NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 52 E 4.1692 8.4449 118.7968 55.6164 30.7015 176.6487 53 D 4.1950 8.8413 109.3685 54.6535 37.3235 169.7786 54 E 4.5968 8.1774 119.0663 54.9335 34.7806 174.2676 55 P 3.9018 0.0000 0.0000 63.9409 30.5977 174.4328 56 T 4.7607 8.0923 109.9373 63.3301 73.9793 174.7025 57 I 4.0277 9.0131 118.4014 59.5819 38.7275 174.9850 58 G 3.6685 9.5760 108.7241 43.9725 0.0000 170.6741 59 D 4.6001 8.5456 126.6088 54.0082 40.7208 177.0780 60 L 4.3446 9.1432 120.9769 55.5539 42.0145 176.9105 61 N 4.9201 8.4329 116.4264 53.2788 38.9454 176.2406 62 A 4.1659 8.0741 123.6402 54.5333 19.4071 179.0730 63 F 3.9845 8.3286 118.2849 62.0403 39.3081 177.2972 64 H 4.0509 8.1694 114.3465 58.9187 28.6102 177.8723 65 S 4.2821 7.9361 115.5149 61.2219 62.3974 176.6385 66 G 3.4107 8.2317 110.0602 47.4128 0.0000 175.5745 67 E 3.8681 8.2144 121.7867 58.5638 29.5719 178.4687 68 E 4.2010 8.4781 120.0886 57.1903 29.5111 178.5586 69 L 3.8862 7.9178 118.9172 58.5768 42.1429 179.7972 70 H 4.2130 8.1891 115.8810 59.0490 28.9119 177.9013 71 R 3.9167 7.7757 120.0330 59.2748 29.6480 178.5630 72 Q 3.9749 8.4793 118.4058 59.1932 28.7929 178.9633 73 R 4.0670 7.9740 118.4731 58.6868 30.2280 178.9795 74 S 4.0906 8.1795 113.5194 61.2840 62.3417 176.1079 75 E 3.9560 8.0987 120.9419 59.2472 29.3520 178.8692 76 L 3.9327 7.7198 119.8836 58.2664 42.0650 178.7838 77 A 4.1881 8.5994 120.0997 54.2818 18.1652 179.3458 78 R 3.9439 7.6660 116.2928 59.3196 30.3148 177.7693 79 A 4.1127 7.9781 120.9850 54.3397 18.5115 179.0382 80 N 4.1281 8.2769 113.1491 56.7669 38.6740 177.0845 81 Y 4.0547 7.6199 119.3402 60.4398 39.0000 176.9071 82 E 4.0811 8.3915 118.8119 58.3618 30.1306 177.4346 83 K 4.0942 8.0360 120.2293 58.9764 32.0553 176.8793 84 A 4.1175 7.5055 116.1801 52.5109 18.5936 178.6954 85 R 3.3857 7.5746 121.3625 59.8310 30.0102 176.9831 86 P 4.1823 0.0000 0.0000 65.7718 31.4200 177.7676 87 E 3.8869 8.1123 118.6467 59.5974 29.3189 177.8297 88 M 4.0169 8.5288 119.1136 58.1313 32.2697 177.8956 89 I 3.7305 8.2404 113.5581 63.9216 37.5586 177.4607 90 A 4.1428 8.0649 123.5364 54.6758 18.4190 178.9220 91 N 4.1534 8.2988 114.4206 55.9543 38.7483 177.1310 92 Q 4.0971 7.8045 120.5711 58.5702 29.3998 177.2941 93 R 3.8788 8.3112 118.7702 59.6427 30.2639 177.6927 94 A 4.2069 8.2085 120.1912 55.0022 17.6764 179.7833 95 V 3.8222 7.4393 115.5856 66.0153 31.3656 177.6392 96 T 4.1695 8.4162 111.2999 63.3760 67.5677 174.9603 97 A 4.7432 7.6903 120.4990 53.1177 20.5548 177.4395 98 H 4.4155 8.5584 117.9995 58.7057 29.7046 176.8564 99 L 4.1531 7.5504 118.1296 57.1372 41.4440 178.8189 100 F 4.4018 8.4172 121.1621 61.4172 39.0629 176.8938 101 N 3.8772 8.2458 115.5604 54.9949 36.9094 176.4258 102 R 3.9768 7.5325 121.0457 58.8237 30.2277 177.3936 103 Y 4.1685 8.1049 120.2004 60.7305 38.9124 177.1958 104 T 3.2185 7.3460 116.1978 66.6735 68.0168 176.2108 105 E 4.1040 7.7067 118.2185 58.5855 29.4188 177.4629 106 D 4.4435 7.1887 116.2151 54.3519 41.4069 176.2838 107 E 4.4545 7.6897 117.8617 57.0936 30.8821 177.0352 108 E 3.7341 8.4146 119.7893 59.1151 29.6124 178.4620 109 R 3.8842 7.3497 118.8513 59.4945 30.0310 179.0107 110 K 3.9208 7.3074 115.8084 59.1257 31.9960 178.9460 111 R 4.2251 7.8503 117.8301 58.6139 30.5342 178.8350 112 V 3.9441 7.6766 110.9945 63.0615 32.5120 176.4603 113 E 4.3947 7.8944 118.1300 54.6867 28.3920 176.1906 114 Q 4.1557 7.9967 124.8484 57.1040 29.7349 174.3955 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 52 E 8.44 4.17 0.00 2.09 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 2.17 2.34 0.00 53 D 8.84 4.20 0.00 2.93 2.77 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 54 E 8.18 4.60 0.00 1.89 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 2.24 0.00 55 P 0.00 3.90 0.00 2.13 2.00 0.00 3.66 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 1.94 2.07 0.00 56 T 8.09 4.76 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 1.20 0.00 0.00 57 I 9.01 4.03 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 1.34 0.87 0.89 0.00 0.00 58 G 9.58 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 0.00 0.00 0.00 59 D 8.55 4.60 0.00 2.70 2.65 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 60 L 9.14 4.34 0.00 1.75 1.79 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.43 4.92 0.00 2.91 2.85 0.00 0.00 6.79 8.23 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 62 A 8.07 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 3.98 0.00 3.12 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 64 H 8.17 4.05 0.00 3.44 3.36 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.94 4.28 0.00 4.07 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 3.87 0.00 1.63 1.84 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 1.59 1.85 0.00 68 E 8.48 4.20 0.00 2.15 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 69 L 7.92 3.89 0.00 1.68 1.70 1.