NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2989 8.2649 123.5826 50.9597 19.6115 178.5438 2 K 3.6087 9.2385 111.8160 54.6443 29.6889 170.9365 3 T 4.1872 7.4774 116.6216 62.2802 73.5403 172.9222 4 I 3.9389 7.7899 121.5455 61.2992 38.1219 173.0891 5 K 3.9130 8.7561 131.0540 56.1252 28.3260 173.7202 6 I 4.7453 9.2517 116.2413 58.8996 40.5791 174.4492 7 T 4.8773 8.0278 115.3902 59.4832 71.1200 173.7219 8 Q 3.9312 8.8122 126.8353 58.4228 30.2343 176.7215 9 T 3.9424 8.9875 120.3754 62.5340 67.6469 175.9431 10 R 4.3983 5.8400 119.5409 56.0501 33.1136 171.5817 11 S 4.4848 8.0475 114.0227 57.1964 67.0628 176.2584 12 A 4.5678 8.4872 135.0000 52.2536 17.3370 178.2212 13 I 4.3727 8.3423 120.5428 62.0701 37.8181 174.8805 14 G 4.2132 8.3302 112.5355 46.5148 0.0000 174.1452 15 R 4.2115 7.7204 117.9310 55.9883 30.7913 173.8165 16 L 4.5932 8.1146 115.1685 55.0860 44.3840 176.1168 17 P 4.7873 0.0000 0.0000 63.1160 32.8860 176.8661 18 K 4.0735 7.9461 117.9584 58.9933 31.7972 178.5027 19 H 4.2818 8.0851 116.8256 58.9854 28.7700 177.6619 20 K 4.0120 7.7889 118.8051 58.7507 31.6229 178.6296 21 A 4.3841 7.6670 119.5235 51.7232 19.0808 177.5995 22 T 4.5169 7.8463 103.2007 61.7458 68.6767 175.8197 23 L 4.7644 9.4046 120.0011 57.1016 42.5180 179.6108 24 L 4.0389 8.1974 116.7860 56.6227 41.1342 177.4442 25 G 4.0784 7.0510 106.6918 45.7212 0.0000 175.2849 26 L 3.8034 8.0845 123.2423 55.5484 42.7338 178.4944 27 G 3.9919 7.8370 105.2863 46.3485 0.0000 173.4046 28 L 4.8807 7.8757 117.1478 52.7547 45.1344 176.8681 29 R 4.8059 8.4284 120.8994 55.3302 33.6484 173.2231 30 R 4.1074 8.7882 124.9347 55.2236 29.9351 176.1312 31 I 3.9948 7.9204 113.8740 61.7748 38.3433 177.3010 32 G 3.9296 8.1850 109.7824 46.4062 0.0000 173.0839 33 H 4.1021 8.1746 120.1458 57.2313 30.5751 174.3950 34 T 4.7731 8.4882 120.5461 61.2177 68.8914 173.9150 35 V 4.4389 9.0120 126.5463 61.2113 35.2669 174.1531 36 E 4.7606 8.8568 126.2234 54.9095 29.2065 175.3016 37 R 4.3926 7.9792 129.5076 55.3108 32.8402 174.5333 38 E 4.1254 8.6822 121.0438 56.7225 29.8201 176.7563 39 D 4.7850 8.2477 117.1165 53.2563 40.2997 176.7068 40 T 3.9965 7.5422 115.1914 61.5945 68.2969 172.4936 41 P 4.1721 0.0000 0.0000 66.6281 31.7458 179.4850 42 A 3.8815 7.7158 120.2061 54.9864 19.2836 179.6697 43 I 3.7303 7.5710 117.0231 64.0640 37.1129 178.4610 44 R 4.0083 8.7479 117.8638 59.6163 28.6206 178.7147 45 G 3.8354 7.4640 104.7985 48.1972 0.0000 175.1934 46 M 4.2475 8.2355 120.5594 58.3545 32.0586 178.9257 47 I 3.8733 7.7166 119.2288 63.8784 37.2347 177.7867 48 N 4.2952 8.0627 117.8152 56.5496 38.6351 176.2184 49 A 4.3663 7.4853 117.9272 53.4878 18.5913 177.8940 50 V 4.5203 7.7997 111.0127 60.9353 34.0457 177.7377 51 S 3.6602 8.3542 108.4932 62.6322 61.7040 175.5083 52 F 4.0409 5.7971 126.3853 60.7291 39.8788 175.3946 53 M 4.0193 7.0600 120.2659 58.4677 32.0333 178.4830 54 V 4.0063 8.5183 119.6827 60.8291 33.6583 175.2623 55 K 4.6519 8.0100 118.6217 54.7121 34.9905 177.7746 56 V 4.3166 8.0121 119.4433 60.2030 35.0203 178.9796 57 E 3.6022 8.8032 117.5080 57.0571 28.4558 173.9584 58 E 4.2266 9.3334 126.1506 56.8840 29.7858 174.1994 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 A 8.26 4.30 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 2 K 9.24 3.61 0.00 1.93 1.81 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.49 7.81 3 T 7.48 4.19 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 1.31 0.00 0.00 4 I 7.79 3.94 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 1.42 1.89 0.91 0.00 0.00 5 K 8.76 3.91 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.41 7.81 6 I 9.25 4.75 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.20 0.95 0.00 0.00 7 T 8.03 4.88 4.42 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 1.19 0.00 0.00 8 Q 8.81 3.93 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 9 T 8.99 3.94 4.15 0.00 0.00 0.00 0.00 0.00 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 10 R 5.84 4.40 0.00 1.72 1.75 0.00 3.38 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.44 0.00 11 S 8.05 4.48 0.00 3.