 DPR 7 HB1 DPR 7 30.233 22.924 23.497 49 HB3 DPR 7 HB2 DPR 7 31.134 23.332 22.007 50 HG2 DPR 7 HG1 DPR 7 31.377 24.501 24.737 51 HG3 DPR 7 HG2 DPR 7 31.350 25.348 23.172 52 HD2 DPR 7 HD1 DPR 7 33.561 24.603 24.594 53 HD3 DPR 7 HD2 DPR 7 33.772 24.902 22.887 54 H GLU 8 H GLU 8 31.658 19.699 23.822 55 HA GLU 8 HA GLU 8 30.235 19.990 26.380 56 HB2 GLU 8 HB2 GLU 8 29.519 18.656 24.490 57 HB3 GLU 8 HB1 GLU 8 31.085 17.661 24.688 58 HG2 GLU 8 HG2 GLU 8 30.003 17.074 26.951 59 HG3 GLU 8 HG1 GLU 8 28.619 17.933 26.463 60 H DLY 9 H DLY 9 31.456 19.964 28.179 61 HA DLY 9 HA DLY 9 34.103 18.820 28.492 62 HB2 DLY 9 HB1 DLY 9 31.808 18.272 30.429 63 HB3 DLY 9 HB2 DLY 9 33.420 17.629 30.615 64 HG2 DLY 9 HG1 DLY 9 32.995 16.014 28.674 65 HG3 DLY 9 HG2 DLY 9 31.492 16.832 28.406 66 HD2 DLY 9 HD1 DLY 9 32.021 15.370 30.975 67 HD3 DLY 9 HD2 DLY 9 31.129 14.805 29.459 68 HE2 DLY 9 HE1 DLY 9 29.830 16.956 30.031 69 HE3 DLY 9 HE2 DLY 9 30.576 16.772 31.714 70 HZ1 DLY 9 HZ1 DLY 9 29.066 14.661 30.544 71 HZ2 DLY 9 HZ2 DLY 9 28.398 15.794 31.541 72 HZ3 DLY 9 HZ3 DLY 9 29.500 14.668 32.029 73 H VAL 10 H VAL 10 35.347 19.888 30.071 74 HA VAL 10 HA VAL 10 33.850 21.985 31.504 75 HB VAL 10 HB VAL 10 35.549 21.484 33.358 76 HG11 VAL 10 1HG1 VAL 10 34.128 18.880 32.517 77 HG12 VAL 10 2HG1 VAL 10 33.148 20.172 33.068 78 HG13 VAL 10 3HG1 VAL 10 34.476 19.390 34.096 79 HG21 VAL 10 1HG2 VAL 10 36.813 19.387 33.393 80 HG22 VAL 10 2HG2 VAL 10 37.352 20.430 32.179 81 HG23 VAL 10 3HG2 VAL 10 36.385 19.122 31.646 82 H CYS 11 H CYS 11 34.799 23.876 31.493 83 HA CYS 11 HA CYS 11 37.753 24.274 30.941 84 HB2 CYS 11 HB2 CYS 11 36.115 24.680 29.004 85 HB3 CYS 11 HB1 CYS 11 35.639 26.134 29.847 86 H DGL 12 H DGU 12 38.722 26.068 31.652 87 HA DGL 12 HA DGU 12 37.662 27.090 34.188 88 HB2 DGL 12 HB1 DGU 12 38.862 28.731 31.909 89 HB3 DGL 12 HB2 DGU 12 38.948 29.267 33.574 90 HG2 DGL 12 HG1 DGU 12 36.571 28.993 33.984 91 HG3 DGL 12 HG2 DGU 12 36.298 28.485 32.338 Start of MODEL 10 1 H1 HIS 1 H1 HIS 1 39.100 27.049 35.063 2 HA HIS 1 HA HIS 1 41.367 26.615 35.777 3 HB2 HIS 1 HB2 HIS 1 39.309 26.400 37.339 4 HB3 HIS 1 HB1 HIS 1 39.671 24.739 37.347 5 HD1 HIS 1 HD1 HIS 1 41.957 27.854 37.796 6 HD2 HIS 1 HD2 HIS 1 41.172 24.075 39.385 7 HE1 HIS 1 HE1 HIS 1 43.764 27.550 39.507 8 HE2 HIS 1 HE2 HIS 1 43.378 25.216 40.475 9 HA DPR 2 HA DPR 2 43.045 22.406 35.257 10 HB2 DPR 2 HB1 DPR 2 45.527 23.022 34.679 11 HB3 DPR 2 HB2 DPR 2 44.966 23.351 36.295 12 HG2 DPR 2 HG1 DPR 2 45.589 25.339 34.251 13 HG3 DPR 2 HG2 DPR 2 45.577 25.374 36.011 14 HD2 DPR 2 HD1 DPR 2 43.344 26.235 34.194 15 HD3 DPR 2 HD2 DPR 2 43.377 26.170 36.034 16 H DVA 3 H DVA 3 42.064 24.511 32.853 17 HA DVA 3 HA DVA 3 42.926 22.670 30.738 18 HB DVA 3 HB DVA 3 43.354 24.208 29.108 19 HG11 DVA 3 1HG1 DVA 3 43.646 26.561 29.749 20 HG12 DVA 3 2HG1 DVA 3 42.822 26.296 31.336 21 HG13 DVA 3 3HG1 DVA 3 41.945 26.069 29.775 22 HG21 DVA 3 1HG2 DVA 3 45.179 23.341 30.371 23 HG22 DVA 3 2HG2 DVA 3 44.932 24.527 31.607 24 HG23 DVA 3 3HG2 DVA 3 45.365 25.071 29.908 25 H CYS 4 H CYS 4 41.380 22.321 29.173 26 HA CYS 4 HA CYS 4 38.660 23.297 29.557 27 HB2 CYS 4 HB2 CYS 4 40.086 25.319 28.594 28 HB3 CYS 4 HB1 CYS 4 40.296 24.355 27.183 29 H ILE 5 H ILE 5 37.310 22.239 28.438 30 HA ILE 5 HA ILE 5 38.060 20.235 26.334 31 HB ILE 5 HB ILE 5 35.988 19.982 28.543 32 HG12 ILE 5 2HG1 ILE 5 38.667 18.706 28.265 33 HG13 ILE 5 1HG1 ILE 5 38.217 19.968 29.361 34 HG21 ILE 5 1HG2 ILE 5 35.575 17.815 27.539 35 HG22 ILE 5 2HG2 ILE 5 37.178 17.778 26.788 36 HG23 ILE 5 3HG2 ILE 5 35.827 18.810 26.126 37 HD11 ILE 5 HD1 ILE 5 37.939 18.227 30.764 38 HD12 ILE 5 HD2 ILE 5 37.431 17.116 29.433 39 HD13 ILE 5 HD3 ILE 5 36.333 18.398 30.214 40 HA PRO 6 HA PRO 6 35.421 23.778 25.130 41 HB2 PRO 6 HB2 PRO 6 35.951 24.028 22.442 42 HB3 PRO 6 HB1 PRO 6 36.783 24.700 23.835 43 HG2 PRO 6 HG2 PRO 6 37.504 22.154 22.307 44 HG3 PRO 6 HG1 PRO 6 38.656 23.376 22.826 45 HD2 PRO 6 HD2 PRO 6 38.354 21.152 24.293 46 HD3 PRO 6 HD1 PRO 6 38.591 22.752 25.092 47 HA DPR 7 HA DPR 7 32.331 22.149 22.418 48 HB2 DPR 7 HB1 DPR 7 29.937 22.601 23.764 49 HB3 DPR 7 HB2 DPR 7 30.945 23.827 22.935 50 HG2 DPR 7 HG1 DPR 7 30.993 23.134 25.872 51 HG3 DPR 7 HG2 DPR 7 30.931 24.728 25.074 52 HD2 DPR 7 HD1 DPR 7 33.351 23.596 26.004 53 HD3 DPR 7 HD2 DPR 7 33.282 24.674 24.626 54 H GLU 8 H GLU 8 33.379 20.556 25.073 55 HA GLU 8 HA GLU 8 31.181 18.483 25.108 56 HB2 GLU 8 HB2 GLU 8 34.127 18.038 24.651 57 HB3 GLU 8 HB1 GLU 8 32.951 16.777 24.957 58 HG2 GLU 8 HG2 GLU 8 31.892 17.085 22.922 59 HG3 GLU 8 HG1 GLU 8 32.761 18.631 22.502 60 H DLY 9 H DLY 9 32.511 20.668 26.938 61 HA DLY 9 HA DLY 9 32.644 19.016 29.403 62 HB2 DLY 9 HB1 DLY 9 30.336 19.580 28.530 63 HB3 DLY 9 HB2 DLY 9 30.647 21.265 29.003 64 HG2 DLY 9 HG1 DLY 9 31.033 20.607 31.302 65 HG3 DLY 9 HG2 DLY 9 30.750 18.889 30.728 66 HD2 DLY 9 HD1 DLY 9 28.807 21.221 30.958 67 HD3 DLY 9 HD2 DLY 9 28.861 19.737 31.949 68 HE2 DLY 9 HE1 DLY 9 28.499 18.422 29.821 69 HE3 DLY 9 HE2 DLY 9 28.090 19.891 28.968 70 HZ1 DLY 9 HZ1 DLY 9 26.383 20.315 30.676 71 HZ2 DLY 9 HZ2 DLY 9 26.495 18.609 31.001 72 HZ3 DLY 9 HZ3 DLY 9 26.114 19.242 29.571 73 H VAL 10 H VAL 10 33.722 19.694 31.084 74 HA VAL 10 HA VAL 10 33.666 22.326 31.821 75 HB VAL 10 HB VAL 10 35.305 21.838 33.517 76 HG11 VAL 10 1HG1 VAL 10 34.304 19.976 34.691 77 HG12 VAL 10 2HG1 VAL 10 33.248 19.562 33.389 78 HG13 VAL 10 3HG1 VAL 10 33.113 21.183 34.153 79 HG21 VAL 10 1HG2 VAL 10 36.441 19.892 33.899 80 HG22 VAL 10 2HG2 VAL 10 36.782 20.189 32.111 81 HG23 VAL 10 3HG2 VAL 10 35.614 19.004 32.607 82 H CYS 11 H CYS 11 34.948 23.877 31.964 83 HA CYS 11 HA CYS 11 37.619 24.189 30.726 84 HB2 CYS 11 HB2 CYS 11 35.867 24.548 28.779 85 HB3 CYS 11 HB1 CYS 11 35.236 25.809 29.888 86 H DGL 12 H DGU 12 38.781 25.741 31.429 87 HA DGL 12 HA DGU 12 37.845 27.388 