NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1312 8.3101 121.7884 55.8634 34.0090 175.6684 20 A 4.1975 7.6653 120.3025 50.1737 20.0086 173.6474 21 K 3.9688 8.8666 120.4843 57.7825 33.8366 176.6133 22 V 3.4438 8.4196 124.2505 65.8821 31.4870 177.9224 23 K 4.3769 8.0020 118.5852 58.5877 32.0299 176.7254 24 A 4.5247 8.0150 120.0457 52.7043 19.0425 177.3578 25 T 4.4005 8.1197 112.4518 63.3780 69.4783 173.9871 26 L 4.7908 7.3356 120.1201 52.5458 46.4018 177.5690 27 G 4.0408 7.7808 115.2862 45.7768 0.0000 175.3403 28 E 4.4518 8.6842 126.5962 55.0083 30.0662 175.4998 29 F 4.9533 9.5095 118.6404 54.9065 40.5720 174.8158 30 D 4.5946 8.6413 124.4351 53.2358 39.7562 176.7775 31 L 4.3640 7.7835 131.6943 55.6308 40.1471 178.0808 32 R 4.3859 8.5330 118.7171 56.7337 31.9564 174.4024 33 D 4.4691 7.3643 115.2895 53.8014 39.8858 175.3418 34 Y 4.4680 8.1313 125.1145 57.2901 38.0141 176.9948 35 R 4.4000 7.7415 120.2322 57.3983 33.4245 176.3560 36 N 4.6601 7.8815 117.6898 54.7736 35.3002 176.3608 37 V 3.0814 6.3352 111.4929 64.7982 33.2448 178.0597 38 E 4.0122 8.1225 118.5920 57.7546 29.9225 177.1970 39 V 4.3092 7.6480 116.5850 64.3724 34.2014 177.5009 40 L 4.2696 7.9035 116.8749 58.1980 41.4829 179.7684 41 K 4.1112 9.3058 117.7444 59.1163 32.1260 177.1125 42 R 4.3257 8.2000 117.2452 56.3765 30.2058 176.0117 43 F 4.7585 8.9446 114.8667 57.6129 40.8793 175.5156 44 L 5.3832 8.1304 122.5959 57.7913 41.2896 177.5830 45 S 3.8416 6.4354 116.3093 58.3320 67.7463 173.2790 46 E 4.5162 8.6454 117.7452 58.1521 31.4666 177.9268 47 T 4.6501 7.2487 113.7984 64.3834 68.6135 175.4467 48 G 4.1171 7.6313 106.6047 44.8410 0.0000 174.4222 49 K 4.2137 7.8761 120.1990 56.4808 33.5416 176.3349 50 I 4.4111 8.2454 123.7953 60.7783 37.4128 176.1770 51 L 4.2716 8.7417 128.0388 54.2980 42.4316 175.8139 52 P 4.6001 0.0000 0.0000 61.9184 32.4525 177.8394 53 R 4.5828 8.5174 118.6348 58.9575 30.0771 179.1951 54 R 4.0589 8.1016 115.2398 58.2923 30.2995 176.2653 55 R 4.5032 8.5937 115.2021 57.8127 32.6981 177.7633 56 T 3.9380 8.0969 107.5809 63.0843 68.5418 175.9885 57 G 4.0137 8.4102 107.9686 45.6080 0.0000 173.4037 58 L 4.7981 7.9792 118.7351 54.1936 42.9049 175.8625 59 S 4.6761 8.2153 113.4311 57.5004 64.9093 172.8959 60 A 4.0794 7.8445 119.5390 54.5003 17.8279 179.3416 61 K 3.7292 8.0264 115.2794 59.1621 32.5330 178.6893 62 E 3.8192 8.0353 118.5727 59.6779 29.3948 179.1851 63 Q 3.8507 8.0965 118.9220 59.3969 29.1068 178.2349 64 R 3.9243 7.7137 118.6305 59.7122 29.6960 179.0778 65 I 3.7186 7.7307 112.2432 63.6149 37.3148 178.0372 66 L 3.7147 7.5823 122.1403 57.9271 41.7810 178.3702 67 A 3.9313 8.2175 119.9044 56.1015 18.5773 179.0819 68 K 3.9181 8.2692 117.2035 58.5790 31.9604 179.3011 69 T 3.8517 7.8780 108.6556 65.7119 68.7837 176.0439 70 I 3.9000 8.0185 123.5044 63.8231 37.0576 178.4601 71 K 4.1723 8.5615 119.5431 59.2243 31.6985 179.3226 72 R 3.8500 8.2992 117.7845 59.1169 30.2801 178.2213 73 A 4.2390 8.1455 119.7960 55.6504 18.3137 179.2995 74 R 4.0551 7.5954 117.0687 59.0719 30.0005 179.2506 75 I 4.0374 7.6813 117.5453 64.2066 36.8382 177.6026 76 L 4.3918 8.0794 118.0208 54.2738 41.1417 178.2790 77 G 3.8820 8.3849 107.7469 46.0395 0.0000 175.3530 78 L 4.1640 7.4310 117.5459 55.5719 42.1370 176.7104 79 L 4.5778 7.1571 118.2881 52.6423 45.9483 173.1187 80 P 4.5647 0.0000 0.0000 62.3420 32.4448 176.2408 81 F 4.7135 8.3300 118.4109 60.0429 39.6741 175.8585 82 T 4.7160 7.5337 111.1029 61.7206 70.1174 172.1745 83 E 4.8423 8.9345 123.7752 54.7823 33.2401 174.7280 84 K 4.4259 8.6211 121.6785 56.1998 32.9351 176.8270 85 L 4.2004 8.4622 124.7966 54.8359 42.9009 176.1759 86 V 4.1889 7.8388 122.1834 61.7121 33.9319 171.9731 87 R 3.6851 8.6756 132.6758 55.9731 29.1044 175.7583 88 K 4.1620 8.5234 124.9722 56.4395 32.3317 175.6029 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 19 K 8.31 4.13 0.00 1.71 1.89 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.67 4.20 1.22 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 0.00 0.00 21 K 8.87 3.97 0.00 1.81 1.84 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.44 7.81 22 V 8.42 3.44 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 0.22 0.00 0.00 0.83 0.00 0.00 23 K 8.00 4.38 0.00 2.20 1.95 0.00 2.03 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.68 7.81 24 A 8.01 4.52 1.34 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 0.00 0.00 25 T 8.12 4.40 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 1.14 0.00 0.00 26 L 7.34 4.79 0.00 0.83 1.14 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.78 4.04 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 0.00 0.00 0.00 28 E 8.68 4.45 0.00 2.00 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 2.32 2.29 0.00 29 F 9.51 4.95 0.00 3.08 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 30 D 8.64 4.59 0.00 2.80 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 31 L 7.78 4.36 0.00 1.46 1.19 0.54 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.53 4.39 0.00 1.65 2.18 0.00 3.30 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 33 D 7.36 4.47 0.00 2.92 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.47 0.00 3.14 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 35 R 7.74 4.40 0.00 1.65 1.81 0.00 3.05 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 36 N 7.88 4.66 0.00 3.10 2.98 0.00 0.00 6.