NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3735 8.1593 110.9393 62.6006 69.9756 173.9789 11 K 4.5037 8.1768 110.2932 56.2385 33.4200 172.6204 12 N 4.9948 8.1236 118.3513 54.6223 45.6585 177.6211 13 G 4.0266 7.9199 107.7030 45.3835 0.0000 172.5312 14 R 4.6690 7.3016 118.9345 54.6297 34.7738 174.6550 15 D 4.5238 8.0058 117.8606 53.7884 43.8203 176.2433 16 S 4.2816 8.7994 122.3250 57.5711 63.7601 174.0308 17 Q 4.0578 8.6692 122.6009 55.6760 28.6715 176.2335 18 A 4.0828 8.3449 121.4231 52.5602 18.7051 177.9522 19 K 4.1291 8.6795 121.7711 56.4149 33.3434 176.7838 20 R 3.7815 7.7870 116.7817 56.9221 26.7811 174.7685 21 L 4.6387 7.3966 118.2385 53.1865 45.2285 174.8787 22 G 3.6963 8.3389 105.2654 44.8261 0.0000 172.3438 23 V 3.4001 7.9558 120.7727 62.5883 31.5662 176.8676 24 K 4.1904 8.4130 127.1895 57.6916 32.8247 177.4072 25 R 4.8554 7.8710 116.0355 54.3908 32.9004 174.5468 26 Y 5.0427 9.5801 118.8842 55.6188 41.0156 175.5408 27 E 4.8294 8.7436 122.4133 57.6751 30.0640 177.0599 28 G 4.0680 9.3710 114.5803 45.7383 0.0000 172.5129 29 Q 4.7952 7.9566 116.8774 53.4643 32.4513 175.2281 30 V 4.3511 8.3952 122.5042 63.0499 32.2811 175.6696 31 V 4.5334 8.5587 119.2505 59.2283 35.5055 176.1941 32 R 4.7092 8.9050 125.1913 55.7707 29.3752 177.6769 33 A 4.9464 8.0826 130.3510 54.2263 20.1471 175.4653 34 G 4.0637 8.5650 109.1144 45.8175 0.0000 172.7205 35 N 4.3838 8.3131 118.7712 53.0988 39.5741 174.0564 36 I 3.8486 8.5569 125.2610 61.9445 36.5023 176.0933 37 L 4.0892 9.0273 127.4948 57.1349 42.2366 177.3750 38 V 4.5171 7.3671 116.8243 61.5555 35.2420 172.7838 39 R 4.8019 8.3860 126.4231 55.2388 31.3068 175.6105 40 Q 4.5595 8.5645 121.1670 54.4852 31.5634 174.6656 41 R 4.0370 8.9934 118.8695 57.1862 30.9439 178.7832 42 G 3.1899 7.5425 111.2444 46.6536 0.0000 174.4128 43 T 4.5574 7.5590 117.3769 61.2493 70.2800 175.4996 44 R 3.9356 8.2223 121.7960 58.4972 30.5271 177.1693 45 F 4.7579 9.2246 116.6871 55.5721 42.1618 174.8962 46 K 4.3222 8.4181 123.7866 54.1162 33.4461 176.6661 47 P 4.6719 0.0000 0.0000 62.3225 33.0478 174.0497 48 G 3.9996 8.1303 105.4972 44.5142 0.0000 173.2504 49 K 3.7817 8.4591 125.9942 57.6789 31.7992 176.3137 50 N 4.2365 8.8900 122.8780 53.9686 35.5368 174.1965 51 V 4.7168 7.2666 116.6198 60.3735 35.1775 174.1746 52 G 4.0701 7.8270 113.3997 44.4551 0.0000 170.2897 53 M 6.0005 7.8620 116.1319 52.4033 34.5227 175.1858 54 G 4.3057 8.3857 107.8934 45.0694 0.0000 173.9003 55 R 3.8028 8.6956 118.1918 59.5179 30.2791 178.0536 56 D 4.7940 7.9059 114.1220 53.2991 39.3318 176.0224 57 F 3.8723 7.4142 115.4568 59.2829 37.0494 175.3117 58 T 4.1661 7.8504 118.2793 63.8245 69.4488 173.3967 59 L 5.0956 8.9421 126.9138 53.3371 43.6966 175.7199 60 F 5.5813 7.9431 117.0622 55.3352 42.2854 173.1084 61 A 4.5983 8.8154 121.2739 51.6648 19.5610 178.0355 62 L 4.6969 8.8010 120.2094 55.0443 42.9087 176.9995 63 V 4.4825 7.4309 112.7167 60.0667 34.6454 173.2064 64 D 5.4391 7.8714 120.1965 52.7419 44.7152 173.5672 65 G 4.2921 7.3566 114.9097 46.4118 0.0000 172.8761 66 V 5.5911 7.6750 123.6559 60.0434 34.9355 174.4887 67 V 4.4729 8.2533 125.6728 62.4652 33.0982 174.4895 68 E 5.0814 9.0542 124.3814 54.8540 33.1351 174.2943 69 F 5.1354 9.1715 120.3073 56.5364 41.7964 176.1332 70 Q 4.4637 8.8711 122.1518 55.4856 31.1283 172.1912 71 D 4.6640 8.6609 126.1902 53.3032 42.2833 176.4934 72 R 4.6438 8.6095 124.9919 59.2237 32.3605 178.4771 73 G 3.6065 8.2696 106.7882 45.9350 0.0000 175.5872 74 R 3.7888 9.4175 122.9520 59.5192 30.4404 177.3744 75 L 4.0616 7.7804 116.0227 58.5309 41.9656 178.2638 76 G 4.1963 6.7147 