NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3518 8.2649 123.5827 52.1262 18.8420 174.6215 3 K 4.2973 7.6178 118.8295 55.7140 35.3325 173.2821 4 E 4.6719 8.6350 118.0408 54.8175 34.2547 174.6927 5 L 4.7833 8.4129 122.8381 52.9939 45.2040 176.2752 6 R 4.5595 8.3493 121.7708 54.5246 31.9073 177.0319 7 C 4.4461 8.4117 117.4696 57.0041 41.0038 174.3804 8 Q 4.0621 8.8918 120.8693 59.3812 28.3941 178.2081 9 C 4.5244 8.5270 117.2242 56.3896 40.0667 173.7715 10 I 3.8164 8.5715 126.4006 63.7802 36.8241 176.0980 11 K 4.7698 7.6755 115.5323 54.8777 36.1600 175.1198 12 T 4.8510 8.1617 108.5060 60.3413 71.1608 174.0361 13 Y 4.4556 8.8518 126.8041 56.8621 37.5189 175.6380 14 S 5.0206 7.8440 125.7304 56.6927 63.2289 175.9790 15 K 4.2100 7.2887 118.1270 54.5601 35.5110 175.2697 16 P 2.9700 0.0000 0.0000 62.4938 31.6614 175.2460 17 F 4.8264 7.5822 114.4226 56.3720 40.2394 173.2713 18 H 4.6261 8.8940 118.5456 54.7542 29.3773 174.4266 19 P 4.3643 0.0000 0.0000 64.4715 31.7495 178.4183 20 K 3.7245 7.9705 118.1290 59.9943 32.2037 177.6447 21 F 4.5970 7.8168 115.2481 57.6280 39.3327 174.4444 22 I 4.4604 7.7909 122.7808 59.6652 38.1880 175.5773 23 K 4.6737 8.0577 120.5386 56.2446 34.7240 176.1066 24 E 4.7439 7.7741 118.8213 54.1801 32.9298 173.9993 25 L 4.9085 8.5763 127.8153 53.5167 45.0128 175.6649 26 R 4.6536 8.8651 122.7916 54.7441 34.5407 174.0831 27 V 4.7980 8.5748 123.6547 61.0686 34.2800 174.4030 28 I 4.5027 8.4621 128.7224 59.4138 39.5221 175.2793 29 E 4.6329 9.1616 128.2660 54.3563 30.9834 175.9123 30 S 4.0979 8.2190 117.0872 59.3494 63.3060 174.1908 31 G 4.3878 8.9825 114.1085 42.7842 0.0000 171.1212 32 P 4.5192 0.0000 0.0000 64.2222 31.1024 176.2052 33 H 4.8636 8.2093 112.9826 55.4510 30.7141 174.3582 34 C 4.7249 7.9531 119.8698 54.8441 46.1627 173.4991 35 A 4.8382 8.5706 128.8229 52.1318 19.7426 176.3640 36 N 4.8853 7.6342 118.2913 54.2225 43.4359 173.2316 37 T 5.1496 8.5461 117.5318 62.9127 73.1645 173.0774 38 E 4.6601 8.8554 123.7134 54.7646 34.0216 174.5784 39 I 4.6149 8.3797 124.8643 60.5685 39.0408 174.8814 40 I 5.2511 8.9838 126.8855 59.7964 41.7398 174.7268 41 V 4.7565 8.5939 122.7025 60.3228 34.1571 173.1360 42 K 4.4816 8.8549 125.4530 56.1277 33.5798 175.0891 43 L 4.8591 8.5451 130.2798 53.6150 42.9875 177.6404 44 S 4.2730 8.7892 121.5756 60.8143 63.3190 175.8881 45 D 4.3790 8.3242 120.3968 55.8645 41.0933 176.3152 46 G 4.0538 7.2430 114.8852 46.1296 0.0000 173.3332 47 R 4.3405 7.2439 120.3211 55.2973 32.2087 174.3931 48 E 5.1222 8.3303 117.3677 55.5962 33.4881 175.1204 49 L 4.5749 8.6696 121.1915 54.1059 46.2530 173.3900 50 C 5.3807 8.8926 122.0884 55.2829 42.8813 172.9684 51 L 5.1799 8.7366 123.5293 53.0992 44.3413 175.8251 52 D 4.6906 8.2834 120.4677 51.9894 41.5570 175.2467 53 P 4.2329 0.0000 0.0000 63.9796 31.3307 177.3612 54 K 4.0757 7.8498 118.8064 57.5462 32.5335 176.2061 55 E 4.5636 7.9333 119.2517 55.0719 31.1478 176.8261 56 N 4.3012 8.6729 120.8148 56.0609 38.7542 177.7493 57 W 4.3149 8.0780 117.4399 59.1931 28.1720 178.4085 58 V 3.1392 6.3055 119.4756 65.6042 30.7692 177.6464 59 Q 3.9920 7.6688 118.9789 58.2772 28.7068 177.7704 60 R 4.0096 7.6686 119.5826 59.2844 30.4129 178.3657 61 V 3.6632 7.9952 112.1092 64.4471 31.5787 178.9206 62 V 3.6805 7.8224 117.9914 65.7797 31.3958 177.6614 63 E 3.9821 7.9604 118.9613 59.2707 29.4588 178.9725 64 K 3.9727 8.4811 118.9162 59.3317 32.1250 178.8739 65 F 4.1703 8.0562 120.9569 61.4576 39.2505 177.2652 66 L 3.7889 7.8770 117.9109 57.6912 41.6042 179.4916 67 K 3.9696 8.1888 119.3791 58.9100 32.0187 178.8803 68 R 3.8573 8.2134 119.4804 59.0876 29.9624 178.2170 69 A 3.8567 7.7884 119.3387 54.3744 18.2607 178.8262 70 E 4.0034 7.7451 117.5804 59.1815 29.9402 177.9603 71 N 4.4022 7.7933 115.4984 56.1460 39.0519 175.0742 72 S 4.3433 7.7687 118.5828 58.6165 62.6151 173.4230 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 2 A 8.26 4.35 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 3 K 7.62 4.30 0.00 1.76 1.74 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.59 7.81 4 E 8.63 4.67 0.00 1.89 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 0.00 2.21 2.32 0.00 5 L 8.41 4.78 0.00 1.59 1.56 1.00 0.97 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 6 R 8.35 4.56 0.00 1.81 1.85 0.00 3.38 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 7 C 8.41 4.45 0.00 2.95 3.31 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 8 Q 8.89 4.06 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.05 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 9 C 8.53 4.52 0.00 3.22 3.27 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 10 I 8.57 3.82 1.88 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 1.42 0.35 0.92 0.00 0.00 11 K 7.68 4.77 0.00 1.72 1.71 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.42 7.81 12 T 8.16 4.85 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 1.24 0.00 0.00 13 Y 8.85 4.46 0.00 2.