NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3292 8.1744 110.9431 61.3138 70.5309 173.3784 6 N 4.7289 7.9433 119.7225 53.3057 39.1942 173.4374 7 S 4.4354 8.1272 112.0020 57.5171 64.8003 172.9673 8 D 4.8459 8.5498 121.9371 54.5643 42.3956 174.5166 9 F 5.3472 7.8594 115.6148 55.2239 41.4592 174.0080 10 V 4.5040 8.6857 112.5730 59.5684 35.0700 174.8036 11 V 4.8171 8.4643 123.3680 61.3278 33.9377 174.4408 12 I 4.8956 8.9553 128.5607 59.4277 40.6257 174.1175 13 K 5.0335 9.2295 129.3351 54.2734 34.3219 175.1233 14 A 4.4212 8.7912 130.5001 52.3023 19.0516 177.3598 15 L 4.6674 8.8852 122.7611 54.5621 42.4621 176.0526 16 E 4.6758 7.6325 115.5062 55.0909 32.0816 174.5140 17 D 4.4575 8.4102 119.6268 55.6144 41.3664 176.9116 18 G 3.8735 8.5062 109.8961 45.8467 0.0000 173.8751 19 V 3.8186 7.6224 119.4552 63.0491 32.8598 174.2633 20 N 5.3010 9.0943 125.8286 51.9301 41.5689 172.9899 21 V 4.5400 8.8257 127.7416 61.4108 33.5879 174.2928 22 I 4.5337 8.7294 129.8553 59.3677 39.6479 174.9407 23 G 4.1567 9.0573 115.7123 45.2115 0.0000 172.5886 24 L 5.2130 9.0792 127.1701 53.5864 43.5146 176.6532 25 T 4.4725 8.6831 114.3703 61.8362 69.1822 174.2465 26 R 4.4010 7.9390 125.7732 57.2720 31.2342 175.3652 27 G 3.8285 8.8341 108.2459 44.1003 0.0000 173.7906 28 A 3.8824 8.7437 120.8923 54.6398 18.6264 177.7969 29 D 4.8958 7.2328 111.5117 53.2092 42.6701 176.4799 30 T 4.5572 8.2156 121.3357 61.1839 69.0820 172.6810 31 R 4.9230 8.7964 122.6756 53.8212 33.8395 174.2324 32 F 4.7554 8.8176 117.8212 58.2869 38.8084 175.5278 33 H 4.5918 9.6545 125.1335 59.1387 30.5724 174.9050 34 H 4.7641 7.8505 115.1778 55.0533 33.2927 172.2081 35 S 4.8537 8.2826 119.0952 56.4804 64.5705 172.3744 36 E 4.5037 9.1386 129.6760 54.6886 31.1616 174.6132 37 K 4.9143 8.6259 126.7589 55.3987 33.6206 175.9116 38 L 4.9476 9.0265 125.4720 53.0824 44.6246 176.0166 39 D 4.9697 9.2244 123.0338 52.6816 43.0354 175.9257 40 K 3.8992 8.7608 121.7812 58.7431 32.2903 176.9413 41 G 4.0383 9.2143 115.6106 45.1578 0.0000 173.5148 42 E 4.2052 8.1180 119.7310 56.3395 30.7401 176.0218 43 V 4.9166 8.3249 122.6606 61.0072 34.0384 174.1999 44 L 4.7106 9.1183 130.0141 53.2957 44.6159 174.7832 45 I 4.9943 8.4776 126.7868 59.6767 38.8986 174.7786 46 A 4.7072 9.0193 129.4500 50.0868 21.8403 175.2943 47 Q 4.7786 8.6454 121.0832 55.0158 30.3366 175.8844 48 F 4.5952 8.4358 120.9124 58.0252 39.1280 175.1013 49 T 4.7262 8.8046 111.5590 59.9043 71.9695 173.8466 50 E 4.0088 8.9811 120.9664 59.4543 29.6158 177.4533 51 H 4.5724 7.7698 111.2415 56.1848 29.9843 174.3197 52 T 5.5231 8.1094 116.8162 60.8163 71.2552 174.5217 53 S 4.9125 8.9992 119.3274 58.0053 65.1481 173.2448 54 A 5.1568 7.9200 121.6149 50.9793 22.6938 175.0697 55 I 4.9685 8.5836 121.0384 59.3870 40.2710 174.7418 56 K 4.5695 8.9228 128.6805 54.5335 34.5763 174.7764 57 V 4.8087 8.3752 126.5361 61.2432 33.6185 174.5398 58 R 4.5640 9.1906 127.3186 55.7297 32.7846 176.7542 59 G 4.1182 8.9413 108.1146 44.3546 0.0000 172.4010 60 K 4.7664 9.4502 120.2796 55.3299 33.0398 175.5402 61 A 5.1145 8.5021 127.0234 51.0032 23.4601 173.7268 62 Y 4.9899 9.2439 121.9373 56.0252 41.1067 174.5664 63 I 4.9503 8.1890 127.1830 59.4852 40.9781 174.2797 64 Q 4.9610 8.9810 126.0376 54.2935 31.7422 174.9209 65 T 4.7576 8.6414 113.2253 59.4785 72.4425 174.7079 66 R 3.7818 8.5138 120.5799 59.3976 29.9430 176.5398 67 H 4.6509 8.3403 112.7525 55.4467 29.3791 174.6270 68 G 3.7495 6.6864 106.5358 44.1009 0.0000 172.9585 69 V 4.7178 7.7331 112.5633 60.0278 34.2707 175.3670 70 I 4.3915 8.0858 121.1745 60.1732 41.9053 172.7360 71 E 5.2630 8.6580 127.1945 54.5765 31.5746 175.9599 72 S 4.5469 8.8093 119.4622 58.1045 64.7929 173.0240 73 E 4.8994 8.5430 120.3202 53.9825 32.5540 178.9294 74 G 3.9469 8.5723 109.7740 45.3158 0.0000 173.8721 75 K 4.2079 8.7377 121.8908 56.9900 31.9236 175.5670 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 5 T 8.17 4.33 4.25 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 1.22 0.00 0.00 6 N 7.94 4.73 0.00 2.78 2.85 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.13 4.44 0.00 4.09 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.55 4.85 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 9 F 7.86 5.35 0.00 3.01 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 10 V 8.69 4.50 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 0.54 0.00 0.00 0.79 0.00 0.00 11 V 8.46 4.