NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2296 8.3293 118.8241 55.0074 29.7908 175.0671 2 P 4.1652 0.0000 0.0000 63.3512 29.9952 174.9401 3 D 4.6595 8.5251 133.4287 53.5525 42.1596 179.3421 4 A 4.5968 7.2303 115.6980 51.9705 20.6170 176.8896 5 I 4.1249 7.6217 121.3473 61.3684 39.1010 177.1506 6 N 4.6432 7.8748 120.0489 51.3829 36.0737 174.2121 7 A 4.6648 7.3059 121.8512 49.9553 21.9931 175.1952 8 P 4.2980 0.0000 0.0000 62.4306 30.7211 177.0513 9 V 3.8643 8.0132 124.8327 60.0298 30.4892 175.3169 10 T 3.8069 8.2825 122.7619 64.6118 68.3239 173.9999 11 C 5.0063 8.1887 124.9382 55.6265 43.8999 172.3615 12 C 4.7247 8.2239 116.6391 56.5338 43.5554 172.2773 13 Y 4.7676 8.0103 112.7109 59.5042 42.0112 174.3703 14 N 4.8129 7.5060 114.0056 51.2679 42.0816 173.2479 15 F 5.6362 8.2410 116.1532 56.4260 42.4167 173.5224 16 T 3.8999 9.0802 120.9154 63.0961 66.7931 172.0538 17 N 5.1828 8.8701 126.3674 53.2726 39.2001 173.9977 18 R 4.2708 6.8991 115.6138 53.2887 31.9147 176.0183 19 K 2.4800 7.8274 121.9223 56.2615 30.8498 175.5560 20 I 3.5995 5.4200 123.9847 59.9898 37.9456 176.2388 21 S 3.9655 8.6832 119.4120 58.6438 62.1460 175.4482 22 V 3.6529 8.5791 127.2231 64.4193 31.3738 178.4398 23 Q 3.9746 8.0944 118.1284 59.2836 28.8939 177.6375 24 R 3.9471 7.9224 118.4617 58.6070 29.5926 176.2165 25 L 4.6696 7.4443 117.5333 54.2584 39.8577 177.0677 26 A 4.2653 8.7227 126.2617 54.4511 19.2914 176.6920 27 S 4.7267 7.6750 110.6243 58.9664 68.5955 174.7826 28 Y 5.3031 8.5531 120.9935 56.8687 41.2506 175.1870 29 R 4.1196 8.3523 125.3077 52.8566 30.7272 171.9370 30 R 3.9398 7.3215 119.0426 56.1432 30.6150 175.8004 31 I 4.0843 8.6123 127.8706 60.6259 38.7736 176.1696 32 T 4.6259 7.6304 116.8434 62.2700 70.2188 173.2398 33 S 4.2351 7.4312 116.1988 59.2147 63.1490 174.4458 34 S 4.2346 8.5792 119.8156 60.1198 62.2875 174.5220 35 K 4.3172 7.6783 119.2592 57.0823 32.3749 175.4773 36 C 4.5435 7.9716 117.8565 56.2762 40.4715 172.8945 37 P 4.1882 0.0000 0.0000 65.0124 31.2446 176.5343 38 K 4.6574 7.4659 114.7173 54.8506 36.1758 175.6053 39 E 4.4404 8.5166 121.6054 56.1174 31.2497 174.7344 40 A 4.0490 7.5999 121.1402 52.0016 23.9513 174.9706 41 V 4.3541 7.7019 117.6804 61.1865 34.0209 175.8890 42 I 4.6500 7.6071 129.5061 59.9847 35.7488 174.9149 43 F 5.2668 8.7217 122.8707 57.6563 38.4156 173.4592 44 K 4.1397 9.1671 121.7840 56.5309 32.3849 177.6611 45 T 5.1887 8.2272 117.5225 61.1433 68.7542 173.9311 46 I 4.0784 8.3694 112.4620 63.0896 38.4558 176.6167 47 V 3.9473 7.8264 118.3462 61.1979 31.3361 175.9055 48 A 3.7111 8.0824 120.4938 53.2046 15.2899 179.1874 49 K 4.3107 7.8054 122.2086 56.2418 31.5534 174.0515 50 E 4.2820 8.6493 123.1380 56.8158 30.4905 176.2655 51 I 4.5154 8.4338 126.7087 59.3999 39.5936 174.8684 52 C 5.6533 9.2487 125.4070 56.7672 35.4905 172.8077 53 A 5.4368 8.5942 124.5558 49.7006 22.7433 174.5172 54 D 3.8323 8.7772 121.0001 53.4630 41.2519 175.3931 55 P 4.0869 0.0000 0.0000 65.0564 31.4579 177.1285 56 K 4.2020 7.8787 117.0467 56.6238 31.5182 176.5318 57 Q 4.3956 7.6410 120.0135 55.0662 29.2148 176.1738 58 K 4.1804 8.5812 118.6058 57.1748 32.3881 177.6931 59 W 4.6621 7.9295 115.8360 58.5646 28.9856 177.8607 60 V 3.1605 6.5165 117.3521 64.2854 30.8122 177.4520 61 Q 3.9629 7.1603 117.3127 58.6017 28.4681 177.4424 62 D 4.5337 7.4120 116.7613 56.9252 41.2669 178.9785 63 S 4.0880 7.9102 115.5209 61.9473 62.9571 176.3106 64 M 3.7134 7.9449 120.7131 58.6659 31.6563 177.8839 65 D 4.3570 7.6569 117.6065 57.1100 40.9897 178.0738 66 H 4.1512 8.0451 117.9295 58.9000 29.8388 176.6422 67 L 4.3927 7.7920 119.2051 56.7349 42.1638 177.8527 68 D 4.7842 8.1033 116.9592 55.6750 41.4843 175.9362 69 K 4.7577 7.9382 118.6918 56.9930 32.9699 177.0273 70 Q 4.2948 8.3628 118.1757 58.5554 30.2488 175.9553 71 T 4.2629 7.8073 110.0548 61.5725 67.3283 173.9708 72 Q 4.2016 7.8667 119.5153 55.3673 28.2002 175.7834 73 T 4.3371 8.0893 121.3561 60.7472 68.4091 172.8965 74 P 4.1957 0.0000 0.0000 62.0121 31.6751 176.7436 75 K 3.8726 8.7666 125.1826 57.0619 32.5018 176.4178 76 T 4.1938 8.4624 115.2718 61.7779 68.9406 174.2755 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 Q 8.33 4.23 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 2 P 0.00 4.17 0.00 2.28 2.16 0.00 3.75 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 1.99 2.05 0.00 3 D 8.53 4.66 0.00 2.68 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 4 A 7.23 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 5 I 7.62 4.12 1.87 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 1.47 0.62 0.91 0.00 0.00 6 N 7.87 4.64 0.00 2.82 2.86 0.00 0.00 5.86 7.26 0.00 0.00 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 7.31 4.66 1.23 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 8 P 0.00 4.30 0.00 2.18 2.12 0.00 3.75 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 1.95 0.00 9 V 8.01 3.86 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 0.91 0.00 0.00 10 T 8.28 3.81 4.20 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 1.17 0.00 0.00 11 C 8.19 5.01 0.00 2.72 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 12 C 8.22 4.72 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 4.77 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.51 4.81 0.00 2.58 2.67 0.00 0.00 6.70 