NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1818 8.2549 119.6874 54.9033 31.7433 175.0802 2 P 4.0177 0.0000 0.0000 62.1599 31.8157 176.3584 3 D 4.4168 8.3782 121.7291 56.8915 41.7325 178.5288 4 F 4.3582 7.8567 114.7143 59.5587 37.6418 177.7115 5 C 4.7265 7.6021 116.4193 59.0635 40.0495 174.6375 6 L 4.3596 7.8075 118.9014 53.9916 42.0733 176.4296 7 E 4.3603 7.4732 119.3632 54.6504 30.3558 174.9480 8 P 4.3848 0.0000 0.0000 61.5471 32.0919 174.4149 9 P 3.5969 0.0000 0.0000 62.7099 31.3643 175.1826 10 Y 4.6594 7.8069 121.0639 56.1024 40.5984 175.4151 11 T 4.0575 8.3225 125.1467 65.2034 68.8652 176.0062 12 G 3.6916 6.8283 104.8272 44.0914 0.0000 171.1619 13 P 4.3784 0.0000 0.0000 64.1541 31.9946 177.5691 14 C 4.4792 7.8902 117.2716 56.8951 40.7910 173.3524 15 G 4.0112 8.2889 109.4602 45.7988 0.0000 173.8848 16 A 4.2748 7.6976 122.6556 50.5294 20.7734 177.8669 17 R 4.7373 7.9622 117.2558 54.5729 29.3883 173.2045 18 I 4.3803 8.2763 122.2630 59.2235 39.7108 175.6107 19 I 4.1739 8.2894 128.5041 61.3062 37.6977 175.4453 20 R 4.8591 8.3957 124.9385 54.6958 35.0759 173.4784 21 Y 5.6211 9.4418 117.6064 56.5427 41.2860 175.3348 22 F 5.7553 9.5522 116.9677 55.4366 41.9471 172.7966 23 Y 4.4626 10.1165 122.5515 57.0246 40.2064 173.9580 24 N 4.7495 8.0053 125.8519 51.3599 38.7089 174.7516 25 A 3.8092 8.2577 129.3637 54.8121 18.8242 178.9461 26 K 4.0467 8.0183 114.3759 58.8932 32.1891 177.9564 27 A 4.2406 7.9708 119.6642 51.8221 19.8057 177.9514 28 G 3.9588 8.8799 103.6991 44.8667 0.0000 172.3895 29 L 4.8758 6.8403 118.7375 54.2355 44.6475 175.2657 30 C 4.9866 8.6604 116.2790 56.2016 40.0799 173.4369 31 Q 4.9138 8.5515 121.6073 54.1188 32.6572 174.7267 32 T 4.8823 8.4282 110.7572 61.4101 70.7116 173.5928 33 F 4.9866 8.8314 116.7691 56.1050 42.0092 172.7837 34 V 4.4079 8.4019 119.6988 61.8214 32.4963 174.1193 35 Y 4.7998 8.8826 129.9975 56.0564 40.4214 176.4711 36 G 3.7031 8.2621 113.4187 46.3468 0.0000 175.0788 37 G 3.7974 6.2059 107.4538 45.2214 0.0000 172.5082 38 C 4.9811 6.8065 112.0023 54.7549 44.6877 173.2005 39 R 3.8443 8.8686 116.5869 57.0923 27.0564 176.8297 40 A 4.2298 8.3601 119.4057 52.4440 18.9734 178.6295 41 K 4.3180 8.3500 121.3506 55.2128 33.7031 177.2968 42 R 3.4995 7.9894 117.7940 58.7618 30.3959 177.5300 43 N 4.8188 7.7183 118.0709 51.3421 37.4225 174.1433 44 N 5.1147 6.6314 116.4839 52.8293 41.5877 173.1210 45 F 5.0444 9.5279 124.7399 55.6062 42.5555 176.4832 46 K 4.3912 8.8585 121.7393 58.2150 32.8092 177.8202 47 S 4.4320 7.7564 112.7785 55.4529 67.2209 174.5929 48 A 3.3924 7.2542 124.6655 54.8734 18.0475 179.7782 49 E 3.7256 7.7705 117.3624 59.5469 29.6671 178.5849 50 D 4.2621 7.8824 118.8644 57.4034 40.8788 178.0296 51 C 2.4500 7.5314 118.3389 59.1141 44.6282 175.7190 52 L 3.8561 7.9256 120.8496 57.7460 40.9329 179.6850 53 R 3.9291 7.9120 117.0583 58.5594 30.0002 178.1689 54 T 4.3637 7.1114 114.1732 64.2257 69.8321 174.6634 55 C 4.5091 8.2632 115.9435 55.7183 42.1460 174.0786 56 G 3.7811 7.3518 109.2849 47.4084 0.0000 174.1025 57 G 3.8661 8.9093 112.4870 44.9916 0.0000 173.0867 58 A 4.0615 7.2350 127.1454 52.4441 18.2407 177.2343 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.34 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.67 0.00 2 P 0.00 4.02 0.00 0.65 1.52 0.00 3.22 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.01 0.00 3 D 8.38 4.42 0.00 2.68 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 4 F 7.86 4.36 0.00 3.21 3.35 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 5 C 7.60 4.73 0.00 2.97 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 6 L 7.81 4.36 0.00 1.75 1.76 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.47 4.36 0.00 2.17 1.89 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 2.42 2.44 0.00 8 P 0.00 4.38 0.00 2.07 2.00 0.00 3.77 0.00 0.00 3.71 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 9 P 0.00 3.60 0.00 0.63 0.49 0.00 3.22 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.00 10 Y 7.81 4.66 0.00 2.78 2.89 