NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.2071 8.1844 122.4906 54.8360 43.0534 175.4104 14 V 4.0966 8.2050 125.9973 59.8400 33.2653 173.0876 15 D 4.5066 9.3524 128.7450 53.3599 42.7737 174.7134 16 P 4.3406 0.0000 0.0000 65.2392 31.2408 178.2536 17 L 3.9205 8.7769 120.0774 58.5136 41.8585 179.2500 18 T 3.8711 7.9267 115.4497 66.8905 68.4576 176.6956 19 T 3.8132 7.8399 117.0015 66.8334 68.5443 176.6479 20 V 3.7971 8.4898 120.3715 66.2201 31.4748 178.2940 21 R 3.9269 8.2553 117.9018 59.1322 29.6413 178.9173 22 E 4.0157 7.8993 117.6208 59.5436 29.9252 179.0726 23 Q 4.1625 8.1832 118.0672 59.2574 28.9054 178.2812 24 C 4.3905 8.5036 117.7072 59.8260 40.0328 175.4753 25 E 4.1061 8.1766 118.2900 58.2043 29.1064 178.5638 26 Q 4.1694 7.7270 117.8141 57.2987 29.4487 176.6606 27 L 4.0954 7.3401 119.7189 54.6852 42.5807 177.5700 28 E 3.9094 9.0371 122.6956 59.5443 29.4306 179.2220 29 K 3.9352 8.0608 118.8889 59.8959 32.2748 178.4139 30 C 4.3280 8.0389 116.4276 62.8439 28.1816 176.3100 31 V 3.7392 8.1986 114.3681 64.2712 31.1095 178.8213 32 K 3.9886 8.6041 118.5098 59.4175 31.9194 179.3011 33 A 4.0630 8.2763 121.1183 55.2142 18.2510 179.6389 34 R 3.5240 8.6997 117.5645 59.4913 30.0343 178.6703 35 E 3.9380 8.2776 118.5152 59.4294 29.4353 179.5322 36 R 3.9412 8.0387 118.1675 58.8164 29.9586 178.9674 37 L 3.9157 7.8150 120.4189 58.2295 42.1747 178.8466 38 E 4.2240 8.2770 120.1804 58.6946 29.2456 179.2965 39 L 3.9494 8.0414 119.1190 57.9765 41.7606 178.6095 40 C 4.1773 8.2544 118.2690 59.7986 39.8947 175.1159 41 D 4.3033 8.3042 120.6566 57.4865 40.4591 178.3403 42 E 3.9415 8.1306 119.3529 59.3857 29.4038 178.5541 43 R 3.8336 7.8951 117.3316 59.5792 30.4369 178.3277 44 V 3.7240 8.3288 118.1239 66.1379 31.4266 178.1040 45 S 4.1830 8.2169 113.1717 61.3568 62.7632 175.9412 46 S 4.3163 7.9726 115.5342 58.9404 62.9268 173.9090 47 R 4.6017 7.5156 121.5669 55.0584 32.2273 175.7301 48 S 4.5970 8.5143 113.2482 59.0012 65.1129 174.9523 49 Q 4.5127 7.5454 118.0544 54.4497 31.1340 174.4669 50 T 4.2599 8.1078 114.1862 61.5082 69.8736 172.5078 51 E 4.3707 8.7607 124.4859 56.3701 30.5805 175.9635 52 E 4.2210 7.6638 121.1966 56.0798 30.2978 174.8180 53 D 4.8424 8.1596 122.3941 51.7531 42.8184 175.7632 54 C 5.1389 8.3375 114.8324 56.4908 38.7923 176.2809 55 T 3.8172 8.5902 121.0754 66.7716 68.0310 175.6184 56 E 3.9099 8.1753 120.4646 59.5794 29.4866 178.6072 57 E 4.0084 8.1547 117.9467 59.2351 29.5074 179.0308 58 L 4.0870 8.1931 120.4673 58.2414 42.1370 179.0165 59 L 4.0745 8.4222 119.3797 57.8381 41.6263 179.2168 60 D 4.3560 8.3100 118.8672 57.3280 40.7294 178.6646 61 F 4.1941 8.3074 121.0060 61.4382 39.4698 177.2064 62 L 3.6418 8.4177 119.0247 57.7725 41.2082 179.0400 63 H 4.0049 8.5120 118.3814 59.0761 29.3492 177.2841 64 A 3.9249 7.7890 122.2911 55.0558 18.1591 179.6455 65 R 3.6554 7.6472 117.2893 59.7246 30.1904 178.5622 66 D 4.2508 8.4517 118.5607 57.0243 40.4617 178.2861 67 H 3.9714 7.5333 118.8362 59.0835 30.2021 176.1991 68 C 4.2358 7.7108 119.1530 59.6000 42.1795 175.4640 69 V 3.4735 7.9179 119.9287 66.1857 30.8196 177.8026 70 A 3.8580 7.7429 119.0194 55.4043 18.1943 178.9891 71 H 4.3664 7.7965 113.4467 57.6417 28.9885 176.8560 72 K 4.4140 7.5862 118.8687 57.6181 33.7413 177.7135 73 L 3.9641 8.1464 121.0770 58.5888 41.9331 179.1699 74 F 4.2933 8.4969 116.0852 59.8256 38.6330 176.7287 75 N 4.5449 8.4253 115.5792 55.0963 38.4756 175.6634 76 S 4.6162 8.1193 114.8853 58.2037 64.0776 173.9534 77 L 4.5756 7.1109 120.6815 52.5233 43.2353 176.4522 78 K 4.0788 8.3688 121.5438 56.7717 32.1508 176.6338 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 13 L 8.18 4.21 0.00 1.60 1.66 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.21 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 0.83 0.00 0.00 0.93 0.00 0.00 15 D 9.35 4.51 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.34 0.00 2.21 2.10 0.00 3.67 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 2.11 2.14 0.00 17 L 8.78 3.92 0.00 1.75 1.77 0.95 0.82 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 18 T 7.93 3.87 4.35 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 1.23 0.00 0.00 19 T 7.84 3.81 4.37 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 1.22 0.00 0.00 20 V 8.49 3.80 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 1.11 0.00 0.00 0.97 0.00 0.00 21 R 8.26 3.93 0.00 2.17 2.00 0.00 3.28 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 22 E 7.90 4.02 0.00 2.11 2.03 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 2.38 2.75 0.00 23 Q 8.18 4.16 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 24 C 8.50 4.39 