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.57 1.16 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 0.00 0.00 13 I 8.34 4.37 1.90 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 1.35 0.89 0.99 0.00 0.00 14 G 8.33 4.21 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 0.00 15 R 7.72 4.21 0.00 1.57 1.84 0.00 3.32 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 16 L 8.11 4.59 0.00 1.53 1.58 0.90 0.91 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 17 P 0.00 4.79 0.00 2.23 2.25 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 18 K 7.95 4.07 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.52 7.81 19 H 8.09 4.28 0.00 3.18 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.79 4.01 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 21 A 7.67 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 4.52 4.25 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 1.28 0.00 0.00 23 L 9.40 4.76 0.00 1.70 1.88 0.86 0.90 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 24 L 8.20 4.04 0.00 1.63 1.73 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.05 4.08 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 0.00 0.00 0.00 26 L 8.08 3.80 0.00 1.79 1.76 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.84 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 4.88 0.00 1.73 1.54 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.43 4.81 0.00 1.69 1.76 0.00 3.30 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 30 R 8.79 4.11 0.00 1.97 1.97 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 31 I 7.92 3.99 2.03 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 1.34 1.29 0.91 0.00 0.00 32 G 8.19 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 33 H 8.17 4.10 0.00 3.32 3.34 0.00 5.60 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.49 4.77 4.23 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 1.22 0.00 0.00 35 V 9.01 4.44 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 0.91 0.00 0.00 0.77 0.00 0.00 36 E 8.86 4.76 0.00 1.98 1.94 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 2.17 2.27 0.00 37 R 7.98 4.39 0.00 1.95 1.85 0.00 3.22 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 38 E 8.68 4.13 0.00 1.99 1.90 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 2.31 2.30 0.00 39 D 8.25 4.79 0.00 2.76 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 40 T 7.54 4.00 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 41 P 0.00 4.17 0.00 2.21 2.10 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 42 A 7.72 3.88 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 43 I 7.57 3.73 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 1.58 0.95 0.91 0.00 0.00 44 R 8.75 4.01 0.00 2.03 2.39 0.00 2.85 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 45 G 7.46 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.24 4.25 0.00 2.08 2.25 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 2.62 2.68 0.00 47 I 7.72 3.87 1.88 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 1.52 0.59 0.92 0.00 0.00 48 N 8.06 4.30 0.00 2.79 2.91 0.00 0.00 6.93 8.07 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 49 A 7.49 4.37 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 4.52 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 0.82 0.00 0.00 0.98 0.00 0.00 51 S 8.35 3.66 0.00 4.03 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 52 F 5.80 4.04 0.00 2.93 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 53 M 7.06 4.02 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 54 V 8.52 4.01 2.06 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 0.71 0.00 0.00 0.92 0.00 0.00 55 K 8.01 4.65 0.00 2.08 1.63 0.00 1.54 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.21 1.24 7.81 56 V 8.01 4.32 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 0.97 0.00 0.00 57 E 8.80 3.60 0.00 2.09 1.69 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 2.20 2.20 0.00 58 E 9.33 4.23 0.00 1.88 1.79 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 2.19 2.33 0.00