NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2652 8.1933 115.2927 60.2806 62.5831 173.2923 2 R 3.3373 8.0914 120.8143 55.9708 28.2873 172.7865 3 V 3.8804 7.6316 114.3419 61.2017 30.1897 176.2765 4 C 3.9361 8.2751 125.1468 60.0987 31.1876 172.8887 5 Q 3.8496 7.3524 119.8992 57.4577 28.9202 174.8431 6 V 3.6852 7.7323 119.6263 64.5518 31.8027 177.5091 7 T 4.3435 7.9305 109.0425 59.4709 68.9683 174.6794 8 G 4.0374 8.2786 107.9124 46.4017 0.0000 173.9212 9 K 4.0430 7.5756 117.7252 56.3262 32.4496 176.6578 10 R 4.8990 8.1664 121.2185 53.0802 33.6884 173.3918 11 P 4.4235 0.0000 0.0000 63.0229 31.7979 176.0062 12 V 4.6428 8.1657 117.3482 59.4105 34.6587 175.0370 13 T 4.5186 8.5957 114.9768 61.3714 69.7060 173.9679 14 G 4.6154 8.6562 114.8563 45.2595 0.0000 170.4317 15 N 5.3248 8.8898 117.6221 51.7191 41.9016 174.6894 16 N 4.2018 8.4662 120.7671 55.7898 38.7776 174.2262 17 R 3.5982 7.9921 128.8587 56.1178 26.8124 176.2854 18 S 4.5048 7.7428 118.6480 56.6252 65.0806 173.6909 19 H 4.0314 8.2713 116.8798 56.9524 28.7986 177.2588 20 A 4.0589 9.0632 121.9501 52.0209 17.5141 177.7810 21 L 3.7874 7.9867 113.4674 56.3246 38.3059 174.4709 22 N 4.6661 7.8240 115.8248 52.8135 39.6635 174.7979 23 A 4.5782 8.6066 127.0068 51.6236 19.4374 177.4082 24 T 4.3962 8.7065 113.1091 60.5396 70.4963 172.1842 25 K 5.2428 6.9977 125.5126 52.3791 30.9253 174.9728 26 R 4.2042 8.7074 120.4834 54.6676 31.9057 173.7928 27 R 4.1406 8.0506 121.5429 55.1156 28.0564 175.3336 28 F 4.4438 8.3364 123.3237 57.3157 39.8647 174.6654 29 L 4.4415 8.0281 121.0007 54.6193 42.5697 172.4797 30 P 4.6687 0.0000 0.0000 61.3459 33.1499 175.7447 31 N 4.6026 8.4767 117.8295 52.0142 36.6314 173.5015 32 L 5.5294 8.4365 123.6595 52.7153 43.3167 177.4085 33 H 4.7967 8.2674 120.7836 54.8541 28.6262 171.8489 34 S 3.6028 8.1976 119.2640 59.7964 62.4801 171.3477 35 H 4.2809 7.7464 116.3150 55.5881 33.8433 172.8908 36 R 4.7815 8.3764 125.0826 55.4686 31.1445 175.8211 37 F 5.1644 9.6959 122.7822 55.6707 42.1419 174.4550 38 W 5.4901 9.1945 131.1019 56.9296 31.2251 176.1097 39 V 3.8284 6.7133 118.2339 60.5954 33.7328 176.1443 40 E 3.0918 5.9000 122.9967 57.1801 27.2401 176.0345 41 S 3.8154 7.1679 111.6668 62.7521 63.2459 175.5729 42 E 3.9289 7.7141 122.1703 56.5567 30.2250 176.3524 43 K 3.3788 7.4387 117.9208 56.8529 30.4197 174.0220 44 R 4.9700 6.9302 112.4760 55.3009 33.3855 174.0901 45 F 6.0289 8.8363 118.2353 56.4111 40.3628 175.8803 46 V 4.5902 8.7455 115.9348 59.8248 34.6195 174.4382 47 T 4.8107 8.7471 120.8207 61.4733 67.0412 173.8851 48 L 4.7770 9.1851 128.2833 52.9680 46.1711 175.4976 49 R 4.2069 8.9561 123.3077 57.0617 30.6984 175.9326 50 V 4.9971 8.5206 117.4136 58.4844 36.7273 174.3310 51 S 5.7469 8.6386 113.6823 55.5272 66.4727 173.6699 52 A 4.2569 8.4318 123.1091 53.2448 18.6452 176.9142 53 K 4.3060 9.0175 126.3763 57.5892 31.5203 178.6121 54 G 4.3199 7.9078 103.6655 46.2304 0.0000 173.8515 55 M 4.4772 7.9399 120.0632 57.2001 33.1912 177.9212 56 R 4.3383 8.4247 118.4681 58.5848 30.2113 178.5281 57 V 3.7561 9.0175 119.5936 64.9567 30.4320 178.4973 58 I 3.7669 7.5958 119.8881 62.9126 36.8375 177.2590 59 D 4.6248 8.3065 119.6378 54.5973 40.7091 176.8974 60 K 4.2718 8.5445 119.2426 55.9296 33.2008 177.1230 61 K 4.0111 8.7375 118.0604 59.4238 33.3104 177.1465 62 G 4.0657 8.0750 104.1673 44.2868 0.0000 173.9892 63 I 3.2523 7.9914 114.6428 65.0760 37.1748 177.8387 64 D 4.2642 7.6819 122.0564 56.3845 41.3306 178.3937 65 T 3.9850 7.8629 115.9152 66.9608 68.2857 176.4672 66 V 3.8920 8.0459 120.0097 65.2741 31.5675 177.4427 67 L 4.0475 7.6610 116.7607 56.1228 41.0976 178.4221 68 A 4.0314 