NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1789 8.2549 117.2633 54.7178 31.0635 174.8370 2 P 3.9580 0.0000 0.0000 60.7780 31.9057 176.2457 3 D 4.3235 8.4109 122.4022 56.5466 40.1519 178.5216 4 F 4.3707 7.7745 115.1049 59.4466 37.6480 177.7304 5 C 4.6561 7.3089 115.9111 59.0641 40.0473 174.7029 6 L 4.2962 7.6664 118.6647 54.1753 42.1071 176.6507 7 E 4.3177 7.3653 119.2986 54.8926 30.2441 175.0346 8 P 4.4964 0.0000 0.0000 61.4773 32.1874 174.4141 9 P 3.6072 0.0000 0.0000 62.9053 31.2612 175.1526 10 Y 4.6275 7.9657 122.3910 56.0559 39.7542 175.3016 11 T 4.1591 8.2673 125.5695 64.9955 68.8404 176.1373 12 G 3.7491 6.8433 104.6850 44.1021 0.0000 171.3386 13 P 4.3140 0.0000 0.0000 64.8623 32.1256 177.8653 14 C 4.4821 7.8745 116.5180 56.9764 40.6820 173.5337 15 K 4.5138 8.2109 119.6462 56.2366 32.1084 176.5696 16 A 4.2612 7.9663 122.2976 51.5381 20.5154 177.5757 17 R 4.5334 8.3539 118.7662 54.3539 31.1445 173.1119 18 I 4.4760 8.3424 125.1134 58.8463 40.1840 174.6979 19 I 4.2318 8.3322 128.6020 61.1934 37.7555 175.5457 20 R 4.7116 8.2878 124.9443 54.6259 34.9476 173.6241 21 Y 5.7400 9.5777 118.1293 56.8000 40.6092 175.2351 22 F 5.7761 9.7076 116.9823 55.5837 41.9478 172.6574 23 Y 4.3472 9.9677 122.3789 57.0274 40.0415 173.9218 24 N 4.4707 8.2815 126.8791 51.7883 38.6369 175.0133 25 A 3.8205 8.5342 129.0891 54.8736 18.8761 178.5753 26 K 3.8855 8.2920 115.0834 59.2543 32.1217 177.1839 27 A 4.2925 7.7907 118.5454 51.3593 19.4570 176.9616 28 G 3.8051 8.1811 103.9440 45.3360 0.0000 173.1523 29 L 4.5200 6.7473 118.6800 53.6007 46.0856 174.3332 30 C 4.9661 8.5456 119.9365 56.3550 39.7086 173.0587 31 Q 4.8560 8.5868 121.8155 54.5891 33.2769 173.9141 32 T 5.3340 8.5744 109.7921 60.9081 71.2235 173.6102 33 F 4.9536 8.7524 116.7420 55.8678 42.1401 173.0751 34 V 4.1877 8.3352 119.6324 62.0697 32.0826 174.2420 35 Y 4.6634 8.7566 130.4942 56.2657 39.9888 176.6397 36 G 3.7736 8.3084 113.6548 46.6708 0.0000 174.9363 37 G 3.7551 6.0208 106.4923 45.4202 0.0000 172.3032 38 C 4.8915 7.0348 112.1791 54.6717 44.7777 173.1938 39 R 3.7508 8.7497 116.2979 57.3003 27.1831 176.8463 40 A 4.3734 8.1051 118.5049 52.2953 19.3148 177.8985 41 K 4.4032 8.1969 120.0328 54.6051 34.1568 177.3125 42 R 3.5220 8.0869 118.2810 59.0973 30.3605 177.7188 43 N 4.7894 7.7736 117.7500 51.5805 37.5230 174.3486 44 N 5.1128 6.5886 116.5473 52.5643 42.0343 173.1180 45 F 5.0294 9.7295 124.5322 55.7159 42.4968 176.1608 46 K 4.4957 8.9046 121.9492 57.7035 32.7508 177.5815 47 S 4.6809 7.7949 113.0368 55.8537 66.8444 174.8357 48 A 3.3062 7.4928 125.3763 54.7747 18.0075 179.9535 49 E 3.7631 7.8082 115.6561 59.8953 29.6691 179.0611 50 D 4.2707 7.7695 120.1060 56.7038 40.7534 178.0963 51 C 2.4500 7.5989 118.3964 59.3853 43.3796 175.5825 52 M 3.8632 8.0234 120.6592 58.1957 31.2476 178.8064 53 R 3.7819 7.7709 118.1126 59.6992 30.3635 178.5116 54 T 4.0994 7.5477 114.2201 66.1662 68.7278 175.4808 55 C 4.5371 7.8740 114.9740 56.2050 41.0883 174.2290 56 G 3.6120 7.8577 115.5553 45.6578 0.0000 173.5315 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 R 8.25 4.18 0.00 1.70 1.85 0.00 2.92 0.00 0.00 2.98 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 2 P 0.00 3.96 0.00 1.11 1.47 0.00 3.29 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 1.91 1.98 0.00 3 D 8.41 4.32 0.00 2.86 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 4 F 7.77 4.37 0.00 3.29 3.39 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 5 C 7.31 4.66 0.00 2.93 3.11 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 6 L 7.67 4.30 0.00 1.74 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.37 4.32 0.00 2.17 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 0.00 2.42 2.45 0.00 8 P 0.00 4.50 0.00 2.13 2.05 0.00 3.80 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 1.96 0.00 9 P 0.00 3.61 0.00 0.66 0.49 0.00 3.44 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.00 