33.648 88 HB2 DGL 12 HB1 DGU 12 39.722 28.333 31.446 89 HB3 DGL 12 HB2 DGU 12 39.460 29.182 32.957 90 HG2 DGL 12 HG1 DGU 12 37.001 29.075 32.529 91 HG3 DGL 12 HG2 DGU 12 37.141 28.620 31.030 Start of MODEL 11 1 H1 HIS 1 H1 HIS 1 38.784 25.556 35.162 2 HA HIS 1 HA HIS 1 41.353 26.314 36.275 3 HB2 HIS 1 HB2 HIS 1 39.617 26.121 38.046 4 HB3 HIS 1 HB1 HIS 1 39.226 24.558 37.483 5 HD1 HIS 1 HD1 HIS 1 42.174 26.513 39.063 6 HD2 HIS 1 HD2 HIS 1 40.805 22.619 38.462 7 HE1 HIS 1 HE1 HIS 1 43.779 24.968 40.450 8 HE2 HIS 1 HE2 HIS 1 42.754 22.582 40.227 9 HA DPR 2 HA DPR 2 42.104 21.916 35.335 10 HB2 DPR 2 HB1 DPR 2 44.881 21.951 34.737 11 HB3 DPR 2 HB2 DPR 2 44.085 22.240 36.324 12 HG2 DPR 2 HG1 DPR 2 44.949 24.357 34.254 13 HG3 DPR 2 HG2 DPR 2 45.624 24.103 35.738 14 HD2 DPR 2 HD1 DPR 2 43.301 25.772 35.517 15 HD3 DPR 2 HD2 DPR 2 43.571 24.727 36.892 16 H DVA 3 H DVA 3 42.009 24.442 33.135 17 HA DVA 3 HA DVA 3 42.773 22.911 30.613 18 HB DVA 3 HB DVA 3 43.182 25.149 29.598 19 HG11 DVA 3 1HG1 DVA 3 42.279 26.617 31.470 20 HG12 DVA 3 2HG1 DVA 3 43.989 26.837 30.987 21 HG13 DVA 3 3HG1 DVA 3 43.568 25.987 32.535 22 HG21 DVA 3 1HG2 DVA 3 44.961 23.583 30.201 23 HG22 DVA 3 2HG2 DVA 3 45.060 24.336 31.849 24 HG23 DVA 3 3HG2 DVA 3 45.468 25.254 30.403 25 H CYS 4 H CYS 4 41.648 23.070 28.866 26 HA CYS 4 HA CYS 4 38.757 23.798 29.122 27 HB2 CYS 4 HB2 CYS 4 39.875 25.895 28.896 28 HB3 CYS 4 HB1 CYS 4 40.634 25.305 27.333 29 H ILE 5 H ILE 5 38.009 22.096 28.601 30 HA ILE 5 HA ILE 5 38.546 21.032 25.828 31 HB ILE 5 HB ILE 5 36.702 20.021 28.033 32 HG12 ILE 5 2HG1 ILE 5 39.016 18.620 26.646 33 HG13 ILE 5 1HG1 ILE 5 39.107 19.610 28.070 34 HG21 ILE 5 1HG2 ILE 5 36.895 18.842 25.219 35 HG22 ILE 5 2HG2 ILE 5 35.525 19.722 25.870 36 HG23 ILE 5 3HG2 ILE 5 36.035 18.198 26.614 37 HD11 ILE 5 HD1 ILE 5 37.507 18.179 29.244 38 HD12 ILE 5 HD2 ILE 5 38.972 17.269 28.780 39 HD13 ILE 5 HD3 ILE 5 37.577 16.959 27.867 40 HA PRO 6 HA PRO 6 35.051 23.896 24.828 41 HB2 PRO 6 HB2 PRO 6 35.760 23.121 21.965 42 HB3 PRO 6 HB1 PRO 6 35.456 24.717 22.670 43 HG2 PRO 6 HG2 PRO 6 37.848 23.917 22.104 44 HG3 PRO 6 HG1 PRO 6 37.647 24.842 23.547 45 HD2 PRO 6 HD2 PRO 6 37.986 21.883 23.342 46 HD3 PRO 6 HD1 PRO 6 38.732 23.044 24.452 47 HA DPR 7 HA DPR 7 32.363 20.714 22.801 48 HB2 DPR 7 HB1 DPR 7 29.811 21.809 23.307 49 HB3 DPR 7 HB2 DPR 7 30.754 22.265 21.956 50 HG2 DPR 7 HG1 DPR 7 30.865 23.861 24.615 51 HG3 DPR 7 HG2 DPR 7 30.619 24.366 22.910 52 HD2 DPR 7 HD1 DPR 7 33.041 24.481 24.216 53 HD3 DPR 7 HD2 DPR 7 32.911 23.975 22.479 54 H GLU 8 H GLU 8 31.302 19.241 23.867 55 HA GLU 8 HA GLU 8 30.385 19.311 26.577 56 HB2 GLU 8 HB2 GLU 8 29.599 17.630 24.868 57 HB3 GLU 8 HB1 GLU 8 31.168 16.860 24.980 58 HG2 GLU 8 HG2 GLU 8 30.895 16.582 27.454 59 HG3 GLU 8 HG1 GLU 8 29.305 17.235 27.374 60 H DLY 9 H DLY 9 31.534 19.616 28.280 61 HA DLY 9 HA DLY 9 34.355 19.337 28.337 62 HB2 DLY 9 HB1 DLY 9 34.229 17.684 30.304 63 HB3 DLY 9 HB2 DLY 9 33.503 16.999 28.846 64 HG2 DLY 9 HG1 DLY 9 31.227 17.618 30.001 65 HG3 DLY 9 HG2 DLY 9 32.145 18.113 31.372 66 HD2 DLY 9 HD1 DLY 9 31.518 16.142 31.920 67 HD3 DLY 9 HD2 DLY 9 33.212 15.807 31.337 68 HE2 DLY 9 HE1 DLY 9 32.371 15.212 29.175 69 HE3 DLY 9 HE2 DLY 9 30.741 15.021 29.826 70 HZ1 DLY 9 HZ1 DLY 9 31.528 13.274 31.164 71 HZ2 DLY 9 HZ2 DLY 9 33.099 13.847 30.879 72 HZ3 DLY 9 HZ3 DLY 9 32.299 13.104 29.644 73 H VAL 10 H VAL 10 35.295 20.353 29.863 74 HA VAL 10 HA VAL 10 33.810 22.470 31.243 75 HB VAL 10 HB VAL 10 36.214 21.194 32.377 76 HG11 VAL 10 1HG1 VAL 10 34.132 23.019 33.508 77 HG12 VAL 10 2HG1 VAL 10 35.967 23.269 33.288 78 HG13 VAL 10 3HG1 VAL 10 35.322 22.267 34.573 79 HG21 VAL 10 1HG2 VAL 10 33.235 20.579 32.982 80 HG22 VAL 10 2HG2 VAL 10 34.609 20.096 34.038 81 HG23 VAL 10 3HG2 VAL 10 34.530 19.439 32.461 82 H CYS 11 H CYS 11 34.931 24.578 31.472 83 HA CYS 11 HA CYS 11 37.645 24.717 30.491 84 HB2 CYS 11 HB2 CYS 11 35.907 25.270 28.670 85 HB3 CYS 11 HB1 CYS 11 35.419 26.680 29.639 86 H DGL 12 H DGU 12 38.976 25.901 31.634 87 HA DGL 12 HA DGU 12 37.846 27.144 34.019 88 HB2 DGL 12 HB1 DGU 12 38.489 29.004 32.244 89 HB3 DGL 12 HB2 DGU 12 40.121 28.483 32.347 90 HG2 DGL 12 HG1 DGU 12 40.119 29.188 34.820 91 HG3 DGL 12 HG2 DGU 12 38.535 29.701 34.545 Start of MODEL 12 1 H1 HIS 1 H1 HIS 1 38.692 25.167 34.533 2 HA HIS 1 HA HIS 1 40.981 25.928 36.373 3 HB2 HIS 1 HB2 HIS 1 39.013 24.995 37.653 4 HB3 HIS 1 HB1 HIS 1 38.904 23.691 36.519 5 HD1 HIS 1 HD1 HIS 1 40.965 24.910 39.620 6 HD2 HIS 1 HD2 HIS 1 40.878 21.755 36.803 7 HE1 HIS 1 HE1 HIS 1 42.330 23.126 40.587 8 HE2 HIS 1 HE2 HIS 1 42.414 21.209 38.820 9 HA DPR 2 HA DPR 2 43.326 22.221 35.095 10 HB2 DPR 2 HB1 DPR 2 45.331 24.331 34.420 11 HB3 DPR 2 HB2 DPR 2 45.513 22.690 35.263 12 HG2 DPR 2 HG1 DPR 2 45.522 25.061 36.595 13 HG3 DPR 2 HG2 DPR 2 44.647 23.756 37.311 14 HD2 DPR 2 HD1 DPR 2 43.677 26.062 35.578 15 HD3 DPR 2 HD2 DPR 2 42.980 25.344 37.070 16 H DVA 3 H DVA 3 42.310 24.829 32.847 17 HA DVA 3 HA DVA 3 43.136 23.106 30.691 18 HB DVA 3 HB DVA 3 43.721 25.125 29.397 19 HG11 DVA 3 1HG1 DVA 3 42.296 26.750 30.507 20 HG12 DVA 3 2HG1 DVA 3 43.934 27.363 30.351 21 HG13 DVA 3 3HG1 DVA 3 43.361 26.759 31.893 22 HG21 DVA 3 1HG2 DVA 3 45.789 25.738 30.625 23 HG22 DVA 3 2HG2 DVA 3 45.450 24.060 30.892 24 HG23 DVA 3 3HG2 DVA 3 45.025 25.339 32.169 25 H CYS 4 H CYS 4 41.735 22.921 28.895 26 HA CYS 4 HA CYS 4 39.060 23.589 29.411 27 HB2 CYS 4 HB2 CYS 4 40.530 25.559 28.204 28 HB3 CYS 4 HB1 CYS 4 40.446 24.515 26.809 29 H ILE 5 H ILE 5 37.578 22.578 28.338 30 HA ILE 5 HA ILE 5 38.512 20.434 26.491 31 HB ILE 5 HB ILE 5 36.298 19.894 28.382 32 HG12 ILE 5 2HG1 ILE 5 39.222 19.121 28.797 33 HG13 ILE 5 1HG1 ILE 5 38.137 20.195 29.808 34 HG21 ILE 5 1HG2 ILE 5 36.846 18.766 25.995 35 HG22 ILE 5 2HG2 ILE 5 36.381 17.782 27.390 36 HG23 ILE 5 3HG2 ILE 5 38.074 