NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4057 8.1849 120.6293 54.8595 42.7555 176.1855 2 N 4.7493 9.9533 119.9316 50.6628 41.4642 172.8814 3 T 4.7758 7.9008 107.4673 58.7644 74.4274 173.8469 4 F 4.2103 8.9178 121.3488 61.7814 39.2532 176.1826 5 Y 4.4325 8.2010 115.6933 61.4881 37.7747 178.2116 6 D 4.4024 7.9129 119.6489 57.6731 40.9381 179.3317 7 V 3.6020 7.6675 117.9955 65.9644 31.5674 178.0729 8 Q 3.8446 7.7428 117.9323 59.0348 28.2788 178.8021 9 Q 3.9722 7.8027 118.0509 58.7100 29.1184 178.3370 10 L 4.1645 7.8026 121.4940 58.0601 42.2105 178.7696 11 L 4.5331 8.2554 118.2680 56.8925 41.1194 179.2560 12 K 4.2954 7.9091 120.0321 58.9993 31.6795 178.9994 13 T 3.7960 7.3647 113.7485 65.1210 68.2588 175.4205 14 F 4.9584 9.1584 117.4204 55.4284 40.2626 174.8983 15 G 4.3918 6.7659 109.2176 44.2940 0.0000 171.9069 16 H 4.2282 8.1272 120.1236 55.5269 30.5147 174.8103 17 I 3.8711 7.1796 123.9168 61.0414 37.4553 176.5712 18 V 3.7901 8.0780 118.7392 60.7919 32.2883 175.2104 19 Y 4.6324 7.9791 123.5160 56.1942 40.6785 174.4492 20 F 4.6909 8.5720 125.9061 57.1478 40.8083 177.1028 21 G 3.6111 8.9174 107.5929 44.8860 0.0000 173.3348 22 D 4.4399 7.8052 118.8759 51.6037 43.7628 175.1737 23 R 3.8083 8.7274 127.9819 59.5200 30.0687 177.5746 24 E 3.9271 8.2585 118.3147 59.5720 29.7140 178.7560 25 L 4.1703 8.1095 118.3111 57.7921 41.5403 179.4679 26 E 4.1843 8.4898 118.7576 59.5112 29.4295 179.4134 27 I 3.9267 8.0980 119.8960 64.5275 37.2836 178.3196 28 E 4.1179 8.4634 119.4778 59.3162 29.1946 179.2937 29 F 4.1516 8.6662 120.6923 61.6832 39.5650 177.1831 30 M 4.1668 8.6898 118.6274 58.3191 31.7591 178.6849 31 L 4.0019 8.5370 119.5335 57.9031 41.8767 179.2665 32 D 4.3298 7.9370 118.4393 57.4040 40.7660 178.4838 33 E 3.7597 8.1796 120.0268 59.1960 29.5037 178.7655 34 L 4.0166 8.3233 119.4275 57.6551 41.6975 179.3947 35 K 4.1133 8.2983 119.4579 59.7001 32.1676 178.6781 36 E 3.9213 8.0754 118.6268 59.3684 29.2975 179.3130 37 L 3.8220 7.9487 119.0050 57.8097 41.6538 178.9395 38 Y 4.0793 8.1385 119.4988 61.0862 38.5326 178.0732 39 M 3.8775 7.8419 117.2561 57.0470 31.9659 177.3245 40 N 4.7950 7.3562 115.0337 52.1912 39.0806 174.2001 41 H 3.9507 7.6295 115.4478 57.0961 26.9623 176.0552 42 M 4.3940 8.1986 120.9116 57.0901 32.1826 176.7416 43 I 4.8371 7.2850 110.0261 57.9904 41.0827 175.2874 44 E 4.3882 8.6113 121.1274 55.7887 31.4216 178.0499 45 K 3.8876 8.8114 121.5539 59.8268 32.2714 178.6197 46 E 3.9461 8.2311 118.9648 59.4989 29.6116 178.7050 47 Q 4.0186 8.0880 117.6089 58.5083 28.7663 178.3004 48 W 3.9866 8.3140 129.1448 60.3810 30.7549 177.8406 49 A 3.1138 8.1619 120.8497 54.8984 17.7373 179.5956 50 R 3.6925 7.9735 116.9211 59.3488 30.1031 178.5942 51 A 3.8619 8.0414 120.4179 55.0757 18.3901 179.3284 52 A 3.7001 7.7192 119.2809 55.2447 18.3207 179.6668 53 A 3.8297 7.6612 119.1532 55.1808 18.3175 179.9937 54 V 3.5067 7.8249 116.8377 66.2267 31.5898 178.3124 55 L 4.0751 8.0977 118.7901 57.9206 41.4359 179.7343 56 R 3.9188 8.4212 118.5052 58.9639 30.0111 179.0730 57 K 3.9344 8.1464 119.6396 59.4708 32.1847 178.7801 58 E 3.9364 8.4232 119.2433 59.2212 29.1537 178.9699 59 L 3.9232 8.3297 119.6220 58.3843 42.2254 178.6562 60 E 4.0997 7.9367 117.1642 59.4727 29.4139 179.1144 61 Q 4.1133 7.6924 117.1891 59.0335 28.8945 176.9631 62 T 4.1648 8.1174 120.5949 63.7814 68.6691 174.2984 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 1 L 8.18 4.41 0.00 1.64 1.69 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 2 N 9.95 4.75 0.00 2.75 2.79 0.00 0.00 6.83 6.66 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 3 T 7.90 4.78 4.26 0.00 0.00 0.00 0.00 0.00 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 4 F 8.92 4.21 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.20 4.43 0.00 3.01 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 6 D 7.91 4.40 0.00 2.86 2.74 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 0.00 0.00 0.00 7 V 7.67 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 8 Q 7.74 3.84 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 9 Q 7.80 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 10 L 7.80 4.16 0.00 1.83 1.85 1.12 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.26 