NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4894 8.1233 122.4787 52.1396 20.4577 175.9080 2 Y 4.7939 8.7448 118.2345 55.2053 39.9979 169.8971 3 V 4.5864 9.4634 121.6121 60.0977 35.5821 174.2567 4 I 4.5685 8.5189 124.9954 60.9462 37.9202 175.7198 5 N 4.8034 8.8347 126.2621 51.6119 39.5007 175.2869 6 E 4.1265 8.6374 116.0671 58.6498 29.6113 178.1015 7 A 4.0864 8.0469 121.5212 54.0613 18.6480 177.5665 8 C 3.9576 7.5940 116.4300 60.2907 31.2665 173.3440 9 I 4.3072 8.4483 118.4926 59.9518 37.5953 175.6209 10 S 3.8782 8.0885 114.7650 60.0895 60.2237 173.4209 11 C 4.1146 7.3386 112.8559 59.3565 29.6757 174.9774 12 G 3.5437 7.6202 107.4569 45.0503 0.0000 174.8986 13 A 4.0547 7.5770 122.3260 54.8445 18.9057 179.3389 14 C 4.2352 7.7997 111.3774 60.8812 30.0304 175.3578 15 E 3.9580 7.6870 120.7128 59.0767 29.0272 177.3171 16 P 4.4017 0.0000 0.0000 65.0901 31.4807 177.6960 17 E 4.3304 7.9086 115.7184 56.3136 29.9409 176.2553 18 C 4.1741 7.3336 120.3673 58.4652 31.7884 172.5310 19 P 4.3641 0.0000 0.0000 64.9904 31.1071 177.3642 20 V 4.2732 7.5214 110.4689 60.3101 32.2271 174.5625 21 N 4.1057 7.8713 115.8668 54.7654 37.6063 174.6309 22 A 4.3724 7.9602 117.3917 52.7161 20.1305 177.7330 23 I 5.0439 7.6765 116.5265 59.6814 39.0497 175.2044 24 S 5.0716 8.7014 119.7141 55.2710 67.1516 172.9015 25 S 3.0149 8.4031 115.6244 57.8738 62.7446 173.3502 26 G 4.2266 7.4972 115.7201 43.6309 0.0000 171.0928 27 D 4.4477 8.4275 119.0928 55.1774 41.5827 175.0221 28 D 5.2319 10.5661 127.1266 54.1825 39.0691 174.3406 29 R 4.7419 7.1309 111.9521 54.8704 32.2829 173.3701 30 Y 4.2108 8.5983 115.9356 58.0306 38.9453 175.5945 31 V 4.5619 8.7868 120.6389 61.3234 35.3337 174.1124 32 I 4.8070 8.3040 127.1118 59.7647 39.0698 174.9364 33 D 4.5787 9.1287 127.3509 53.6843 41.0185 176.8301 34 A 4.1182 8.7527 130.0117 54.7163 18.6560 177.5158 35 D 4.7379 8.0729 113.8220 55.1342 41.0949 177.0718 36 T 4.4745 7.8595 115.1338 63.8360 71.0259 174.4681 37 C 4.1499 8.2187 121.4289 59.7640 31.0720 173.0599 38 I 4.4220 8.2576 119.6639 60.4990 36.7289 175.2517 39 D 4.4861 8.2698 118.0077 56.2644 38.2286 175.7343 40 C 4.1499 7.3579 112.6518 59.3074 29.6624 174.9249 41 G 3.5686 7.0476 104.9220 45.5815 0.0000 174.9982 42 A 3.9939 7.7324 122.3349 55.2860 18.0726 179.4500 43 C 4.0242 7.8719 112.1775 61.4940 29.8024 175.8999 44 A 4.1309 7.7519 122.2256 54.7654 17.7339 179.8582 45 G 3.6430 7.7599 103.3339 46.9777 0.0000 175.3541 46 V 4.3709 7.1109 111.8215 59.9549 32.4502 174.9655 47 C 4.3860 7.4302 121.2609 57.3672 31.7676 172.5051 48 P 4.2531 0.0000 0.0000 65.3859 30.9197 177.4220 49 V 4.0993 7.7066 108.7993 59.9624 32.1585 174.7225 50 D 4.3362 7.6932 117.8454 55.2510 40.1096 174.3980 51 A 4.4068 7.8712 120.9346 54.2465 20.0840 177.3291 52 P 4.9020 0.0000 0.0000 62.8555 31.9801 176.8387 53 V 4.3894 8.8734 117.7483 59.1094 35.8728 174.8023 54 Q 3.4869 7.9941 125.2997 55.5374 29.6049 175.7380 55 A 4.2582 8.2569 128.5905 52.2762 19.2164 175.7144 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 A 8.12 4.49 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 2 Y 8.74 4.79 0.00 2.86 2.95 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 3 V 9.46 4.59 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 0.93 0.00 0.00 0.95 0.00 0.00 4 I 8.52 4.57 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.63 0.98 0.00 0.00 5 N 8.83 4.80 0.00 2.94 2.99 0.00 0.00 6.56 8.02 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 6 E 8.64 4.13 0.00 1.99 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 0.00 2.33 2.32 0.00 7 A 8.05 4.09 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 8 C 7.59 3.96 0.00 2.96 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 9 I 8.45 4.31 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.94 0.00 0.00 10 S 8.09 3.88 0.00 4.12 4.21 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 0.00 0.00 0.00 0.00 11 C 7.34 4.11 0.00 3.06 3.01 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 0.00 0.00 0.00 0.00 12 G 7.62 3.54 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 0.00 0.00 0.00 13 A 7.58 4.