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.24 5.64 0.00 3.18 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 16 T 9.08 3.90 4.45 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 0.00 0.00 0.00 1.73 0.00 0.00 17 N 8.87 5.18 0.00 2.86 2.84 0.00 0.00 7.18 7.73 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 18 R 6.90 4.27 0.00 1.70 1.56 0.00 3.19 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 19 K 7.83 2.48 0.00 1.46 1.61 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.23 7.81 20 I 5.42 3.60 1.64 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.32 0.89 0.00 0.00 21 S 8.68 3.97 0.00 3.78 3.74 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 0.00 0.00 0.00 22 V 8.58 3.65 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 0.61 0.00 0.00 0.76 0.00 0.00 23 Q 8.09 3.97 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 24 R 7.92 3.95 0.00 1.99 2.04 0.00 3.28 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 25 L 7.44 4.67 0.00 1.85 1.65 -0.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.72 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.73 0.00 4.00 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 28 Y 8.55 5.30 0.00 2.97 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 8.35 4.12 0.00 1.69 1.67 0.00 3.17 0.00 0.00 3.03 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 30 R 7.32 3.94 0.00 1.84 1.84 0.00 3.33 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 31 I 8.61 4.08 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 1.25 0.49 0.93 0.00 0.00 32 T 7.63 4.63 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 1.26 0.00 0.00 33 S 7.43 4.24 0.00 3.86 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 34 S 8.58 4.23 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.68 4.32 0.00 1.78 1.80 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.54 7.81 36 C 7.97 4.54 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 38 K 7.47 4.66 0.00 1.95 1.91 0.00 2.11 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.56 7.81 39 E 8.52 4.44 0.00 1.78 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 2.28 2.29 0.00 40 A 7.60 4.05 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 41 V 7.70 4.35 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.79 0.00 0.00 0.59 0.00 0.00 42 I 7.61 4.65 1.96 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 1.28 0.69 0.94 0.00 0.00 43 F 8.72 5.27 0.00 3.38 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 44 K 9.17 4.14 0.00 1.82 1.87 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.44 7.81 45 T 8.23 5.19 4.29 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 1.35 0.00 0.00 46 I 8.37 4.08 1.89 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 1.49 0.91 1.00 0.00 0.00 47 V 7.83 3.95 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 0.85 0.00 0.00 0.95 0.00 0.00 48 A 8.08 3.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 4.31 0.00 1.93 1.78 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.45 7.81 50 E 8.65 4.28 0.00 1.92 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 2.35 2.40 0.00 51 I 8.43 4.52 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 1.08 0.00 0.00 52 C 9.25 5.65 0.00 3.07 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.59 5.44 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.83 0.00 2.56 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 2.04 1.97 0.00 3.17 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 56 K 7.88 4.20 0.00 1.96 1.81 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 57 Q 7.64 4.40 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.73 0.00 58 K 8.58 4.18 0.00 1.92 1.86 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.53 7.81 59 W 7.93 4.66 0.00 3.66 3.32 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 60 V 6.52 3.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 -0.86 0.00 0.00 61 Q 7.16 3.96 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 62 D 7.41 4.53 0.00 2.72 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 63 S 7.91 4.09 0.00 3.55 3.61 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 64 M 7.94 3.71 0.00 1.86 1.72 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.99 0.00 65 D 7.66 4.36 0.00 3.09 2.67 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 0.00 0.00 0.00 0.00 66 H 8.05 4.15 0.00 3.13 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.79 4.39 0.00 1.97 1.98 1.33 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.10 4.78 0.00 2.95 2.74 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 0.00 0.00 0.00 69 K 7.94 4.76 0.00 1.86 1.80 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.32 7.81 70 Q 8.36 4.29 0.00 2.13 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.30 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 71 T 7.81 4.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 72 Q 7.87 4.20 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 73 T 8.09 4.34 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 74 P 0.00 4.20 0.00 2.04 2.01 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 75 K 8.77 3.87 0.00 1.71 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 76 T 8.46 4.19 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 1.25 0.00 0.00