8.2883 122.2517 56.0632 18.0730 179.1564 69 E 4.1531 7.9737 114.6525 57.1180 30.0738 176.0222 70 L 3.9894 8.5812 121.3604 56.5618 39.8615 176.7787 71 R 3.7140 7.5931 116.7174 58.0023 30.2117 176.9770 72 A 4.4184 7.3778 118.7338 53.2729 18.6365 177.9315 73 R 4.4941 7.6792 112.5368 55.0088 32.9164 175.6112 74 G 3.8847 9.3576 106.5839 46.3026 0.0000 174.5997 75 E 4.4618 7.7108 117.1330 55.2646 29.1993 177.3174 76 K 3.3672 8.3243 119.7935 57.7499 33.3523 175.6671 77 Y 4.0496 8.6528 114.8150 58.0092 39.1214 169.8163 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 S 8.19 4.27 0.00 3.88 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 2 R 8.09 3.34 0.00 2.01 2.11 0.00 3.44 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 3 V 7.63 3.88 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 0.81 0.00 0.00 0.98 0.00 0.00 4 C 8.28 3.94 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.35 3.85 0.00 2.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 6 V 7.73 3.69 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 0.92 0.00 0.00 0.89 0.00 0.00 7 T 7.93 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 1.20 0.00 0.00 8 G 8.28 4.04 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 0.00 9 K 7.58 4.04 0.00 1.88 1.76 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 10 R 8.17 4.90 0.00 1.76 1.81 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 11 P 0.00 4.42 0.00 2.20 2.10 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 12 V 8.17 4.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.03 0.00 0.00 13 T 8.60 4.52 4.27 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 1.23 0.00 0.00 14 G 8.66 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.89 5.32 0.00 2.62 2.70 0.00 0.00 6.78 8.00 0.00 0.00 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 N 8.47 4.20 0.00 2.80 2.82 0.00 0.00 6.98 7.54 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 17 R 7.99 3.60 0.00 1.96 1.99 0.00 3.37 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 18 S 7.74 4.50 0.00 4.22 4.02 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 19 H 8.27 4.03 0.00 3.26 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.06 4.06 1.39 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 0.00 0.00 0.00 21 L 7.99 3.79 0.00 1.79 1.85 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.82 4.67 0.00 2.68 2.75 0.00 0.00 6.95 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 23 A 8.61 4.58 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 24 T 8.71 4.40 4.22 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 1.20 0.00 0.00 25 K 7.00 5.24 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.44 7.81 26 R 8.71 4.20 0.00 1.61 1.93 0.00 2.78 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.00 27 R 8.05 4.14 0.00 1.92 1.93 0.00 3.05 0.00 0.00 3.87 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 28 F 8.34 4.44 0.00 3.16 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 L 8.03 4.44 0.00 1.72 1.64 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.67 0.00 2.20 2.10 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 N 8.48 4.60 0.00 3.04 3.11 0.00 0.00 5.90 6.67 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 32 L 8.44 5.53 0.00 1.63 1.62 0.98 1.12 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 33 H 8.27 4.80 0.00 3.19 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.20 3.60 0.00 4.04 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 35 H 7.75 4.28 0.00 3.18 2.86 0.00 5.77 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.38 4.78 0.00 1.41 1.73 0.00 3.10 