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.80 4.24 0.00 3.11 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 15 E 7.69 3.96 0.00 2.31 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 0.00 2.37 2.60 0.00 16 P 0.00 4.40 0.00 2.05 2.10 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 17 E 7.91 4.33 0.00 2.05 1.96 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 2.43 2.42 0.00 18 C 7.33 4.17 0.00 3.03 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 19 P 0.00 4.36 0.00 2.20 2.15 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 20 V 7.52 4.27 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 0.72 0.00 0.00 0.98 0.00 0.00 21 N 7.87 4.11 0.00 2.79 2.86 0.00 0.00 7.01 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 22 A 7.96 4.37 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 23 I 7.68 5.04 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 1.11 0.00 0.00 24 S 8.70 5.07 0.00 3.79 3.89 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 0.00 0.00 0.00 25 S 8.40 3.01 0.00 3.46 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.50 4.23 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 0.00 27 D 8.43 4.45 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 10.57 5.23 0.00 2.84 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 29 R 7.13 4.74 0.00 2.04 2.05 0.00 3.17 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 30 Y 8.60 4.21 0.00 2.84 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 31 V 8.79 4.56 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 0.99 0.00 0.00 0.90 0.00 0.00 32 I 8.30 4.81 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.97 0.00 0.00 33 D 9.13 4.58 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.75 4.12 1.31 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 0.00 0.00 0.00 35 D 8.07 4.74 0.00 2.90 2.72 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 36 T 7.86 4.47 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 1.24 0.00 0.00 37 C 8.22 4.15 0.00 2.96 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 38 I 8.26 4.42 1.87 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 1.40 0.64 0.96 0.00 0.00 39 D 8.27 4.49 0.00 2.96 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 40 C 7.36 4.15 0.00 3.02 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 41 G 7.05 3.57 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 0.00 0.00 0.00 42 A 7.73 3.99 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 43 C 7.87 4.02 0.00 3.13 3.14 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 0.00 0.00 0.00 0.00 44 A 7.75 4.13 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.76 3.64 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 0.00 0.00 0.00 46 V 7.11 4.37 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.96 0.00 0.00 47 C 7.43 4.39 0.00 3.12 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 48 P 0.00 4.25 0.00 2.20 2.15 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 49 V 7.71 4.10 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 0.71 0.00 0.00 0.95 0.00 0.00 50 D 7.69 4.34 0.00 2.78 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.87 4.41 1.33 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 0.00 0.00 0.00 52 P 0.00 4.90 0.00 2.15 2.19 0.00 3.68 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 2.06 2.16 0.00 53 V 8.87 4.39 1.96 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 0.71 0.00 0.00 0.95 0.00 0.00 54 Q 7.99 3.49 0.00 1.13 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 55 A 8.26 4.26 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00