NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7560 8.0033 119.0425 56.9439 39.9934 173.6936 3 F 4.8964 8.9331 118.8463 55.8509 41.0307 172.1270 4 E 4.8442 9.9475 122.7880 55.0292 33.2299 173.5977 5 I 5.2204 8.7825 128.1499 60.1014 39.2346 174.4871 6 Y 5.0648 8.6386 123.7166 55.9206 42.3180 173.1120 7 K 4.8962 8.8222 120.7080 54.7995 34.0843 175.8903 8 D 4.8420 8.4326 127.9779 52.5414 41.6815 176.3982 9 A 4.0776 8.4916 120.4424 55.3770 18.5365 179.0103 10 K 4.0486 8.0344 113.1752 57.3106 32.3623 177.8070 11 G 3.7987 8.0334 107.1022 45.2324 0.0000 172.8235 12 E 4.5598 8.1257 116.7739 54.1595 33.0925 174.7098 13 Y 5.0703 8.1991 118.0586 57.7987 40.0723 174.7817 14 R 5.1971 8.5791 117.6270 55.0883 33.2750 173.4951 15 W 5.9187 8.6792 116.0706 54.0299 31.7244 174.4074 16 R 4.7661 8.8331 115.9803 54.6998 33.0398 173.2502 17 L 4.5435 9.1978 123.9410 53.6422 43.6555 175.0150 18 K 4.8667 7.7530 125.9214 54.3769 34.2542 177.0532 19 A 4.1825 8.4096 127.2322 51.4240 19.6615 177.7977 20 A 4.0822 8.5434 119.6942 55.0888 18.4687 178.1128 21 N 4.8405 8.1194 111.5515 52.8803 37.9809 174.6824 22 H 4.0640 7.7016 112.8775 58.0513 26.9140 174.8379 23 E 4.5661 7.6401 118.6277 53.8630 32.0216 174.5151 24 I 4.1523 8.4693 127.6367 61.8439 37.2605 175.5531 25 I 4.5034 8.2731 118.3299 60.3435 39.0017 175.5807 26 A 4.3645 7.5273 121.9305 51.5936 22.1871 175.4502 27 Q 4.5138 8.8203 121.8136 54.1704 31.5278 174.8301 28 G 3.5014 7.1932 106.1711 44.0097 0.0000 171.9067 29 E 4.1715 8.5838 120.0148 55.6166 30.3357 176.4850 30 G 3.8836 7.7389 108.7262 44.2385 0.0000 172.2388 31 Y 4.8299 8.4147 114.8862 56.6495 41.9818 176.1784 32 T 3.7945 8.7643 117.1430 64.6717 67.6352 174.9784 33 S 4.9685 7.7766 114.2123 56.5731 65.8723 174.3132 34 K 3.6444 8.2969 119.4712 58.6035 31.8472 178.3253 35 Q 3.8306 7.8436 119.6980 59.3040 29.1559 177.8035 36 N 4.2469 7.8550 117.3755 56.2524 38.5405 177.0506 37 C 3.2090 7.3121 120.5160 62.1401 31.7283 175.4259 38 Q 3.8420 7.7916 120.9079 59.1501 28.6117 177.6357 39 H 4.0538 7.9649 118.9239 58.9486 29.8864 177.0698 40 A 3.7527 7.4545 122.1500 55.1093 18.2063 179.7751 41 V 2.7321 7.1523 116.1331 65.9268 31.2413 177.9962 42 D 4.1727 7.4309 117.4680 57.2011 40.7664 178.4776 43 L 4.0072 7.5730 119.4321 57.5576 41.7060 179.4685 44 L 3.8831 7.6005 119.2135 57.5762 41.3753 179.5287 45 K 4.2349 7.6711 116.8031 58.8000 32.8101 178.3335 46 S 4.3899 7.3478 113.9197 58.6084 63.6253 174.4741 47 T 4.1590 6.8307 119.2444 63.8211 69.1358 173.2903 48 T 4.6663 8.1421 116.2724 59.8542 70.7008 174.7083 49 A 4.0486 8.6316 126.5528 54.4301 18.4510 178.7108 50 A 4.1606 7.8497 117.6270 54.2665 19.0974 177.8531 51 T 3.8065 7.7086 112.9015 63.3608 68.7171 172.3838 52 P 4.4305 0.0000 0.0000 62.8621 31.8658 175.8108 53 V 4.3914 8.0516 117.7667 61.1342 34.0687 174.6977 54 K 4.7537 8.6653 125.9296 54.3190 35.1853 175.1364 55 E 4.6792 8.4451 118.9097 54.3871 32.0735 175.9465 56 V 4.0592 8.2162 121.7344 62.4284 32.7730 175.6455 57 L 4.1640 8.0687 123.0358 56.2148 40.0344 175.4425 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 2 Y 8.00 4.76 0.00 3.13 3.16 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 3 F 8.93 4.90 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 4 E 9.95 4.84 0.00 2.11 1.93 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 2.41 2.52 0.00 5 I 8.78 5.22 1.96 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 1.57 0.89 0.93 0.00 0.00 6 Y 8.64 5.06 0.00 3.13 3.13 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 7 K 8.82 4.90 0.00 1.65 1.78 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.01 7.81 8 D 8.43 4.84 0.00 2.96 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 9 A 8.49 4.08 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 10 K 8.03 4.05 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 11 G 8.03 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.13 4.56 0.00 2.18 