102.7319 43.5806 0.0000 172.7249 77 R 4.7140 7.5869 119.7388 55.1866 29.3646 175.9906 78 Y 4.7379 8.7874 121.0172 57.6018 39.7990 174.4971 79 V 4.6275 8.5178 121.1001 61.8115 34.8033 174.1496 80 H 5.1613 9.0930 124.1154 54.1954 33.2352 171.8678 81 V 4.8409 8.3150 118.2873 61.9963 34.3971 175.7580 82 R 4.5236 8.9454 125.8565 53.9070 30.1272 173.7759 83 P 5.3017 0.0000 0.0000 62.7059 31.8928 175.6579 84 L 4.4897 8.1805 119.6985 55.5706 42.8337 174.3200 85 A 4.1114 8.4429 122.6324 53.0881 18.9200 176.3039 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 10 T 8.16 4.37 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 11 K 8.18 4.50 0.00 1.91 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.52 7.81 12 N 8.12 4.99 0.00 2.68 2.83 0.00 0.00 7.20 7.65 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 13 G 7.92 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.30 4.67 0.00 1.75 1.78 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 15 D 8.01 4.52 0.00 2.61 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 16 S 8.80 4.28 0.00 4.02 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 17 Q 8.67 4.06 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 18 A 8.34 4.08 1.27 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 0.00 0.00 19 K 8.68 4.13 0.00 1.77 1.89 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 20 R 7.79 3.78 0.00 1.96 1.97 0.00 3.20 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 21 L 7.40 4.64 0.00 1.61 1.84 0.90 1.12 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 22 G 8.34 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 0.00 0.00 0.00 23 V 7.96 3.40 1.72 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 0.30 0.00 0.00 0.68 0.00 0.00 24 K 8.41 4.19 0.00 2.01 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.36 7.81 25 R 7.87 4.86 0.00 1.76 1.77 0.00 3.15 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 26 Y 9.58 5.04 0.00 2.88 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 27 E 8.74 4.83 0.00 2.58 2.14 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 2.43 2.62 0.00 28 G 9.37 4.07 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 0.00 0.00 0.00 29 Q 7.96 4.80 0.00 2.21 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 30 V 8.40 4.35 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.56 4.53 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 0.82 0.00 0.00 1.00 0.00 0.00 32 R 8.91 4.71 0.00 2.09 1.69 0.00 3.23 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 33 A 8.08 4.95 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 34 G 8.57 4.06 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 0.00 0.00 0.00 35 N 8.31 4.38 0.00 2.69 2.80 0.00 0.00 7.09 7.27 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 36 I 8.56 3.85 1.89 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 1.37 0.46 1.01 0.00 0.00 37 L 9.03 4.09 0.00 1.62 1.57 0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.37 4.52 1.87 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 0.82 0.00 0.00 0.64 0.00 0.00 39 R 8.39 4.80 0.00 1.86 1.86 0.00 3.12 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 40 Q 8.56 4.56 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.13 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 41 R 8.99 4.04 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.23 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.54 3.19 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 0.00 43 T 7.56 4.56 4.07 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 1.12 0.00 0.00 44 R 8.22 