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 37 F 9.70 5.16 0.00 3.01 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 38 W 9.19 5.49 0.00 3.43 3.06 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 39 V 6.71 3.83 1.85 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 0.68 0.00 0.00 0.67 0.00 0.00 40 E 5.90 3.09 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.07 0.00 41 S 7.17 3.82 0.00 3.71 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 42 E 7.71 3.93 0.00 1.89 1.92 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 2.30 2.29 0.00 43 K 7.44 3.38 0.00 1.92 1.83 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.53 7.81 44 R 6.93 4.97 0.00 2.03 2.06 0.00 3.12 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 F 8.84 6.03 0.00 3.12 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 46 V 8.75 4.59 2.20 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 0.94 0.00 0.00 1.02 0.00 0.00 47 T 8.75 4.81 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 1.27 0.00 0.00 48 L 9.19 4.78 0.00 1.80 1.59 0.78 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.96 4.21 0.00 1.73 1.93 0.00 3.17 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 50 V 8.52 5.00 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 0.96 0.00 0.00 1.03 0.00 0.00 51 S 8.64 5.75 0.00 3.85 3.93 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 52 A 8.43 4.26 1.29 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 53 K 9.02 4.31 0.00 1.96 1.96 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.36 7.81 54 G 7.91 4.32 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 0.00 0.00 0.00 55 M 7.94 4.48 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 56 R 8.42 4.34 0.00 1.85 2.06 0.00 3.07 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 57 V 9.02 3.76 2.23 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 0.76 0.00 0.00 0.91 0.00 0.00 58 I 7.60 3.77 1.91 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 1.48 0.84 0.59 0.00 0.00 59 D 8.31 4.62 0.00 2.86 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 60 K 8.54 4.27 0.00 1.63 1.61 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.37 7.81 61 K 8.74 4.01 0.00 1.75 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.47 7.81 62 G 8.07 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 63 I 7.99 3.25 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.39 0.80 0.00 0.00 64 D 7.68 4.26 0.00 2.60 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 65 T 7.86 3.98 4.37 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 1.21 0.00 0.00 66 V 8.05 3.89 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 0.89 0.00 0.00 0.86 0.00 0.00 67 L 7.66 4.05 0.00 1.84 1.64 0.75 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.29 4.03 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 69 E 7.97 4.15 0.00 2.10 1.96 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 2.40 2.40 0.00 70 L 8.58 3.99 0.00 2.23 2.09 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.59 3.71 0.00 1.67 1.97 0.00 3.17 0.00 0.00 3.01 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 72 A 7.38 4.42 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.49 0.00 1.86 1.92 0.00 3.24 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 74 G 9.36 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 75 E 7.71 4.46 0.00 2.04 1.98 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 2.25 2.29 0.00 76 K 8.32 3.37 0.00 2.01 1.84 0.00 1.78 0.00 0.00 1.84 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.55 7.81 77 Y 8.65 4.05 0.00 3.21 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