NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9001 8.3544 109.7363 45.5551 0.0000 173.1898 2 S 4.1200 7.7599 114.0068 58.0638 63.7571 171.6391 3 S 4.2428 8.9764 123.9054 60.3525 64.5038 171.5977 4 G 3.6016 8.0168 119.1002 44.8585 0.0000 173.3098 5 S 4.2602 8.4884 121.0225 57.5420 61.6884 173.1868 6 S 4.6766 8.5880 124.1452 57.6448 64.4022 175.7148 7 G 3.6483 8.8837 114.6460 45.6167 0.0000 171.8910 8 R 4.5527 7.8515 113.4821 54.0612 32.5531 175.2631 9 R 4.5293 8.4208 121.4118 56.1546 31.2740 175.1915 10 M 4.9075 8.9510 124.7815 53.4480 35.0967 175.5503 11 V 4.4224 8.0092 121.5144 59.6702 33.7314 174.2670 12 A 4.9669 8.4416 128.4169 51.8022 18.5852 177.7646 13 L 3.8817 8.6777 122.4327 58.2388 42.4696 178.0761 14 Y 4.8064 7.8561 114.8845 55.9198 41.8756 173.8934 15 D 4.4880 9.0556 124.4827 55.5266 41.6112 175.2635 16 Y 4.6791 7.9792 125.8264 56.2394 41.8545 175.3145 17 D 4.0573 6.2233 122.9413 52.6714 43.9794 174.2193 18 P 4.1590 0.0000 0.0000 63.6907 31.3548 177.2573 19 R 4.2905 7.4272 117.2574 57.0168 30.9356 175.9678 20 E 4.4464 7.6936 114.0979 58.1179 31.8776 177.3576 21 S 4.2094 7.8167 113.2019 61.5890 63.3222 175.3961 22 S 4.3329 7.6811 115.1977 57.5113 62.6635 172.6111 23 P 4.4388 0.0000 0.0000 63.4077 31.3065 175.3640 24 N 4.0980 7.8204 113.5373 55.0450 34.2011 176.7642 25 V 4.0947 7.1673 112.1606 60.3806 32.1169 175.8496 26 D 4.6308 8.3909 123.5937 54.9265 38.5759 176.5386 27 V 3.9006 7.0881 116.0266 64.6091 31.6841 178.3742 28 E 3.8983 8.2631 117.7821 58.8380 29.8063 177.7772 29 A 4.3716 8.3361 121.3944 53.6305 19.9894 177.2201 30 E 4.3918 7.7467 113.9920 57.1017 30.2591 177.0939 31 L 4.6896 8.6330 121.9845 53.9533 43.7115 177.0742 32 T 4.5185 8.7084 120.0148 62.0121 69.1805 173.5383 33 F 5.0413 7.8480 121.9326 55.2772 41.6875 173.9561 34 C 5.3364 9.6531 115.8772 57.5174 31.6191 173.6336 35 T 4.2373 8.5078 117.1915 67.2389 67.8688 173.3633 36 G 4.1361 9.3852 116.5489 45.7074 0.0000 173.4478 37 D 4.4460 8.4218 120.1683 55.0725 41.8169 176.3706 38 I 4.5542 8.3714 124.7611 60.9026 38.4038 175.4281 39 I 4.4087 8.6254 127.4582 59.7201 40.8934 174.9258 40 T 4.5103 8.1505 123.5153 62.6084 68.8721 174.5881 41 V 4.2137 7.9633 120.6175 60.4719 33.5032 175.5723 42 F 4.9270 8.9710 122.0576 56.9326 41.8248 176.2996 43 G 3.9666 9.1986 110.3391 44.8479 0.0000 172.0027 44 E 4.6891 8.3011 117.0866 54.7378 31.0233 176.2320 45 I 3.6063 8.1818 119.7140 61.5562 37.2400 176.2487 46 D 4.7856 8.3749 124.0995 53.1929 41.9927 177.3302 47 E 3.8377 8.8897 119.3206 60.1444 29.4530 178.9357 48 D 4.4963 8.2219 116.9755 58.5231 40.9917 176.9988 49 G 3.0488 6.3779 107.2867 45.4231 0.0000 172.7161 50 F 4.7589 8.1940 118.3104 55.4252 43.7691 173.4960 51 Y 5.2748 9.1895 116.8287 56.6860 41.7803 175.0126 52 Y 5.1528 8.4707 122.8054 55.5341 40.6820 174.1211 53 G 4.5287 8.5304 113.9844 44.4706 0.0000 168.4872 54 E 5.4783 8.9409 119.2467 54.4259 33.2131 175.1789 55 L 4.6688 9.1241 126.5518 54.9517 45.4542 175.7282 56 N 4.2419 9.9312 120.4535 54.3201 36.2943 173.9671 57 G 3.8828 8.4654 101.9195 46.7405 0.0000 174.6085 58 Q 4.4848 8.6825 118.0565 53.7760 32.4878 174.6414 59 K 5.0996 8.7294 122.7920 55.4437 34.1379 176.1760 60 G 4.2585 8.2651 110.9585 47.0734 0.0000 171.8101 61 L 5.1176 8.3547 121.4442 53.1340 45.7448 176.2302 62 V 4.9037 8.9629 114.7021 58.9874 36.4238 173.0298 63 P 4.2344 0.0000 0.0000 62.3511 31.4913 177.2669 64 S 4.2575 8.5211 118.6037 60.9341 62.4781 174.8457 65 N 4.8233 8.1775 115.0387 54.3810 38.5018 174.8237 66 F 5.1863 8.9062 116.9861 56.9647 41.4165 174.1686 67 L 5.2628 8.1531 117.6452 