NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.0890 8.3101 121.7866 55.5817 33.3603 174.2228 20 A 3.7297 8.5225 122.6820 52.1391 18.4340 175.7462 21 K 4.2307 8.6928 123.4600 55.7516 33.4578 176.4769 22 V 3.3626 7.9467 123.5273 65.8701 31.5428 177.8063 23 K 4.0408 8.2325 119.5660 59.5212 31.4799 176.9370 24 A 3.9416 7.4546 121.0891 54.7127 18.6439 178.8455 25 T 3.9443 7.4250 110.4449 64.6475 69.6622 174.1485 26 L 5.0455 8.9345 121.8679 52.9950 46.7484 177.1303 27 G 4.1905 8.3380 118.1677 45.5532 0.0000 176.6489 28 E 4.0568 8.7379 129.8819 54.7709 28.6409 175.0899 29 F 4.9905 7.2324 118.2649 54.7256 40.8093 175.6206 30 D 4.6581 8.4802 122.6324 52.5647 39.5359 176.7000 31 L 4.1689 8.5602 124.3942 57.2685 40.5288 178.4363 32 R 4.8130 7.8645 117.4315 55.5580 30.3917 176.0998 33 D 4.4952 7.6928 120.4166 52.5645 40.3101 176.2863 34 Y 4.2856 7.3927 128.2569 56.3586 37.9606 177.1210 35 R 4.6241 8.0950 118.7809 56.6352 33.6394 175.8614 36 N 4.6563 8.0525 115.9209 52.0895 35.9923 175.6012 37 V 2.9767 8.1134 117.4163 66.0523 31.9920 176.1217 38 E 3.9109 8.6787 119.4133 59.6006 30.2037 177.8685 39 V 3.6669 7.7607 116.2727 66.2735 31.8084 177.3060 40 L 3.8707 7.8007 117.7487 56.8179 41.6861 178.7791 41 K 3.9312 9.2445 118.5755 58.4902 32.2598 176.7523 42 R 4.7195 7.8527 117.2077 56.5173 30.6842 176.7260 43 F 4.7026 8.1315 113.9000 56.8806 41.7403 175.1029 44 L 5.1502 8.3602 121.6910 55.0076 41.1292 178.7500 45 S 3.7280 6.9225 116.4193 57.8177 67.1537 174.2647 46 E 4.7206 8.9143 119.2342 55.9529 31.3075 175.3635 47 T 5.1053 7.8833 106.7244 60.4720 70.2012 175.4091 48 G 4.1216 8.5237 111.3643 45.2665 0.0000 173.8033 49 K 3.9101 8.0226 119.0424 56.7246 33.1105 175.8323 50 I 3.9168 8.5901 126.7790 61.5714 37.2184 176.2161 51 L 4.3263 8.4788 127.6964 54.0528 42.4677 175.9665 52 P 4.6130 0.0000 0.0000 62.1080 32.6100 177.5952 53 R 4.4320 8.4339 117.0928 59.0113 30.0357 179.1013 54 R 4.1299 7.9559 114.0403 57.9385 30.3018 177.0890 55 R 4.6604 8.2566 114.5988 55.8643 34.2896 176.3641 56 T 4.0221 8.2334 107.7211 62.4093 70.2708 176.4040 57 G 3.7201 8.5916 108.7595 45.0867 0.0000 173.0787 58 L 4.6686 7.6433 119.2188 53.6275 43.7634 176.6193 59 S 4.7848 8.9143 115.2450 58.2976 66.6270 172.9019 60 A 4.0948 8.1555 120.1093 54.2756 18.0018 179.0918 61 K 3.8142 8.3185 119.7398 58.9904 32.5824 177.8957 62 E 4.2508 8.1868 118.5610 58.4294 29.7842 177.8744 63 Q 3.9870 8.4690 119.4242 60.5155 29.1491 178.7907 64 R 4.1026 8.3016 119.0953 57.6087 29.3268 178.1703 65 I 3.7384 7.5752 122.1137 64.7946 37.6220 177.8035 66 L 3.9076 8.3472 121.7833 57.6161 41.8958 178.2637 67 A 3.9443 8.1744 120.4300 55.3147 18.5339 179.2260 68 K 3.8983 7.9139 117.7901 60.4167 32.2138 178.7815 69 T 3.9985 7.6398 114.6125 66.4576 68.1233 176.8881 70 I 3.6247 7.9536 121.4045 64.2528 37.4327 178.2653 71 K 4.0886 8.8156 119.6608 59.5851 31.9200 179.2338 72 R 3.7950 7.7344 117.6314 59.6554 30.0885 178.8708 73 A 4.0632 7.9486 119.6624 55.1159 17.7852 179.9187 74 R 4.2826 8.1947 118.5840 58.8793 29.8025 179.2288 75 I 3.9235 7.3647 118.4068 63.5478 37.3088 176.3017 76 L 4.4193 7.6978 119.0768 54.7239 41.8969 178.3449 77 G 3.9251 7.6280 104.5214 46.3577 0.0000 175.8070 78 L 4.0354 7.3742 119.6131 56.8487 42.3845 176.8285 79 L 4.2559 7.9894 118.5007 53.0040 42.6812 175.6784 80 P 4.6422 0.0000 0.0000 62.7366 32.2158 175.5084 81 F 4.9730 9.6133 114.5970 56.3323 41.1370 175.6423 82 T 5.3522 7.3668 119.7535 61.9290 69.0146 171.7802 83 E 4.4777 8.0090 122.0357 55.3352 31.8420 172.8436 84 K 3.5719 8.3352 120.3736 56.4234 30.1737 174.5446 85 L 3.9570 8.4216 124.5778 55.2768 42.3980 176.8642 86 V 3.7700 8.0653 122.9413 62.0461 32.5228 172.9885 87 R 3.6187 8.5740 125.8964 56.0536 29.2445 175.5783 88 K 4.1555 8.3698 124.5774 56.6201 32.5522 175.5959 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 4.09 0.00 1.70 1.81 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.49 7.81 20 A 8.52 3.73 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.69 4.23 0.00 1.78 1.72 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.36 7.81 22 V 7.95 3.36 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 -0.21 0.00 0.00 0.71 0.00 0.00 23 K 8.23 4.04 0.00 1.90 1.92 0.00 2.02 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.52 7.81 24 A 7.45 3.94 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 25 T 7.42 3.94 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 1.21 0.00 0.00 26 L 8.93 5.05 0.00 2.01 1.97 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.34 4.19 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 0.00 0.00 0.00 28 E 8.74 4.06 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 29 F 7.23 4.99 0.00 3.02 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 30 D 8.48 4.66 0.00 2.79 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 8.56 4.17 0.00 1.83 2.06 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.86 