NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2443 8.2549 117.2725 56.4244 30.6502 175.7369 11 S 4.1110 8.8741 112.9557 57.7595 62.7177 174.1831 12 G 3.7099 7.7731 112.6598 48.0710 0.0000 176.1183 13 R 3.9117 7.6130 115.4648 58.7179 29.8498 177.2553 14 F 5.1069 8.4845 117.3036 56.7707 39.7162 176.6050 15 G 3.8441 7.3756 111.0553 47.2314 0.0000 174.2914 16 A 4.6058 8.6326 126.8999 51.9107 19.1431 177.0531 17 R 4.1773 8.1055 118.8494 57.3027 31.6063 177.7653 18 Y 3.5333 8.0564 115.0584 57.3850 36.3347 170.7762 19 G 4.1171 7.4931 106.8051 44.4136 0.0000 174.3665 20 R 3.5704 8.9466 113.0833 60.2401 30.1216 180.5036 21 V 3.2982 7.9817 120.9795 66.2657 33.6876 176.2907 22 S 4.1077 8.2032 114.9348 61.8058 62.9030 176.4344 23 R 4.3183 7.9853 117.0645 58.0327 29.4043 178.5971 24 R 3.9587 8.0152 120.6742 59.6300 30.2576 178.3747 25 R 3.9896 7.9314 117.3933 58.6780 29.8684 179.3693 26 V 3.4687 7.7400 117.8584 65.8428 31.6485 177.4895 27 A 3.9921 7.8115 120.3161 56.3228 18.1364 178.6438 28 E 3.9432 8.6358 116.6964 58.4238 29.1990 179.6475 29 I 3.5923 7.9643 119.8317 64.9492 37.6882 178.1473 30 E 4.0047 8.4808 119.5416 59.1857 29.0627 179.1091 31 S 4.0621 8.1878 112.7080 61.4504 62.7229 175.5581 32 E 4.2582 8.3907 121.9092 59.7441 29.2365 178.4227 33 M 4.5296 8.2349 118.2984 57.7648 32.3156 176.8680 34 N 4.8663 8.2882 114.3502 52.4494 39.2494 174.7543 35 E 4.2324 7.7833 121.0098 55.8216 30.3651 175.8788 36 D 4.6095 8.2852 120.0324 54.4143 41.7678 175.8927 37 H 5.0815 8.5769 119.9368 53.7065 32.6093 172.9370 38 A 4.6725 8.5602 123.8182 51.2512 18.9294 176.9742 39 C 4.2604 8.8069 124.1988 59.5841 32.1307 173.2668 40 P 4.1895 0.0000 0.0000 64.6066 31.4362 176.5128 41 N 4.0290 7.4582 115.8131 54.6167 38.1975 176.0822 42 C 4.1503 8.5382 118.0277 62.6744 30.4617 175.4812 43 G 3.9935 8.2300 105.8100 43.7006 0.0000 173.6704 44 E 4.0733 8.0599 120.2715 56.0191 30.8874 176.6700 45 D 5.8500 8.3903 123.2971 53.3012 38.6375 176.3865 46 R 4.8223 7.8161 124.0748 55.5964 32.3747 174.2132 47 V 5.0425 8.2414 118.4737 61.7598 33.2984 174.5602 48 D 5.2329 9.5807 126.9436 52.1837 45.0133 175.3203 49 R 3.3707 8.7855 122.7597 56.4589 30.7597 175.8827 50 Q 4.2967 9.8741 124.2112 57.4232 30.3964 175.3091 51 G 3.5096 6.8745 108.2984 44.9977 0.0000 173.9278 52 T 3.7295 8.3061 122.6202 64.3170 67.7526 174.7606 53 G 3.9478 8.3733 114.8972 45.8721 0.0000 170.8197 54 I 4.6484 6.8064 120.7864 59.1263 39.4433 174.7255 55 W 5.1160 8.6919 126.4538 55.0490 33.1570 174.2479 56 Q 5.1367 9.0919 121.7155 55.1298 32.8846 173.1801 57 C 5.8857 9.5365 125.8778 57.3664 32.1730 174.2360 58 S 3.8738 9.1160 122.0837 61.0328 62.3192 174.1492 59 Y 4.4446 8.3368 121.7352 59.4526 39.0013 175.0274 60 C 3.9696 8.1331 118.5999 58.7851 30.8342 174.6209 61 D 4.7397 8.5802 119.8477 54.6026 38.7385 173.4556 62 Y 4.5619 7.9032 121.0206 58.1330 40.0199 174.8396 63 K 5.1317 8.1253 125.9889 54.6741 35.1325 174.8439 64 F 4.9496 9.1227 121.7886 55.8301 41.9186 173.1651 65 T 4.7428 8.5365 109.3227 61.4488 70.0889 173.9818 66 G 4.1529 8.5285 108.9625 46.0819 0.0000 172.8365 67 G 4.2657 8.0791 108.3955 45.2225 0.0000 174.8418 68 S 3.6786 8.7462 116.0282 61.1122 63.0190 175.3386 69 Y 4.9752 7.9532 113.5660 57.3066 39.3249 174.9327 70 K 4.8226 7.9882 119.6460 53.6450 35.8553 175.6886 71 P 2.9700 0.0000 0.0000 64.0677 31.5871 176.0720 72 E 4.6210 7.6962 117.8275 54.2982 32.2546 174.8478 73 T 4.5961 8.2188 113.6469 59.4471 71.0796 173.8226 74 P 4.1961 0.0000 0.0000 65.9415 31.1894 178.8703 75 G 3.8194 8.0576 103.2184 47.6113 0.0000 175.6812 76 G 3.7657 8.8299 108.5093 47.3187 0.0000 176.0842 77 K 4.1010 7.9820 120.3454 59.6996 32.0963 179.0382 78 T 3.8621 7.5254 114.6227 66.7045 68.1399 176.2356 79 V 3.5561 7.0849 117.6727 66.3817 31.5270 177.1368 80 R 4.0684 7.4188 115.6627 59.4939 30.7068 178.8493 81 R 4.2253 7.7115 115.3724 55.6552 29.6384 176.7876 82 S 4.0773 8.7371 115.6634 59.9635 64.1976 171.9606 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 10 R 8.25 4.24 0.00 1.92 1.21 0.00 3.00 0.00 0.00 3.22 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 11 S 8.87 4.11 0.00 4.07 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.77 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.61 3.91 0.00 1.78 1.91 0.00 2.71 0.00 0.00 2.99 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.71 0.00 14 F 8.48 5.11 0.00 3.39 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.38 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.63 4.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.11 4.18 0.00 1.73 0.77 0.00 2.92 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 18 Y 8.06 3.53 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.49 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.95 3.57 0.00 1.89 1.81 0.00 3.17 0.00 0.00 3.27 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 21 V 7.98 3.