NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2517 8.1727 120.1341 56.5749 34.2930 177.0674 3 V 3.2920 7.7868 115.8593 62.8988 31.4629 178.1945 4 R 3.1374 7.9933 116.0139 57.7823 32.9129 174.5879 5 S 4.8086 12.0000 114.1995 58.2209 64.4024 174.3537 6 S 4.3008 9.1343 120.2568 58.5165 59.2049 167.5682 7 V 4.4197 8.1692 123.6577 62.0242 33.6811 176.4090 8 K 4.3169 8.5658 123.7274 56.7328 34.0189 172.7231 9 K 3.6712 8.3946 117.2278 57.3727 30.4475 175.0500 10 M 4.6004 8.6592 128.8711 56.0066 30.8256 177.0559 11 C 3.8451 7.9495 121.7854 52.8838 44.9863 174.6142 12 D 4.7427 8.4658 117.4333 55.0405 39.6801 176.5808 13 N 4.5863 8.4963 116.1583 55.4643 41.9200 175.6971 14 C 3.8608 7.0637 115.0627 54.3435 31.8977 174.0320 15 K 4.3391 12.0000 124.4637 55.6410 34.1120 176.3579 16 V 4.1587 8.2563 121.0837 61.6294 32.3177 174.5814 17 V 4.4717 8.2020 127.3028 60.9711 34.9830 174.8073 18 R 5.1863 8.8113 122.8503 53.6341 31.3011 175.5490 19 R 4.4574 8.2954 119.8883 55.3767 30.6246 175.4653 20 H 3.8475 9.0763 121.6122 56.9806 25.3906 178.0450 21 G 4.5115 8.3447 107.8934 47.0623 0.0000 174.7517 22 R 3.9090 8.7116 118.3374 56.5877 30.6908 175.6669 23 V 5.1808 8.1244 118.8878 60.2122 33.1336 174.8777 24 L 4.7382 8.2852 126.7694 52.5478 44.4785 176.7326 25 V 3.9031 8.1035 124.1110 64.0149 32.0766 175.4532 26 I 4.7347 8.2082 125.5502 59.7316 41.6978 173.9996 27 C 4.9737 8.5304 124.5061 58.8176 33.9052 174.1690 28 S 4.4812 8.6246 122.0654 57.4273 62.1021 174.6168 29 N 4.8977 10.9700 117.3362 53.0814 42.4885 176.3259 30 V 3.6602 8.6915 123.2630 65.5013 31.9406 176.0324 31 K 4.9265 7.6295 118.9940 55.8989 31.9843 176.4120 32 H 4.8267 8.3382 113.1252 56.9909 36.4527 174.3983 33 K 4.3009 7.2895 121.8120 55.4944 31.7486 176.6034 34 Q 4.1585 10.7000 121.6055 56.4176 30.2370 175.6962 35 R 4.9225 8.3413 124.8081 55.3979 33.5832 174.4096 36 Q 5.0108 8.2638 120.7397 55.2174 29.4896 175.1987 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 K 8.17 4.25 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 V 7.79 3.29 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 1.00 0.00 0.00 0.93 0.00 0.00 4 R 7.99 3.14 0.00 2.00 1.88 0.00 3.11 0.00 0.00 3.22 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 5 S 12.00 4.81 0.00 4.00 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 6 S 9.13 4.30 0.00 4.08 4.34 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 7 V 8.17 4.42 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 0.89 0.00 0.00 1.02 0.00 0.00 8 K 8.57 4.32 0.00 1.72 1.69 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.50 7.81 9 K 8.39 3.67 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.43 7.81 10 M 8.66 4.60 0.00 2.26 1.74 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 11 C 7.95 3.85 0.00 3.10 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 12 D 8.47 4.74 0.00 2.68 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 13 N 8.50 4.59 0.00 2.56 2.73 0.00 0.00 6.98 7.26 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 14 C 7.06 3.86 0.00 2.96 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 15 K 12.00 4.34 0.00 1.77 1.73 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.37 7.81 16 V 8.26 4.16 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 0.93 0.00 0.00 17 V 8.20 4.47 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 0.96 0.00 0.00 0.93 0.00 0.00 18 R 8.81 5.19 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.93 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 19 R 8.30 4.46 0.00 1.97 1.95 0.00 3.13 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 20 H 9.08 3.85 0.00 3.43 3.48 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.34 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.71 3.91 0.00 2.27 1.90 0.00 3.06 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 23 V 8.12 5.18 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 1.06 0.00 0.00 1.00 0.00 0.00 24 L 8.29 4.74 0.00 1.51 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.10 3.90 2.07 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 0.76 0.00 0.00 0.60 0.00 0.00 26 I 8.21 4.73 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 1.12 0.92 0.91 0.00 0.00 27 C 8.53 4.97 0.00 2.92 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.48 0.00 4.02 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 29 N 10.97 4.90 0.00 3.12 2.86 0.00 0.00 6.69 7.56 0.00 0.00 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 V 8.69 3.66 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 0.99 0.00 0.00 0.93 0.00 0.00 31 K 7.63 4.93 0.00 1.62 1.65 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.35 7.81 32 H 8.34 4.83 0.00 3.40 3.25 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.29 4.30 0.00 1.64 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.59 7.81 34 Q 10.70 4.16 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 35 R 8.34 4.92 0.00 1.81 1.80 0.00 3.22 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 36 Q 8.26 5.01 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.02 0.00