53.4744 46.5375 175.7900 68 E 4.4614 8.5585 119.8494 54.6788 32.9915 173.3365 69 E 3.9255 9.0970 128.1933 56.4275 30.0661 176.7940 70 V 3.8214 8.0525 128.0152 62.9667 32.2551 175.8922 71 S 4.4131 8.6400 122.4483 56.9247 64.4300 173.3172 72 G 4.1966 8.3077 113.8045 42.6005 0.0000 170.8409 73 P 4.3987 0.0000 0.0000 61.7713 29.1032 173.8560 74 S 3.9809 8.2850 119.2296 59.3060 62.3779 174.0182 75 S 4.5275 8.7136 123.2546 57.3272 63.5469 174.2858 76 G 3.7505 8.4232 114.0096 46.6195 0.0000 170.9984 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 G 8.35 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 0.00 0.00 0.00 2 S 7.76 4.12 0.00 3.92 3.77 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 3 S 8.98 4.24 0.00 3.89 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 4 G 8.02 3.60 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 0.00 0.00 0.00 5 S 8.49 4.26 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.59 4.68 0.00 4.01 3.96 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 7 G 8.88 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.85 4.55 0.00 1.73 1.87 0.00 2.54 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.31 0.00 9 R 8.42 4.53 0.00 1.71 1.83 0.00 3.05 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 10 M 8.95 4.91 0.00 1.79 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.26 0.00 11 V 8.01 4.42 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 0.72 0.00 0.00 0.94 0.00 0.00 12 A 8.44 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.68 3.88 0.00 1.37 0.74 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.86 4.81 0.00 2.90 2.86 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 15 D 9.06 4.49 0.00 2.75 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 16 Y 7.98 4.68 0.00 2.26 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 17 D 6.22 4.06 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.13 2.31 0.00 3.48 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.99 0.00 19 R 7.43 4.29 0.00 1.70 1.94 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 20 E 7.69 4.45 0.00 1.78 1.86 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 2.14 2.20 0.00 21 S 7.82 4.21 0.00 3.70 3.98 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 22 S 7.68 4.33 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.44 0.00 2.22 2.16 0.00 3.93 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 1.99 2.02 0.00 24 N 7.82 4.10 0.00 2.90 2.98 0.00 0.00 6.70 7.67 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 25 V 7.17 4.09 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 0.93 0.00 0.00 0.86 0.00 0.00 26 D 8.39 4.63 0.00 2.88 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 27 V 7.09 3.90 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 1.02 0.00 0.00 0.90 0.00 0.00 28 E 8.26 3.90 0.00 1.93 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 0.00 2.31 2.28 0.00 29 A 8.34 4.37 1.26 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 0.00 0.00 0.00 30 E 7.75 4.39 0.00 2.05 2.02 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 2.23 2.19 0.00 31 L 8.63 4.69 0.00 1.85 1.81 1.07 0.82 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 32 T 8.71 4.52 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 1.16 0.00 0.00 33 F 7.85 5.04 0.00 3.15 3.22 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 34 C 9.65 5.34 0.00 3.22 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 35 T 8.51 4.24 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 1.21 0.00 0.00 36 G 9.39 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 