NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6113 8.1627 120.6132 55.4006 34.1339 173.4487 2 K 4.6582 8.6504 127.8711 54.0468 34.3246 169.6264 3 V 4.6950 9.5999 128.8202 60.9916 34.7658 173.5289 4 L 4.8274 8.6581 127.6488 53.0011 44.5018 175.0325 5 Y 5.1625 8.0771 120.2722 56.2469 41.0622 175.2874 6 F 4.7127 8.2302 119.4089 56.5550 44.3369 175.3636 7 A 3.6668 8.5150 125.0107 53.3957 16.9351 180.2172 8 E 3.9941 8.8822 115.1570 61.2688 29.4915 178.6971 9 I 3.6207 7.7484 119.4936 64.0988 37.2714 177.8165 10 K 3.8651 7.7514 120.5476 59.8176 31.7105 178.4362 11 D 4.2949 7.7442 117.5303 57.3591 40.8169 178.6219 12 I 3.8023 7.7452 119.3815 64.4258 37.3920 178.3064 13 L 3.7789 8.2180 118.9346 54.9102 41.2416 177.3553 14 Q 3.6746 7.6178 116.9695 55.7058 26.8924 173.4954 15 K 4.4754 7.1919 110.4087 55.9170 35.6882 175.0651 16 A 4.6016 8.5032 121.9676 53.0739 20.7864 176.3486 17 Q 5.0556 7.8993 111.3589 55.5777 31.8499 173.4491 18 E 4.8128 9.0972 116.4923 55.6606 33.4250 173.4070 19 D 5.3556 8.6490 120.5311 52.8822 42.8103 175.9448 20 I 4.4706 8.4129 124.3953 59.1771 39.3376 175.8909 21 V 3.7443 8.5368 127.8234 62.6054 32.0560 175.0603 22 L 4.8155 8.3022 126.2726 53.0302 44.4433 176.0157 23 E 4.2704 8.7352 122.5437 57.6027 30.3471 175.1530 24 Q 4.6594 7.6176 116.9796 53.9417 32.4907 173.8810 25 A 4.3862 8.6100 123.8829 52.6473 19.1037 176.7370 26 L 5.0065 8.8482 121.5451 53.2142 45.9370 176.3972 27 T 4.6699 9.1639 115.6100 61.2299 70.0059 175.7044 28 V 3.6936 8.9499 123.5455 66.4334 31.3971 178.1691 29 Q 4.0487 8.3726 119.1888 59.6018 28.8843 178.6036 30 Q 4.0178 8.4475 119.1695 58.7932 28.6217 178.5305 31 F 4.1811 8.5015 121.8695 61.4114 39.4343 177.0565 32 E 3.4197 8.4352 118.1821 59.2460 29.2044 178.9192 33 D 4.4060 8.2321 119.0886 57.3782 40.8627 178.8162 34 L 3.8412 7.8080 120.5357 57.9221 42.0554 178.5656 35 L 3.7514 7.5716 120.4966 58.3880 41.7201 179.1165 36 F 4.6576 7.8732 116.3776 60.3944 38.8666 177.3138 37 E 4.1401 8.1809 117.8240 59.6175 29.3640 179.3419 38 R 3.9253 7.8451 116.8459 57.9274 31.6347 176.8240 39 Y 5.1626 8.1451 115.0089 54.0796 38.2877 174.2800 40 P 4.4686 0.0000 0.0000 65.3747 31.7817 179.3546 41 Q 4.0776 8.2962 116.7525 57.9032 28.7657 177.1311 42 I 4.4768 7.9997 112.1288 60.5485 37.9081 176.8255 43 N 3.3075 8.2036 119.0298 54.7512 37.1931 175.3801 44 N 4.7199 7.8787 115.0556 52.8479 39.0760 174.4983 45 K 4.4366 7.9952 118.6854 55.3436 33.2441 176.2845 46 K 4.3742 8.4297 123.7878 55.5634 33.2948 175.5358 47 F 5.0914 7.7123 118.0101 56.4913 40.3354 173.2197 48 Q 4.6677 9.1838 120.0403 55.0183 31.3595 174.5659 49 V 5.1335 8.5182 119.3696 61.2669 34.6720 173.8557 50 A 5.2128 8.9791 128.8342 50.0940 22.2365 175.1803 51 V 4.5472 8.4991 121.0968 61.5081 34.4909 175.5842 52 N 3.9804 9.8339 126.7794 54.5844 36.6299 174.2923 53 E 3.7161 8.2616 110.4420 57.1108 27.1777 174.4363 54 E 4.5190 7.6538 117.5508 53.9659 32.8809 175.4162 55 F 4.8476 8.4170 121.7155 58.1924 39.6164 174.7305 56 V 4.7975 8.8285 115.4655 59.6885 35.7864 174.3847 57 Q 4.6928 9.1109 119.9998 54.2192 31.2844 177.0966 58 K 4.1112 8.6616 117.9654 59.3479 32.1693 179.0381 59 S 4.5064 7.9204 112.3601 59.2594 63.3426 173.6913 60 D 4.4526 8.0284 121.5764 53.9120 42.2913 174.9491 61 F 5.6956 8.2945 117.8319 56.1479 41.6394 175.3733 62 I 4.5106 9.2584 124.0116 59.7025 39.4655 175.4621 63 Q 4.5405 9.6211 126.4936 54.3253 29.7460 175.1333 64 P 4.2351 0.0000 0.0000 65.6039 31.4275 177.0044 65 N 4.8483 7.8860 111.9270 52.9450 39.0796 174.5221 66 D 4.7095 8.2351 119.7774 54.7511 42.5397 175.2580 67 T 4.9094 8.7700 117.8421 62.2750 70.4850 173.9875 68 V 4.7608 9.0750 126.4960 60.8488 