NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3541 8.1744 110.9434 61.2153 70.6104 173.5054 6 N 4.7935 7.8771 120.5103 53.1251 39.3955 173.2140 7 S 4.4867 8.1702 112.1431 57.4620 65.0326 173.0219 8 D 4.8506 8.5036 121.7306 54.6254 42.4153 174.3774 9 F 5.3099 7.8674 115.5835 55.3854 41.4954 173.8280 10 V 4.5734 9.0014 112.1923 59.5149 35.4107 174.8725 11 V 4.8049 8.6221 123.2880 61.3099 34.0696 174.4989 12 I 4.9407 8.8853 128.1058 59.4594 40.9174 173.9804 13 K 5.0462 9.2179 129.1308 54.3229 34.4461 175.0088 14 A 4.4640 8.8985 130.3616 52.1623 19.1574 177.4724 15 L 4.6410 8.8910 122.3282 54.6913 42.5006 176.0728 16 E 4.6829 7.6663 115.4747 54.9037 32.2729 174.4631 17 D 4.4100 8.3686 119.4818 55.5887 41.3948 176.9929 18 G 3.8788 8.7977 109.5379 45.6916 0.0000 173.7753 19 V 3.8738 7.4185 120.3036 63.0132 32.8840 174.5307 20 N 5.3449 9.1216 124.7957 51.4751 41.3757 173.5668 21 V 4.5410 8.6758 124.6537 61.3957 33.5903 174.2397 22 I 4.5547 8.7038 130.1961 59.3475 39.6432 175.0606 23 G 4.1527 8.7022 115.2379 45.1974 0.0000 172.5443 24 L 5.5040 8.9903 125.9099 53.1194 44.1134 176.2918 25 T 4.4401 8.7409 113.9326 61.8143 69.2660 174.2074 26 R 4.3545 7.9187 126.2019 57.0314 31.1383 174.9758 27 G 3.8273 8.7678 109.1867 44.3027 0.0000 174.0592 28 A 3.9018 8.6735 121.3125 54.2291 18.8152 177.6020 29 D 4.8547 7.2181 112.3862 53.1917 42.6127 176.4667 30 T 4.5163 8.2372 121.5419 61.2559 69.0975 172.9036 31 R 4.7031 8.7518 122.5952 53.5195 32.8032 175.1618 32 F 5.1732 8.5899 116.9507 57.6503 39.4719 175.3755 33 H 4.9994 8.6172 120.1340 56.4070 30.4767 174.2079 34 H 4.7708 7.6376 117.4108 55.0577 33.2837 172.1000 35 S 4.8935 8.2737 120.8847 56.5923 65.2282 172.9544 36 E 4.3194 9.0121 126.9815 55.1759 30.8250 174.9271 37 K 4.7896 8.6069 126.8607 55.4100 33.3616 175.9398 38 L 4.9513 9.0001 125.5191 53.0509 44.6224 176.1109 39 D 4.6909 9.4584 123.2810 52.7991 42.9738 175.9820 40 K 3.9929 8.8198 122.3876 58.4771 32.3144 177.0662 41 G 4.0414 9.0589 116.0026 45.1384 0.0000 173.5423 42 E 4.2065 8.0356 119.5864 56.4336 30.6826 176.1327 43 V 4.8967 8.3050 122.0279 61.0041 34.4576 174.2864 44 L 4.7399 9.0982 129.1704 53.2749 45.0100 174.8353 45 I 4.9156 8.5170 126.6379 59.6194 39.1694 174.7591 46 A 4.6921 8.9410 129.3105 50.0717 21.7977 175.3832 47 Q 4.7387 8.6373 121.1550 55.0941 30.2751 175.9068 48 F 4.6105 8.2710 120.7265 58.0032 39.7662 175.0705 49 T 4.7234 8.7118 111.6754 59.9337 72.0122 173.0663 50 E 4.0142 8.9864 121.2374 59.5853 29.5799 177.4071 51 H 4.5258 8.1706 113.8613 56.5423 29.7954 174.2344 52 T 5.2033 8.0101 116.4771 61.9120 71.2580 174.3807 53 S 5.0209 8.9190 120.1617 58.0075 64.8813 173.4256 54 A 5.1061 7.8886 121.2672 51.1989 22.5494 175.2151 55 I 5.0031 8.5509 120.7154 59.3488 40.7134 174.7163 56 K 4.5973 9.1350 128.3184 54.4903 34.8442 174.6872 57 V 4.8258 8.3980 126.4346 61.2206 33.6165 174.5126 58 R 4.5624 9.0814 127.1447 55.5844 32.7900 176.5790 59 G 4.1479 8.9864 108.8683 44.3167 0.0000 172.6164 60 K 4.5083 9.2932 121.0078 56.2245 33.0173 175.6463 61 A 5.0781 8.7590 127.7376 50.9843 23.4554 173.6824 62 Y 5.0119 9.0785 121.5570 56.0950 41.0961 174.6271 63 I 4.9036 8.0960 126.6026 59.5010 41.1347 174.1827 64 Q 4.9265 8.8626 126.0659 54.3167 31.7796 174.9766 65 T 4.8033 8.5183 113.0564 59.6789 72.4283 174.5878 66 R 3.7574 8.5507 120.3959 59.3551 29.9514 176.5976 67 H 4.7412 8.4817 112.7069 55.1058 29.5319 174.4176 68 G 3.7523 6.7796 106.6406 44.1684 0.0000 173.2171 69 V 4.8100 7.8690 112.9364 59.9747 34.9828 175.0249 70 I 4.4748 8.2533 120.9524 60.2195 41.8974 172.7805 71 E 5.2556 8.7057 126.2510 54.5823 31.8772 176.0851 72 S 4.6820 8.7492 119.0000 57.8446 65.3094 172.8679 73 E 4.8636 8.6255 119.1546 54.5523 33.3402 176.1333 74 G 3.7233 8.6629 110.6244 45.7239 0.0000 173.1716 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 4.35 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 7.88 4.79 0.00 2.79 2.84 0.00 0.00 7.12 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 8.17 4.49 0.00 4.12 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 8.50 4.85 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.87 5.31 0.00 2.98 2.93 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 10 V 9.00 4.