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 11 T 8.32 4.06 4.11 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 1.16 0.00 0.00 12 G 6.83 3.69 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 0.00 0.00 0.00 13 P 0.00 4.38 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 14 C 7.89 4.48 0.00 2.88 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 15 G 8.29 4.01 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 0.00 0.00 0.00 16 A 7.70 4.27 1.12 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 17 R 7.96 4.74 0.00 1.72 1.75 0.00 3.19 0.00 0.00 3.19 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 18 I 8.28 4.38 2.00 0.00 0.00 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 1.20 0.62 0.96 0.00 0.00 19 I 8.29 4.17 1.81 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 1.26 0.40 0.69 0.00 0.00 20 R 8.40 4.86 0.00 0.76 1.80 0.00 3.43 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 21 Y 9.44 5.62 0.00 3.17 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 22 F 9.55 5.76 0.00 3.11 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 23 Y 10.12 4.46 0.00 3.10 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 24 N 8.01 4.75 0.00 2.33 2.43 0.00 0.00 6.71 9.10 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 25 A 8.26 3.81 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 26 K 8.02 4.05 0.00 1.91 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.97 4.24 1.17 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 0.00 0.00 28 G 8.88 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 0.00 0.00 0.00 29 L 6.84 4.88 0.00 1.69 1.72 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 4.99 0.00 2.90 3.16 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 0.00 0.00 0.00 0.00 31 Q 8.55 4.91 0.00 1.38 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 32 T 8.43 4.88 4.05 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 0.80 0.00 0.00 33 F 8.83 4.99 0.00 3.02 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 34 V 8.40 4.41 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 8.88 4.80 0.00 2.52 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 G 8.26 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 37 G 6.21 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.81 4.98 0.00 3.05 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 39 R 8.87 3.84 0.00 2.25 2.26 0.00 3.27 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 40 A 8.36 4.23 0.86 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 41 K 8.35 4.32 0.00 1.73 1.68 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.12 7.81 42 R 7.99 3.50 0.00 0.80 0.66 0.00 2.62 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.26 0.00 43 N 7.72 4.82 0.00 3.23 2.89 0.00 0.00 6.70 7.79 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 44 N 6.63 5.11 0.00 2.68 2.57 0.00 0.00 7.08 7.02 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 45 F 9.53 5.04 0.00 3.28 2.98 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 46 K 8.86 4.39 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.76 4.43 0.00 3.84 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 48 A 7.25 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.73 0.00 1.94 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 2.30 2.33 0.00 50 D 7.88 4.26 0.00 2.96 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 51 C 7.53 2.45 0.00 2.72 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 52 L 7.93 3.86 0.00 1.58 1.61 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.91 3.93 0.00 1.88 1.93 0.00 3.09 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.11 4.36 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 1.63 0.00 0.00 55 C 8.26 4.51 0.00 2.73 2.28 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.35 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 0.00 0.00 0.00 57 G 8.91 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 0.00 0.00 0.00 58 A 7.23 4.06 1.04 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