NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4670 8.1627 120.3276 55.1342 32.9765 178.1166 2 K 3.7624 8.7156 125.1717 57.2132 32.4924 169.0038 3 V 3.2527 7.9072 120.8917 62.9847 31.7919 171.4093 4 R 4.1987 8.4736 125.7981 56.9017 30.8082 176.5179 5 A 4.3455 7.7316 118.7376 52.7165 18.4441 176.9435 6 S 4.6898 8.2258 107.0759 56.7994 63.9881 175.1741 7 V 4.4292 7.5364 129.0374 62.3533 31.6883 173.1978 8 K 4.4484 8.1298 118.4948 55.5301 33.7129 175.7362 9 K 4.1716 8.4491 119.1899 57.4556 32.6737 177.1230 10 L 3.4995 8.1340 123.0059 54.9257 42.5968 174.8740 11 C 3.8928 8.4282 120.9219 58.8787 31.4687 170.6611 12 R 4.4640 8.3010 113.1025 58.4417 31.8088 177.7230 13 N 4.8672 8.0132 113.1874 53.6624 38.5017 173.8999 14 C 5.5545 7.5094 115.2394 57.3963 30.0099 174.1964 15 K 4.4251 8.2808 123.3571 55.4889 33.1672 177.0088 16 I 3.9369 8.1289 121.0237 63.6362 37.5837 173.9935 17 V 3.4574 7.7346 125.1849 62.1814 31.8384 171.6638 18 K 4.6585 8.2002 122.1174 56.2872 33.3306 177.9868 19 R 4.0169 8.1444 117.4344 59.4364 29.0684 176.7559 20 D 4.4445 7.6760 113.5291 53.2872 42.9502 175.1115 21 G 3.6578 9.1819 110.9461 46.5867 0.0000 173.7645 22 V 3.4907 7.8633 114.6457 60.4020 29.6620 175.3302 23 I 3.6145 8.5445 119.7706 62.4248 36.9394 176.4907 24 R 4.2579 7.8200 119.3491 56.0454 30.3376 176.3828 25 V 4.5588 8.0181 116.5088 63.2114 33.6139 173.7360 26 I 3.7799 7.8575 112.5754 61.3970 37.8189 174.2391 27 C 5.3363 8.8219 119.6321 57.2844 32.1868 175.0939 28 S 4.1018 9.1692 117.5892 60.7833 63.2664 175.4992 29 A 4.0315 7.6882 122.7386 53.2752 17.2479 177.5622 30 E 4.7763 8.6938 112.8095 52.2587 33.2460 176.1549 31 P 4.0319 0.0000 0.0000 64.9273 31.5852 177.3452 32 K 3.8600 7.0109 119.8967 59.5149 32.1963 176.6146 33 H 4.7111 7.9999 122.3702 54.0778 28.0090 173.6752 34 K 4.2090 8.3746 128.0442 57.1624 34.6943 175.7628 35 Q 3.5415 7.7927 115.3506 56.7766 25.6866 173.5491 36 R 4.3172 8.8105 117.4809 54.6929 30.1027 176.4724 37 Q 4.3847 8.3071 126.2280 54.9754 26.9716 176.6270 38 G 3.7090 7.6523 113.5475 46.6115 0.0000 170.1195 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 M 8.16 4.47 0.00 2.10 1.77 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 K 8.72 3.76 0.00 1.84 1.80 0.00 1.89 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.43 7.81 3 V 7.91 3.25 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 0.82 0.00 0.00 0.99 0.00 0.00 4 R 8.47 4.20 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 5 A 7.73 4.35 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 6 S 8.23 4.69 0.00 3.81 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 7 V 7.54 4.43 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 0.82 0.00 0.00 0.94 0.00 0.00 8 K 8.13 4.45 0.00 1.72 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.43 7.81 9 K 8.45 4.17 0.00 1.72 1.79 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 10 L 8.13 3.50 0.00 1.75 1.67 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.43 3.89 0.00 3.16 2.92 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 0.00 0.00 0.00 12 R 8.30 4.46 0.00 1.91 1.89 0.00 3.23 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 13 N 8.01 4.87 0.00 2.78 2.81 0.00 0.00 6.86 7.66 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 14 C 7.51 5.55 0.00 3.04 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 15 K 8.28 4.43 0.00 1.71 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 16 I 8.13 3.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.34 0.91 0.00 0.00 17 V 7.73 3.46 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 0.77 0.00 0.00 0.92 0.00 0.00 18 K 8.20 4.66 0.00 1.96 1.92 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 19 R 8.14 4.02 0.00 1.93 2.13 0.00 3.07 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 20 D 7.68 4.44 0.00 2.78 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 21 G 9.18 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 22 V 7.86 3.49 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 0.75 0.00 0.00 0.96 0.00 0.00 23 I 8.54 3.61 1.96 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 1.30 0.73 0.99 0.00 0.00 24 R 7.82 4.26 0.00 2.08 2.08 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 25 V 8.02 4.56 2.31 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 0.78 0.00 0.00 1.07 0.00 0.00 26 I 7.86 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.90 0.00 0.00 27 C 8.82 5.34 0.00 2.97 3.04 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 28 S 9.17 4.10 0.00 4.00 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 29 A 7.69 4.03 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 30 E 8.69 4.78 0.00 2.10 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 2.26 2.22 0.00 31 P 0.00 4.03 0.00 2.21 2.23 0.00 3.82 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 32 K 7.01 3.86 0.00 1.59 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.46 7.81 33 H 8.00 4.71 0.00 3.27 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.37 4.21 0.00 2.14 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 35 Q 7.79 3.54 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 36 R 8.81 4.32 0.00 1.71 1.87 0.00 3.26 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 37 Q 8.31 4.38 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 38 G 7.65 3.71 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 0.00 0.00 0.00