NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1441 8.2549 117.2621 54.8826 31.0224 175.2265 2 P 4.0869 0.0000 0.0000 62.0410 32.0632 176.0532 3 D 4.3910 8.4929 121.7923 57.2365 41.6731 178.7718 4 F 4.4265 7.9851 114.7080 59.8286 37.6706 177.7935 5 C 4.5779 7.3599 116.0712 58.9671 39.9893 174.7756 6 L 4.2625 7.6844 119.2611 54.2211 42.0494 176.6587 7 E 4.3153 7.5790 117.9241 54.7547 30.5396 175.0760 8 P 4.4406 0.0000 0.0000 61.6415 32.1483 174.4136 9 P 3.7057 0.0000 0.0000 62.7058 31.4287 175.2613 10 Y 4.6382 7.8650 121.2668 56.0832 40.3001 175.3646 11 T 4.1675 8.3079 125.4363 64.9820 68.8662 175.9599 12 G 3.4722 6.9799 106.1385 43.8995 0.0000 170.9451 13 P 4.4272 0.0000 0.0000 63.4998 31.9093 177.1838 14 C 4.5531 7.7161 117.2642 56.7905 41.1096 173.6691 15 K 4.5072 8.2287 119.7570 56.2177 32.3309 176.4722 16 A 4.2085 7.7818 122.1531 51.9391 20.0229 177.8887 17 R 4.2351 8.2775 117.5647 54.0875 31.3495 173.4190 18 I 4.3437 8.4202 122.9906 59.2174 39.6000 174.5845 19 I 4.3888 8.2854 128.8104 60.8871 37.7823 175.5469 20 R 4.7729 8.5783 125.2639 54.6165 34.7927 173.7692 21 Y 5.4676 9.2557 118.1114 56.8529 40.4923 175.2312 22 F 5.7140 9.7077 116.8424 55.4119 42.2719 172.8768 23 Y 4.4518 9.9076 122.5213 57.0038 40.0875 174.1198 24 N 4.6917 8.1570 126.5725 51.7109 38.1484 175.1114 25 A 3.7886 8.1909 129.2560 54.4047 18.9584 178.7025 26 K 4.0096 8.1777 116.3184 58.9669 32.4273 177.4786 27 A 4.2339 7.7875 119.9588 51.6127 19.3914 177.1962 28 G 4.0404 7.8776 103.4487 45.9957 0.0000 173.4082 29 L 4.8334 6.8767 116.7011 52.7555 46.6919 176.1503 30 C 4.9573 8.6557 118.4514 56.6992 38.6645 173.0977 31 Q 4.9456 8.8462 121.7914 54.2635 33.1953 174.4977 32 T 4.8898 8.4668 110.7784 61.4403 70.5625 173.5640 33 F 5.0235 9.0519 116.9406 55.9589 42.1622 173.0694 34 V 4.2939 8.3956 119.5930 61.7399 32.3120 174.1668 35 Y 4.6252 8.7454 130.5828 56.4525 40.1623 176.2293 36 G 3.8920 8.1044 113.0288 46.0400 0.0000 175.1474 37 G 3.8142 6.9396 108.1009 45.0164 0.0000 172.2018 38 C 4.9708 6.9475 111.9893 54.7127 44.7174 173.1004 39 R 3.8256 8.8315 115.9669 56.8791 27.0364 176.8727 40 A 4.1714 8.3721 118.8412 52.6871 18.9655 177.9141 41 K 4.4844 8.1663 119.6294 54.5103 34.6603 176.8962 42 R 3.6198 8.1464 117.8761 59.0077 30.2853 177.4271 43 N 4.8867 7.9573 118.0355 51.2848 36.7918 173.6160 44 N 5.1201 6.6937 116.7400 52.7602 42.0006 173.5444 45 F 5.0287 9.6054 124.9107 55.8533 43.2134 176.2392 46 K 4.3629 9.1414 119.8535 57.8849 32.8888 177.8184 47 S 4.8171 7.8528 112.7610 55.5295 67.3449 174.6173 48 A 3.2004 7.9987 124.7943 54.9386 17.9471 180.1687 49 E 3.7742 7.8247 116.7398 59.7120 29.6761 179.1011 50 D 4.2984 7.9445 118.9019 57.1966 40.7558 177.8890 51 C 2.4500 7.6635 118.9289 59.4422 44.2657 175.6831 52 M 3.8181 7.9812 120.4629 58.3262 31.3039 178.7401 53 R 3.7699 7.9259 118.1380 59.5842 30.2433 178.3461 54 T 4.1140 7.5504 114.5900 65.7988 68.8198 175.4938 55 C 4.4995 7.9468 115.4619 57.5215 42.2468 174.2905 56 G 3.8418 7.6923 109.3421 45.3874 0.0000 173.5610 57 G 3.7509 7.7976 111.0048 45.5571 0.0000 173.3676 58 A 4.2541 8.5861 127.1297 52.2528 19.3603 175.6983 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 R 8.25 4.14 0.00 1.66 1.84 0.00 2.95 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 2 P 0.00 4.09 0.00 1.02 1.82 0.00 3.23 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.04 0.00 3 D 8.49 4.39 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 7.99 4.43 0.00 3.46 3.35 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 0.00 5 C 7.36 4.58 0.00 2.90 3.07 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 6 L 7.68 4.26 0.00 1.77 1.76 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.58 4.32 0.00 2.13 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 2.43 2.50 0.00 8 P 0.00 4.44 0.00 2.13 2.07 0.00 3.78 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 1.98 1.95 0.00 9 P 0.00 3.71 0.00 0.49 0.49 0.00 3.35 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.44 0.00 10 Y 7.86 4.64 0.00 2.80 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 11 T 8.31 4.17 