34.4638 174.0031 69 A 5.2406 9.0768 129.1258 50.1122 22.2821 174.6481 70 L 4.8115 8.6573 122.3060 53.9268 42.9556 176.7998 71 I 4.4912 9.0331 126.1074 58.8349 38.6173 173.7136 72 P 5.1812 0.0000 0.0000 61.0658 32.6885 174.5647 73 P 4.2874 0.0000 0.0000 63.1989 31.5386 177.3080 74 V 4.1093 8.2280 116.5896 61.4942 32.3286 176.3743 75 S 4.6051 8.1893 115.9671 57.6674 62.9374 174.6041 76 G 3.7798 8.1067 110.0090 46.3289 0.0000 174.7718 77 G 3.9971 8.5894 107.0525 45.5967 0.0000 173.5279 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 M 8.16 4.61 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 K 8.65 4.66 0.00 1.84 1.60 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.41 7.81 3 V 9.60 4.70 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 0.84 0.00 0.00 1.06 0.00 0.00 4 L 8.66 4.83 0.00 1.64 1.32 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.08 5.16 0.00 2.74 2.61 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 6 F 8.23 4.71 0.00 3.18 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 7 A 8.51 3.67 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 8 E 8.88 3.99 0.00 2.08 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 2.39 2.41 0.00 9 I 7.75 3.62 2.04 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 1.54 0.42 0.75 0.00 0.00 10 K 7.75 3.87 0.00 1.82 2.08 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.60 7.81 11 D 7.74 4.29 0.00 2.86 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 12 I 7.75 3.80 1.89 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 1.49 0.55 0.84 0.00 0.00 13 L 8.22 3.78 0.00 1.03 0.98 -0.61 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.62 3.67 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 15 K 7.19 4.48 0.00 1.90 1.68 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.08 1.45 7.81 16 A 8.50 4.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 5.06 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.68 0.00 0.00 0.00 0.00 0.00 2.20 2.35 0.00 18 E 9.10 4.81 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 19 D 8.65 5.36 0.00 2.57 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 20 I 8.41 4.47 1.95 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.71 0.96 0.00 0.00 21 V 8.54 3.74 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 0.80 0.00 0.00 0.94 0.00 0.00 22 L 8.30 4.82 0.00 1.63 1.64 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.74 4.27 0.00 1.92 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 0.00 2.23 2.28 0.00 24 Q 7.62 4.66 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 25 A 8.61 4.39 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.85 5.01 0.00 1.74 1.50 1.01 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 T 9.16 4.67 4.42 0.00 0.00 0.00 0.00 0.00 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 28 V 8.95 3.69 2.34 0.00 0.00 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 1.04 0.00 0.00 29 Q 8.37 4.05 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 30 Q 8.45 4.02 0.00 2.48 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 31 F 8.50 4.18 0.00 3.20 3.38 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 32 E 8.44 3.42 0.00 2.17 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.79 0.00 33 D 8.23 4.41 0.00 2.84 2.75 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 34 L 7.81 3.84 0.00 1.81 1.69 0.87 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.57 3.75 0.00 1.15 1.28 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.87 4.66 0.00 3.04 2.99 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 0.00 0.00 0.00 37 E 8.18 4.14 0.00 2.14 