3.94 0.00 2.01 2.04 0.00 3.16 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 45 F 9.22 4.76 0.00 2.84 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 46 K 8.42 4.32 0.00 0.79 1.05 0.00 0.62 0.00 0.00 1.23 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 0.93 7.81 47 P 0.00 4.67 0.00 2.16 1.86 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 48 G 8.13 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 49 K 8.46 3.78 0.00 1.80 1.76 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.41 1.17 7.81 50 N 8.89 4.24 0.00 2.91 2.91 0.00 0.00 6.42 7.68 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 51 V 7.27 4.72 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 1.09 0.00 0.00 0.96 0.00 0.00 52 G 7.83 4.07 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 0.00 0.00 0.00 53 M 7.86 6.00 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 54 G 8.39 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 3.80 0.00 1.81 1.88 0.00 3.07 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 56 D 7.91 4.79 0.00 2.85 2.76 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 57 F 7.41 3.87 0.00 3.21 3.17 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 58 T 7.85 4.17 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 59 L 8.94 5.10 0.00 1.70 1.48 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.94 5.58 0.00 3.11 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 61 A 8.82 4.60 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.70 0.00 1.65 1.75 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.43 4.48 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 0.93 0.00 0.00 0.94 0.00 0.00 64 D 7.87 5.44 0.00 2.73 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 65 G 7.36 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 0.00 0.00 0.00 0.00 66 V 7.67 5.59 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 1.30 0.00 0.00 0.95 0.00 0.00 67 V 8.25 4.47 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 68 E 9.05 5.08 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 2.20 2.34 0.00 69 F 9.17 5.14 0.00 2.95 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 70 Q 8.87 4.46 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 71 D 8.66 4.66 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 4.64 0.00 2.11 1.82 0.00 3.14 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 73 G 8.27 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 0.00 0.00 0.00 74 R 9.42 3.79 0.00 1.83 2.05 0.00 3.40 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 75 L 7.78 4.06 0.00 1.94 1.95 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 76 G 6.71 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 77 R 7.59 4.71 0.00 1.38 1.54 0.00 2.94 0.00 0.00 2.91 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.46 0.00 78 Y 8.79 4.74 0.00 2.93 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 79 V 8.52 4.63 1.91 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 0.04 0.00 0.00 1.00 0.00 0.00 80 H 9.09 5.16 0.00 3.00 3.38 0.00 5.62 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 81 V 8.32 4.84 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 0.83 0.00 0.00 0.89 0.00 0.00 82 R 8.95 4.52 0.00 1.93 2.10 0.00 2.85 0.00 0.00 3.39 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 83 P 0.00 5.30 0.00 2.10 2.10 0.00 3.39 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 84 L 8.18 4.49 0.00 1.59 1.63 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.44 4.11 1.21 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 0.00 0.00 0.00