NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2448 0.0000 0.0000 61.2020 33.3509 174.9928 17 S 3.4864 8.1530 115.1341 58.3807 59.9067 169.9167 18 R 4.8998 8.5175 129.4357 54.9820 33.2283 174.2211 19 K 4.5523 7.4566 123.6663 56.4952 32.6552 179.5054 20 A 4.7875 8.7244 132.4206 51.1342 21.6914 175.6621 21 K 4.7996 8.0380 117.5000 54.3815 34.5446 178.0983 22 V 3.4040 7.7982 122.7728 65.0690 31.6898 176.9614 23 K 4.3571 8.0439 118.7687 58.9113 32.8222 177.1409 24 A 4.1609 7.8068 120.5492 55.8644 18.4761 179.2721 25 T 4.1989 7.5574 113.5867 60.2051 66.4774 173.6535 26 L 4.8581 6.7437 127.6179 54.8137 45.4027 174.8947 27 G 4.2384 7.7454 110.4621 45.6988 0.0000 175.3376 28 E 4.4051 8.8489 122.5363 55.2917 30.6575 175.3479 29 F 4.6657 7.5521 113.2481 56.2168 40.1829 173.4885 30 D 4.5757 8.5685 122.3356 53.0091 40.3403 176.8649 31 L 4.1809 8.4261 127.9195 57.5930 41.7719 178.7333 32 R 4.2363 7.9564 115.9107 56.6099 30.4103 175.4355 33 D 4.4550 8.1224 117.6221 54.5803 40.2622 175.0596 34 Y 4.5291 8.4697 124.2329 57.5173 38.5646 176.1713 35 R 4.2660 7.1730 118.5994 57.1678 32.4354 177.1329 36 N 4.6549 7.6274 117.3803 52.7360 34.6306 175.0587 37 V 3.5562 7.6209 124.3296 66.4495 31.7833 176.2268 38 E 3.9002 8.2083 116.7097 59.8901 29.2778 179.4595 39 V 3.7443 7.6241 117.6896 63.9817 31.8906 178.1317 40 L 4.1790 8.0349 119.9969 57.6041 41.3872 179.1047 41 K 3.8065 8.2444 118.7704 60.0541 31.8695 179.1831 42 R 3.5891 7.1078 114.9658 59.0529 30.1636 177.3004 43 F 4.5858 8.2469 115.9322 57.3363 39.0871 175.0216 44 L 5.1321 8.1186 121.6894 52.7377 43.6567 176.7927 45 S 4.5039 8.6355 116.3788 57.5564 64.2849 174.6885 46 E 4.0724 8.7167 118.8927 58.7435 29.4352 177.2354 47 T 4.7031 7.5331 115.5505 61.1159 71.7447 175.1192 48 G 3.8623 8.8948 110.8094 47.0526 0.0000 173.7148 49 K 4.2324 8.5972 120.8847 55.8951 33.3378 176.5939 50 I 4.1501 8.3132 125.5083 61.1621 37.3644 176.1568 51 L 4.2533 8.5348 127.7069 54.2962 42.5288 175.6901 52 P 4.5071 0.0000 0.0000 61.9684 32.2747 177.7428 53 R 4.5537 8.5745 120.8276 58.7945 30.2377 178.6246 54 R 3.9856 8.1603 115.9215 58.8341 30.1040 177.0564 55 R 4.6161 8.7271 113.6436 55.8292 32.0274 176.5456 56 T 4.3850 7.9190 107.9656 61.0262 69.5723 177.2426 57 G 4.0974 8.0186 109.3853 46.4202 0.0000 174.7744 58 L 4.3376 7.6138 118.4401 54.7121 41.8219 176.5285 59 S 4.9236 7.7417 113.1277 56.2584 67.3816 174.8112 60 G 4.2766 8.5783 108.8111 48.1560 0.0000 175.7674 61 K 3.9272 7.9426 121.9648 58.9160 32.3751 178.5911 62 E 3.8678 8.1118 118.7312 59.6319 29.5821 178.9468 63 Q 3.8671 8.9338 120.6845 59.4001 28.9832 178.8801 64 R 3.8721 7.7518 119.1045 59.4533 30.1306 178.6323 65 I 3.8279 7.4665 119.6197 64.0272 37.0723 177.8302 66 L 3.7878 8.0801 121.1158 58.1990 41.7384 178.6720 67 A 3.9181 7.7559 120.1643 55.4868 18.0835 179.4940 68 K 3.9884 7.4530 114.8607 59.2400 32.4232 179.1300 69 T 4.0388 7.9434 116.3825 66.6890 68.4063 176.5181 70 I 3.6959 8.1494 122.0526 64.7128 36.6899 178.6217 71 K 3.8513 7.8493 118.6082 59.1871 31.8598 179.7713 72 R 3.8581 8.1791 118.7633 58.9792 30.0665 178.6574 73 A 4.0869 7.9734 120.0402 55.2862 18.3593 179.3641 74 R 4.3526 7.8744 118.0500 59.0089 29.8591 179.3136 75 I 3.9354 7.1781 117.0393 64.3193 37.2067 177.9440 76 L 4.3293 7.6642 117.1942 55.1188 41.5457 177.7139 77 G 3.9699 8.0922 107.2983 46.3016 0.0000 174.7709 78 L 4.2901 8.0535 121.6977 55.6079 42.4905 177.2948 79 L 4.7934 7.4377 116.8827 51.8285 44.7037 174.1899 80 P 4.9015 0.0000 0.0000 62.6594 32.4002 175.8731 81 F 4.4311 8.6394 116.1818 58.9707 40.2314 176.4829 82 T 4.5671 7.5690 111.4088 61.0345 69.8160 171.7700 83 E 4.7931 8.5470 125.7183 54.3716 33.0441 175.2094 84 K 4.4037 8.2702 119.4347 54.7791 33.3193 176.5328 85 L 4.0375 8.4414 126.2685 54.7891 42.3900 176.6549 86 V 4.1032 8.1447 125.9135 62.4302 33.9184 176.5464 87 R 3.8503 8.3780 118.0441 58.5556 26.8443 176.6318 88 K 4.1840 8.7272 123.1592 57.8052 32.8197 176.3759 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 16 P 0.00 4.24 0.00 2.20 2.24 0.00 3.88 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 1.89 1.96 0.00 17 S 8.15 3.49 0.00 4.10 3.92 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 18 R 8.52 4.90 0.00 1.78 1.82 0.00 3.37 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 19 K 7.46 4.55 0.00 1.66 0.84 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 20 A 8.72 4.79 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.80 0.00 1.87 1.74 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.65 7.81 22 V 7.80 3.40 1.80 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 -0.78 0.00 0.00 0.88 0.00 0.00 23 K 8.04 4.36 0.00 2.14 1.93 0.00 1.96 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.68 7.81 24 A 7.81 4.16 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 7.56 4.20 4.17 0.00 0.00 0.00 0.00 0.00 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 26 L 6.74 4.86 0.00 1.60 1.88 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.75 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 0.00 0.00 0.00 0.00 28 E 8.85 4.41 0.00 2.06 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 2.33 0.00 29 F 7.55 4.67 0.00 3.15 3.07 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 0.00 0.00 0.00 0.00 30 D 8.57 4.58 0.00 2.81 2.68 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 0.00 0.00 0.00 0.00 31 L 8.43 4.18 0.00 1.65 1.75 0.83 1.08 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 32 R 7.96 4.24 0.00 1.80 2.15 0.00 3.09 0.00 0.00 2.