NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1955 8.1701 117.3741 63.2299 69.7963 173.5386 3 A 4.1707 8.3763 128.3675 51.3476 19.5069 174.7656 4 L 4.7604 8.3692 119.8947 52.7663 45.3439 175.2615 5 A 4.1158 8.3071 124.9266 51.3964 19.1137 177.3876 6 K 3.9841 8.4831 123.3646 55.6930 32.1451 175.1879 7 P 4.5934 0.0000 0.0000 61.2823 32.8244 175.2674 8 Q 4.0908 8.4012 119.7757 56.5502 29.1038 175.2474 9 M 4.7298 8.6332 122.4922 54.7359 33.4752 175.4578 10 R 4.6041 7.6587 118.1419 55.1717 33.1829 175.6998 11 G 3.9267 8.6610 107.6833 46.8285 0.0000 176.1156 12 L 3.9666 7.3408 119.0102 57.1476 41.5824 178.8226 13 L 3.9513 7.8671 119.8182 57.9940 42.1406 178.6352 14 A 4.0091 7.9293 120.3176 55.1225 18.4790 179.3519 15 R 3.8379 8.2166 117.3810 59.6039 30.1740 178.7524 16 R 3.9301 7.9612 118.3091 59.1633 29.9948 178.1399 17 L 3.9455 8.0696 120.1402 58.2086 42.2195 178.6317 18 R 3.8830 8.1393 118.6631 59.5987 30.0350 177.9957 19 F 3.9972 8.1603 119.8466 61.8494 39.3580 176.7483 20 H 4.4653 8.4661 115.1758 58.2801 28.5695 177.9116 21 I 3.7763 8.1023 122.4809 64.1980 36.9616 178.4539 22 V 3.6906 7.7967 119.2293 65.9365 31.3429 178.3914 23 G 3.4861 7.8684 105.1643 47.6079 0.0000 175.5738 24 A 4.0535 8.2315 123.3219 54.8225 18.3559 179.5343 25 F 4.1241 8.3578 119.2233 61.7817 39.4948 177.3015 26 M 3.9270 8.1187 118.2996 58.4491 31.7763 179.0009 27 V 3.6703 7.8945 118.2782 65.8107 31.5549 178.3638 28 S 4.1925 7.8986 115.3069 61.4039 62.6131 176.5570 29 L 3.9552 7.7573 121.9279 57.7168 41.3260 179.8434 30 G 3.6000 8.0884 105.7499 47.6200 0.0000 175.6146 31 F 4.2799 8.5078 122.7961 60.8284 39.3446 177.1866 32 A 3.8707 8.3798 120.6988 55.5929 18.0160 179.6649 33 T 3.8034 7.7857 112.8078 66.6912 68.7119 176.4174 34 F 4.2844 8.1047 122.4553 61.4311 39.5293 176.5692 35 Y 3.5825 8.1640 119.4833 60.2211 38.4965 178.1114 36 K 4.6204 8.2189 118.5853 56.0722 31.9353 177.2422 37 F 4.8311 7.7285 119.6964 59.6869 45.9861 175.4431 38 A 3.1176 7.6532 121.0089 53.0622 18.7012 177.1943 39 V 3.7944 7.2191 113.3554 63.6429 33.3232 177.2173 40 A 3.8839 7.2635 120.7031 55.3264 18.2332 179.2321 41 E 3.8658 7.8855 115.7127 59.1810 29.6827 179.3019 42 K 3.6854 7.2953 119.3643 59.4930 32.1470 178.7826 43 R 3.9178 7.8568 118.7340 59.4598 30.0793 178.6342 44 K 4.0293 7.9616 118.2823 59.4309 32.0559 179.3144 45 K 4.0165 8.5306 120.0757 59.1192 32.1027 178.7962 46 A 3.9400 8.1574 121.2962 55.4047 18.3261 179.3023 47 Y 3.7323 8.1536 115.0014 61.0180 37.9592 178.3861 48 A 4.1985 8.3710 121.8137 55.3271 18.2746 179.4843 49 D 4.3409 8.5385 116.8877 57.3577 40.9582 178.4711 50 F 4.0657 8.0251 120.2278 61.3746 39.5010 176.3299 51 Y 4.4749 8.1948 114.8337 59.0879 37.6691 177.4140 52 R 4.0993 7.6269 119.7416 58.8853 30.4260 178.0502 53 N 5.0643 7.8395 113.7337 52.7514 39.6723 174.1027 54 Y 4.0437 7.7031 119.3779 57.3414 39.6468 174.8017 55 D 4.5153 7.7503 125.9400 52.0284 42.9052 176.4108 56 S 3.7680 7.9070 123.5698 61.5058 63.0417 176.2077 57 M 4.1510 7.9557 121.8677 57.9261 31.8385 178.3672 58 K 3.9214 8.2682 119.9007 59.4339 32.3853 178.2784 59 D 4.3531 8.1138 118.3176 57.3870 41.1338 178.0133 60 F 4.3787 8.4777 121.1455 61.2827 39.3323 176.4364 61 E 3.6175 8.6527 119.3418 59.3879 29.4595 178.6669 62 E 3.9031 8.1269 118.2955 59.8178 29.4130 179.3640 63 M 3.9270 8.0381 118.6161 58.1317 31.8538 178.8591 64 R 3.9485 8.0955 119.2755 59.4986 30.0686 178.8569 65 K 3.9049 8.0464 116.8619 59.0399 32.0676 178.6086 66 A 4.2023 7.6286 119.4168 52.3590 18.4647 177.9515 67 G 3.8138 7.9654 105.6616 46.2120 0.0000 175.1868 68 I 3.7539 7.1148 115.1896 62.4579 37.9830 176.4331 69 F 4.8728 7.5105 119.1645 57.0570 39.7888 175.4486 70 Q 4.3262 8.9082 122.7350 57.8398 29.1727 177.2083 71 S 4.4438 8.1565 109.9221 58.5194 63.9919 173.7060 72 A 4.6184 7.9666 123.1792 50.5223 20.9507 175.7954 73 K 4.2594 8.8002 121.2384 56.9352 32.4024 176.6480 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 2 T 8.17 4.20 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 3 A 8.38 4.17 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 4 L 8.37 4.76 0.00 1.60 1.55 0.92 0.76 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 5 A 8.31 4.12 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 6 K 8.48 3.98 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.59 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 8 Q 8.40 4.09 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.63 4.73 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 10 R 7.66 4.60 0.00 1.83 1.78 0.00 3.27 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 11 G 8.66 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 0.00 0.00 0.00 12 L 7.34 3.97 0.00 1.72 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.87 3.95 0.00 1.76 1.66 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.93 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 3.84 0.00 1.91 2.18 0.00 3.23 