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.84 5.02 0.00 4.17 3.98 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 0.00 0.00 0.00 15 K 7.29 4.21 0.00 0.79 1.26 0.00 1.23 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.04 0.91 7.81 16 P 0.00 2.97 0.00 1.66 1.37 0.00 3.34 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.00 0.00 17 F 7.58 4.83 0.00 3.19 2.93 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 18 H 8.89 4.63 0.00 3.24 3.17 0.00 5.72 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.36 0.00 2.25 2.44 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 20 K 7.97 3.72 0.00 1.59 1.78 0.00 1.37 0.00 0.00 1.09 0.00 0.00 2.53 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.54 0.21 7.81 21 F 7.82 4.60 0.00 3.34 3.19 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 22 I 7.79 4.46 1.94 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.28 0.00 0.00 23 K 8.06 4.67 0.00 1.73 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.53 7.81 24 E 7.77 4.74 0.00 2.01 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 25 L 8.58 4.91 0.00 1.29 1.59 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.87 4.65 0.00 1.73 1.76 0.00 3.12 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 27 V 8.57 4.80 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 0.78 0.00 0.00 0.95 0.00 0.00 28 I 8.46 4.50 1.90 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 1.13 0.87 0.96 0.00 0.00 29 E 9.16 4.63 0.00 1.99 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 2.29 2.15 0.00 30 S 8.22 4.10 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.39 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 0.00 32 P 0.00 4.52 0.00 2.19 2.20 0.00 3.50 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.21 4.86 0.00 3.46 3.39 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 7.95 4.72 0.00 2.38 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.84 1.25 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 0.00 0.00 0.00 36 N 7.63 4.89 0.00 2.57 2.57 0.00 0.00 6.76 7.04 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 37 T 8.55 5.15 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 38 E 8.86 4.66 0.00 1.90 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 2.21 2.26 0.00 39 I 8.38 4.61 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.91 0.00 0.00 40 I 8.98 5.25 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 1.30 0.73 0.96 0.00 0.00 41 V 8.59 4.76 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 0.95 0.00 0.00 0.87 0.00 0.00 42 K 8.85 4.48 0.00 1.90 1.70 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.43 7.81 43 L 8.55 4.86 0.00 1.76 1.52 0.80 0.46 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 44 S 8.79 4.27 0.00 4.10 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 0.00 45 D 8.32 4.38 0.00 2.54 2.66 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 0.00 0.00 0.00 0.00 46 G 7.24 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 0.00 0.00 0.00 47 R 7.24 4.34 0.00 1.80 1.85 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 48 E 8.33 5.12 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 49 L 8.67 4.57 0.00 1.58 1.41 0.41 0.09 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 50 C 8.89 5.38 0.00 2.98 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 51 L 8.74 5.18 0.00 1.53 1.58 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.28 4.69 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.02 2.03 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 54 K 7.85 4.08 0.00 1.80 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 E 7.93 4.56 0.00 1.16 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 2.20 2.32 0.00 56 N 8.67 4.30 0.00 2.85 2.90 0.00 0.00 6.90 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 W 8.08 4.31 0.00 3.63 3.35 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 58 V 6.31 3.14 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.69 0.00 0.00 59 Q 7.67 3.99 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 60 R 7.67 4.01 0.00 2.13 1.96 0.00 3.29 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 61 V 8.00 3.66 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 1.08 0.00 0.00 1.14 0.00 0.00 62 V 7.82 3.68 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 0.99 0.00 0.00 0.92 0.00 0.00 63 E 7.96 3.98 0.00 2.16 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 2.32 2.36 0.00 64 K 8.48 3.97 0.00 2.07 1.87 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.46 7.81 65 F 8.06 4.17 0.00 3.06 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.88 3.79 0.00 1.91 1.68 0.98 0.77 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 67 K 8.19 3.97 0.00 1.94 1.77 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 68 R 8.21 3.86 0.00 1.85 1.89 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 69 A 7.79 3.86 0.79 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 0.00 0.00 0.00 0.00 0.00 70 E 7.75 4.00 0.00 1.99 1.92 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 2.27 2.26 0.00 71 N 7.79 4.40 0.00 2.77 2.84 0.00 0.00 7.18 6.92 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 72 S 7.77 4.34 0.00 4.03 3.69 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 0.00 0.00 0.00 0.00