NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9542 8.3393 109.7359 45.6881 0.0000 172.9804 2 S 4.3789 8.0811 117.6797 57.4899 65.1346 172.2063 3 S 4.5961 8.4190 116.4498 57.2416 67.8517 175.3675 4 G 3.9831 9.9206 107.9531 46.5194 0.0000 173.0297 5 S 4.5304 7.9837 112.4810 57.7688 65.0340 174.9687 6 S 4.5196 8.8337 119.5782 57.7076 66.2948 177.1962 7 G 3.4042 9.1701 112.2747 46.0314 0.0000 173.2976 8 P 4.3268 0.0000 0.0000 62.1549 31.9429 177.1948 9 L 4.1556 8.2474 124.1523 53.4984 42.2309 175.5392 10 P 4.5244 0.0000 0.0000 61.6650 32.2019 175.7497 11 I 3.7558 8.1885 112.3127 60.3453 37.5930 173.9660 12 P 4.4405 0.0000 0.0000 61.7928 31.9287 174.5703 13 P 4.4177 0.0000 0.0000 61.7966 31.9532 174.2815 14 P 4.5272 0.0000 0.0000 61.4893 32.1282 174.2103 15 P 4.4052 0.0000 0.0000 61.7262 31.7863 174.4359 16 P 4.4092 0.0000 0.0000 62.6949 32.3309 174.8763 17 D 4.7888 8.2926 118.3177 52.8032 42.1274 176.5317 18 I 3.9236 8.1500 127.0474 62.1726 37.5572 177.6262 19 Q 3.9895 8.1591 119.5759 58.6293 28.5844 176.7335 20 P 4.2151 0.0000 0.0000 65.9719 31.3886 178.5489 21 L 4.0343 6.9477 116.0365 57.2436 41.2429 179.2016 22 E 4.2119 8.0728 119.0818 59.6176 29.4667 179.7364 23 R 3.9602 8.4319 118.2073 59.5489 30.2081 178.2983 24 Y 4.2317 7.9626 118.8635 60.7239 38.7006 177.7812 25 W 4.6493 9.1095 129.2603 60.9483 30.6731 177.8774 26 A 3.8724 8.0288 119.6653 54.4214 17.8610 179.3430 27 A 3.9434 8.1497 119.5839 55.2577 18.6416 177.9031 28 H 4.3339 7.9550 112.2734 55.7684 30.6511 175.1602 29 Q 2.6535 8.1440 117.6812 56.2684 27.3158 173.2080 30 Q 4.5757 7.9690 114.4328 54.0750 32.3386 174.1479 31 L 4.2443 8.7683 125.5100 54.0694 43.2371 176.3383 32 R 4.7084 8.0587 123.7861 53.7867 34.5207 176.4918 33 E 3.9094 8.9354 121.9094 59.7330 29.1109 179.5475 34 T 4.0924 7.7988 109.3862 64.2630 69.2164 175.8270 35 D 4.3097 7.7160 119.4319 54.9990 41.1716 178.3890 36 I 3.5483 7.7312 121.9280 63.8819 37.0569 176.4987 37 P 4.2141 0.0000 0.0000 65.7464 31.0574 178.2041 38 Q 4.1204 7.1767 120.4774 58.3658 29.1889 177.8990 39 L 3.9811 7.9592 120.1795 57.7996 41.6529 179.0134 40 S 4.0158 8.0659 113.1418 61.8935 62.1692 176.4141 41 Q 3.9313 7.9079 120.1150 58.6306 27.8239 178.7886 42 A 4.0450 8.0430 122.0234 55.2944 18.5121 179.3940 43 S 4.8877 7.7687 112.0881 57.9789 63.3051 174.2882 44 R 3.8577 7.3739 119.0580 57.6842 27.8463 174.6201 45 L 4.8640 7.9377 115.7529 52.8794 45.7163 176.5024 46 S 4.6522 8.2123 114.5567 57.8433 64.0265 175.7132 47 T 3.8495 8.6186 120.4515 67.3346 68.1166 176.3602 48 Q 4.0044 8.0491 120.6854 58.8656 29.0777 177.7980 49 Q 4.0467 8.6466 119.6527 59.1160 28.8451 179.0546 50 V 3.7603 7.8344 118.5110 66.0814 31.6612 177.6904 51 L 4.0595 7.7405 118.6210 58.0924 41.4180 179.1208 52 D 4.3940 8.3990 117.8307 56.7126 41.2385 177.8144 53 W 3.8633 8.5215 129.3607 60.5243 30.6778 177.9523 54 F 3.5768 8.7859 117.3467 60.5277 38.2629 176.9169 55 D 4.4030 7.8740 116.0940 57.8818 40.9650 178.3552 56 S 4.1186 7.9799 112.2830 61.1483 62.3749 176.0653 57 R 3.6450 7.0581 119.8641 58.0522 29.9697 177.3550 58 L 4.2201 7.1866 117.6578 54.0442 42.3550 175.5310 59 P 4.3857 0.0000 0.0000 62.6752 30.9544 176.2897 60 Q 4.1707 8.3706 121.9813 54.4638 29.5603 174.2907 61 P 4.2337 0.0000 0.0000 63.6275 30.8184 175.1788 62 A 4.2862 7.7421 124.5911 51.2175 21.5554 175.0101 63 E 4.2033 8.7411 118.3886 56.0008 30.1681 176.6366 64 V 4.4502 8.0043 122.7760 60.3083 34.2177 174.3226 65 S 3.9819 8.3652 118.6584 59.6177 62.9536 174.4973 66 G 4.5378 7.3870 127.0700 43.8491 0.0000 168.3810 67 P 4.3165 0.0000 0.0000 62.4459 32.2228 177.1758 68 S 4.3217 8.6302 118.0858 58.0839 63.5449 173.0609 69 S 4.4947 9.8096 119.3432 57.2970 64.2360 173.7545 70 G 3.6587 8.0219 112.0098 46.1791 0.0000 171.7578 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 G 8.34 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.08 4.38 0.00 4.01 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 3 S 8.42 4.60 0.00 3.81 3.76 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 4 G 9.92 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 5 S 7.98 4.53 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 6 S 8.83 4.52 0.00 3.82 3.65 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 0.00 0.00 0.00 0.00 7 G 9.17 3.40 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 0.00 8 P 0.00 4.33 0.00 2.19 2.11 0.00 3.83 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 1.98 1.98 0.00 9 L 8.25 4.16 0.00 1.64 1.64 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.52 0.00 2.17 2.07 0.00 3.80 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 1.98 1.95 0.00 11 I 8.19 3.76 1.87 0.00 0.00 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 1.47 0.59 0.91 0.00 0.00 12 P 0.00 4.44 0.00 2.20 2.09 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 1.99 1.95 0.00 13 P 0.00 4.42 0.00 2.20 2.09 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 1.98 1.95 0.00 14 P 0.00 4.53 0.00 2.20 2.11 0.00 3.76 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 1.98 1.95 0.00 15 P 0.00 4.41 0.00 2.21 2.10 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 1.99 1.96 0.00 16 P 0.00 4.41 0.00 2.24 2.11 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 17 D 8.29 4.79 0.00 2.67 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 18 I 8.15 3.92 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.93 0.94 0.00 0.00 19 Q 8.16 3.99 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 20 P 0.00 4.22 0.00 2.02 2.06 0.00 3.57 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 21 L 6.95 4.03 0.00 0.27 0.58 -0.