NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.1404 8.1849 122.4908 54.8721 43.1485 176.2631 5 R 4.0918 8.4807 125.0362 54.0087 29.8128 170.6880 6 V 4.2039 8.8084 124.9780 60.7096 33.5045 175.8174 7 Q 4.1593 8.5900 126.8710 55.6161 30.5997 176.0243 8 P 4.3123 0.0000 0.0000 66.1556 31.1976 178.7136 9 E 3.9861 8.1525 116.7560 58.8830 29.4210 178.8883 10 A 3.9815 7.8772 121.2896 54.9539 18.6141 179.1415 11 Q 3.9038 8.5861 118.3430 59.2034 29.0622 178.3247 12 A 3.9966 7.9911 121.7723 55.1084 18.4570 179.5828 13 K 3.8809 7.8309 117.0323 59.6414 32.0616 179.7283 14 V 3.6477 7.5494 118.0839 66.2842 31.6257 177.5603 15 D 4.4159 8.3981 119.0046 57.5685 40.5651 179.3480 16 V 3.5731 7.8920 118.4335 65.8725 31.5072 177.7311 17 F 4.2061 8.0664 119.8515 61.6514 39.1938 177.4008 18 R 3.6144 8.4546 117.4455 58.4936 29.6223 179.0074 19 E 3.9540 7.7791 118.3637 59.2683 29.7358 178.3810 20 D 4.2910 8.0754 119.0518 57.5039 40.9199 178.8995 21 L 3.7832 7.7729 120.8327 58.0729 41.9307 178.6128 22 C 4.0291 7.5768 118.8404 62.5610 31.4794 175.5935 23 T 3.9407 8.0078 117.4753 66.7676 68.1358 176.5222 24 K 3.7953 8.3280 120.6054 60.1321 32.1869 179.5062 25 T 3.8296 7.9118 115.6688 66.3916 68.2772 176.8610 26 E 3.9499 8.2154 120.7896 59.2967 29.5406 179.1355 27 N 4.3125 8.1043 116.7403 55.9913 38.5297 177.2904 28 L 3.7776 7.7088 120.3569 57.7584 41.4697 179.5896 29 L 3.7788 7.1684 116.8094 57.7931 41.8084 179.8019 30 G 3.7782 7.9479 103.3513 46.7298 0.0000 173.4395 31 S 4.6790 8.0284 113.5084 59.1150 68.0568 175.2044 32 Y 4.0566 8.3557 120.3204 60.8074 38.5571 177.9190 33 F 4.5145 8.6481 118.6855 60.4980 38.9662 176.0450 34 P 4.3625 0.0000 0.0000 65.1217 31.0370 178.7134 35 K 3.8932 8.1185 118.6877 59.5583 32.2134 179.0274 36 K 3.8127 8.2651 119.1420 59.5569 31.7887 179.3872 37 I 3.7058 7.8693 120.0018 64.4409 37.0212 178.7283 38 S 4.1664 7.8197 116.0578 61.3597 62.6288 176.4842 39 E 3.9321 8.3098 121.3759 59.6025 29.2730 179.5426 40 L 4.1331 8.0803 118.9445 57.7764 41.4102 179.0627 41 D 4.3427 7.7692 117.3275 57.0746 41.5077 178.0154 42 A 4.1382 7.9399 121.3277 55.1098 18.5611 179.0455 43 F 4.5496 8.5030 119.5193 62.0111 39.1021 177.4749 44 L 3.8679 7.8001 117.2775 57.4241 41.5253 178.8419 45 K 4.2261 7.6692 115.2695 56.2861 32.5789 176.9294 46 E 4.3372 7.4725 121.2814 54.7898 30.7173 175.5045 47 P 4.2191 0.0000 0.0000 65.6331 31.7837 178.6536 48 A 4.0236 8.2638 119.9134 55.0694 18.2906 178.0266 49 L 4.6104 7.4677 113.4155 54.6215 41.8783 177.7768 50 N 4.9786 7.9819 116.8811 51.6784 40.1675 172.0685 51 E 4.6207 8.0539 118.3864 54.0909 32.5773 176.2332 52 A 3.9851 8.8476 127.1830 54.8397 18.7802 177.1048 53 N 4.7111 7.8970 116.0723 51.9866 38.8405 175.6440 54 L 4.3063 8.3588 123.0659 55.8340 42.0749 178.3231 55 S 4.5521 7.8946 114.2716 58.6229 62.8500 174.2722 56 N 4.7110 7.6005 119.0856 54.1114 39.3591 176.2262 57 L 4.0503 7.5298 118.8778 56.4992 42.4239 176.7583 58 K 3.7090 8.1045 119.0915 57.0621 32.2138 175.1947 59 A 4.7579 8.2742 128.9429 49.2848 21.0384 174.4666 60 P 4.3570 0.0000 0.0000 63.0389 31.7818 176.6852 61 L 4.4149 7.9808 122.2093 53.4121 42.3745 173.2557 62 D 4.6331 8.3206 121.8548 52.7483 41.1128 176.3193 63 I 4.1781 8.0791 126.6300 61.4897 37.9819 175.6298 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 4 L 8.18 4.14 0.00 1.60 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.48 4.09 0.00 1.91 1.89 0.00 3.23 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 6 V 8.81 4.20 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 0.83 0.00 0.00 0.93 0.00 0.00 7 Q 8.59 4.16 0.00 2.10 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 8 P 0.00 4.31 0.00 2.26 2.31 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 9 E 8.15 3.99 0.00 2.18 2.25 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 2.36 2.32 0.00 10 A 7.88 3.98 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 11 Q 8.59 3.90 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 12 A 7.99 4.00 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 13 K 7.83 3.88 0.00 1.94 1.89 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.56 7.81 14 V 7.55 3.65 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 1.19 0.00 0.00 0.99 0.00 0.00 15 D 8.40 4.42 0.00 2.88 