NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.3819 8.3344 116.7946 58.3644 63.0139 171.8265 18 R 4.3283 7.9655 124.4047 52.5968 33.2512 173.4026 19 K 3.9301 9.9778 122.6803 57.3386 31.3658 174.9825 20 A 3.6266 7.6622 123.5607 51.0087 18.6988 177.2427 21 K 4.5922 8.1388 127.9244 54.7572 31.6027 178.8342 22 V 4.4477 8.7535 129.2429 63.2155 32.7920 172.9487 23 K 4.4022 8.8859 115.5115 57.8915 32.1635 175.6148 24 A 4.6978 8.3952 119.6572 52.2513 20.3421 176.1730 25 T 4.4486 7.5575 112.6833 62.5035 68.6520 173.9436 26 L 4.4949 7.1692 120.3973 55.2746 42.0712 173.4998 27 G 3.9652 8.6258 109.3073 44.2844 0.0000 173.0846 28 E 3.9500 8.3777 117.3919 56.5419 29.9298 175.6530 29 F 4.7330 7.1445 113.4089 56.5059 40.5052 174.1535 30 D 4.6857 8.4918 121.5123 52.5906 39.3995 176.8300 31 L 4.4858 8.3519 121.9998 55.7546 39.8800 178.3388 32 R 4.4728 8.7507 117.8972 56.4903 31.2079 174.6883 33 D 4.6341 8.0004 117.2148 54.0429 41.9447 175.1550 34 Y 4.6120 7.8619 123.1876 56.9816 38.9474 176.2042 35 R 4.1854 8.5810 121.0517 58.1647 31.9779 177.4924 36 N 4.6698 8.1336 116.1033 53.6576 35.5450 175.8424 37 V 3.3564 7.2404 122.5371 65.5912 32.1606 178.1118 38 E 4.0478 7.9311 119.6694 58.4653 29.3502 179.6741 39 V 3.5773 7.3270 116.4302 66.0501 31.7505 177.8709 40 L 4.0650 7.6780 117.9088 57.8562 41.7194 178.9311 41 K 3.7339 8.8423 120.7323 59.8218 31.7627 177.7501 42 R 4.0737 7.5825 114.8808 57.7037 30.1504 176.3409 43 F 4.6671 8.9134 116.3956 57.8293 40.5442 174.5349 44 L 5.3239 7.8292 119.9092 52.5499 43.7065 176.7489 45 S 4.3003 8.8198 118.8126 57.8378 64.4648 174.8662 46 E 4.3416 8.6048 115.4079 57.2504 28.7025 177.5716 47 T 4.8970 7.2113 106.6833 59.8613 69.7547 174.6817 48 G 4.1906 8.4704 114.1725 45.8474 0.0000 174.7842 49 K 3.9767 7.7252 117.5097 56.1945 33.4655 176.3722 50 I 4.2424 8.1650 123.2922 61.1185 37.9448 175.9027 51 L 4.4005 8.4430 126.8157 53.8049 42.3021 175.5801 52 P 4.5639 0.0000 0.0000 62.2120 32.5030 177.5731 53 R 4.4475 8.4663 117.3155 58.7302 30.1143 179.0002 54 R 4.0296 8.1015 116.9069 58.4865 30.2690 176.2502 55 R 4.4677 7.7464 113.1711 58.2866 32.0465 176.7590 56 T 3.9137 8.2584 108.3930 63.1975 68.5214 175.0364 57 G 4.0469 8.0765 107.4799 45.7045 0.0000 172.6766 58 L 4.6881 7.2831 117.8071 53.0727 42.8787 176.2869 59 S 4.2098 8.7260 113.4099 58.3871 63.8255 175.1622 60 A 3.9372 8.3328 124.2751 55.2211 18.2807 179.4664 61 K 3.7396 8.1572 117.6141 59.7961 31.9172 178.5580 62 E 3.9462 7.9364 118.1665 59.3428 29.8652 178.5305 63 Q 3.9771 8.2175 119.8117 59.4871 28.7738 178.5292 64 R 3.9717 8.3138 119.8376 58.8438 29.8032 178.6747 65 I 3.6901 7.9309 113.0262 64.1239 37.2477 177.8157 66 L 3.8423 8.3680 122.4090 57.7047 41.9537 178.3068 67 A 3.9141 7.7836 120.2768 56.1464 18.2677 178.9347 68 K 3.6432 7.9591 115.7204 59.8764 31.9758 179.0320 69 T 3.9029 7.8968 108.1299 65.5408 68.7399 175.9013 70 I 3.6223 8.0580 123.3209 63.8228 37.1541 178.0629 71 K 3.6836 8.2980 119.2772 60.0955 32.0063 178.8208 72 R 3.7948 8.1825 117.5154 59.6086 29.9308 178.5313 73 A 4.1642 8.5829 120.2838 55.8345 18.1271 180.0106 74 R 4.3388 8.0495 117.0705 58.8988 30.3638 179.0273 75 I 4.1205 8.2071 120.0415 64.4517 36.9196 178.4188 76 L 4.5255 8.3323 115.0319 54.2688 41.1768 177.0796 77 G 4.1161 7.9790 106.3802 46.8080 0.0000 174.8230 78 L 4.5918 8.8453 119.8905 54.3485 43.1517 177.1548 79 L 4.7722 7.5429 118.3606 51.9398 45.4186 174.1669 80 P 4.6535 0.0000 0.0000 63.2945 31.9755 175.8387 81 F 4.3713 8.5012 117.4614 59.6470 40.6739 176.9425 82 T 5.1987 7.9563 110.5823 62.8408 70.7097 172.6956 83 E 4.0212 7.7934 121.1638 56.4068 30.4796 177.9434 84 K 4.2770 8.3634 119.7551 56.1786 32.8767 176.5405 85 L 4.3541 8.2189 121.6035 54.9869 41.6307 176.3435 86 V 4.2893 8.1442 121.3840 62.0737 34.2810 177.2357 87 R 3.3425 8.2129 125.0481 56.5448 30.2686 175.7822 88 K 3.9831 8.4296 115.7172 57.0609 32.3418 174.0974 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 17 S 8.33 4.38 0.00 3.88 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 7.97 4.33 0.00 1.77 1.79 0.00 3.26 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 19 K 9.98 3.93 0.00 1.79 2.09 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.23 1.33 7.81 20 A 7.66 3.63 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 21 K 8.14 4.59 0.00 1.74 1.16 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.50 7.81 22 V 8.75 4.45 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.33 0.00 0.00 23 K 8.89 4.40 0.00 2.35 2.44 0.00 1.47 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.61 7.81 24 A 8.40 4.70 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 25 T 7.56 4.45 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 26 L 7.17 4.49 0.00 1.78 1.63 1.36 0.36 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 27 G 8.63 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 28 E 8.38 3.95 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 29 F 7.14 4.73 0.00 3.13 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 30 D 8.49 4.69 0.00 2.76 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 31 L 8.35 