17.899 26.856 37 HD11 ILE 5 HD1 ILE 5 37.576 17.349 29.453 38 HD12 ILE 5 HD2 ILE 5 36.657 18.538 30.305 39 HD13 ILE 5 HD3 ILE 5 38.374 18.368 30.831 40 HA PRO 6 HA PRO 6 35.230 23.517 25.331 41 HB2 PRO 6 HB2 PRO 6 36.301 23.045 22.525 42 HB3 PRO 6 HB1 PRO 6 35.911 24.596 23.218 43 HG2 PRO 6 HG2 PRO 6 38.446 23.834 22.923 44 HG3 PRO 6 HG1 PRO 6 37.819 24.568 24.472 45 HD2 PRO 6 HD2 PRO 6 38.203 21.646 23.782 46 HD3 PRO 6 HD1 PRO 6 38.870 22.416 25.231 47 HA DPR 7 HA DPR 7 32.297 21.085 22.704 48 HB2 DPR 7 HB1 DPR 7 30.111 22.393 23.372 49 HB3 DPR 7 HB2 DPR 7 31.216 22.976 22.087 50 HG2 DPR 7 HG1 DPR 7 31.027 24.062 24.810 51 HG3 DPR 7 HG2 DPR 7 31.323 24.996 23.282 52 HD2 DPR 7 HD1 DPR 7 33.305 24.204 24.998 53 HD3 DPR 7 HD2 DPR 7 33.620 24.427 23.203 54 H GLU 8 H GLU 8 31.046 19.445 23.486 55 HA GLU 8 HA GLU 8 30.109 19.265 26.047 56 HB2 GLU 8 HB2 GLU 8 29.423 17.667 24.371 57 HB3 GLU 8 HB1 GLU 8 31.013 16.993 24.214 58 HG2 GLU 8 HG2 GLU 8 30.728 16.314 26.789 59 HG3 GLU 8 HG1 GLU 8 29.020 16.748 26.535 60 H DLY 9 H DLY 9 31.249 20.009 27.610 61 HA DLY 9 HA DLY 9 33.939 19.329 28.153 62 HB2 DLY 9 HB1 DLY 9 33.579 18.256 30.325 63 HB3 DLY 9 HB2 DLY 9 33.263 17.233 28.954 64 HG2 DLY 9 HG1 DLY 9 30.757 17.795 29.460 65 HG3 DLY 9 HG2 DLY 9 31.430 18.575 30.903 66 HD2 DLY 9 HD1 DLY 9 32.281 16.336 31.654 67 HD3 DLY 9 HD2 DLY 9 32.086 15.691 30.066 68 HE2 DLY 9 HE1 DLY 9 29.610 15.870 30.256 69 HE3 DLY 9 HE2 DLY 9 29.713 16.417 31.793 70 HZ1 DLY 9 HZ1 DLY 9 30.736 13.797 30.912 71 HZ2 DLY 9 HZ2 DLY 9 29.500 13.987 31.976 72 HZ3 DLY 9 HZ3 DLY 9 31.031 14.313 32.418 73 H VAL 10 H VAL 10 34.662 20.377 29.912 74 HA VAL 10 HA VAL 10 33.279 22.741 30.794 75 HB VAL 10 HB VAL 10 34.203 22.446 33.120 76 HG11 VAL 10 1HG1 VAL 10 32.505 21.199 33.805 77 HG12 VAL 10 2HG1 VAL 10 32.748 19.894 32.687 78 HG13 VAL 10 3HG1 VAL 10 31.930 21.451 32.162 79 HG21 VAL 10 1HG2 VAL 10 36.149 21.112 32.539 80 HG22 VAL 10 2HG2 VAL 10 35.183 19.807 32.029 81 HG23 VAL 10 3HG2 VAL 10 35.006 20.254 33.721 82 H CYS 11 H CYS 11 34.784 24.576 31.596 83 HA CYS 11 HA CYS 11 37.594 24.258 30.752 84 HB2 CYS 11 HB2 CYS 11 36.165 25.207 28.934 85 HB3 CYS 11 HB1 CYS 11 35.875 26.651 30.001 86 H DGL 12 H DGU 12 38.828 25.877 31.767 87 HA DGL 12 HA DGU 12 37.865 27.642 33.929 88 HB2 DGL 12 HB1 DGU 12 39.825 28.112 31.685 89 HB3 DGL 12 HB2 DGU 12 39.924 29.052 33.130 90 HG2 DGL 12 HG1 DGU 12 37.390 29.732 32.548 91 HG3 DGL 12 HG2 DGU 12 37.528 28.555 31.285 Start of MODEL 13 1 H1 HIS 1 H1 HIS 1 38.957 24.646 35.423 2 HA HIS 1 HA HIS 1 41.459 25.790 36.491 3 HB2 HIS 1 HB2 HIS 1 39.955 25.346 38.449 4 HB3 HIS 1 HB1 HIS 1 39.760 23.716 37.973 5 HD1 HIS 1 HD1 HIS 1 42.576 25.885 39.512 6 HD2 HIS 1 HD2 HIS 1 41.832 21.964 38.145 7 HE1 HIS 1 HE1 HIS 1 44.412 24.518 40.419 8 HE2 HIS 1 HE2 HIS 1 44.090 22.164 39.532 9 HA DPR 2 HA DPR 2 43.171 21.999 34.827 10 HB2 DPR 2 HB1 DPR 2 45.850 22.612 34.602 11 HB3 DPR 2 HB2 DPR 2 44.953 22.238 36.061 12 HG2 DPR 2 HG1 DPR 2 45.761 24.962 34.709 13 HG3 DPR 2 HG2 DPR 2 45.885 24.505 36.395 14 HD2 DPR 2 HD1 DPR 2 43.788 25.929 35.335 15 HD3 DPR 2 HD2 DPR 2 43.731 25.016 36.895 16 H DVA 3 H DVA 3 42.151 24.499 33.155 17 HA DVA 3 HA DVA 3 43.083 23.240 30.604 18 HB DVA 3 HB DVA 3 43.159 25.306 29.478 19 HG11 DVA 3 1HG1 DVA 3 41.560 26.739 30.690 20 HG12 DVA 3 2HG1 DVA 3 43.122 27.524 30.775 21 HG13 DVA 3 3HG1 DVA 3 42.579 26.627 32.176 22 HG21 DVA 3 1HG2 DVA 3 45.058 26.287 30.200 23 HG22 DVA 3 2HG2 DVA 3 45.204 24.495 30.706 24 HG23 DVA 3 3HG2 DVA 3 44.938 25.835 31.821 25 H CYS 4 H CYS 4 41.474 23.839 28.766 26 HA CYS 4 HA CYS 4 38.708 23.285 29.749 27 HB2 CYS 4 HB2 CYS 4 39.130 25.635 29.442 28 HB3 CYS 4 HB1 CYS 4 39.625 25.347 27.794 29 H ILE 5 H ILE 5 37.444 22.390 28.317 30 HA ILE 5 HA ILE 5 38.521 21.081 25.870 31 HB ILE 5 HB ILE 5 36.572 20.102 27.987 32 HG12 ILE 5 2HG1 ILE 5 37.899 17.985 27.970 33 HG13 ILE 5 1HG1 ILE 5 39.170 18.813 27.109 34 HG21 ILE 5 1HG2 ILE 5 35.654 19.514 25.855 35 HG22 ILE 5 2HG2 ILE 5 36.237 18.034 26.597 36 HG23 ILE 5 3HG2 ILE 5 37.167 18.860 25.253 37 HD11 ILE 5 HD1 ILE 5 38.181 20.120 29.603 38 HD12 ILE 5 HD2 ILE 5 39.667 20.404 28.801 39 HD13 ILE 5 HD3 ILE 5 39.625 18.869 29.565 40 HA PRO 6 HA PRO 6 35.027 23.421 24.596 41 HB2 PRO 6 HB2 PRO 6 35.366 23.235 21.761 42 HB3 PRO 6 HB1 PRO 6 36.099 24.497 22.907 43 HG2 PRO 6 HG2 PRO 6 37.220 21.790 21.950 44 HG3 PRO 6 HG1 PRO 6 38.059 23.253 21.836 45 HD2 PRO 6 HD2 PRO 6 38.553 21.647 23.838 46 HD3 PRO 6 HD1 PRO 6 38.301 23.405 24.216 47 HA DPR 7 HA DPR 7 32.578 20.225 22.671 48 HB2 DPR 7 HB1 DPR 7 30.026 21.249 22.809 49 HB3 DPR 7 HB2 DPR 7 31.080 21.843 21.659 50 HG2 DPR 7 HG1 DPR 7 30.584 23.173 24.268 51 HG3 DPR 7 HG2 DPR 7 30.903 23.985 22.673 52 HD2 DPR 7 HD1 DPR 7 32.789 23.540 24.716 53 HD3 DPR 7 HD2 DPR 7 33.073 23.984 23.070 54 H GLU 8 H GLU 8 31.277 18.484 23.700 55 HA GLU 8 HA GLU 8 30.539 19.035 26.489 56 HB2 GLU 8 HB2 GLU 8 29.333 17.503 25.262 57 HB3 GLU 8 HB1 GLU 8 30.767 16.457 24.932 58 HG2 GLU 8 HG2 GLU 8 30.877 15.772 27.394 59 HG3 GLU 8 HG1 GLU 8 29.352 16.758 27.530 60 H DLY 9 H DLY 9 31.714 19.109 28.235 61 HA DLY 9 HA DLY 9 34.650 18.543 28.184 62 HB2 DLY 9 HB1 DLY 9 34.502 17.089 29.959 63 HB3 DLY 9 HB2 DLY 9 33.364 16.500 28.761 64 HG2 DLY 9 HG1 DLY 9 31.584 17.224 30.107 65 HG3 DLY 9 HG2 DLY 9 32.602 18.081 31.285 66 HD2 DLY 9 HD1 DLY 9 33.707 15.759 31.763 67 HD3 DLY 9 HD2 DLY 9 32.395 15.128 30.709 68 HE2 DLY 9 HE1 DLY 9 30.678 16.138 32.147 69 HE3 DLY 9 HE2 DLY 9 31.944 16.844 33.186 70 HZ1 DLY 9 HZ1 DLY 9 32.548 14.543 33.743 71 HZ2 DLY 9 HZ2 DLY 9 31.450 13.978 32.791 72 HZ3 DLY 9 HZ3 DLY 9 31.018 14.779 34.092 73 H VAL 10 H VAL 10 35.712 19.188 30.170 74 HA VAL 10 HA VAL 10 34.132 21.072 31.835 75 HB VAL 10 HB VAL 10 35.650 20.845 33.544 76 HG11 VAL 10 1HG1 VAL 10 35.331 18.467 