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.81 0.00 0.00 11 V 8.62 4.80 2.11 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 1.12 0.00 0.00 1.16 0.00 0.00 12 I 8.89 4.94 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.90 0.00 0.00 13 K 9.22 5.05 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.40 7.81 14 A 8.90 4.46 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.64 0.00 1.66 1.72 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 4.68 0.00 2.03 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 2.35 2.33 0.00 17 D 8.37 4.41 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 8.80 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.42 3.87 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 0.84 0.00 0.00 1.02 0.00 0.00 20 N 9.12 5.34 0.00 2.60 2.59 0.00 0.00 6.32 8.37 0.00 0.00 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 8.68 4.54 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.89 0.00 0.00 22 I 8.70 4.55 1.53 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.27 -0.41 0.00 0.00 23 G 8.70 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 24 L 8.99 5.50 0.00 1.83 1.71 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.74 4.44 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 26 R 7.92 4.35 0.00 1.91 1.96 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.77 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 8.67 3.90 1.29 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 0.00 0.00 29 D 7.22 4.85 0.00 2.70 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 30 T 8.24 4.52 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 1.28 0.00 0.00 31 R 8.75 4.70 0.00 1.94 2.02 0.00 2.79 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 32 F 8.59 5.17 0.00 3.01 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 5.00 0.00 3.18 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.64 4.77 0.00 3.26 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.27 4.89 0.00 3.63 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 36 E 9.01 4.32 0.00 2.11 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 2.27 2.32 0.00 37 K 8.61 4.79 0.00 1.66 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.38 1.42 7.81 38 L 9.00 4.95 0.00 1.51 1.53 0.91 0.97 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 39 D 9.46 4.69 0.00 2.65 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 8.82 3.99 0.00 1.68 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.06 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 8.04 4.21 0.00 2.06 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 8.31 4.90 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 9.10 4.74 0.00 1.71 1.44 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 4.92 1.76 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 1.27 0.75 0.68 0.00 0.00 46 A 8.94 4.69 1.11 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 0.00 0.00 0.00 47 Q 8.64 4.74 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.27 4.61 0.00 3.05 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 49 T 8.71 4.72 4.30 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 1.30 0.00 0.00 50 E 8.99 4.01 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 51 H 8.17 4.53 0.00 3.22 3.16 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 8.01 5.20 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 53 S 8.92 5.02 0.00 3.79 4.08 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 0.00 0.00 0.00 0.00 54 A 7.89 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 55 I 8.55 5.00 1.87 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.72 0.88 0.00 0.00 56 K 9.14 4.60 0.00 1.78 1.52 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.35 7.81 57 V 8.40 4.83 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 9.08 4.56 0.00 1.76 1.79 0.00 3.16 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 59 G 8.99 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 60 K 9.29 4.51 0.00 1.84 1.72 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.76 5.08 1.25 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 0.00 0.00 62 Y 9.08 5.01 0.00 3.05 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 63 I 8.10 4.90 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.48 0.82 0.00 0.00 64 Q 8.86 4.93 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 65 T 8.52 4.80 4.13 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 0.00 0.00 0.00 1.15 0.00 0.00 66 R 8.55 3.76 0.00 1.68 1.71 0.00 3.14 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 1.53 1.58 0.00 67 H 8.48 4.74 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 6.78 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 7.87 4.81 1.95 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 0.73 0.00 0.00 1.00 0.00 0.00 70 I 8.25 4.47 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.33 0.86 0.00 0.00 71 E 8.71 5.26 0.00 1.91 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 2.52 2.46 0.00 72 S 8.75 4.68 0.00 3.92 3.98 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 73 E 8.63 4.86 0.00 1.82 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 2.22 2.30 0.00 74 G 8.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00