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 2.50 2.49 0.00 38 R 7.85 3.93 0.00 1.11 0.88 0.00 2.74 0.00 0.00 2.84 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 39 Y 8.15 5.16 0.00 3.11 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 40 P 0.00 4.47 0.00 2.23 2.34 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 41 Q 8.30 4.08 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 42 I 8.00 4.48 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.20 0.86 0.00 0.00 43 N 8.20 3.31 0.00 2.17 2.81 0.00 0.00 6.77 7.66 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 44 N 7.88 4.72 0.00 2.67 2.82 0.00 0.00 6.95 7.61 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 45 K 8.00 4.44 0.00 2.11 1.94 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.60 7.81 46 K 8.43 4.37 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 47 F 7.71 5.09 0.00 3.22 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 48 Q 9.18 4.67 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 49 V 8.52 5.13 2.25 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 1.10 0.00 0.00 1.41 0.00 0.00 50 A 8.98 5.21 1.04 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 51 V 8.50 4.55 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 0.92 0.00 0.00 0.84 0.00 0.00 52 N 9.83 3.98 0.00 2.76 2.79 0.00 0.00 7.14 7.42 0.00 0.00 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 E 8.26 3.72 0.00 2.04 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 2.11 2.24 0.00 54 E 7.65 4.52 0.00 1.91 1.74 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 2.14 2.34 0.00 55 F 8.42 4.85 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 56 V 8.83 4.80 2.22 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 0.74 0.00 0.00 1.01 0.00 0.00 57 Q 9.11 4.69 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 58 K 8.66 4.11 0.00 1.88 1.96 0.00 1.68 0.00 0.00 2.05 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.51 7.81 59 S 7.92 4.51 0.00 3.83 3.90 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 60 D 8.03 4.45 0.00 2.76 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 61 F 8.29 5.70 0.00 2.88 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 62 I 9.26 4.51 1.96 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.78 0.82 0.00 0.00 63 Q 9.62 4.54 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.66 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 64 P 0.00 4.24 0.00 2.03 2.35 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 65 N 7.89 4.85 0.00 2.68 2.80 0.00 0.00 6.93 8.06 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 66 D 8.24 4.71 0.00 2.62 2.52 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 67 T 8.77 4.91 4.19 0.00 0.00 0.00 0.00 0.00 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 68 V 9.08 4.76 1.67 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 0.40 0.00 0.00 0.59 0.00 0.00 69 A 9.08 5.24 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 70 L 8.66 4.81 0.00 1.59 1.32 0.49 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 71 I 9.03 4.49 2.17 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 1.40 1.31 1.11 0.00 0.00 72 P 0.00 5.18 0.00 2.05 2.15 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 73 P 0.00 4.29 0.00 2.07 2.03 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 74 V 8.23 4.11 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 0.85 0.00 0.00 0.95 0.00 0.00 75 S 8.19 4.61 0.00 3.93 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 76 G 8.11 3.78 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 0.00 0.00 0.00 77 G 8.59 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00