34.111 77 HG12 VAL 10 2HG1 VAL 10 35.515 18.153 32.399 78 HG13 VAL 10 3HG1 VAL 10 34.065 19.135 33.006 79 HG21 VAL 10 1HG2 VAL 10 37.900 20.894 32.774 80 HG22 VAL 10 2HG2 VAL 10 37.657 19.424 31.770 81 HG23 VAL 10 3HG2 VAL 10 37.582 19.412 33.535 82 H CYS 11 H CYS 11 35.047 23.163 32.520 83 HA CYS 11 HA CYS 11 37.361 24.149 30.955 84 HB2 CYS 11 HB2 CYS 11 34.822 24.668 29.848 85 HB3 CYS 11 HB1 CYS 11 34.930 25.856 31.143 86 H DGL 12 H DGU 12 38.760 24.980 32.370 87 HA DGL 12 HA DGU 12 37.808 26.462 34.624 88 HB2 DGL 12 HB1 DGU 12 39.188 27.655 32.299 89 HB3 DGL 12 HB2 DGU 12 39.450 28.397 33.964 90 HG2 DGL 12 HG1 DGU 12 36.953 28.669 33.905 91 HG3 DGL 12 HG2 DGU 12 37.016 27.971 32.207 Start of MODEL 14 1 H1 HIS 1 H1 HIS 1 38.615 25.650 34.611 2 HA HIS 1 HA HIS 1 41.284 26.191 35.825 3 HB2 HIS 1 HB2 HIS 1 39.404 26.203 37.351 4 HB3 HIS 1 HB1 HIS 1 39.069 24.458 37.099 5 HD1 HIS 1 HD1 HIS 1 42.040 26.731 38.351 6 HD2 HIS 1 HD2 HIS 1 40.825 22.728 37.902 7 HE1 HIS 1 HE1 HIS 1 43.603 25.288 39.769 8 HE2 HIS 1 HE2 HIS 1 42.839 22.951 39.781 9 HA DPR 2 HA DPR 2 42.128 21.898 34.809 10 HB2 DPR 2 HB1 DPR 2 44.841 22.060 34.113 11 HB3 DPR 2 HB2 DPR 2 44.195 21.879 35.725 12 HG2 DPR 2 HG1 DPR 2 45.173 24.386 34.338 13 HG3 DPR 2 HG2 DPR 2 45.443 23.859 35.950 14 HD2 DPR 2 HD1 DPR 2 43.500 25.697 35.254 15 HD3 DPR 2 HD2 DPR 2 43.437 24.767 36.739 16 H DVA 3 H DVA 3 42.562 24.735 32.966 17 HA DVA 3 HA DVA 3 43.194 23.352 30.448 18 HB DVA 3 HB DVA 3 43.241 25.656 29.458 19 HG11 DVA 3 1HG1 DVA 3 41.890 26.870 31.222 20 HG12 DVA 3 2HG1 DVA 3 43.370 27.639 30.666 21 HG13 DVA 3 3HG1 DVA 3 43.188 26.756 32.277 22 HG21 DVA 3 1HG2 DVA 3 45.417 24.413 30.364 23 HG22 DVA 3 2HG2 DVA 3 45.209 25.335 31.751 24 HG23 DVA 3 3HG2 DVA 3 45.459 26.138 30.149 25 H CYS 4 H CYS 4 41.845 23.218 28.867 26 HA CYS 4 HA CYS 4 39.089 23.934 29.348 27 HB2 CYS 4 HB2 CYS 4 40.633 25.463 27.788 28 HB3 CYS 4 HB1 CYS 4 40.143 24.253 26.545 29 H ILE 5 H ILE 5 37.489 22.515 28.559 30 HA ILE 5 HA ILE 5 38.479 20.552 26.562 31 HB ILE 5 HB ILE 5 36.310 19.989 28.571 32 HG12 ILE 5 2HG1 ILE 5 38.798 18.573 28.211 33 HG13 ILE 5 1HG1 ILE 5 38.578 19.882 29.468 34 HG21 ILE 5 1HG2 ILE 5 37.125 18.610 26.089 35 HG22 ILE 5 2HG2 ILE 5 35.542 18.962 26.754 36 HG23 ILE 5 3HG2 ILE 5 36.523 17.589 27.405 37 HD11 ILE 5 HD1 ILE 5 36.721 18.413 30.532 38 HD12 ILE 5 HD2 ILE 5 38.384 17.854 30.662 39 HD13 ILE 5 HD3 ILE 5 37.310 17.239 29.308 40 HA PRO 6 HA PRO 6 36.005 23.509 24.792 41 HB2 PRO 6 HB2 PRO 6 36.492 22.212 22.175 42 HB3 PRO 6 HB1 PRO 6 36.755 23.980 22.581 43 HG2 PRO 6 HG2 PRO 6 38.697 22.182 22.304 44 HG3 PRO 6 HG1 PRO 6 38.869 23.516 23.498 45 HD2 PRO 6 HD2 PRO 6 38.472 20.643 24.081 46 HD3 PRO 6 HD1 PRO 6 38.986 22.014 25.101 47 HA DPR 7 HA DPR 7 32.088 21.871 22.966 48 HB2 DPR 7 HB1 DPR 7 30.302 23.277 24.263 49 HB3 DPR 7 HB2 DPR 7 31.373 23.999 23.057 50 HG2 DPR 7 HG1 DPR 7 31.950 24.020 26.070 51 HG3 DPR 7 HG2 DPR 7 31.701 25.394 24.951 52 HD2 DPR 7 HD1 DPR 7 34.135 24.193 25.624 53 HD3 DPR 7 HD2 DPR 7 33.935 24.830 23.989 54 H GLU 8 H GLU 8 31.350 19.999 23.677 55 HA GLU 8 HA GLU 8 30.318 19.442 26.099 56 HB2 GLU 8 HB2 GLU 8 29.777 18.173 24.181 57 HB3 GLU 8 HB1 GLU 8 31.452 17.475 24.220 58 HG2 GLU 8 HG2 GLU 8 29.844 15.788 24.975 59 HG3 GLU 8 HG1 GLU 8 31.020 16.090 26.101 60 H DLY 9 H DLY 9 31.709 20.172 27.827 61 HA DLY 9 HA DLY 9 34.167 19.213 28.398 62 HB2 DLY 9 HB1 DLY 9 33.959 17.615 30.096 63 HB3 DLY 9 HB2 DLY 9 33.036 17.028 28.724 64 HG2 DLY 9 HG1 DLY 9 30.970 18.027 29.682 65 HG3 DLY 9 HG2 DLY 9 31.898 18.107 31.276 66 HD2 DLY 9 HD1 DLY 9 32.300 15.714 31.074 67 HD3 DLY 9 HD2 DLY 9 31.309 15.655 29.535 68 HE2 DLY 9 HE1 DLY 9 29.427 16.585 30.856 69 HE3 DLY 9 HE2 DLY 9 30.360 16.129 32.316 70 HZ1 DLY 9 HZ1 DLY 9 29.684 14.269 30.105 71 HZ2 DLY 9 HZ2 DLY 9 28.793 14.304 31.368 72 HZ3 DLY 9 HZ3 DLY 9 30.418 13.894 31.435 73 H VAL 10 H VAL 10 35.002 20.303 30.032 74 HA VAL 10 HA VAL 10 33.421 22.463 31.240 75 HB VAL 10 HB VAL 10 34.806 22.266 33.284 76 HG11 VAL 10 1HG1 VAL 10 33.110 20.614 34.449 77 HG12 VAL 10 2HG1 VAL 10 32.588 20.093 32.878 78 HG13 VAL 10 3HG1 VAL 10 32.321 21.759 33.318 79 HG21 VAL 10 1HG2 VAL 10 34.855 19.289 32.836 80 HG22 VAL 10 2HG2 VAL 10 35.495 20.112 34.299 81 HG23 VAL 10 3HG2 VAL 10 36.240 20.236 32.713 82 H CYS 11 H CYS 11 34.733 24.225 31.755 83 HA CYS 11 HA CYS 11 37.620 24.185 31.008 84 HB2 CYS 11 HB2 CYS 11 36.315 24.444 28.984 85 HB3 CYS 11 HB1 CYS 11 35.626 26.012 29.682 86 H DGL 12 H DGU 12 38.774 25.677 31.836 87 HA DGL 12 HA DGU 12 37.760 27.608 33.798 88 HB2 DGL 12 HB1 DGU 12 39.570 28.261 31.427 89 HB3 DGL 12 HB2 DGU 12 39.199 29.280 32.854 90 HG2 DGL 12 HG1 DGU 12 36.741 29.494 31.865 91 HG3 DGL 12 HG2 DGU 12 37.278 28.506 30.660 Start of MODEL 15 1 H1 HIS 1 H1 HIS 1 38.850 25.312 34.995 2 HA HIS 1 HA HIS 1 41.210 25.574 36.863 3 HB2 HIS 1 HB2 HIS 1 39.306 25.125 38.114 4 HB3 HIS 1 HB1 HIS 1 38.825 23.710 37.255 5 HD1 HIS 1 HD1 HIS 1 41.431 24.807 39.623 6 HD2 HIS 1 HD2 HIS 1 40.304 21.458 37.339 7 HE1 HIS 1 HE1 HIS 1 42.924 22.913 40.433 8 HE2 HIS 1 HE2 HIS 1 42.280 20.880 39.005 9 HA DPR 2 HA DPR 2 43.328 21.999 35.139 10 HB2 DPR 2 HB1 DPR 2 45.378 23.341 33.955 11 HB3 DPR 2 HB2 DPR 2 45.251 22.620 35.568 12 HG2 DPR 2 HG1 DPR 2 44.999 25.463 34.713 13 HG3 DPR 2 HG2 DPR 2 45.646 24.844 36.275 14 HD2 DPR 2 HD1 DPR 2 43.111 26.003 35.977 15 HD3 DPR 2 HD2 DPR 2 43.539 24.697 37.163 16 H DVA 3 H DVA 3 42.400 24.773 33.140 17 HA DVA 3 HA DVA 3 42.902 23.041 30.783 18 HB DVA 3 HB DVA 3 43.257 25.241 29.550 19 HG11 DVA 3 1HG1 DVA 3 43.491 26.710 32.234 20 HG12 DVA 3 2HG1 DVA 3 41.944 26.589 31.429 21 HG13 DVA 3 3HG1 DVA 3 43.393 27.219 30.535 22 HG21 DVA 3 1HG2 DVA 3 45.127 23.923 30.671 23 HG22 DVA 3 2HG2 DVA 3 45.018 24.992 32.027 24 HG23 DVA 3 3HG2 DVA 3 45.458 25.729 30.460 