4.53 0.00 1.90 1.81 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.91 4.30 0.00 1.97 1.81 0.00 1.57 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 13 T 7.36 3.80 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 14 F 9.16 4.96 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 6.77 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.23 0.00 3.13 3.27 0.00 5.93 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.18 3.87 1.66 0.00 0.00 0.70 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 0.43 0.84 0.00 0.00 18 V 8.08 3.79 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.67 0.00 0.00 19 Y 7.98 4.63 0.00 2.73 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.69 0.00 2.95 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.81 4.44 0.00 2.67 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 23 R 8.73 3.81 0.00 1.85 1.84 0.00 2.36 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 24 E 8.26 3.93 0.00 2.07 2.16 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 2.53 2.42 0.00 25 L 8.11 4.17 0.00 1.94 1.84 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.49 4.18 0.00 2.29 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 1.75 2.33 0.00 27 I 8.10 3.93 2.10 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.71 1.03 0.00 0.00 28 E 8.46 4.12 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 29 F 8.67 4.15 0.00 3.64 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.69 4.17 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.74 0.00 31 L 8.54 4.00 0.00 1.83 1.74 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.94 4.33 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.18 3.76 0.00 1.69 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 2.23 2.26 0.00 34 L 8.32 4.02 0.00 1.98 1.90 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.30 4.11 0.00 2.03 2.05 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 36 E 8.08 3.92 0.00 2.12 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 37 L 7.95 3.82 0.00 1.72 1.41 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.14 4.08 0.00 2.64 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 M 7.84 3.88 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.35 0.00 40 N 7.36 4.80 0.00 2.62 2.80 0.00 0.00 7.03 9.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.63 3.95 0.00 3.21 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.20 4.39 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 43 I 7.28 4.84 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 1.00 0.00 0.00 44 E 8.61 4.39 0.00 2.33 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 2.47 2.37 0.00 45 K 8.81 3.89 0.00 2.08 1.95 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.64 7.81 46 E 8.23 3.95 0.00 2.12 1.97 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 2.39 2.42 0.00 47 Q 8.09 4.02 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 48 W 8.31 3.99 0.00 3.18 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 49 A 8.16 3.11 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 50 R 7.97 3.69 0.00 1.96 1.88 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 51 A 8.04 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 3.70 0.74 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 0.00 0.00 0.00 0.00 0.00 53 A 7.66 3.83 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 54 V 7.82 3.51 2.21 0.00 0.00 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 0.89 0.00 0.00 55 L 8.10 4.08 0.00 1.86 1.76 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.42 3.92 0.00 1.90 1.94 0.00 3.03 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 57 K 8.15 3.93 0.00 1.80 2.01 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 58 E 8.42 3.94 0.00 2.24 1.94 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 2.58 2.68 0.00 59 L 8.33 3.92 0.00 1.78 1.85 0.92 1.20 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 60 E 7.94 4.10 0.00 2.13 1.98 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 2.40 2.48 0.00 61 Q 7.69 4.11 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 62 T 8.12 4.16 4.18 0.00 0.00 0.00 0.00 0.00 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