NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.7163 8.1449 118.8682 57.2715 38.8499 173.7459 4 S 4.4021 8.6269 113.3128 59.5885 63.7610 173.2195 5 K 3.9205 7.7790 119.6979 55.5496 33.1711 174.0023 6 P 4.2900 0.0000 0.0000 61.7187 32.0893 174.0819 7 C 5.0565 8.1094 116.1850 54.5282 40.7969 173.5494 8 C 5.0301 9.0654 117.9582 56.1182 46.6132 173.9811 9 D 4.2942 9.2163 127.5770 56.2149 41.0580 176.6727 10 L 4.5924 7.9909 120.9923 53.1465 42.7345 175.5571 11 C 5.7318 8.8522 123.4662 53.9614 47.8980 172.7991 12 M 5.0835 8.3770 119.9620 53.9309 34.4311 174.4770 13 C 5.6150 8.6401 117.2922 55.3796 44.6140 173.6283 14 T 4.3971 8.0681 111.9761 60.6720 69.8147 174.8442 15 R 4.2872 8.4452 122.0194 56.8640 30.2396 176.7214 16 S 4.6720 7.8400 111.7963 56.8737 65.2584 172.6123 17 M 4.6357 8.1574 119.8892 52.7150 33.8881 173.4541 18 P 4.4870 0.0000 0.0000 61.7800 32.6422 174.1735 19 P 4.6539 0.0000 0.0000 62.9722 33.1980 175.1192 20 Q 4.7741 8.6797 118.9460 54.6269 31.5773 174.0226 21 C 5.9432 9.3613 121.8240 54.4849 39.4045 173.7662 22 S 4.6966 8.1476 114.1804 56.6018 66.3878 173.4984 23 C 5.5406 9.0140 121.3971 55.2960 41.5977 174.4691 24 E 4.5243 8.4322 116.2188 54.6751 31.8155 172.3386 25 D 5.0583 8.5569 118.0963 54.0278 42.1363 176.7390 26 R 4.8689 9.0562 124.0721 54.4350 35.4743 173.8117 27 I 4.5183 8.2576 115.0091 60.9767 39.0003 175.8112 28 N 4.8186 10.6616 127.5541 53.6264 38.1881 174.7974 29 S 4.6054 7.6750 110.1478 57.3491 67.0948 172.8509 30 C 4.7278 8.3075 120.5954 55.1776 43.4282 173.2519 31 H 4.5575 8.1193 115.8099 55.3143 28.6950 176.4176 32 S 4.1078 8.0995 115.4039 61.6761 62.6222 175.4127 33 D 4.4943 8.0275 118.1703 55.5494 41.4370 176.7339 34 C 4.5127 8.0077 119.6005 57.1601 43.9219 173.1940 35 K 4.0624 10.7800 125.5774 57.2539 33.0109 176.5040 36 S 4.4714 8.2990 113.1946 56.8251 65.2497 171.8289 37 C 5.3020 8.8821 127.5918 54.8693 46.6864 172.3401 38 M 4.8798 9.1019 126.0994 53.9968 34.4556 173.6906 39 C 5.7936 8.9860 121.9385 54.0689 44.5550 173.3462 40 T 4.3347 8.3190 110.6509 61.1914 69.7868 176.0138 41 R 4.2357 8.5649 124.3764 54.8136 28.5010 175.4206 42 S 4.4950 7.4705 114.8967 57.6080 65.5061 175.4806 43 Q 4.4853 8.4437 119.4257 53.3640 30.6399 173.7943 44 P 4.5680 0.0000 0.0000 61.7877 32.7501 176.1834 45 G 3.8083 8.5930 107.9663 46.4103 0.0000 172.2027 46 Q 5.1204 8.7414 122.5023 54.3752 30.6883 174.2256 47 C 5.2501 9.6226 122.4923 55.4251 42.8885 173.3475 48 R 5.2210 8.5994 118.6521 53.8506 34.5773 173.2847 49 C 4.8918 8.7622 122.1607 55.8640 44.3933 173.1872 50 L 4.3337 8.2847 124.4360 54.8276 42.2915 176.9259 51 D 4.5055 8.2016 118.6663 54.8566 41.3892 175.6826 52 T 4.7736 8.1293 114.7341 60.4928 70.4519 172.7698 53 N 4.9529 8.5217 124.9096 51.9421 42.1047 174.8174 54 D 5.5689 8.6869 118.6507 52.4751 39.7582 175.1773 55 F 4.9161 7.1015 112.5997 56.1863 40.7685 173.8550 56 C 4.7389 8.4721 118.5317 55.4397 41.9069 173.6070 57 Y 4.6714 8.2414 120.8479 57.6835 38.9250 175.0910 58 K 4.5254 8.6701 119.2163 55.0298 33.9841 175.1548 59 P 4.9499 0.0000 0.0000 62.4991 32.1692 176.8689 60 C 4.5415 9.5100 121.3810 56.7817 40.7167 173.9236 61 K 4.2489 8.8437 126.7004 57.5575 31.6741 175.9923 62 S 4.5016 7.9593 130.2210 58.7187 66.8221 174.9972 63 R 4.3190 7.9745 123.2995 55.9789 29.5287 178.2491 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 3 Y 8.14 4.72 0.00 3.00 3.11 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 4 S 8.63 4.40 0.00 4.00 3.97 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 5 K 7.78 3.92 0.00 0.79 1.33 0.00 1.06 0.00 0.00 1.38 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.16 0.93 7.81 6 P 0.00 4.29 0.00 0.87 1.28 0.00 3.32 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 7 C 8.11 5.06 0.00 3.36 3.20 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 8 C 9.07 5.03 0.00 3.09 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 9 D 9.22 4.29 0.00 2.94 2.71 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 0.00 0.00 0.00 10 L 7.99 4.59 0.00 1.68 1.59 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.85 5.73 0.00 2.97 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 12 M 8.38 5.08 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 13 C 8.64 5.62 0.00 2.81 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 14 T 8.07 4.40 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 