25 H CYS 4 H CYS 4 41.851 23.392 28.786 26 HA CYS 4 HA CYS 4 38.983 23.761 29.435 27 HB2 CYS 4 HB2 CYS 4 39.823 25.792 29.182 28 HB3 CYS 4 HB1 CYS 4 40.516 25.569 27.564 29 H ILE 5 H ILE 5 37.497 22.833 28.204 30 HA ILE 5 HA ILE 5 38.403 21.139 25.977 31 HB ILE 5 HB ILE 5 36.447 20.565 28.253 32 HG12 ILE 5 2HG1 ILE 5 38.010 18.341 28.314 33 HG13 ILE 5 1HG1 ILE 5 39.131 19.452 27.630 34 HG21 ILE 5 1HG2 ILE 5 36.143 18.308 27.149 35 HG22 ILE 5 2HG2 ILE 5 37.144 18.981 25.787 36 HG23 ILE 5 3HG2 ILE 5 35.520 19.628 26.217 37 HD11 ILE 5 HD1 ILE 5 37.720 19.873 30.243 38 HD12 ILE 5 HD2 ILE 5 38.959 20.985 29.390 39 HD13 ILE 5 HD3 ILE 5 39.350 19.334 30.026 40 HA PRO 6 HA PRO 6 35.099 23.566 24.159 41 HB2 PRO 6 HB2 PRO 6 35.254 22.805 21.588 42 HB3 PRO 6 HB1 PRO 6 36.390 23.977 22.305 43 HG2 PRO 6 HG2 PRO 6 37.027 21.082 21.866 44 HG3 PRO 6 HG1 PRO 6 38.017 22.597 21.681 45 HD2 PRO 6 HD2 PRO 6 38.196 20.912 23.741 46 HD3 PRO 6 HD1 PRO 6 38.383 22.751 23.925 47 HA DPR 7 HA DPR 7 32.290 20.289 22.419 48 HB2 DPR 7 HB1 DPR 7 29.924 21.532 22.806 49 HB3 DPR 7 HB2 DPR 7 30.985 21.968 21.483 50 HG2 DPR 7 HG1 DPR 7 30.883 23.419 24.192 51 HG3 DPR 7 HG2 DPR 7 30.634 24.075 22.513 52 HD2 DPR 7 HD1 DPR 7 32.861 24.002 24.070 53 HD3 DPR 7 HD2 DPR 7 33.109 23.902 22.299 54 H GLU 8 H GLU 8 31.011 18.715 23.825 55 HA GLU 8 HA GLU 8 30.114 19.136 26.345 56 HB2 GLU 8 HB2 GLU 8 29.760 17.295 24.659 57 HB3 GLU 8 HB1 GLU 8 31.274 16.648 25.241 58 HG2 GLU 8 HG2 GLU 8 30.510 16.526 27.478 59 HG3 GLU 8 HG1 GLU 8 28.985 17.307 27.139 60 H DLY 9 H DLY 9 31.203 19.900 28.118 61 HA DLY 9 HA DLY 9 33.992 19.631 28.177 62 HB2 DLY 9 HB1 DLY 9 34.428 18.455 30.206 63 HB3 DLY 9 HB2 DLY 9 33.652 17.465 28.974 64 HG2 DLY 9 HG1 DLY 9 31.422 17.774 30.151 65 HG3 DLY 9 HG2 DLY 9 32.353 18.625 31.418 66 HD2 DLY 9 HD1 DLY 9 33.852 16.733 31.579 67 HD3 DLY 9 HD2 DLY 9 33.133 15.817 30.287 68 HE2 DLY 9 HE1 DLY 9 32.379 14.961 32.511 69 HE3 DLY 9 HE2 DLY 9 30.997 15.806 31.771 70 HZ1 DLY 9 HZ1 DLY 9 31.703 16.353 34.189 71 HZ2 DLY 9 HZ2 DLY 9 31.217 17.544 33.250 72 HZ3 DLY 9 HZ3 DLY 9 32.834 17.291 33.424 73 H VAL 10 H VAL 10 34.985 20.784 29.804 74 HA VAL 10 HA VAL 10 33.609 23.154 31.055 75 HB VAL 10 HB VAL 10 34.530 22.866 33.180 76 HG11 VAL 10 1HG1 VAL 10 32.893 21.269 34.049 77 HG12 VAL 10 2HG1 VAL 10 32.632 20.685 32.441 78 HG13 VAL 10 3HG1 VAL 10 32.159 22.407 32.849 79 HG21 VAL 10 1HG2 VAL 10 35.053 20.582 34.177 80 HG22 VAL 10 2HG2 VAL 10 36.200 21.046 32.922 81 HG23 VAL 10 3HG2 VAL 10 34.878 20.007 32.466 82 H CYS 11 H CYS 11 34.880 24.880 31.643 83 HA CYS 11 HA CYS 11 37.722 24.801 30.764 84 HB2 CYS 11 HB2 CYS 11 35.652 25.736 29.133 85 HB3 CYS 11 HB1 CYS 11 35.635 26.984 30.316 86 H DGL 12 H DGU 12 39.068 25.753 31.980 87 HA DGL 12 HA DGU 12 37.945 27.254 34.238 88 HB2 DGL 12 HB1 DGU 12 40.129 28.600 32.665 89 HB3 DGL 12 HB2 DGU 12 39.081 29.238 33.964 90 HG2 DGL 12 HG1 DGU 12 37.178 29.444 32.721 91 HG3 DGL 12 HG2 DGU 12 37.992 28.582 31.328 Start of MODEL 16 1 H1 HIS 1 H1 HIS 1 38.745 26.641 35.392 2 HA HIS 1 HA HIS 1 40.863 25.554 36.318 3 HB2 HIS 1 HB2 HIS 1 38.696 25.576 37.653 4 HB3 HIS 1 HB1 HIS 1 38.257 24.022 36.902 5 HD1 HIS 1 HD1 HIS 1 40.488 25.649 39.419 6 HD2 HIS 1 HD2 HIS 1 39.680 21.921 37.784 7 HE1 HIS 1 HE1 HIS 1 41.747 23.914 40.930 8 HE2 HIS 1 HE2 HIS 1 41.122 21.606 39.952 9 HA DPR 2 HA DPR 2 41.485 21.327 34.844 10 HB2 DPR 2 HB1 DPR 2 44.107 21.151 34.969 11 HB3 DPR 2 HB2 DPR 2 43.148 21.375 36.499 12 HG2 DPR 2 HG1 DPR 2 44.558 23.480 34.958 13 HG3 DPR 2 HG2 DPR 2 44.716 23.180 36.765 14 HD2 DPR 2 HD1 DPR 2 42.936 25.013 35.706 15 HD3 DPR 2 HD2 DPR 2 42.590 23.975 37.161 16 H DVA 3 H DVA 3 41.819 24.128 33.061 17 HA DVA 3 HA DVA 3 42.861 22.705 30.625 18 HB DVA 3 HB DVA 3 43.682 25.043 30.031 19 HG11 DVA 3 1HG1 DVA 3 43.883 26.717 31.693 20 HG12 DVA 3 2HG1 DVA 3 43.384 25.642 33.001 21 HG13 DVA 3 3HG1 DVA 3 42.207 26.120 31.730 22 HG21 DVA 3 1HG2 DVA 3 45.688 24.976 31.259 23 HG22 DVA 3 2HG2 DVA 3 45.360 23.373 30.763 24 HG23 DVA 3 3HG2 DVA 3 45.071 23.737 32.419 25 H CYS 4 H CYS 4 41.788 23.273 28.822 26 HA CYS 4 HA CYS 4 38.995 23.919 29.392 27 HB2 CYS 4 HB2 CYS 4 39.801 26.157 29.082 28 HB3 CYS 4 HB1 CYS 4 40.661 25.643 27.622 29 H ILE 5 H ILE 5 37.845 22.536 28.104 30 HA ILE 5 HA ILE 5 38.839 21.819 25.369 31 HB ILE 5 HB ILE 5 38.669 20.289 27.259 32 HG12 ILE 5 2HG1 ILE 5 37.508 19.329 24.639 33 HG13 ILE 5 1HG1 ILE 5 39.161 19.928 24.734 34 HG21 ILE 5 1HG2 ILE 5 36.456 20.601 28.001 35 HG22 ILE 5 2HG2 ILE 5 36.469 18.978 27.280 36 HG23 ILE 5 3HG2 ILE 5 35.758 20.149 26.325 37 HD11 ILE 5 HD1 ILE 5 39.477 18.020 26.524 38 HD12 ILE 5 HD2 ILE 5 38.981 17.461 24.933 39 HD13 ILE 5 HD3 ILE 5 37.787 17.602 26.203 40 HA PRO 6 HA PRO 6 34.985 23.943 24.014 41 HB2 PRO 6 HB2 PRO 6 34.699 22.789 21.532 42 HB3 PRO 6 HB1 PRO 6 35.850 24.099 21.824 43 HG2 PRO 6 HG2 PRO 6 36.266 21.085 21.920 44 HG3 PRO 6 HG1 PRO 6 37.190 22.373 20.969 45 HD2 PRO 6 HD2 PRO 6 38.100 21.398 23.350 46 HD3 PRO 6 HD1 PRO 6 38.129 23.200 22.906 47 HA DPR 7 HA DPR 7 31.924 21.034 23.216 48 HB2 DPR 7 HB1 DPR 7 30.137 22.584 24.893 49 HB3 DPR 7 HB2 DPR 7 29.822 21.936 23.242 50 HG2 DPR 7 HG1 DPR 7 30.519 24.476 23.499 51 HG3 DPR 7 HG2 DPR 7 31.451 23.531 22.288 52 HD2 DPR 7 HD1 DPR 7 32.363 24.199 25.007 53 HD3 DPR 7 HD2 DPR 7 33.243 24.338 23.427 54 H GLU 8 H GLU 8 32.389 19.016 24.343 55 HA GLU 8 HA GLU 8 30.784 18.519 26.729 56 HB2 GLU 8 HB2 GLU 8 32.481 16.663 25.115 57 HB3 GLU 8 HB1 GLU 8 31.388 16.201 26.442 58 HG2 GLU 8 HG2 GLU 8 29.444 16.896 25.201 59 HG3 GLU 8 HG1 GLU 8 30.332 17.217 23.837 60 H DLY 9 H DLY 9 32.271 19.962 27.772 61 HA DLY 9 HA DLY 9 34.668 19.037 29.064 62 HB2 DLY 9 HB1 DLY 9 33.779 18.794 31.414 63 HB3 DLY 9 HB2 DLY 9 33.552 17.533 30.295 64 HG2 DLY 9 HG1 DLY 9 31.299 17.675 30.176 65 HG3 DLY 9 HG2 