10 Y 7.97 4.63 0.00 2.81 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 11 T 8.27 4.16 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 1.17 0.00 0.00 12 G 6.84 3.75 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 0.00 0.00 0.00 13 P 0.00 4.31 0.00 2.17 2.19 0.00 3.78 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 1.97 2.02 0.00 14 C 7.87 4.48 0.00 2.83 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.51 0.00 1.66 1.73 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.33 7.81 16 A 7.97 4.26 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 17 R 8.35 4.53 0.00 1.72 1.76 0.00 3.31 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 18 I 8.34 4.48 2.00 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 1.20 0.59 0.96 0.00 0.00 19 I 8.33 4.23 1.76 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 1.25 0.39 0.69 0.00 0.00 20 R 8.29 4.71 0.00 1.02 1.85 0.00 3.44 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 21 Y 9.58 5.74 0.00 3.24 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 22 F 9.71 5.78 0.00 3.25 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 23 Y 9.97 4.35 0.00 3.08 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 24 N 8.28 4.47 0.00 2.15 2.42 0.00 0.00 6.63 8.35 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 25 A 8.53 3.82 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.29 3.89 0.00 1.73 2.06 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 27 A 7.79 4.29 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 29 L 6.75 4.52 0.00 1.64 1.31 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.55 4.97 0.00 2.85 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 31 Q 8.59 4.86 0.00 1.83 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 32 T 8.57 5.33 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 0.67 0.00 0.00 33 F 8.75 4.95 0.00 2.96 2.92 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 34 V 8.34 4.19 2.06 0.00 0.00 0.00 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 0.89 0.00 0.00 35 Y 8.76 4.66 0.00 2.48 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 36 G 8.31 3.77 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 0.00 0.00 0.00 37 G 6.02 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.03 4.89 0.00 3.05 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 39 R 8.75 3.75 0.00 2.14 2.19 0.00 3.25 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 A 8.11 4.37 0.93 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 0.00 0.00 41 K 8.20 4.40 0.00 1.73 1.67 0.00 1.45 0.00 0.00 1.48 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.13 7.81 42 R 8.09 3.52 0.00 1.06 0.66 0.00 2.38 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.00 43 N 7.77 4.79 0.00 3.19 2.88 0.00 0.00 6.67 7.79 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 44 N 6.59 5.11 0.00 2.63 2.51 0.00 0.00 7.08 7.02 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 45 F 9.73 5.03 0.00 3.29 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 46 K 8.90 4.50 0.00 1.85 1.95 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 47 S 7.79 4.68 0.00 4.22 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.49 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.81 3.76 0.00 2.10 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 0.00 2.29 2.30 0.00 50 D 7.77 4.27 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.60 2.45 0.00 2.65 2.98 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 52 M 8.02 3.86 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 53 R 7.77 3.78 0.00 1.78 2.02 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 54 T 7.55 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 1.60 0.00 0.00 55 C 7.87 4.54 0.00 2.64 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 0.00 0.00 0.00 0.00 56 G 7.86 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00