NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1595 8.3101 121.7892 56.0701 34.0812 175.3466 20 A 4.3237 7.2081 116.0985 51.2561 20.1288 172.3343 21 K 4.1674 7.9246 119.9743 55.8914 32.7549 176.9380 22 V 3.8091 8.2858 124.2689 63.8455 31.7530 178.0224 23 K 3.9603 7.9911 119.7365 60.1783 31.8716 177.8319 24 A 4.2499 7.9393 120.2241 54.3502 18.5890 178.6435 25 T 4.0899 7.4881 111.8462 64.7770 68.4626 173.6180 26 L 4.8041 7.4177 120.1649 52.9564 46.7194 177.3443 27 G 4.1575 8.2076 112.9682 45.9168 0.0000 175.5304 28 E 4.3650 8.8642 127.6796 55.2414 29.5769 175.7587 29 F 4.8307 8.0668 118.5349 54.7790 41.0505 174.1393 30 D 4.4430 8.6934 124.1815 53.3154 40.5530 176.2668 31 L 5.0074 7.9782 131.7469 56.0998 40.6235 177.5818 32 R 4.5114 7.6367 116.3306 56.9710 32.2068 174.4438 33 D 4.4044 8.0117 117.8437 54.2451 41.4432 175.2083 34 Y 4.8539 7.7511 124.4718 57.0198 38.6047 176.5215 35 R 4.4633 8.1468 120.9016 57.9403 33.2824 176.8239 36 N 4.7404 7.6748 115.4800 52.3624 34.9213 175.4529 37 V 3.6267 7.9379 118.5476 65.7149 31.9562 177.9517 38 E 3.8411 8.0590 115.8976 59.5902 29.5794 178.2942 39 V 3.5691 8.1518 119.7595 64.0862 31.3537 177.7857 40 L 4.2174 7.9336 117.3435 58.4661 41.7764 179.7493 41 K 3.9200 8.6224 119.2146 59.5457 32.2656 176.8530 42 R 4.1623 7.4902 116.6522 56.4771 29.7221 176.1831 43 F 5.0937 8.5385 115.9545 56.7205 39.6859 177.1784 44 L 5.3349 8.2129 116.2946 54.8901 43.6840 177.2033 45 S 3.5623 7.9777 113.8967 59.8611 63.2946 171.5574 46 E 4.5410 8.7492 118.2093 56.9205 30.2244 176.1095 47 T 4.6546 7.6925 108.3388 60.2393 69.9807 175.8872 48 G 4.0381 8.0242 110.6998 45.0572 0.0000 174.1740 49 K 4.1838 7.7291 119.8306 55.9197 32.7777 176.2664 50 I 4.2702 8.2461 124.0309 61.7764 37.5215 175.7353 51 L 4.5933 8.2302 127.2729 53.2604 42.9030 175.0128 52 P 4.5010 0.0000 0.0000 62.6006 32.6240 177.5137 53 R 4.2357 8.7269 117.9477 59.0044 30.1074 179.7304 54 R 3.9716 7.8366 115.7169 58.8117 30.7482 177.0604 55 R 4.5035 7.8542 114.0527 57.8093 33.3816 177.5687 56 T 3.9843 8.9723 108.5124 62.7043 69.3762 173.3460 57 G 3.8802 8.5037 110.7092 45.9168 0.0000 171.5702 58 L 4.9129 7.3916 120.0762 52.3259 45.8449 176.6876 59 S 4.3294 9.7172 115.0480 58.1949 64.2055 174.2270 60 A 3.9585 8.4794 124.9708 55.0923 17.9096 179.3186 61 K 3.7447 8.0832 116.4696 59.7807 32.0653 178.7085 62 E 3.9368 7.9764 117.9470 59.5982 29.6713 178.9926 63 Q 3.9160 8.4130 119.5819 59.6274 28.9296 177.6788 64 R 4.0518 8.0785 120.0762 58.3926 29.8955 178.3892 65 I 3.6583 7.9104 120.3072 65.2883 37.3225 177.2554 66 L 3.8451 8.3833 121.2529 57.7238 41.6719 178.4254 67 A 3.9261 8.1621 119.2994 55.4524 18.4965 179.4247 68 K 3.7910 8.1924 116.8836 60.1652 32.2014 179.3589 69 T 3.8816 7.7765 109.5453 64.9966 68.3589 176.0122 70 I 3.6615 7.5753 121.7627 64.2294 37.4439 177.8984 71 K 3.9703 8.0483 118.7810 59.7757 31.9774 179.1766 72 R 3.8101 7.6847 117.8633 59.5736 30.1358 178.8406 73 A 4.0482 7.9833 120.0237 55.3097 18.4059 179.7871 74 R 4.2089 7.7605 117.8957 58.8783 29.7206 179.4171 75 I 3.9783 7.5281 118.1857 64.1853 37.3330 177.5276 76 L 4.3427 7.7259 116.8634 54.7983 41.6346 178.0296 77 G 3.9966 7.8713 107.7266 45.5889 0.0000 173.7729 78 L 4.6118 7.2717 118.5748 55.0180 41.4481 176.6789 79 L 4.4114 7.1835 115.9062 54.8115 45.1597 172.4419 80 P 4.6016 0.0000 0.0000 62.6263 31.8918 176.5560 81 F 4.3329 8.5631 118.8838 58.3688 39.5927 176.1105 82 T 4.4304 7.0860 115.4476 61.8978 69.3340 170.8943 83 E 4.8015 8.0087 123.9686 54.6284 33.0395 174.4294 84 K 4.4114 8.2363 118.3558 54.6443 33.6124 176.8165 85 L 3.9823 8.3128 123.8773 55.0618 42.6042 176.6773 86 V 3.9757 8.0658 124.6633 61.7011 32.2908 171.1870 87 R 3.8274 8.7491 135.0000 55.7277 29.1687 175.7768 88 K 4.1602 8.4977 125.0583 56.4668 32.3799 175.5180 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 4.16 0.00 1.71 1.91 0.00 1.69 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 1.50 7.81 20 A 7.21 4.32 1.23 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 0.00 0.00 0.00 21 K 7.92 4.17 0.00 1.82 1.81 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.39 7.81 22 V 8.29 3.81 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 0.80 0.00 0.00 0.93 0.00 0.00 23 K 7.99 3.96 0.00 2.15 1.90 0.00 1.96 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.54 7.81 24 A 7.94 4.