DLY 9 31.234 19.317 30.734 66 HD2 DLY 9 HD1 DLY 9 32.099 18.451 33.034 67 HD3 DLY 9 HD2 DLY 9 31.786 16.800 32.386 68 HE2 DLY 9 HE1 DLY 9 29.719 17.409 33.601 69 HE3 DLY 9 HE2 DLY 9 29.494 17.457 31.823 70 HZ1 DLY 9 HZ1 DLY 9 30.117 19.585 33.778 71 HZ2 DLY 9 HZ2 DLY 9 28.736 19.308 33.053 72 HZ3 DLY 9 HZ3 DLY 9 30.039 19.922 32.133 73 H VAL 10 H VAL 10 35.412 20.306 30.925 74 HA VAL 10 HA VAL 10 34.038 22.946 31.284 75 HB VAL 10 HB VAL 10 36.233 21.732 32.869 76 HG11 VAL 10 1HG1 VAL 10 36.303 24.047 33.439 77 HG12 VAL 10 2HG1 VAL 10 35.307 23.299 34.588 78 HG13 VAL 10 3HG1 VAL 10 34.548 24.238 33.257 79 HG21 VAL 10 1HG2 VAL 10 33.230 21.836 33.453 80 HG22 VAL 10 2HG2 VAL 10 34.474 21.338 34.581 81 HG23 VAL 10 3HG2 VAL 10 34.330 20.392 33.121 82 H CYS 11 H CYS 11 34.900 24.759 31.163 83 HA CYS 11 HA CYS 11 37.588 25.147 29.935 84 HB2 CYS 11 HB2 CYS 11 35.668 25.827 28.512 85 HB3 CYS 11 HB1 CYS 11 35.580 27.201 29.741 86 H DGL 12 H DGU 12 38.954 25.891 31.453 87 HA DGL 12 HA DGU 12 37.958 27.564 33.784 88 HB2 DGL 12 HB1 DGU 12 40.244 28.044 31.827 89 HB3 DGL 12 HB2 DGU 12 40.218 28.891 33.256 90 HG2 DGL 12 HG1 DGU 12 37.944 29.845 32.750 91 HG3 DGL 12 HG2 DGU 12 37.799 28.742 31.387 Start of MODEL 17 1 H1 HIS 1 H1 HIS 1 38.699 25.244 34.449 2 HA HIS 1 HA HIS 1 41.186 25.994 35.901 3 HB2 HIS 1 HB2 HIS 1 39.372 25.646 37.627 4 HB3 HIS 1 HB1 HIS 1 38.880 24.180 36.840 5 HD1 HIS 1 HD1 HIS 1 41.193 25.637 39.374 6 HD2 HIS 1 HD2 HIS 1 40.517 21.992 37.342 7 HE1 HIS 1 HE1 HIS 1 42.412 23.866 40.680 8 HE2 HIS 1 HE2 HIS 1 42.128 21.699 39.401 9 HA DPR 2 HA DPR 2 42.928 21.885 34.790 10 HB2 DPR 2 HB1 DPR 2 45.373 23.530 34.592 11 HB3 DPR 2 HB2 DPR 2 45.054 21.928 35.422 12 HG2 DPR 2 HG1 DPR 2 45.467 24.243 36.690 13 HG3 DPR 2 HG2 DPR 2 44.264 22.985 37.269 14 HD2 DPR 2 HD1 DPR 2 43.725 25.551 35.672 15 HD3 DPR 2 HD2 DPR 2 42.911 24.975 37.053 16 H DVA 3 H DVA 3 42.426 24.637 32.981 17 HA DVA 3 HA DVA 3 43.035 23.022 30.607 18 HB DVA 3 HB DVA 3 42.866 25.119 29.158 19 HG11 DVA 3 1HG1 DVA 3 41.870 26.715 30.703 20 HG12 DVA 3 2HG1 DVA 3 43.409 27.224 30.175 21 HG13 DVA 3 3HG1 DVA 3 43.208 26.537 31.838 22 HG21 DVA 3 1HG2 DVA 3 45.301 25.272 31.009 23 HG22 DVA 3 2HG2 DVA 3 45.083 25.815 29.434 24 HG23 DVA 3 3HG2 DVA 3 45.058 24.003 29.769 25 H CYS 4 H CYS 4 41.416 22.964 28.898 26 HA CYS 4 HA CYS 4 38.596 23.231 29.771 27 HB2 CYS 4 HB2 CYS 4 39.351 25.631 29.230 28 HB3 CYS 4 HB1 CYS 4 39.984 25.079 27.745 29 H ILE 5 H ILE 5 37.420 21.918 28.683 30 HA ILE 5 HA ILE 5 38.435 20.642 26.236 31 HB ILE 5 HB ILE 5 38.389 19.032 27.815 32 HG12 ILE 5 2HG1 ILE 5 36.777 17.511 26.425 33 HG13 ILE 5 1HG1 ILE 5 36.408 19.016 25.513 34 HG21 ILE 5 1HG2 ILE 5 35.432 19.514 28.078 35 HG22 ILE 5 2HG2 ILE 5 36.589 19.681 29.287 36 HG23 ILE 5 3HG2 ILE 5 36.152 18.021 28.604 37 HD11 ILE 5 HD1 ILE 5 38.738 19.154 25.000 38 HD12 ILE 5 HD2 ILE 5 38.128 17.553 24.521 39 HD13 ILE 5 HD3 ILE 5 39.031 17.668 26.090 40 HA PRO 6 HA PRO 6 35.329 23.591 25.173 41 HB2 PRO 6 HB2 PRO 6 35.901 23.801 22.436 42 HB3 PRO 6 HB1 PRO 6 36.543 24.790 23.768 43 HG2 PRO 6 HG2 PRO 6 37.649 22.367 22.180 44 HG3 PRO 6 HG1 PRO 6 38.539 23.769 22.830 45 HD2 PRO 6 HD2 PRO 6 38.439 21.255 24.044 46 HD3 PRO 6 HD1 PRO 6 38.756 22.737 24.933 47 HA DPR 7 HA DPR 7 32.379 21.561 22.430 48 HB2 DPR 7 HB1 DPR 7 30.459 23.005 24.175 49 HB3 DPR 7 HB2 DPR 7 30.435 22.662 22.476 50 HG2 DPR 7 HG1 DPR 7 31.337 25.230 23.422 51 HG3 DPR 7 HG2 DPR 7 32.188 24.421 22.031 52 HD2 DPR 7 HD1 DPR 7 32.678 24.030 25.028 53 HD3 DPR 7 HD2 DPR 7 33.806 24.626 23.746 54 H GLU 8 H GLU 8 33.274 20.588 25.401 55 HA GLU 8 HA GLU 8 31.447 18.232 25.057 56 HB2 GLU 8 HB2 GLU 8 34.522 18.261 25.122 57 HB3 GLU 8 HB1 GLU 8 33.378 16.916 25.403 58 HG2 GLU 8 HG2 GLU 8 32.340 16.933 23.432 59 HG3 GLU 8 HG1 GLU 8 33.225 18.343 22.830 60 H DLY 9 H DLY 9 32.051 20.547 27.081 61 HA DLY 9 HA DLY 9 33.173 19.125 29.327 62 HB2 DLY 9 HB1 DLY 9 31.237 19.017 30.867 63 HB3 DLY 9 HB2 DLY 9 30.977 18.187 29.389 64 HG2 DLY 9 HG1 DLY 9 29.798 20.231 28.522 65 HG3 DLY 9 HG2 DLY 9 29.755 20.870 30.134 66 HD2 DLY 9 HD1 DLY 9 28.740 18.416 30.622 67 HD3 DLY 9 HD2 DLY 9 28.277 18.658 28.864 68 HE2 DLY 9 HE1 DLY 9 27.690 21.021 29.829 69 HE3 DLY 9 HE2 DLY 9 27.422 20.080 31.314 70 HZ1 DLY 9 HZ1 DLY 9 25.808 18.788 30.348 71 HZ2 DLY 9 HZ2 DLY 9 26.148 19.246 28.834 72 HZ3 DLY 9 HZ3 DLY 9 25.371 20.297 29.863 73 H VAL 10 H VAL 10 34.045 20.050 30.967 74 HA VAL 10 HA VAL 10 33.405 22.745 31.862 75 HB VAL 10 HB VAL 10 35.308 22.440 33.247 76 HG11 VAL 10 1HG1 VAL 10 34.197 21.236 34.949 77 HG12 VAL 10 2HG1 VAL 10 33.443 20.173 33.791 78 HG13 VAL 10 3HG1 VAL 10 32.877 21.859 33.852 79 HG21 VAL 10 1HG2 VAL 10 36.452 20.341 33.544 80 HG22 VAL 10 2HG2 VAL 10 36.300 20.347 31.832 81 HG23 VAL 10 3HG2 VAL 10 35.078 19.452 32.757 82 H CYS 11 H CYS 11 34.858 24.529 32.154 83 HA CYS 11 HA CYS 11 37.034 24.458 30.372 84 HB2 CYS 11 HB2 CYS 11 35.001 25.474 29.170 85 HB3 CYS 11 HB1 CYS 11 35.154 26.885 30.198 86 H DGL 12 H DGU 12 38.868 25.932 31.115 87 HA DGL 12 HA DGU 12 38.235 27.534 33.533 88 HB2 DGL 12 HB1 DGU 12 40.237 28.065 31.378 89 HB3 DGL 12 HB2 DGU 12 40.069 28.960 32.980 90 HG2 DGL 12 HG1 DGU 12 38.044 28.828 30.663 91 HG3 DGL 12 HG2 DGU 12 39.224 30.010 30.853 Start of MODEL 18 1 H1 HIS 1 H1 HIS 1 38.535 25.446 34.413 2 HA HIS 1 HA HIS 1 40.807 25.701 36.262 3 HB2 HIS 1 HB2 HIS 1 38.642 25.723 37.438 4 HB3 HIS 1 HB1 HIS 1 38.378 24.034 36.806 5 HD1 HIS 1 HD1 HIS 1 40.989 26.062 38.858 6 HD2 HIS 1 HD2 HIS 1 39.516 22.137 38.278 7 HE1 HIS 1 HE1 HIS 1 42.474 24.468 40.262 8 HE2 HIS 1 HE2 HIS 1 41.533 22.217 39.936 9 HA DPR 2 HA DPR 2 41.389 21.295 34.811 10 HB2 DPR 2 HB1 DPR 2 44.126 21.295 34.867 11 HB3 DPR 2 HB2 DPR 2 43.043 21.397 36.337 12 HG2 DPR 2 HG1 DPR 2 44.439 23.626 34.777 13 HG3 DPR 2 HG2 DPR 2 44.594 