NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3526 0.0000 0.0000 60.8108 34.1190 175.2030 4 R 4.3420 7.3673 117.3113 53.6941 32.1567 174.8204 5 P 4.2563 0.0000 0.0000 66.0261 32.6408 178.0738 6 L 3.7990 8.0171 117.3133 57.8742 41.4450 179.0925 7 D 4.3879 7.8652 118.9001 57.5376 40.6098 179.0096 8 V 3.7181 7.3793 116.8181 65.0104 31.7941 177.2253 9 L 4.0411 7.7973 120.3032 57.6697 41.8953 178.0115 10 N 4.5733 7.8601 116.7667 56.7699 38.8018 176.6998 11 R 3.9786 7.6696 117.9570 58.9279 30.3561 178.0343 12 S 4.6313 7.8000 113.0111 56.9552 63.1652 173.8495 13 L 4.2263 7.4280 122.7202 56.7341 41.6904 177.7026 14 K 4.0909 9.7149 122.6506 56.4731 30.7464 175.9674 15 S 5.0375 8.0464 115.8724 55.5791 65.9759 171.9881 16 P 4.9498 0.0000 0.0000 63.4035 32.5897 175.4657 17 V 4.7275 9.0409 114.6944 60.1648 37.0414 173.9159 18 I 4.8801 9.4918 122.4588 59.6773 40.4537 175.2559 19 V 4.6350 8.9708 127.0476 61.0335 34.1657 174.0877 20 R 4.3039 7.9083 129.6288 55.3478 31.1006 175.6949 21 L 5.0023 8.8244 126.6078 52.9532 44.5869 175.9096 22 K 4.0801 8.7579 121.2952 57.4443 31.8570 177.2978 23 G 3.9718 9.6982 112.9851 45.0703 0.0000 174.6735 24 G 4.0384 7.6671 106.5655 45.2836 0.0000 174.2867 25 R 4.4097 7.8534 118.5236 56.1733 31.7635 175.1324 26 E 5.1962 8.6683 118.8466 54.8009 34.4974 174.8449 27 F 5.0583 9.0942 119.3048 55.8345 43.1423 174.2131 28 R 5.0216 8.6729 122.1090 54.6326 33.3310 175.4848 29 G 4.2876 8.1380 109.0403 46.5423 0.0000 171.4266 30 T 4.6892 8.0455 117.0880 62.3991 69.9568 174.5703 31 L 4.5690 8.6292 129.3949 55.2928 42.1740 176.2466 32 D 4.1845 8.9786 127.3635 55.0885 42.7932 175.7115 33 G 4.1290 7.4656 103.8806 46.1773 0.0000 171.3341 34 Y 5.6777 7.7453 116.6338 57.6002 40.4217 172.4620 35 D 4.8696 8.0324 117.8942 51.9522 42.5203 175.8055 36 I 3.8005 8.3594 118.3694 65.1421 37.4367 177.1279 37 H 4.3395 8.1051 115.7287 56.6415 28.8212 175.5731 38 M 3.4063 8.1805 118.8126 56.3392 31.1424 175.6824 39 N 4.9834 8.5542 113.9891 52.8392 40.0785 174.2413 40 L 5.3085 8.9728 121.1381 52.9576 46.3950 175.6056 41 V 4.7832 8.5773 120.9733 61.2094 34.1281 174.3030 42 L 5.3886 8.9633 127.7451 53.0850 45.3187 175.6663 43 L 4.8619 8.8522 122.4377 53.4730 44.7550 175.7369 44 D 4.6462 8.0918 117.3252 55.4292 38.5345 172.7447 45 A 5.1994 8.2803 123.3611 50.0145 23.5180 175.7932 46 E 5.1593 9.1443 118.0396 54.5600 33.4873 174.8475 47 E 4.0032 8.9764 125.2001 54.7330 31.6225 174.6730 48 I 4.8781 8.5939 127.3035 59.4775 40.8942 174.4249 49 Q 4.1518 8.7034 126.8155 54.2974 31.6999 174.5794 50 N 4.2521 9.6832 126.0554 54.4257 35.8206 175.2411 51 G 3.9760 8.0526 102.4064 45.5615 0.0000 171.9110 52 E 4.6041 7.6941 118.6898 54.0546 32.7356 175.4331 53 V 4.1418 8.2921 122.2502 62.9006 31.4305 175.9805 54 V 4.1909 8.1910 121.0353 61.9524 32.6954 176.2820 55 R 4.5759 7.3804 118.6470 55.2199 33.3010 173.2909 56 K 5.1938 8.6838 123.5605 54.8081 35.5132 175.9868 57 V 4.5327 8.7207 116.6062 59.6192 35.8123 176.7495 58 G 3.8606 9.0850 111.5916 48.8915 0.0000 173.1013 59 S 5.2897 7.7862 111.4882 57.9185 65.1951 176.0171 60 V 4.4286 8.5725 120.8462 60.4760 35.0231 173.2269 61 V 4.6459 8.2827 123.2029 61.5064 32.9395 174.5199 62 I 4.3647 8.5748 129.7011 59.3933 39.5215 175.7986 63 R 4.4065 8.5380 126.1908 55.8456 30.7837 177.5853 64 G 4.1215 9.6880 112.5691 47.5446 0.0000 174.7396 65 D 4.3211 8.3540 118.5044 57.3915 41.2015 177.3501 66 T 4.2026 7.9308 106.6860 62.1055 69.3529 174.2233 67 V 4.3152 7.6867 123.3260 62.5680 32.5624 175.1510 68 V 4.3160 8.6977 127.2355 64.4652 32.5454 175.5188 69 F 5.0393 7.2587 112.8056 55.9187 41.1766 172.7542 70 V 5.1186 8.5619 119.1095 61.3386 34.0043 174.5745 71 S 4.8704 9.4962 121.5582 55.9865 66.9248 171.7480 72 P 5.1030 0.0000 0.0000 61.8231 32.3031 175.8559 73 A 4.0834 8.0337 122.6493 51.6795 18.9057 176.3603 74 P 4.3588 0.0000 0.0000 63.1989 31.4377 176.2750 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 P 0.00 4.35 0.00 2.06 2.05 0.00 3.63 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 1.92 2.08 0.00 4 R 7.37 4.34 0.00 1.88 2.03 0.00 3.38 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 5 P 0.00 4.26 0.00 2.19 2.08 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 6 L 8.02 3.80 0.00 1.71 1.76 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.87 4.39 0.00 2.82 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 8 V 7.38 3.72 2.17 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 0.77 0.00 0.00 0.91 0.00 0.00 9 L 7.80 4.04 0.00 1.50 1.20 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.86 4.57 0.00 3.10 3.12 0.00 0.00 7.21 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 11 R 7.67 3.98 0.00 2.03 2.01 0.00 3.26 0.00 0.00 3.38 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 12 S 7.80 4.63 0.00 4.05 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 13 L 7.43 4.23 0.00 1.69 1.69 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.71 4.09 0.00 1.90 2.02 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.41 7.81 15 S 8.05 5.04 0.00 3.87 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 16 P 0.00 4.95 0.00 2.13 2.20 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 