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.14 0.00 0.00 12 I 8.96 4.90 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 0.91 0.00 0.00 13 K 9.23 5.03 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.79 4.42 1.38 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 0.00 0.00 0.00 15 L 8.89 4.67 0.00 1.66 1.72 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.63 4.68 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 17 D 8.41 4.46 0.00 2.69 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 18 G 8.51 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.62 3.82 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 0.86 0.00 0.00 1.03 0.00 0.00 20 N 9.09 5.30 0.00 2.80 2.61 0.00 0.00 6.55 7.27 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 21 V 8.83 4.54 2.04 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 0.80 0.00 0.00 0.90 0.00 0.00 22 I 8.73 4.53 1.66 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.27 -0.19 0.00 0.00 23 G 9.06 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 0.00 0.00 0.00 24 L 9.08 5.21 0.00 1.75 1.66 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.68 4.47 4.29 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 1.35 0.00 0.00 26 R 7.94 4.40 0.00 1.85 1.94 0.00 3.23 0.00 0.00 3.06 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.42 0.00 27 G 8.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 3.88 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.23 4.90 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.22 4.56 4.28 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 1.27 0.00 0.00 31 R 8.80 4.92 0.00 1.86 2.06 0.00 2.79 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 32 F 8.82 4.76 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 9.65 4.59 0.00 3.14 3.54 0.00 5.99 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.85 4.76 0.00 3.18 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.28 4.85 0.00 3.73 3.67 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 36 E 9.14 4.50 0.00 2.15 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 37 K 8.63 4.91 0.00 1.67 1.73 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81 38 L 9.03 4.95 0.00 1.52 1.54 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.22 4.97 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.90 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 41 G 9.21 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 0.00 0.00 0.00 42 E 8.12 4.21 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 43 V 8.32 4.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 44 L 9.12 4.71 0.00 1.73 1.47 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.99 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 0.72 0.00 0.00 46 A 9.02 4.71 1.12 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 47 Q 8.65 4.78 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 48 F 8.44 4.60 0.00 3.03 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 49 T 8.80 4.73 4.29 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 1.29 0.00 0.00 50 E 8.98 4.01 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 51 H 7.77 4.57 0.00 3.14 2.83 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.11 5.52 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 53 S 9.00 4.91 0.00 3.79 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 54 A 7.92 5.16 1.27 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 55 I 8.58 4.97 1.85 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.88 0.00 0.00 56 K 8.92 4.57 0.00 1.80 1.56 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 57 V 8.38 4.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.19 4.56 0.00 1.77 1.80 0.00 3.19 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 59 G 8.94 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 60 K 9.45 4.77 0.00 1.85 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.50 5.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.24 4.99 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 4.95 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.48 0.87 0.00 0.00 64 Q 8.98 4.96 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 65 T 8.64 4.76 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 1.14 0.00 0.00 66 R 8.51 3.78 0.00 1.60 1.75 0.00 3.16 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 67 H 8.34 4.65 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.73 4.72 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.96 0.00 0.00 70 I 8.09 4.39 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.29 0.83 0.00 0.00 71 E 8.66 5.26 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 72 S 8.81 4.55 0.00 3.92 3.97 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 73 E 8.54 4.90 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 74 G 8.57 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 75 K 8.74 4.21 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.49 7.81