23.276 36.487 14 HD2 DPR 2 HD1 DPR 2 42.822 25.066 35.367 15 HD3 DPR 2 HD2 DPR 2 42.314 24.205 36.915 16 H DVA 3 H DVA 3 41.713 24.163 32.940 17 HA DVA 3 HA DVA 3 42.762 22.585 30.685 18 HB DVA 3 HB DVA 3 43.871 24.517 29.805 19 HG11 DVA 3 1HG1 DVA 3 42.812 26.407 31.092 20 HG12 DVA 3 2HG1 DVA 3 44.535 26.280 31.368 21 HG13 DVA 3 3HG1 DVA 3 43.375 25.814 32.570 22 HG21 DVA 3 1HG2 DVA 3 45.074 22.759 30.920 23 HG22 DVA 3 2HG2 DVA 3 44.839 23.464 32.548 24 HG23 DVA 3 3HG2 DVA 3 45.883 24.265 31.343 25 H CYS 4 H CYS 4 41.626 22.729 28.914 26 HA CYS 4 HA CYS 4 39.107 24.196 28.953 27 HB2 CYS 4 HB2 CYS 4 41.104 25.659 27.825 28 HB3 CYS 4 HB1 CYS 4 40.798 24.465 26.606 29 H ILE 5 H ILE 5 37.627 22.879 27.865 30 HA ILE 5 HA ILE 5 38.479 21.441 25.453 31 HB ILE 5 HB ILE 5 38.969 19.586 26.785 32 HG12 ILE 5 2HG1 ILE 5 36.776 18.148 26.533 33 HG13 ILE 5 1HG1 ILE 5 36.143 19.563 25.830 34 HG21 ILE 5 1HG2 ILE 5 37.626 18.757 28.627 35 HG22 ILE 5 2HG2 ILE 5 36.707 20.356 28.536 36 HG23 ILE 5 3HG2 ILE 5 38.442 20.160 28.922 37 HD11 ILE 5 HD1 ILE 5 38.008 19.533 24.064 38 HD12 ILE 5 HD2 ILE 5 36.969 18.050 24.043 39 HD13 ILE 5 HD3 ILE 5 38.613 18.020 24.658 40 HA PRO 6 HA PRO 6 34.707 23.812 25.489 41 HB2 PRO 6 HB2 PRO 6 35.039 23.701 22.528 42 HB3 PRO 6 HB1 PRO 6 34.695 25.084 23.645 43 HG2 PRO 6 HG2 PRO 6 37.121 24.778 22.600 44 HG3 PRO 6 HG1 PRO 6 37.032 25.120 24.340 45 HD2 PRO 6 HD2 PRO 6 37.238 22.388 23.070 46 HD3 PRO 6 HD1 PRO 6 38.229 23.253 24.416 47 HA DPR 7 HA DPR 7 31.410 21.369 23.115 48 HB2 DPR 7 HB1 DPR 7 29.919 22.273 25.526 49 HB3 DPR 7 HB2 DPR 7 29.425 22.208 23.892 50 HG2 DPR 7 HG1 DPR 7 30.106 24.571 25.100 51 HG3 DPR 7 HG2 DPR 7 30.622 24.170 23.407 52 HD2 DPR 7 HD1 DPR 7 32.217 23.801 25.929 53 HD3 DPR 7 HD2 DPR 7 32.789 24.595 24.436 54 H GLU 8 H GLU 8 33.408 20.352 25.285 55 HA GLU 8 HA GLU 8 32.016 17.758 25.928 56 HB2 GLU 8 HB2 GLU 8 34.477 18.250 24.323 57 HB3 GLU 8 HB1 GLU 8 34.002 16.759 25.008 58 HG2 GLU 8 HG2 GLU 8 31.693 16.930 23.908 59 HG3 GLU 8 HG1 GLU 8 32.336 18.285 22.892 60 H DLY 9 H DLY 9 32.233 19.790 27.772 61 HA DLY 9 HA DLY 9 34.632 19.152 29.519 62 HB2 DLY 9 HB1 DLY 9 33.512 18.352 31.187 63 HB3 DLY 9 HB2 DLY 9 32.665 17.535 29.863 64 HG2 DLY 9 HG1 DLY 9 30.820 19.193 30.013 65 HG3 DLY 9 HG2 DLY 9 31.631 19.808 31.530 66 HD2 DLY 9 HD1 DLY 9 31.338 17.545 32.462 67 HD3 DLY 9 HD2 DLY 9 30.480 17.027 30.954 68 HE2 DLY 9 HE1 DLY 9 29.520 18.975 32.956 69 HE3 DLY 9 HE2 DLY 9 28.866 17.447 32.595 70 HZ1 DLY 9 HZ1 DLY 9 28.809 19.607 30.640 71 HZ2 DLY 9 HZ2 DLY 9 27.594 19.097 31.470 72 HZ3 DLY 9 HZ3 DLY 9 28.290 18.131 30.281 73 H VAL 10 H VAL 10 34.916 20.718 31.184 74 HA VAL 10 HA VAL 10 33.633 23.320 30.448 75 HB VAL 10 HB VAL 10 33.975 23.923 32.815 76 HG11 VAL 10 1HG1 VAL 10 31.813 21.994 32.041 77 HG12 VAL 10 2HG1 VAL 10 31.732 23.552 31.560 78 HG13 VAL 10 3HG1 VAL 10 31.686 23.417 33.318 79 HG21 VAL 10 1HG2 VAL 10 35.032 22.208 33.966 80 HG22 VAL 10 2HG2 VAL 10 33.993 20.931 33.270 81 HG23 VAL 10 3HG2 VAL 10 33.374 22.089 34.436 82 H CYS 11 H CYS 11 34.967 25.012 30.267 83 HA CYS 11 HA CYS 11 37.877 24.558 30.450 84 HB2 CYS 11 HB2 CYS 11 36.591 25.267 28.407 85 HB3 CYS 11 HB1 CYS 11 36.085 26.686 29.007 86 H DGL 12 H DGU 12 39.129 26.286 31.276 87 HA DGL 12 HA DGU 12 37.967 27.687 33.567 88 HB2 DGL 12 HB1 DGU 12 38.774 29.110 31.776 89 HB3 DGL 12 HB2 DGU 12 40.304 28.384 31.682 90 HG2 DGL 12 HG1 DGU 12 40.810 29.052 34.125 91 HG3 DGL 12 HG2 DGU 12 39.270 29.899 34.139 Start of MODEL 19 1 H1 HIS 1 H1 HIS 1 38.406 25.006 33.990 2 HA HIS 1 HA HIS 1 39.975 24.643 36.556 3 HB2 HIS 1 HB2 HIS 1 37.479 24.306 36.742 4 HB3 HIS 1 HB1 HIS 1 37.535 22.955 35.721 5 HD1 HIS 1 HD1 HIS 1 38.840 23.978 39.075 6 HD2 HIS 1 HD2 HIS 1 38.452 20.622 36.647 7 HE1 HIS 1 HE1 HIS 1 39.644 21.938 40.433 8 HE2 HIS 1 HE2 HIS 1 39.312 19.844 39.012 9 HA DPR 2 HA DPR 2 41.458 20.778 34.567 10 HB2 DPR 2 HB1 DPR 2 44.230 20.980 34.636 11 HB3 DPR 2 HB2 DPR 2 43.229 20.776 36.118 12 HG2 DPR 2 HG1 DPR 2 44.292 23.299 35.103 13 HG3 DPR 2 HG2 DPR 2 44.209 22.624 36.760 14 HD2 DPR 2 HD1 DPR 2 42.400 24.537 35.752 15 HD3 DPR 2 HD2 DPR 2 41.959 23.355 36.999 16 H DVA 3 H DVA 3 41.829 23.760 33.200 17 HA DVA 3 HA DVA 3 42.648 22.770 30.521 18 HB DVA 3 HB DVA 3 43.726 24.652 30.014 19 HG11 DVA 3 1HG1 DVA 3 44.229 26.590 31.587 20 HG12 DVA 3 2HG1 DVA 3 43.071 25.889 32.666 21 HG13 DVA 3 3HG1 DVA 3 42.451 26.358 31.048 22 HG21 DVA 3 1HG2 DVA 3 44.864 22.909 31.562 23 HG22 DVA 3 2HG2 DVA 3 44.692 24.046 32.817 24 HG23 DVA 3 3HG2 DVA 3 45.712 24.460 31.342 25 H CYS 4 H CYS 4 41.685 23.285 28.680 26 HA CYS 4 HA CYS 4 39.101 24.263 29.194 27 HB2 CYS 4 HB2 CYS 4 40.456 26.337 28.898 28 HB3 CYS 4 HB1 CYS 4 41.006 25.775 27.364 29 H ILE 5 H ILE 5 37.519 23.843 27.354 30 HA ILE 5 HA ILE 5 38.551 22.111 25.240 31 HB ILE 5 HB ILE 5 38.876 20.745 27.016 32 HG12 ILE 5 2HG1 ILE 5 37.511 18.682 26.518 33 HG13 ILE 5 1HG1 ILE 5 36.325 19.704 25.701 34 HG21 ILE 5 1HG2 ILE 5 37.453 21.600 28.748 35 HG22 ILE 5 2HG2 ILE 5 37.191 19.949 28.601 36 HG23 ILE 5 3HG2 ILE 5 36.033 21.236 27.982 37 HD11 ILE 5 HD1 ILE 5 39.174 19.063 24.846 38 HD12 ILE 5 HD2 ILE 5 38.234 20.267 24.043 39 HD13 ILE 5 HD3 ILE 5 37.557 18.689 24.050 40 HA PRO 6 HA PRO 6 34.515 23.572 23.834 41 HB2 PRO 6 HB2 PRO 6 34.962 22.123 21.348 42 HB3 PRO 6 HB1 PRO 6 34.638 23.852 21.594 43 HG2 PRO 6 HG2 PRO 6 37.235 22.951 20.976 44 HG3 PRO 6 HG1 PRO 6 36.765 24.396 21.958 45 HD2 PRO 6 HD2 PRO 6 37.417 21.498 22.614 46 HD3 PRO 6 HD1 PRO 6 38.170 23.014 23.357 47 HA DPR 7 HA DPR 7 31.411 20.322 23.483 48 HB2 DPR 7 HB1 DPR 7 29.596 21.135 25.277 49 HB3 DPR 7 HB2 DPR 7 29.953 21.962 23.824 50 HG2 DPR 7 HG1 DPR 7 31.253 22.455 26.553 51 HG3 DPR 7 HG2 DPR 7 30.525 23.759 25.542 52 HD2 DPR 7 HD1 DPR 7 33.050 23.529 25.377 53 HD3 DPR 7 HD2 DPR 7 32.141 