4.49 0.00 1.86 2.26 0.92 0.55 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 32 R 8.75 4.47 0.00 1.66 2.25 0.00 3.32 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 33 D 8.00 4.63 0.00 2.64 2.69 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 34 Y 7.86 4.61 0.00 3.11 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 8.58 4.19 0.00 1.60 1.86 0.00 3.06 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 36 N 8.13 4.67 0.00 2.83 2.94 0.00 0.00 5.98 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 37 V 7.24 3.36 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 0.91 0.00 0.00 0.94 0.00 0.00 38 E 7.93 4.05 0.00 2.02 2.02 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 2.40 2.41 0.00 39 V 7.33 3.58 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 0.31 0.00 0.00 0.88 0.00 0.00 40 L 7.68 4.06 0.00 1.87 1.67 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.84 3.73 0.00 1.71 1.85 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.64 7.81 42 R 7.58 4.07 0.00 1.80 1.69 0.00 3.24 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 43 F 8.91 4.67 0.00 3.06 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 7.83 5.32 0.00 1.51 1.61 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.82 4.30 0.00 3.89 4.03 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 46 E 8.60 4.34 0.00 1.98 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 2.30 2.23 0.00 47 T 7.21 4.90 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 1.22 0.00 0.00 48 G 8.47 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 49 K 7.73 3.98 0.00 1.72 1.79 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.71 7.81 50 I 8.17 4.24 1.86 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 1.29 0.69 0.93 0.00 0.00 51 L 8.44 4.40 0.00 1.70 1.63 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.56 0.00 2.23 2.19 0.00 3.71 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 2.08 1.99 0.00 53 R 8.47 4.45 0.00 1.92 2.05 0.00 3.44 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 54 R 8.10 4.03 0.00 1.77 1.99 0.00 3.18 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 55 R 7.75 4.47 0.00 1.94 1.88 0.00 3.45 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 56 T 8.26 3.91 4.50 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 0.00 0.00 0.00 1.42 0.00 0.00 57 G 8.08 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 58 L 7.28 4.69 0.00 1.96 1.80 1.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.73 4.21 0.00 3.94 3.94 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 0.00 0.00 0.00 60 A 8.33 3.94 1.32 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 0.00 0.00 0.00 61 K 8.16 3.74 0.00 1.83 1.84 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.55 7.81 62 E 7.94 3.95 0.00 2.32 1.98 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 2.37 2.35 0.00 63 Q 8.22 3.98 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 64 R 8.31 3.97 0.00 2.10 1.91 0.00 3.19 0.00 0.00 3.22 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 65 I 7.93 3.69 1.87 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 1.40 0.92 0.91 0.00 0.00 66 L 8.37 3.84 0.00 1.73 1.83 0.33 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.78 3.91 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 68 K 7.96 3.64 0.00 1.89 1.76 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 69 T 7.90 3.90 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 70 I 8.06 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.86 0.00 0.00 71 K 8.30 3.68 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.64 7.81 72 R 8.18 3.79 0.00 1.98 1.75 0.00 2.88 0.00 0.00 2.50 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.68 0.00 73 A 8.58 4.16 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.05 4.34 0.00 1.65 1.68 0.00 2.93 0.00 0.00 2.63 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 75 I 8.21 4.12 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 0.94 0.00 0.00 76 L 8.33 4.53 0.00 1.63 1.77 1.03 1.07 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 7.98 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 78 L 8.85 4.59 0.00 1.79 1.75 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.54 4.77 0.00 1.65 1.50 0.92 1.11 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 80 P 0.00 4.65 0.00 2.07 2.07 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 81 F 8.50 4.37 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 5.20 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 1.33 0.00 0.00 83 E 7.79 4.02 0.00 2.16 2.15 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 2.45 2.39 0.00 84 K 8.36 4.28 0.00 1.78 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.38 7.81 85 L 8.22 4.35 0.00 1.73 1.67 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.14 4.29 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 0.81 0.00 0.00 0.93 0.00 0.00 87 R 8.21 3.34 0.00 1.86 1.53 0.00 3.40 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 88 K 8.43 3.98 0.00 1.71 1.60 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.16 1.25 7.81