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 2.18 2.14 0.00 13 Y 8.20 5.07 0.00 3.07 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 14 R 8.58 5.20 0.00 1.74 1.83 0.00 2.51 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.05 0.00 15 W 8.68 5.92 0.00 3.73 3.35 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 16 R 8.83 4.77 0.00 1.84 2.08 0.00 2.93 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.68 0.00 17 L 9.20 4.54 0.00 1.83 1.51 0.79 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.75 4.87 0.00 0.79 1.19 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.19 7.81 19 A 8.41 4.18 1.28 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 0.00 0.00 20 A 8.54 4.08 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 21 N 8.12 4.84 0.00 2.88 2.94 0.00 0.00 6.09 7.90 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 22 H 7.70 4.06 0.00 3.27 3.50 0.00 5.79 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.64 4.57 0.00 1.95 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 24 I 8.47 4.15 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.60 0.86 0.00 0.00 25 I 8.27 4.50 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.68 0.88 0.00 0.00 26 A 7.53 4.36 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 27 Q 8.82 4.51 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 28 G 7.19 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 0.00 0.00 0.00 29 E 8.58 4.17 0.00 1.83 1.66 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 2.21 2.25 0.00 30 G 7.74 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 31 Y 8.41 4.83 0.00 3.16 2.86 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 32 T 8.76 3.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 33 S 7.78 4.97 0.00 4.09 4.06 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 0.00 0.00 0.00 0.00 34 K 8.30 3.64 0.00 0.79 1.49 0.00 1.47 0.00 0.00 1.31 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.16 0.80 7.81 35 Q 7.84 3.83 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 36 N 7.86 4.25 0.00 2.67 2.73 0.00 0.00 6.73 8.50 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 37 C 7.31 3.21 0.00 3.07 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 38 Q 7.79 3.84 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 39 H 7.96 4.05 0.00 3.20 3.30 0.00 5.84 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 40 A 7.45 3.75 1.15 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 0.00 0.00 0.00 0.00 0.00 41 V 7.15 2.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.55 0.00 0.00 42 D 7.43 4.17 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.01 0.00 1.68 1.58 0.72 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.60 3.88 0.00 1.44 1.53 0.18 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 4.23 0.00 1.94 1.95 0.00 1.31 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.36 7.81 46 S 7.35 4.39 0.00 3.96 4.10 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 47 T 6.83 4.16 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 T 8.14 4.67 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 1.26 0.00 0.00 49 A 8.63 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.85 4.16 1.29 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 0.00 0.00 0.00 51 T 7.71 3.81 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 1.21 0.00 0.00 52 P 0.00 4.43 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 V 8.05 4.39 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 0.87 0.00 0.00 0.94 0.00 0.00 54 K 8.67 4.75 0.00 1.74 1.66 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.38 7.81 55 E 8.45 4.68 0.00 2.03 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 2.16 2.25 0.00 56 V 8.22 4.06 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 0.85 0.00 0.00 0.94 0.00 0.00 57 L 8.07 4.16 0.00 1.72 1.55 0.92 0.53 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