23.696 23.835 54 H GLU 8 H GLU 8 33.738 19.447 24.780 55 HA GLU 8 HA GLU 8 32.536 17.464 26.441 56 HB2 GLU 8 HB2 GLU 8 35.228 17.825 25.248 57 HB3 GLU 8 HB1 GLU 8 35.026 16.442 26.175 58 HG2 GLU 8 HG2 GLU 8 32.792 16.282 24.416 59 HG3 GLU 8 HG1 GLU 8 34.051 17.046 23.500 60 H DLY 9 H DLY 9 32.616 20.170 27.850 61 HA DLY 9 HA DLY 9 34.399 19.476 30.116 62 HB2 DLY 9 HB1 DLY 9 31.439 20.128 30.473 63 HB3 DLY 9 HB2 DLY 9 32.626 19.864 31.658 64 HG2 DLY 9 HG1 DLY 9 32.832 17.518 30.823 65 HG3 DLY 9 HG2 DLY 9 31.448 17.804 29.778 66 HD2 DLY 9 HD1 DLY 9 30.066 18.463 31.670 67 HD3 DLY 9 HD2 DLY 9 31.287 18.077 32.812 68 HE2 DLY 9 HE1 DLY 9 31.230 15.678 32.436 69 HE3 DLY 9 HE2 DLY 9 30.086 16.089 31.066 70 HZ1 DLY 9 HZ1 DLY 9 29.015 15.488 33.244 71 HZ2 DLY 9 HZ2 DLY 9 28.628 16.966 32.758 72 HZ3 DLY 9 HZ3 DLY 9 29.691 16.773 33.952 73 H VAL 10 H VAL 10 34.658 21.248 31.571 74 HA VAL 10 HA VAL 10 33.631 23.823 30.604 75 HB VAL 10 HB VAL 10 34.244 24.682 32.903 76 HG11 VAL 10 1HG1 VAL 10 32.059 23.930 32.093 77 HG12 VAL 10 2HG1 VAL 10 32.160 23.712 33.849 78 HG13 VAL 10 3HG1 VAL 10 32.276 22.310 32.692 79 HG21 VAL 10 1HG2 VAL 10 35.828 22.673 33.487 80 HG22 VAL 10 2HG2 VAL 10 34.451 21.697 33.613 81 HG23 VAL 10 3HG2 VAL 10 34.686 23.096 34.741 82 H CYS 11 H CYS 11 34.799 25.792 30.685 83 HA CYS 11 HA CYS 11 37.727 25.449 30.132 84 HB2 CYS 11 HB2 CYS 11 36.132 26.542 28.522 85 HB3 CYS 11 HB1 CYS 11 35.907 27.847 29.591 86 H DGL 12 H DGU 12 39.182 25.989 31.681 87 HA DGL 12 HA DGU 12 38.503 27.739 33.927 88 HB2 DGL 12 HB1 DGU 12 41.065 27.586 32.374 89 HB3 DGL 12 HB2 DGU 12 40.688 28.571 33.766 90 HG2 DGL 12 HG1 DGU 12 38.872 29.689 32.753 91 HG3 DGL 12 HG2 DGU 12 39.359 29.095 31.156 Start of MODEL 20 1 H1 HIS 1 H1 HIS 1 37.879 25.498 34.373 2 HA HIS 1 HA HIS 1 40.071 25.090 36.340 3 HB2 HIS 1 HB2 HIS 1 37.695 25.047 37.010 4 HB3 HIS 1 HB1 HIS 1 37.430 23.642 35.997 5 HD1 HIS 1 HD1 HIS 1 38.880 24.625 39.279 6 HD2 HIS 1 HD2 HIS 1 38.927 21.272 36.651 7 HE1 HIS 1 HE1 HIS 1 40.032 22.645 40.489 8 HE2 HIS 1 HE2 HIS 1 39.731 20.598 38.908 9 HA DPR 2 HA DPR 2 41.431 21.275 34.749 10 HB2 DPR 2 HB1 DPR 2 44.173 22.297 35.023 11 HB3 DPR 2 HB2 DPR 2 43.391 20.925 35.926 12 HG2 DPR 2 HG1 DPR 2 44.175 23.314 36.893 13 HG3 DPR 2 HG2 DPR 2 42.770 22.387 37.560 14 HD2 DPR 2 HD1 DPR 2 42.403 24.862 35.891 15 HD3 DPR 2 HD2 DPR 2 41.532 24.100 37.267 16 H DVA 3 H DVA 3 41.762 24.132 32.971 17 HA DVA 3 HA DVA 3 42.949 22.599 30.699 18 HB DVA 3 HB DVA 3 43.919 24.617 29.895 19 HG11 DVA 3 1HG1 DVA 3 43.657 26.877 31.059 20 HG12 DVA 3 2HG1 DVA 3 42.738 26.076 32.331 21 HG13 DVA 3 3HG1 DVA 3 42.226 26.240 30.577 22 HG21 DVA 3 1HG2 DVA 3 44.550 24.476 32.880 23 HG22 DVA 3 2HG2 DVA 3 45.427 25.422 31.676 24 HG23 DVA 3 3HG2 DVA 3 45.313 23.645 31.532 25 H CYS 4 H CYS 4 41.874 22.764 28.714 26 HA CYS 4 HA CYS 4 39.243 24.205 28.845 27 HB2 CYS 4 HB2 CYS 4 41.357 25.528 28.196 28 HB3 CYS 4 HB1 CYS 4 41.252 24.727 26.684 29 H ILE 5 H ILE 5 37.770 22.712 28.272 30 HA ILE 5 HA ILE 5 38.168 21.631 25.488 31 HB ILE 5 HB ILE 5 39.078 20.081 26.905 32 HG12 ILE 5 2HG1 ILE 5 37.515 18.050 26.511 33 HG13 ILE 5 1HG1 ILE 5 36.310 19.133 25.981 34 HG21 ILE 5 1HG2 ILE 5 38.263 20.341 29.175 35 HG22 ILE 5 2HG2 ILE 5 37.799 18.820 28.555 36 HG23 ILE 5 3HG2 ILE 5 36.541 20.013 28.553 37 HD11 ILE 5 HD1 ILE 5 37.884 19.919 24.060 38 HD12 ILE 5 HD2 ILE 5 37.652 18.207 24.106 39 HD13 ILE 5 HD3 ILE 5 39.115 18.800 24.767 40 HA PRO 6 HA PRO 6 34.269 23.861 26.079 41 HB2 PRO 6 HB2 PRO 6 34.920 24.516 23.253 42 HB3 PRO 6 HB1 PRO 6 34.206 25.560 24.512 43 HG2 PRO 6 HG2 PRO 6 36.798 25.851 23.860 44 HG3 PRO 6 HG1 PRO 6 36.377 25.796 25.582 45 HD2 PRO 6 HD2 PRO 6 37.366 23.494 23.834 46 HD3 PRO 6 HD1 PRO 6 37.969 23.987 25.461 47 HA DPR 7 HA DPR 7 31.703 21.500 23.315 48 HB2 DPR 7 HB1 DPR 7 29.431 21.419 24.560 49 HB3 DPR 7 HB2 DPR 7 30.225 22.953 24.062 50 HG2 DPR 7 HG1 DPR 7 30.214 21.793 26.790 51 HG3 DPR 7 HG2 DPR 7 29.792 23.399 26.309 52 HD2 DPR 7 HD1 DPR 7 32.364 22.726 27.093 53 HD3 DPR 7 HD2 DPR 7 32.060 24.063 25.856 54 H GLU 8 H GLU 8 33.535 20.116 25.393 55 HA GLU 8 HA GLU 8 31.922 17.740 25.996 56 HB2 GLU 8 HB2 GLU 8 34.659 17.324 24.729 57 HB3 GLU 8 HB1 GLU 8 33.377 16.235 25.174 58 HG2 GLU 8 HG2 GLU 8 31.865 16.999 23.711 59 HG3 GLU 8 HG1 GLU 8 32.956 18.324 23.128 60 H DLY 9 H DLY 9 32.818 19.906 27.567 61 HA DLY 9 HA DLY 9 34.788 19.120 29.464 62 HB2 DLY 9 HB1 DLY 9 31.823 19.118 30.172 63 HB3 DLY 9 HB2 DLY 9 33.163 19.017 31.351 64 HG2 DLY 9 HG1 DLY 9 33.828 16.829 30.462 65 HG3 DLY 9 HG2 DLY 9 32.208 16.837 29.661 66 HD2 DLY 9 HD1 DLY 9 31.197 17.285 31.995 67 HD3 DLY 9 HD2 DLY 9 32.753 17.198 32.608 68 HE2 DLY 9 HE1 DLY 9 32.990 14.742 31.747 69 HE3 DLY 9 HE2 DLY 9 31.353 14.838 31.257 70 HZ1 DLY 9 HZ1 DLY 9 30.921 15.476 33.623 71 HZ2 DLY 9 HZ2 DLY 9 32.516 15.221 33.980 72 HZ3 DLY 9 HZ3 DLY 9 31.464 14.014 33.468 73 H VAL 10 H VAL 10 35.377 20.963 30.518 74 HA VAL 10 HA VAL 10 33.844 23.508 30.245 75 HB VAL 10 HB VAL 10 34.342 23.950 32.618 76 HG11 VAL 10 1HG1 VAL 10 32.447 21.535 32.332 77 HG12 VAL 10 2HG1 VAL 10 32.219 23.160 31.883 78 HG13 VAL 10 3HG1 VAL 10 32.463 22.719 33.607 79 HG21 VAL 10 1HG2 VAL 10 36.141 22.195 32.792 80 HG22 VAL 10 2HG2 VAL 10 34.867 20.990 32.781 81 HG23 VAL 10 3HG2 VAL 10 34.975 22.134 34.169 82 H CYS 11 H CYS 11 35.206 25.360 30.431 83 HA CYS 11 HA CYS 11 38.121 24.917 30.207 84 HB2 CYS 11 HB2 CYS 11 37.043 25.626 28.026 85 HB3 CYS 11 HB1 CYS 11 36.472 27.044 28.833 86 H DGL 12 H DGU 12 39.257 25.766 31.744 87 HA DGL 12 HA DGU 12 38.176 27.714 33.674 88 HB2 DGL 12 HB1 DGU 12 40.889 28.256 32.158 89 HB3 DGL 12 HB2 DGU 12 40.179 28.963 33.594 90 HG2 DGL 12 HG1 DGU 12 38.893 29.108 30.926 91 HG3 DGL 12 HG2 DGU 12 40.065 30.276 31.589
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