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.07 4.21 0.00 2.20 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 2.75 2.57 0.00 23 R 8.43 3.96 0.00 1.99 2.05 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 24 Y 7.96 4.23 0.00 3.27 3.23 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 25 W 9.11 4.65 0.00 3.50 3.42 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 26 A 8.03 3.87 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 27 A 8.15 3.94 1.28 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 0.00 0.00 28 H 7.96 4.33 0.00 2.56 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.14 2.65 0.00 1.65 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.21 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 30 Q 7.97 4.58 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 31 L 8.77 4.24 0.00 1.09 1.53 -0.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.06 4.71 0.00 1.84 1.75 0.00 3.24 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 33 E 8.94 3.91 0.00 1.91 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 0.00 2.30 2.37 0.00 34 T 7.80 4.09 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 35 D 7.72 4.31 0.00 2.64 2.26 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 0.00 36 I 7.73 3.55 1.99 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 1.45 0.62 0.87 0.00 0.00 37 P 0.00 4.21 0.00 2.22 2.27 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.98 0.00 38 Q 7.18 4.12 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 39 L 7.96 3.98 0.00 1.65 1.57 0.27 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.07 4.02 0.00 4.05 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 41 Q 7.91 3.93 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 42 A 8.04 4.04 1.28 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 0.00 0.00 43 S 7.77 4.89 0.00 3.77 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 44 R 7.37 3.86 0.00 1.94 1.96 0.00 3.08 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 45 L 7.94 4.86 0.00 1.55 1.57 0.86 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.21 4.65 0.00 3.89 3.77 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 47 T 8.62 3.85 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 48 Q 8.05 4.00 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 49 Q 8.65 4.05 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 50 V 7.83 3.76 2.12 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 1.31 0.00 0.00 0.95 0.00 0.00 51 L 7.74 4.06 0.00 1.95 1.75 0.96 0.91 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 52 D 8.40 4.39 0.00 2.89 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 53 W 8.52 3.86 0.00 3.62 3.27 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 54 F 8.79 3.58 0.00 3.21 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 55 D 7.87 4.40 0.00 2.93 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 56 S 7.98 4.12 0.00 3.82 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 57 R 7.06 3.64 0.00 0.85 0.90 0.00 2.79 0.00 0.00 2.64 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 58 L 7.19 4.22 0.00 1.83 1.75 1.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.39 0.00 2.22 2.16 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 60 Q 8.37 4.17 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 61 P 0.00 4.23 0.00 2.20 2.15 0.00 3.80 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 1.99 1.97 0.00 62 A 7.74 4.29 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 63 E 8.74 4.20 0.00 2.07 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 2.27 2.35 0.00 64 V 8.00 4.45 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 0.97 0.00 0.00 0.97 0.00 0.00 65 S 8.37 3.98 0.00 4.01 3.90 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 66 G 7.39 4.54 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 0.00 67 P 0.00 4.32 0.00 2.20 2.09 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 1.99 1.96 0.00 68 S 8.63 4.32 0.00 4.00 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 69 S 9.81 4.49 0.00 3.80 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 70 G 8.02 3.66 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 0.00 0.00 0.00