1.25 0.00 0.00 15 R 8.45 4.29 0.00 1.82 1.99 0.00 3.35 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 S 7.84 4.67 0.00 3.96 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.16 4.64 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 18 P 0.00 4.49 0.00 2.23 2.05 0.00 3.82 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 1.99 1.96 0.00 19 P 0.00 4.65 0.00 2.13 2.21 0.00 3.64 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 2.12 2.01 0.00 20 Q 8.68 4.77 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 21 C 9.36 5.94 0.00 2.68 2.92 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 0.00 0.00 0.00 22 S 8.15 4.70 0.00 3.82 4.09 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 23 C 9.01 5.54 0.00 2.96 2.42 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 0.00 24 E 8.43 4.52 0.00 2.12 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 2.26 2.27 0.00 25 D 8.56 5.06 0.00 2.70 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 26 R 9.06 4.87 0.00 1.71 1.76 0.00 3.30 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 27 I 8.26 4.52 1.86 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 1.33 0.66 0.90 0.00 0.00 28 N 10.66 4.82 0.00 2.83 3.07 0.00 0.00 6.84 7.45 0.00 0.00 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 S 7.67 4.61 0.00 3.83 3.70 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 30 C 8.31 4.73 0.00 2.90 2.92 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 0.00 0.00 0.00 31 H 8.12 4.56 0.00 3.31 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.10 4.11 0.00 4.04 4.17 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 33 D 8.03 4.49 0.00 2.59 2.79 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 0.00 0.00 0.00 34 C 8.01 4.51 0.00 2.72 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 35 K 10.78 4.06 0.00 2.11 1.85 0.00 1.60 0.00 0.00 1.77 0.00 0.00 3.29 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.42 7.81 36 S 8.30 4.47 0.00 3.87 3.66 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 0.00 0.00 0.00 0.00 37 C 8.88 5.30 0.00 2.96 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 38 M 9.10 4.88 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 39 C 8.99 5.79 0.00 2.84 2.92 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 0.00 0.00 0.00 40 T 8.32 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 R 8.56 4.24 0.00 1.82 1.94 0.00 3.40 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 42 S 7.47 4.49 0.00 3.91 3.79 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 0.00 0.00 0.00 43 Q 8.44 4.49 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 44 P 0.00 4.57 0.00 2.17 2.03 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 45 G 8.59 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 46 Q 8.74 5.12 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 47 C 9.62 5.25 0.00 2.89 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 48 R 8.60 5.22 0.00 1.70 1.74 0.00 3.11 0.00 0.00 3.19 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 0.00 49 C 8.76 4.89 0.00 2.89 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 50 L 8.28 4.33 0.00 1.55 1.68 0.91 1.35 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 51 D 8.20 4.51 0.00 2.69 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 52 T 8.13 4.77 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 1.21 0.00 0.00 53 N 8.52 4.95 0.00 2.10 1.79 0.00 0.00 6.28 8.15 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 54 D 8.69 5.57 0.00 2.79 2.92 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 0.00 0.00 0.00 55 F 7.10 4.92 0.00 3.03 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 56 C 8.47 4.74 0.00 3.01 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 57 Y 8.24 4.67 0.00 2.91 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 58 K 8.67 4.53 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.47 7.81 59 P 0.00 4.95 0.00 1.96 2.03 0.00 3.78 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 60 C 9.51 4.54 0.00 2.76 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 61 K 8.84 4.25 0.00 1.93 1.92 0.00 1.83 0.00 0.00 1.95 0.00 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.54 7.81 62 S 7.96 4.50 0.00 3.60 3.70 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 63 R 7.97 4.32 0.00 1.81 1.70 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00