NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9113 8.3549 109.7365 45.6474 0.0000 173.7711 2 S 4.3084 8.5817 120.9657 57.1647 63.8138 172.4330 3 S 4.3916 9.0373 122.5335 60.9854 65.3960 174.1184 4 G 4.0239 8.6909 110.2334 45.0830 0.0000 174.0359 5 S 3.6621 9.3156 112.4147 59.1332 62.6544 172.8985 6 S 4.6758 8.5410 114.5850 58.7607 65.3620 174.0649 7 G 4.1310 7.5518 110.7048 44.7745 0.0000 176.0576 8 R 4.3621 8.5432 120.3170 55.5341 31.3528 176.1583 9 S 3.6820 7.7203 111.6471 59.2860 62.1128 172.4229 10 S 4.4086 8.1056 116.5132 59.2463 63.6349 173.6482 11 R 3.8178 7.9050 116.7041 57.7665 27.1350 176.0914 12 T 4.3236 7.9282 113.3500 61.5664 70.5262 174.0837 13 R 4.4300 8.1456 126.2389 54.3443 32.2910 174.8424 14 F 4.6155 8.7648 123.6902 56.9156 40.7745 175.3799 15 T 4.6704 8.0063 115.8294 60.5235 70.6085 175.1923 16 D 4.4394 8.5091 125.4210 57.7727 40.9767 178.9133 17 Y 4.2867 8.1722 119.3502 60.9898 38.7018 178.3024 18 Q 3.3601 7.6347 118.0194 58.8655 29.0934 178.2407 19 L 3.6514 8.2568 120.2036 57.6011 41.4469 179.8136 20 R 3.7960 8.1728 119.0242 59.4670 30.0264 178.8302 21 V 3.5740 7.1666 117.3558 65.7886 31.4196 177.9942 22 L 3.7668 7.8802 119.1463 57.8294 41.3474 179.3739 23 Q 4.0255 8.0161 119.8528 59.0723 29.0327 177.5841 24 D 4.3324 8.3719 119.5117 57.3220 41.2996 178.0354 25 F 4.0964 8.6244 121.3529 60.7352 39.1102 177.1496 26 F 4.7251 7.8054 121.1078 60.8572 39.3591 176.3448 27 D 4.5516 8.3384 116.1117 57.0175 40.9058 177.4980 28 A 4.3626 7.3261 118.4883 52.3721 19.9964 177.1774 29 N 4.5251 8.2093 115.8692 52.3201 41.9094 174.1621 30 A 4.5391 7.7967 126.2792 51.9278 19.7403 175.1324 31 Y 5.1865 7.3371 114.1265 57.5240 39.0957 173.9625 32 P 4.5660 0.0000 0.0000 62.7392 32.5199 176.0310 33 K 4.6383 8.2739 118.5337 54.5298 35.3671 177.0738 34 D 4.4076 8.6251 119.1155 58.0370 40.6486 177.8001 35 D 4.4060 8.2355 116.1509 57.6756 41.2591 178.0253 36 E 4.1206 8.1929 117.9710 59.6672 29.6713 178.8917 37 F 3.4608 8.4782 118.1055 60.8335 38.9523 177.7007 38 E 3.9916 8.4442 117.8609 59.5075 29.3477 179.1876 39 Q 4.0259 8.1934 118.2701 59.2427 28.7847 179.3427 40 L 3.9385 7.5517 119.2091 57.6742 41.8168 179.2635 41 S 4.6192 7.9335 114.4572 61.0152 62.0551 175.9527 42 N 4.4250 8.4973 119.0193 55.7559 38.1211 177.0479 43 L 4.1408 7.7856 121.4214 58.1853 42.2259 178.6671 44 L 4.0208 8.2258 116.9822 54.8535 41.8084 176.7861 45 N 4.8101 7.4615 115.0001 53.7974 36.8288 173.9013 46 L 4.8484 7.5333 116.1988 51.8113 44.9412 174.3226 47 P 4.6451 0.0000 0.0000 62.6276 32.2284 177.0998 48 T 3.8958 8.8998 114.2138 65.2647 68.1382 175.9779 49 R 3.9151 8.1048 118.1482 59.3515 28.9299 178.7912 50 V 3.7806 8.4278 118.9048 65.8358 31.5794 178.1735 51 I 3.9327 7.7374 119.1876 63.9836 37.0143 178.4979 52 V 3.7232 8.4746 119.7239 66.1527 31.5364 178.1310 53 V 3.7507 7.7243 117.7727 65.8771 31.3061 177.8277 54 W 4.0519 8.3207 128.1510 60.5460 30.4753 178.1033 55 F 4.4521 9.2781 117.9424 60.6543 38.1809 177.4998 56 Q 4.1856 8.7738 117.0802 59.2393 28.8232 178.5744 57 N 4.3662 8.0492 116.3090 56.4798 38.7696 177.1414 58 A 3.2643 7.3340 121.8867 55.3553 18.0423 180.0225 59 R 4.1781 7.9184 116.2210 59.5459 29.9917 179.1857 60 Q 4.0257 8.0592 117.3040 58.8808 28.8093 178.8232 61 K 4.0545 7.8549 117.9594 59.7317 32.7510 178.6480 62 A 4.1844 7.5701 121.0913 53.7794 18.4914 178.4055 63 R 4.0087 7.4613 117.0127 56.3482 30.4509 176.3869 64 K 4.6945 8.2798 120.9238 55.4298 35.6676 175.2222 65 S 4.6075 8.8058 113.7253 56.9008 66.0147 174.1848 66 G 3.7076 8.4351 110.1788 44.1133 0.0000 172.5685 67 P 4.5307 0.0000 0.0000 63.4136 31.4751 176.7007 68 S 4.2055 7.3934 114.6743 59.0979 63.2024 173.3822 69 S 4.5812 8.6872 115.6495 56.7162 65.6875 173.9262 70 G 3.4610 8.8403 110.7931 45.1130 0.0000 173.4820 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 1 G 8.35 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 0.00 0.00 0.00 2 S 8.58 4.31 0.00 3.95 3.81 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 0.00 0.00 0.00 3 S 9.04 4.39 0.00 3.86 3.93 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 4 G 8.69 4.02 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 0.00 0.00 0.00 5 S 9.32 3.66 0.00 4.07 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 6 S 8.54 4.68 0.00 3.88 3.83 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 0.00 0.00 0.00 7 G 7.55 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.54 4.36 0.00 1.93 2.05 0.00 3.32 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 9 S 7.72 3.68 0.00 4.07 4.11 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 0.00 0.00 0.00 10 S 8.11 4.41 0.00 3.98 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 11 R 7.91 3.82 0.00 1.98 1.97 0.00 3.37 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 12 T 7.93 4.32 4.13 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 0.00 0.00 0.00 0.54 0.00 0.00 13 R 8.15 4.43 0.00 1.66 1.71 0.00 3.37 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 14 F 8.76 4.62 0.00 2.97 2.88 