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 33 D 8.12 4.46 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 4.53 0.00 3.12 3.01 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 35 R 7.17 4.27 0.00 1.52 1.85 0.00 3.08 0.00 0.00 3.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.00 36 N 7.63 4.65 0.00 3.06 2.74 0.00 0.00 6.61 7.59 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 37 V 7.62 3.56 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 1.12 0.00 0.00 0.97 0.00 0.00 38 E 8.21 3.90 0.00 1.94 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 2.31 2.33 0.00 39 V 7.62 3.74 2.04 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 0.93 0.00 0.00 0.56 0.00 0.00 40 L 8.03 4.18 0.00 1.86 1.80 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.24 3.81 0.00 1.85 1.85 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.75 7.81 42 R 7.11 3.59 0.00 1.67 1.34 0.00 3.00 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 43 F 8.25 4.59 0.00 3.28 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 8.12 5.13 0.00 1.69 1.57 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.64 4.50 0.00 3.98 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 46 E 8.72 4.07 0.00 1.96 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 0.00 2.31 2.39 0.00 47 T 7.53 4.70 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 1.31 0.00 0.00 48 G 8.89 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.60 4.23 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.44 7.81 50 I 8.31 4.15 1.88 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 1.33 0.46 0.91 0.00 0.00 51 L 8.53 4.25 0.00 1.74 1.68 1.03 0.86 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 52 P 0.00 4.51 0.00 2.20 1.97 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 53 R 8.57 4.55 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 54 R 8.16 3.99 0.00 1.85 2.03 0.00 3.21 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 55 R 8.73 4.62 0.00 1.79 1.90 0.00 3.12 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 56 T 7.92 4.39 4.68 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 0.00 0.00 0.00 1.49 0.00 0.00 57 G 8.02 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.61 4.34 0.00 1.82 1.75 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.74 4.92 0.00 3.95 3.92 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 60 G 8.58 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 0.00 0.00 0.00 0.00 61 K 7.94 3.93 0.00 1.82 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 8.11 3.87 0.00 2.13 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 2.29 0.00 63 Q 8.93 3.87 0.00 2.04 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 64 R 7.75 3.87 0.00 2.17 2.04 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 65 I 7.47 3.83 1.92 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 1.39 0.65 0.90 0.00 0.00 66 L 8.08 3.79 0.00 1.50 1.72 0.36 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.76 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 3.99 0.00 1.80 1.82 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 69 T 7.94 4.04 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 70 I 8.15 3.70 1.83 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 1.53 0.72 0.85 0.00 0.00 71 K 7.85 3.85 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.61 7.81 72 R 8.18 3.86 0.00 2.02 1.72 0.00 2.98 0.00 0.00 2.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.68 0.00 73 A 7.97 4.09 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 74 R 7.87 4.35 0.00 1.61 0.66 0.00 2.81 0.00 0.00 2.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 75 I 7.18 3.94 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.76 0.97 0.00 0.00 76 L 7.66 4.33 0.00 1.92 1.79 1.18 0.85 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 77 G 8.09 3.97 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 0.00 0.00 0.00 78 L 8.05 4.29 0.00 1.68 1.74 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.79 0.00 1.56 1.43 0.91 1.01 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 80 P 0.00 4.90 0.00 2.22 2.09 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 81 F 8.64 4.43 0.00 3.01 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.57 4.32 0.00 0.00 0.00 0.00 0.00 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 8.55 4.79 0.00 1.96 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 2.28 2.23 0.00 84 K 8.27 4.40 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.42 7.81 85 L 8.44 4.04 0.00 1.61 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 4.10 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 0.93 0.00 0.00 87 R 8.38 3.85 0.00 2.03 1.91 0.00 3.46 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 88 K 8.73 4.18 0.00 1.89 1.90 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.41 7.81