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.19 4.21 0.00 3.10 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.78 3.92 0.00 1.95 2.02 0.00 3.09 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 72 Q 8.48 3.97 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 73 R 7.97 4.07 0.00 1.85 1.97 0.00 3.29 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 74 S 8.18 4.09 0.00 3.88 4.02 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 75 E 8.10 3.96 0.00 2.06 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 2.33 2.46 0.00 76 L 7.72 3.93 0.00 1.65 1.92 0.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.60 4.19 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 78 R 7.67 3.94 0.00 2.07 2.14 0.00 3.33 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 79 A 7.98 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.28 4.13 0.00 2.82 2.95 0.00 0.00 6.81 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 81 Y 7.62 4.05 0.00 2.88 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 82 E 8.39 4.08 0.00 2.12 2.10 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 0.00 2.33 2.35 0.00 83 K 8.04 4.09 0.00 1.86 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.58 7.81 84 A 7.51 4.12 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 85 R 7.57 3.39 0.00 1.78 1.82 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.37 0.00 86 P 0.00 4.18 0.00 2.26 2.25 0.00 3.81 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 87 E 8.11 3.89 0.00 2.01 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 2.35 2.35 0.00 88 M 8.53 4.02 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 89 I 8.24 3.73 1.85 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 1.61 0.67 0.92 0.00 0.00 90 A 8.06 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.30 4.15 0.00 2.80 2.92 0.00 0.00 6.76 7.76 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 92 Q 7.80 4.10 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 93 R 8.31 3.88 0.00 2.06 2.05 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 94 A 8.21 4.21 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.44 3.82 2.19 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 1.02 0.00 0.00 0.98 0.00 0.00 96 T 8.42 4.17 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 1.26 0.00 0.00 97 A 7.69 4.74 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 98 H 8.56 4.42 0.00 3.10 3.61 0.00 5.79 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.55 4.15 0.00 1.73 1.73 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 F 8.42 4.40 0.00 3.14 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 0.00 101 N 8.25 3.88 0.00 2.88 3.11 0.00 0.00 5.73 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 0.00 102 R 7.53 3.98 0.00 2.01 2.08 0.00 3.25 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 103 Y 8.10 4.17 0.00 2.97 3.05 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 0.00 104 T 7.35 3.22 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 0.93 0.00 0.00 105 E 7.71 4.10 0.00 2.14 2.11 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 2.43 2.25 0.00 106 D 7.19 4.44 0.00 2.81 2.90 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 0.00 107 E 7.69 4.45 0.00 1.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.04 0.00 108 E 8.41 3.73 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 109 R 7.35 3.88 0.00 2.08 1.96 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 110 K 7.31 3.92 0.00 1.65 1.88 0.00 1.97 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.49 7.81 111 R 7.85 4.23 0.00 2.03 1.94 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 112 V 7.68 3.94 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 0.84 0.00 0.00 0.95 0.00 0.00 113 E 7.89 4.39 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 2.48 2.26 0.00 114 Q 8.00 4.16 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00