0.00 0.00 0.00 0.00 37 D 8.42 4.45 0.00 3.04 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 38 I 8.37 4.55 1.84 0.00 0.00 0.82 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 0.72 0.89 0.00 0.00 39 I 8.63 4.41 1.54 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.46 0.80 0.00 0.00 40 T 8.15 4.51 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 0.71 0.00 0.00 41 V 7.96 4.21 1.66 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 0.55 0.00 0.00 0.47 0.00 0.00 42 F 8.97 4.93 0.00 2.89 2.87 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 43 G 9.20 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 0.00 0.00 0.00 44 E 8.30 4.69 0.00 2.21 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 2.34 2.33 0.00 45 I 8.18 3.61 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.20 0.72 0.00 0.00 46 D 8.37 4.79 0.00 2.82 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 47 E 8.89 3.84 0.00 1.98 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 2.35 2.32 0.00 48 D 8.22 4.50 0.00 2.82 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 49 G 6.38 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 0.00 0.00 0.00 50 F 8.19 4.76 0.00 2.91 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 51 Y 9.19 5.27 0.00 3.03 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 52 Y 8.47 5.15 0.00 3.17 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 53 G 8.53 4.53 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 0.00 0.00 0.00 54 E 8.94 5.48 0.00 2.36 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 2.41 2.34 0.00 55 L 9.12 4.67 0.00 1.69 1.49 0.98 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.93 4.24 0.00 2.87 2.90 0.00 0.00 7.05 7.70 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 57 G 8.47 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.48 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.06 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 59 K 8.73 5.10 0.00 1.88 2.07 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.51 7.81 60 G 8.27 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 0.00 0.00 0.00 0.00 61 L 8.35 5.12 0.00 1.41 1.46 0.66 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.96 4.90 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 0.75 0.00 0.00 0.99 0.00 0.00 63 P 0.00 4.23 0.00 2.12 1.74 0.00 3.66 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.44 0.00 64 S 8.52 4.26 0.00 3.62 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.18 4.82 0.00 2.95 2.78 0.00 0.00 6.65 7.41 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 66 F 8.91 5.19 0.00 3.32 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 5.26 0.00 1.43 1.44 0.87 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.56 4.46 0.00 2.07 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 2.17 2.27 0.00 69 E 9.10 3.93 0.00 1.97 1.88 0.00 0.00 0.00 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 2.28 0.00 70 V 8.05 3.82 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 0.73 0.00 0.00 0.94 0.00 0.00 71 S 8.64 4.41 0.00 3.93 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 72 G 8.31 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 0.00 0.00 0.00 0.00 73 P 0.00 4.40 0.00 2.18 2.10 0.00 3.77 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 1.98 1.94 0.00 74 S 8.28 3.98 0.00 3.84 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 75 S 8.71 4.53 0.00 3.96 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 76 G 8.42 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