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.49 4.09 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 1.12 0.00 0.00 26 L 7.42 4.80 0.00 1.47 1.37 0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.21 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 0.00 0.00 0.00 0.00 28 E 8.86 4.37 0.00 2.00 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 2.30 2.32 0.00 29 F 8.07 4.83 0.00 3.14 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 30 D 8.69 4.44 0.00 2.76 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 7.98 5.01 0.00 1.82 1.85 0.89 0.40 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 32 R 7.64 4.51 0.00 1.89 2.13 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 33 D 8.01 4.40 0.00 2.65 2.56 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 34 Y 7.75 4.85 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.46 0.00 1.72 1.87 0.00 3.09 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.00 36 N 7.67 4.74 0.00 3.00 3.00 0.00 0.00 6.89 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 7.94 3.63 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 1.07 0.00 0.00 0.92 0.00 0.00 38 E 8.06 3.84 0.00 1.90 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 2.29 2.34 0.00 39 V 8.15 3.57 2.25 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 0.85 0.00 0.00 0.92 0.00 0.00 40 L 7.93 4.22 0.00 1.90 1.82 1.06 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.62 3.92 0.00 1.77 1.82 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.50 7.81 42 R 7.49 4.16 0.00 1.55 1.34 0.00 3.05 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 43 F 8.54 5.09 0.00 3.28 2.94 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 44 L 8.21 5.33 0.00 1.90 1.60 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.98 3.56 0.00 4.07 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.75 4.54 0.00 1.96 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 2.22 2.20 0.00 47 T 7.69 4.65 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 1.22 0.00 0.00 48 G 8.02 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 49 K 7.73 4.18 0.00 1.86 1.77 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.48 7.81 50 I 8.25 4.27 1.89 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 1.36 0.74 0.92 0.00 0.00 51 L 8.23 4.59 0.00 1.62 1.65 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.50 0.00 2.20 2.22 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 53 R 8.73 4.24 0.00 1.91 2.05 0.00 3.45 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.63 0.00 54 R 7.84 3.97 0.00 1.82 2.04 0.00 3.16 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 55 R 7.85 4.50 0.00 1.81 1.92 0.00 3.30 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 56 T 8.97 3.98 4.54 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 1.49 0.00 0.00 57 G 8.50 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 58 L 7.39 4.91 0.00 1.59 1.63 1.13 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.72 4.33 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.48 3.96 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 8.08 3.74 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.54 7.81 62 E 7.98 3.94 0.00 2.30 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 2.34 2.33 0.00 63 Q 8.41 3.92 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 64 R 8.08 4.05 0.00 2.05 1.84 0.00 3.19 0.00 0.00 3.16 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 65 I 7.91 3.66 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.90 0.00 0.00 66 L 8.38 3.85 0.00 1.55 1.65 0.46 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.16 3.93 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 8.19 3.79 0.00 1.95 1.87 0.00 1.56 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 69 T 7.78 3.88 4.34 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 1.37 0.00 0.00 70 I 7.58 3.66 2.03 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 1.68 0.74 0.90 0.00 0.00 71 K 8.05 3.97 0.00 2.04 1.89 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 72 R 7.68 3.81 0.00 1.87 1.70 0.00 2.91 0.00 0.00 2.67 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 73 A 7.98 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.21 0.00 1.63 0.66 0.00 2.96 0.00 0.00 2.95 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.19 0.00 75 I 7.53 3.98 2.04 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 1.84 0.77 0.96 0.00 0.00 76 L 7.73 4.34 0.00 1.81 1.76 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.87 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 0.00 0.00 0.00 78 L 7.27 4.61 0.00 1.81 1.77 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.18 4.41 0.00 1.61 1.41 0.97 1.02 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 80 P 0.00 4.60 0.00 2.03 1.99 0.00 3.62 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 2.01 2.09 0.00 81 F 8.56 4.33 0.00 3.06 3.10 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 82 T 7.09 4.43 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 83 E 8.01 4.80 0.00 2.15 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 2.19 2.39 0.00 84 K 8.24 4.41 0.00 1.77 1.77 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.36 7.81 85 L 8.31 3.98 0.00 1.59 1.57 0.92 0.87 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 8.07 3.98 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 0.86 0.00 0.00 0.96 0.00 0.00 87 R 8.75 3.83 0.00 1.99 2.00 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 1.48 1.60 0.00 88 K 8.50 4.16 0.00 1.72 1.62 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.33 7.81