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 1.18 0.00 0.00 12 G 6.98 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 14 C 7.72 4.55 0.00 2.94 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 15 K 8.23 4.51 0.00 1.66 1.73 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.29 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.30 7.81 16 A 7.78 4.21 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 17 R 8.28 4.24 0.00 1.60 1.78 0.00 3.14 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 18 I 8.42 4.34 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.63 0.97 0.00 0.00 19 I 8.29 4.39 1.80 0.00 0.00 0.78 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 0.69 0.76 0.00 0.00 20 R 8.58 4.77 0.00 0.97 1.91 0.00 3.47 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 21 Y 9.26 5.47 0.00 3.37 3.06 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 0.00 0.00 0.00 22 F 9.71 5.71 0.00 3.37 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 23 Y 9.91 4.45 0.00 2.99 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 24 N 8.16 4.69 0.00 2.20 2.46 0.00 0.00 6.65 8.60 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 25 A 8.19 3.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.01 0.00 1.72 1.95 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.42 7.81 27 A 7.79 4.23 1.15 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 28 G 7.88 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 29 L 6.88 4.83 0.00 1.39 1.42 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.96 0.00 2.77 3.05 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 0.00 0.00 0.00 0.00 31 Q 8.85 4.95 0.00 1.56 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 32 T 8.47 4.89 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 0.59 0.00 0.00 33 F 9.05 5.02 0.00 3.05 3.08 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 34 V 8.40 4.29 2.07 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 0.78 0.00 0.00 0.91 0.00 0.00 35 Y 8.75 4.63 0.00 2.52 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 36 G 8.10 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 0.00 0.00 0.00 37 G 6.94 3.81 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 0.00 0.00 0.00 38 C 6.95 4.97 0.00 3.07 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 39 R 8.83 3.83 0.00 2.20 2.26 0.00 3.32 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.37 4.17 0.93 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 0.00 0.00 41 K 8.17 4.48 0.00 1.72 1.67 0.00 1.34 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.19 7.81 42 R 8.15 3.62 0.00 1.19 0.66 0.00 2.55 0.00 0.00 2.89 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.27 0.00 43 N 7.96 4.89 0.00 3.29 2.90 0.00 0.00 6.70 7.79 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 44 N 6.69 5.12 0.00 2.78 2.65 0.00 0.00 7.07 7.02 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 45 F 9.61 5.03 0.00 3.27 3.09 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 0.00 0.00 0.00 0.00 46 K 9.14 4.36 0.00 1.84 1.95 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.47 7.81 47 S 7.85 4.82 0.00 4.31 3.94 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 48 A 8.00 3.20 0.56 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 0.00 0.00 49 E 7.82 3.77 0.00 2.00 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 2.34 2.38 0.00 50 D 7.94 4.30 0.00 3.02 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.66 2.45 0.00 2.69 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 52 M 7.98 3.82 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 53 R 7.93 3.77 0.00 1.83 2.03 0.00 3.23 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 54 T 7.55 4.11 4.14 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 1.50 0.00 0.00 55 C 7.95 4.50 0.00 2.32 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 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 57 G 7.80 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 58 A 8.59 4.25 1.18 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 0.00 0.00 0.00