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 22 S 8.20 4.11 0.00 4.05 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.99 4.32 0.00 2.31 2.42 0.00 2.98 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 24 R 8.02 3.96 0.00 1.94 2.12 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 25 R 7.93 3.99 0.00 2.04 1.92 0.00 3.15 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 26 V 7.74 3.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.11 0.00 0.00 27 A 7.81 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.64 3.94 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 29 I 7.96 3.59 1.75 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.48 0.00 0.00 30 E 8.48 4.00 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 31 S 8.19 4.06 0.00 3.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.39 4.26 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 33 M 8.23 4.53 0.00 2.33 2.47 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.60 0.00 34 N 8.29 4.87 0.00 2.87 2.87 0.00 0.00 7.04 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.78 4.23 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 36 D 8.29 4.61 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.58 5.08 0.00 3.09 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.56 4.67 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.81 4.26 0.00 3.18 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.19 0.00 1.73 1.86 0.00 3.48 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.83 0.00 41 N 7.46 4.03 0.00 2.28 2.46 0.00 0.00 6.94 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.54 4.15 0.00 3.45 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.23 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.06 4.07 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.18 0.00 45 D 8.39 5.85 0.00 2.55 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.82 4.82 0.00 1.80 1.96 0.00 3.17 0.00 0.00 3.45 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 47 V 8.24 5.04 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.14 0.00 0.00 48 D 9.58 5.23 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.79 3.37 0.00 1.01 1.47 0.00 2.90 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 50 Q 9.87 4.30 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 51 G 6.87 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.31 3.73 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 53 G 8.37 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 6.81 4.65 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.75 0.00 0.00 55 W 8.69 5.12 0.00 2.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 9.09 5.14 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 57 C 9.54 5.89 0.00 3.30 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 9.12 3.87 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.34 4.44 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.13 3.97 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.58 4.74 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.90 4.56 0.00 3.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.13 5.13 0.00 1.74 1.56 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.23 1.37 7.81 64 F 9.12 4.95 0.00 3.02 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.54 4.74 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 66 G 8.53 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.75 3.68 0.00 3.44 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.95 4.98 0.00 3.15 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.99 4.82 0.00 1.69 1.66 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.47 7.81 71 P 0.00 2.97 0.00 1.81 0.93 0.00 3.20 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.41 0.00 72 E 7.70 4.62 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 73 T 8.22 4.60 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 74 P 0.00 4.20 0.00 2.19 2.17 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 75 G 8.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.98 4.10 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.72 7.81 78 T 7.53 3.86 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 79 V 7.08 3.56 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 80 R 7.42 4.07 0.00 1.81 2.02 0.00 3.32 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 81 R 7.71 4.23 0.00 1.90 1.84 0.00 3.32 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 82 S 8.74 4.08 0.00 4.13 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00