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 25 E 8.18 4.11 0.00 2.24 2.16 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 2.73 2.57 0.00 26 Q 7.73 4.17 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.82 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 27 L 7.34 4.10 0.00 1.76 1.61 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.04 3.91 0.00 2.04 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 2.40 2.40 0.00 29 K 8.06 3.94 0.00 1.87 1.80 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.55 7.81 30 C 8.04 4.33 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.74 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 0.99 0.00 0.00 1.03 0.00 0.00 32 K 8.60 3.99 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.59 7.81 33 A 8.28 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.70 3.52 0.00 1.74 2.05 0.00 3.03 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.21 0.00 35 E 8.28 3.94 0.00 2.23 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 2.31 2.51 0.00 36 R 8.04 3.94 0.00 2.01 1.98 0.00 3.13 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 37 L 7.81 3.92 0.00 1.82 1.76 0.90 0.80 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 38 E 8.28 4.22 0.00 1.99 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 2.24 2.46 0.00 39 L 8.04 3.95 0.00 1.94 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.25 4.18 0.00 3.08 3.24 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 41 D 8.30 4.30 0.00 2.86 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 42 E 8.13 3.94 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 2.30 2.32 0.00 43 R 7.90 3.83 0.00 1.82 2.11 0.00 3.32 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 44 V 8.33 3.72 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 45 S 8.22 4.18 0.00 4.02 3.99 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 46 S 7.97 4.32 0.00 4.06 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.60 0.00 1.93 1.90 0.00 3.10 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 48 S 8.51 4.60 0.00 3.81 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 49 Q 7.55 4.51 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 50 T 8.11 4.26 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 1.24 0.00 0.00 51 E 8.76 4.37 0.00 2.09 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 0.00 2.22 2.34 0.00 52 E 7.66 4.22 0.00 1.92 1.88 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 2.32 2.24 0.00 53 D 8.16 4.84 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.34 5.14 0.00 2.97 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 55 T 8.59 3.82 4.29 0.00 0.00 0.00 0.00 0.00 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 56 E 8.18 3.91 0.00 2.04 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 2.39 2.42 0.00 57 E 8.15 4.01 0.00 2.24 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 2.58 2.44 0.00 58 L 8.19 4.09 0.00 1.79 1.85 1.05 0.56 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 59 L 8.42 4.07 0.00 1.84 1.72 0.93 1.03 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 60 D 8.31 4.36 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.31 4.19 0.00 3.17 3.28 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 62 L 8.42 3.64 0.00 1.83 1.66 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.51 4.00 0.00 3.28 3.43 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.79 3.92 1.27 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 0.00 0.00 65 R 7.65 3.66 0.00 1.17 1.42 0.00 3.14 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 66 D 8.45 4.25 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 7.53 3.97 0.00 3.00 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 7.71 4.24 0.00 3.02 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 69 V 7.92 3.47 2.14 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 1.03 0.00 0.00 0.91 0.00 0.00 70 A 7.74 3.86 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 71 H 7.80 4.37 0.00 3.25 3.29 0.00 5.63 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.59 4.41 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 73 L 8.15 3.96 0.00 1.87 1.85 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.50 4.29 0.00 3.05 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 75 N 8.43 4.54 0.00 2.84 2.90 0.00 0.00 6.87 7.11 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 76 S 8.12 4.62 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.11 4.58 0.00 1.28 1.34 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.37 4.08 0.00 1.67 1.63 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.40 7.81