4.81 0.00 1.93 1.99 0.00 3.25 0.00 0.00 3.94 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 33 D 7.69 4.50 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.29 0.00 3.03 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 8.09 4.62 0.00 1.53 1.84 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 36 N 8.05 4.66 0.00 2.73 2.70 0.00 0.00 6.42 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 37 V 8.11 2.98 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 1.01 0.00 0.00 0.91 0.00 0.00 38 E 8.68 3.91 0.00 1.97 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 2.30 2.46 0.00 39 V 7.76 3.67 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 0.59 0.00 0.00 0.90 0.00 0.00 40 L 7.80 3.87 0.00 1.63 1.48 0.87 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.24 3.93 0.00 1.80 1.93 0.00 1.77 0.00 0.00 2.08 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.51 7.81 42 R 7.85 4.72 0.00 2.06 1.84 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 43 F 8.13 4.70 0.00 3.05 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 44 L 8.36 5.15 0.00 1.64 1.65 0.98 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.92 3.73 0.00 4.06 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 46 E 8.91 4.72 0.00 1.92 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 2.20 2.21 0.00 47 T 7.88 5.11 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 48 G 8.52 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 8.02 3.91 0.00 1.75 1.82 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.51 7.81 50 I 8.59 3.92 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.95 0.00 0.00 51 L 8.48 4.33 0.00 1.72 1.63 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.61 0.00 2.23 2.20 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 53 R 8.43 4.43 0.00 1.92 2.18 0.00 3.44 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.65 0.00 54 R 7.96 4.13 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 55 R 8.26 4.66 0.00 1.79 1.84 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 56 T 8.23 4.02 4.28 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 1.35 0.00 0.00 57 G 8.59 3.72 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 0.00 0.00 0.00 58 L 7.64 4.67 0.00 1.73 1.79 1.20 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.91 4.78 0.00 4.02 4.05 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 60 A 8.16 4.09 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 61 K 8.32 3.81 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.58 7.81 62 E 8.19 4.25 0.00 2.18 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 2.41 2.39 0.00 63 Q 8.47 3.99 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 64 R 8.30 4.10 0.00 1.95 1.81 0.00 3.22 0.00 0.00 3.18 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 65 I 7.58 3.74 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.93 0.00 0.00 66 L 8.35 3.91 0.00 1.76 1.80 0.32 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.17 3.94 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 68 K 7.91 3.90 0.00 1.90 2.01 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.58 7.81 69 T 7.64 4.00 4.41 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 1.25 0.00 0.00 70 I 7.95 3.62 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.86 0.00 0.00 71 K 8.82 4.09 0.00 1.96 1.89 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.62 7.81 72 R 7.73 3.80 0.00 2.08 1.83 0.00 3.15 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 73 A 7.95 4.06 1.35 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 0.00 0.00 0.00 74 R 8.19 4.28 0.00 1.49 1.10 0.00 3.14 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 75 I 7.36 3.92 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.66 0.92 0.00 0.00 76 L 7.70 4.42 0.00 1.64 1.65 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.63 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 78 L 7.37 4.04 0.00 1.82 1.63 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.99 4.26 0.00 1.57 1.44 0.90 0.83 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 80 P 0.00 4.64 0.00 2.26 2.06 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 81 F 9.61 4.97 0.00 3.06 2.99 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 82 T 7.37 5.35 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 1.27 0.00 0.00 83 E 8.01 4.48 0.00 2.11 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 2.27 2.28 0.00 84 K 8.34 3.57 0.00 1.90 1.87 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.36 7.81 85 L 8.42 3.96 0.00 1.69 1.60 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.07 3.77 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 0.93 0.00 0.00 87 R 8.57 3.62 0.00 1.95 1.90 0.00 3.23 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 88 K 8.37 4.16 0.00 1.69 1.58 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.35 7.81