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 6.34 3.08 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 0.89 0.00 0.00 0.94 0.00 0.00 38 E 8.12 4.01 0.00 1.96 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 2.33 2.27 0.00 39 V 7.65 4.31 2.50 0.00 0.00 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 0.00 0.00 1.07 0.00 0.00 40 L 7.90 4.27 0.00 1.99 1.81 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.31 4.11 0.00 1.76 1.96 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.55 7.81 42 R 8.20 4.33 0.00 1.70 1.69 0.00 3.05 0.00 0.00 3.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 43 F 8.94 4.76 0.00 3.09 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 44 L 8.13 5.38 0.00 1.66 1.75 1.04 1.09 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 45 S 6.44 3.84 0.00 4.08 3.65 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 46 E 8.65 4.52 0.00 1.98 1.97 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 2.28 2.23 0.00 47 T 7.25 4.65 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 1.31 0.00 0.00 48 G 7.63 4.12 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 0.00 0.00 0.00 49 K 7.88 4.21 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.46 7.81 50 I 8.25 4.41 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.93 0.00 0.00 51 L 8.74 4.27 0.00 1.69 1.68 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.60 0.00 2.20 1.98 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 8.52 4.58 0.00 1.89 2.02 0.00 3.42 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.64 0.00 54 R 8.10 4.06 0.00 1.82 2.02 0.00 3.16 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 55 R 8.59 4.50 0.00 1.95 1.92 0.00 3.33 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 56 T 8.10 3.94 4.57 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 G 8.41 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.98 4.80 0.00 1.64 1.63 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.22 4.68 0.00 4.00 4.04 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 60 A 7.84 4.08 1.28 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 0.00 0.00 61 K 8.03 3.73 0.00 1.81 1.82 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 62 E 8.04 3.82 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 63 Q 8.10 3.85 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 64 R 7.71 3.92 0.00 2.07 1.96 0.00 3.16 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 65 I 7.73 3.72 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.69 0.87 0.00 0.00 66 L 7.58 3.71 0.00 1.49 1.74 0.28 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.22 3.93 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 68 K 8.27 3.92 0.00 1.84 1.74 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.47 7.81 69 T 7.88 3.85 4.31 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 1.37 0.00 0.00 70 I 8.02 3.90 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.34 0.95 0.00 0.00 71 K 8.56 4.17 0.00 1.94 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.72 7.81 72 R 8.30 3.85 0.00 1.88 1.88 0.00 3.09 0.00 0.00 2.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 73 A 8.15 4.24 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 74 R 7.60 4.06 0.00 2.08 1.71 0.00 3.41 0.00 0.00 3.83 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 75 I 7.68 4.04 2.04 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 1.76 0.83 0.96 0.00 0.00 76 L 8.08 4.39 0.00 1.88 1.71 0.96 0.86 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 77 G 8.38 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 0.00 0.00 0.00 78 L 7.43 4.16 0.00 1.74 1.73 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.16 4.58 0.00 1.57 1.44 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.56 0.00 2.17 2.01 0.00 3.73 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 1.97 1.98 0.00 81 F 8.33 4.71 0.00 3.11 3.02 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 82 T 7.53 4.72 4.31 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 1.30 0.00 0.00 83 E 8.93 4.84 0.00 2.00 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 2.32 2.45 0.00 84 K 8.62 4.43 0.00 1.67 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 85 L 8.46 4.20 0.00 1.59 1.57 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.84 4.19 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 0.87 0.00 0.00 0.94 0.00 0.00 87 R 8.68 3.69 0.00 1.98 1.95 0.00 3.25 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 88 K 8.52 4.16 0.00 1.72 1.63 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.34 7.81