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 15 T 8.01 4.67 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 1.40 0.00 0.00 16 D 8.51 4.44 0.00 2.79 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 17 Y 8.17 4.29 0.00 3.00 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 18 Q 7.63 3.36 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 1.82 2.35 0.00 19 L 8.26 3.65 0.00 1.60 1.69 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.17 3.80 0.00 2.06 2.08 0.00 3.29 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 21 V 7.17 3.57 1.91 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 1.00 0.00 0.00 0.94 0.00 0.00 22 L 7.88 3.77 0.00 0.77 0.30 -0.12 0.29 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 23 Q 8.02 4.03 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.36 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 24 D 8.37 4.33 0.00 2.93 2.83 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 0.00 0.00 0.00 25 F 8.62 4.10 0.00 3.32 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 26 F 7.81 4.73 0.00 2.74 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 27 D 8.34 4.55 0.00 2.93 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 28 A 7.33 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.21 4.53 0.00 2.43 2.34 0.00 0.00 7.11 8.45 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 30 A 7.80 4.54 -0.13 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 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.34 5.19 0.00 3.00 2.89 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 0.00 0.00 0.00 32 P 0.00 4.57 0.00 1.86 2.23 0.00 3.97 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.53 0.00 33 K 8.27 4.64 0.00 1.89 1.84 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.55 7.81 34 D 8.63 4.41 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.41 0.00 2.72 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 4.12 0.00 2.17 2.05 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 2.47 2.46 0.00 37 F 8.48 3.46 0.00 3.07 2.97 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 38 E 8.44 3.99 0.00 2.25 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 2.43 2.51 0.00 39 Q 8.19 4.03 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 40 L 7.55 3.94 0.00 1.53 1.48 -0.31 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 41 S 7.93 4.62 0.00 3.91 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 42 N 8.50 4.42 0.00 2.77 2.87 0.00 0.00 7.17 8.02 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 43 L 7.79 4.14 0.00 1.81 1.86 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.23 4.02 0.00 1.62 1.59 0.71 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.46 4.81 0.00 3.08 2.94 0.00 0.00 6.85 7.77 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 46 L 7.53 4.85 0.00 1.71 1.61 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.65 0.00 2.23 2.19 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 48 T 8.90 3.90 4.08 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 1.27 0.00 0.00 49 R 8.10 3.92 0.00 2.09 2.24 0.00 3.06 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 50 V 8.43 3.78 2.38 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 1.36 0.00 0.00 0.99 0.00 0.00 51 I 7.74 3.93 2.11 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 1.50 0.75 0.62 0.00 0.00 52 V 8.47 3.72 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 0.73 0.00 0.00 0.25 0.00 0.00 53 V 7.72 3.75 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 1.02 0.00 0.00 1.08 0.00 0.00 54 W 8.32 4.05 0.00 3.53 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.28 4.45 0.00 3.75 3.50 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 0.00 56 Q 8.77 4.19 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.55 2.72 0.00 57 N 8.05 4.37 0.00 2.53 2.65 0.00 0.00 7.34 7.34 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 58 A 7.33 3.26 0.03 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 0.00 0.00 59 R 7.92 4.18 0.00 2.20 2.17 0.00 3.54 0.00 0.00 3.68 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.29 0.00 60 Q 8.06 4.03 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.02 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 61 K 7.85 4.05 0.00 1.79 1.80 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.16 1.32 7.81 62 A 7.57 4.18 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.46 4.01 0.00 2.03 1.92 0.00 3.17 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 64 K 8.28 4.69 0.00 1.79 1.71 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 65 S 8.81 4.61 0.00 3.79 3.70 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 66 G 8.44 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.53 0.00 2.19 2.18 0.00 3.78 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 1.98 1.95 0.00 68 S 7.39 4.21 0.00 3.97 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 69 S 8.69 4.58 0.00 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.84 3.46 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 0.00