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 16 V 7.89 3.57 2.33 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 1.11 0.00 0.00 1.00 0.00 0.00 17 F 8.07 4.21 0.00 3.16 3.28 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 18 R 8.45 3.61 0.00 1.85 1.91 0.00 3.25 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.04 0.00 19 E 7.78 3.95 0.00 2.14 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 2.29 2.61 0.00 20 D 8.08 4.29 0.00 2.72 2.67 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 21 L 7.77 3.78 0.00 1.16 1.26 0.75 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.58 4.03 0.00 2.99 2.97 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 23 T 8.01 3.94 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 K 8.33 3.80 0.00 1.78 1.76 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.58 7.81 25 T 7.91 3.83 4.27 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 1.11 0.00 0.00 26 E 8.22 3.95 0.00 1.95 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 2.28 2.61 0.00 27 N 8.10 4.31 0.00 2.84 2.83 0.00 0.00 6.96 6.88 0.00 0.00 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 7.71 3.78 0.00 1.67 0.98 0.58 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.17 3.78 0.00 1.53 1.64 0.84 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.95 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.03 4.68 0.00 3.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.36 4.06 0.00 3.12 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 33 F 8.65 4.51 0.00 3.15 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 34 P 0.00 4.36 0.00 2.20 2.14 0.00 3.79 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 35 K 8.12 3.89 0.00 1.86 1.98 0.00 1.30 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 36 K 8.27 3.81 0.00 1.86 1.75 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.52 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.89 1.29 7.81 37 I 7.87 3.71 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 0.91 0.00 0.00 38 S 7.82 4.17 0.00 3.95 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 39 E 8.31 3.93 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 40 L 8.08 4.13 0.00 1.71 1.76 0.92 0.95 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 41 D 7.77 4.34 0.00 2.83 2.82 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 0.00 0.00 0.00 42 A 7.94 4.14 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 0.00 0.00 0.00 0.00 0.00 43 F 8.50 4.55 0.00 3.01 3.22 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 0.00 44 L 7.80 3.87 0.00 1.83 1.65 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 4.23 0.00 1.79 1.86 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.69 7.81 46 E 7.47 4.34 0.00 2.43 1.99 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 2.37 2.34 0.00 47 P 0.00 4.22 0.00 2.24 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 48 A 8.26 4.02 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 49 L 7.47 4.61 0.00 1.60 1.49 -0.19 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 50 N 7.98 4.98 0.00 2.73 2.69 0.00 0.00 6.64 7.28 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 51 E 8.05 4.62 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 52 A 8.85 3.99 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 53 N 7.90 4.71 0.00 2.76 2.78 0.00 0.00 7.11 6.74 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 54 L 8.36 4.31 0.00 1.70 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.89 4.55 0.00 3.85 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.60 4.71 0.00 2.86 2.86 0.00 0.00 6.84 7.68 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 57 L 7.53 4.05 0.00 1.59 1.95 0.92 0.58 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 58 K 8.10 3.71 0.00 1.75 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.46 7.81 59 A 8.27 4.76 1.23 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 0.00 0.00 60 P 0.00 4.36 0.00 2.19 2.07 0.00 3.72 0.00 0.00 3.58 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 61 L 7.98 4.41 0.00 1.53 1.55 0.92 1.19 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 62 D 8.32 4.63 0.00 2.65 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 4.18 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 1.27 0.79 0.91 0.00 0.00