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 R 7.96 3.93 0.00 2.04 2.13 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 17 L 8.07 3.95 0.00 1.84 1.88 0.95 0.67 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 18 R 8.14 3.88 0.00 1.94 2.14 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.16 4.00 0.00 3.19 3.13 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 20 H 8.47 4.47 0.00 3.41 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.10 3.78 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.05 0.90 0.00 0.00 22 V 7.80 3.69 2.16 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 0.92 0.00 0.00 0.89 0.00 0.00 23 G 7.87 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.05 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 25 F 8.36 4.12 0.00 3.11 3.25 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 0.00 26 M 8.12 3.93 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 3.04 0.00 27 V 7.89 3.67 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 1.03 0.00 0.00 1.00 0.00 0.00 28 S 7.90 4.19 0.00 4.00 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 29 L 7.76 3.96 0.00 1.62 1.56 0.13 0.63 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 30 G 8.09 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 31 F 8.51 4.28 0.00 3.14 3.31 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 32 A 8.38 3.87 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 33 T 7.79 3.80 4.40 0.00 0.00 0.00 0.00 0.00 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 34 F 8.10 4.28 0.00 3.18 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 35 Y 8.16 3.58 0.00 2.32 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 36 K 8.22 4.62 0.00 1.85 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.59 7.81 37 F 7.73 4.83 0.00 2.88 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 38 A 7.65 3.12 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.22 3.79 0.77 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 0.63 0.00 0.00 0.37 0.00 0.00 40 A 7.26 3.88 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 41 E 7.89 3.87 0.00 1.91 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 0.00 2.40 2.33 0.00 42 K 7.30 3.69 0.00 1.58 1.72 0.00 1.49 0.00 0.00 1.40 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.25 7.81 43 R 7.86 3.92 0.00 2.05 2.06 0.00 3.25 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 44 K 7.96 4.03 0.00 2.00 1.87 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 45 K 8.53 4.02 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.57 7.81 46 A 8.16 3.94 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 47 Y 8.15 3.73 0.00 3.18 3.21 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 48 A 8.37 4.20 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 49 D 8.54 4.34 0.00 2.83 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 50 F 8.03 4.07 0.00 2.81 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 51 Y 8.19 4.47 0.00 3.39 3.03 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 52 R 7.63 4.10 0.00 2.03 2.12 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 53 N 7.84 5.06 0.00 2.68 2.74 0.00 0.00 6.85 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 54 Y 7.70 4.04 0.00 2.84 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 55 D 7.75 4.52 0.00 2.56 2.32 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 56 S 7.91 3.77 0.00 4.15 4.19 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 57 M 7.96 4.15 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.27 3.92 0.00 1.94 1.88 0.00 1.59 0.00 0.00 1.51 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.42 7.81 59 D 8.11 4.35 0.00 2.91 2.93 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 60 F 8.48 4.38 0.00 3.18 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.65 3.62 0.00 2.37 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 0.00 2.33 2.39 0.00 62 E 8.13 3.90 0.00 2.25 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 2.31 2.45 0.00 63 M 8.04 3.93 0.00 1.65 2.33 0.00 0.00 0.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.51 0.00 64 R 8.10 3.95 0.00 1.20 1.75 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 65 K 8.05 3.90 0.00 1.68 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 66 A 7.63 4.20 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 67 G 7.97 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 0.00 0.00 0.00 68 I 7.11 3.75 1.59 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.72 0.00 0.00 69 F 7.51 4.87 0.00 3.42 3.01 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 0.00 0.00 0.00 0.00 70 Q 8.91 4.33 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 71 S 8.16 4.44 0.00 3.97 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 72 A 7.97 4.62 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.26 0.00 1.78 1.74 0.00 1.83 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.38 7.81