17 V 9.04 4.73 2.21 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 1.06 0.00 0.00 1.01 0.00 0.00 18 I 9.49 4.88 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.97 0.00 0.00 19 V 8.97 4.63 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 0.97 0.00 0.00 0.93 0.00 0.00 20 R 7.91 4.30 0.00 0.79 0.66 0.00 3.19 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 21 L 8.82 5.00 0.00 1.67 1.58 1.15 0.65 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 22 K 8.76 4.08 0.00 1.60 1.75 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.59 7.81 23 G 9.70 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 24 G 7.67 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 25 R 7.85 4.41 0.00 1.74 1.74 0.00 3.04 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.63 0.00 26 E 8.67 5.20 0.00 1.81 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 0.00 2.11 2.20 0.00 27 F 9.09 5.06 0.00 2.99 2.85 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 28 R 8.67 5.02 0.00 1.75 1.82 0.00 3.18 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 29 G 8.14 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 30 T 8.05 4.69 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 1.21 0.00 0.00 31 L 8.63 4.57 0.00 1.85 1.77 1.12 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.98 4.18 0.00 2.68 2.66 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 33 G 7.47 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.75 5.68 0.00 3.01 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 35 D 8.03 4.87 0.00 2.85 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 36 I 8.36 3.80 1.74 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 1.43 0.52 0.89 0.00 0.00 37 H 8.11 4.34 0.00 3.42 3.34 0.00 5.90 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.18 3.41 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 39 N 8.55 4.98 0.00 2.97 2.79 0.00 0.00 6.81 6.30 0.00 0.00 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 L 8.97 5.31 0.00 1.49 1.51 0.90 0.94 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 41 V 8.58 4.78 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.91 0.00 0.00 42 L 8.96 5.39 0.00 1.49 1.49 0.91 0.47 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 43 L 8.85 4.86 0.00 1.56 1.55 0.92 0.96 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 44 D 8.09 4.65 0.00 2.75 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 45 A 8.28 5.20 1.42 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 0.00 0.00 46 E 9.14 5.16 0.00 1.85 1.77 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 2.22 2.24 0.00 47 E 8.98 4.00 0.00 1.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 48 I 8.59 4.88 1.77 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 1.05 0.77 0.92 0.00 0.00 49 Q 8.70 4.15 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.21 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 50 N 9.68 4.25 0.00 2.82 2.79 0.00 0.00 7.21 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 51 G 8.05 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 0.00 0.00 0.00 52 E 7.69 4.60 0.00 1.91 1.78 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 2.34 2.33 0.00 53 V 8.29 4.14 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 0.76 0.00 0.00 0.91 0.00 0.00 54 V 8.19 4.19 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 0.68 0.00 0.00 0.87 0.00 0.00 55 R 7.38 4.58 0.00 1.80 1.72 0.00 3.13 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 56 K 8.68 5.19 0.00 1.64 1.68 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 57 V 8.72 4.53 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 0.82 0.00 0.00 1.06 0.00 0.00 58 G 9.09 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 0.00 0.00 0.00 59 S 7.79 5.29 0.00 3.80 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 60 V 8.57 4.43 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 0.42 0.00 0.00 0.57 0.00 0.00 61 V 8.28 4.65 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 0.80 0.00 0.00 0.89 0.00 0.00 62 I 8.57 4.36 1.75 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.26 0.85 0.00 0.00 63 R 8.54 4.41 0.00 1.82 1.85 0.00 3.29 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 64 G 9.69 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.35 4.32 0.00 2.64 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 66 T 7.93 4.20 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 V 7.69 4.32 2.19 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 0.74 0.00 0.00 0.97 0.00 0.00 68 V 8.70 4.32 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 1.03 0.00 0.00 0.96 0.00 0.00 69 F 7.26 5.04 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.56 5.12 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 0.87 0.00 0.00 0.92 0.00 0.00 71 S 9.50 4.87 0.00 3.89 3.99 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 72 P 0.00 5.10 0.00 1.97 2.06 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 73 A 8.03 4.08 1.24 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 0.00 0.00 0.00 74 P 0.00 4.36 0.00 2.06 2.04 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00