NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3521 8.2649 123.5870 51.9352 19.9553 176.6434 3 R 4.2443 7.4084 122.2802 54.0776 32.2018 176.4308 4 K 3.7677 9.2947 124.0476 59.9174 32.9946 178.6053 5 A 4.1600 8.0789 118.7028 54.1796 18.3376 177.5906 6 L 4.9046 8.4265 115.1610 54.4889 42.5685 176.9493 7 I 4.5798 8.4019 117.2150 61.0961 37.7380 176.0585 8 E 4.3080 8.0333 117.6410 56.4502 30.1302 178.1060 9 K 3.8330 7.9052 121.7421 59.4822 32.3185 178.2895 10 A 4.1373 7.2448 118.4176 52.4570 17.8530 176.7868 11 K 4.1715 8.3710 121.9086 56.6119 31.9607 177.2619 12 R 4.1719 8.5759 124.9496 57.3310 30.2782 176.6429 13 T 4.6894 7.2633 111.4021 62.1934 68.4800 172.8252 14 P 4.2760 0.0000 0.0000 64.2157 32.1617 177.5026 15 K 3.9388 9.4816 118.0481 56.1153 31.2621 175.9156 16 F 4.8349 7.7296 115.1201 55.9831 42.9704 175.0185 17 K 4.0344 8.9797 124.5801 59.8324 32.6039 179.1999 18 V 3.6089 8.1852 112.3611 64.7397 31.4096 177.0143 19 R 4.4477 8.0102 115.3963 56.4456 29.9789 177.9666 20 A 4.3343 7.8806 123.8771 51.3569 16.4172 176.5729 21 Y 4.6316 7.4518 118.8838 54.9761 39.9468 176.9991 22 T 4.1617 8.4780 120.0098 64.1292 69.3389 173.0456 23 R 4.5645 7.7412 119.1420 55.6323 33.9754 174.4405 24 C 4.4839 7.8993 118.4895 59.0350 31.8354 175.0900 25 V 3.6980 9.0377 128.0563 64.0437 31.1989 176.9771 26 R 4.3862 8.0512 119.0572 56.8092 31.1751 176.0721 27 C 4.5185 8.3249 110.3918 57.4488 31.3836 174.7706 28 G 3.9432 7.9983 106.9261 44.9357 0.0000 173.9486 29 R 4.0927 7.8253 120.8684 55.7581 28.1820 176.1826 30 A 4.1490 8.5488 126.0002 54.5840 18.6211 178.7175 31 R 4.3643 7.8047 109.9387 55.9560 31.0268 175.4409 32 S 3.7111 8.4378 110.2004 59.4771 61.6428 172.3789 33 V 4.5721 7.8694 114.6422 61.2638 30.5793 175.9173 34 Y 4.3886 9.2448 124.0032 58.2550 38.9115 176.8803 35 R 4.3378 8.7230 117.1012 58.4509 31.5903 179.7742 36 F 4.2515 8.3717 114.3494 58.3587 38.9224 174.7899 37 F 4.7805 9.7780 118.5132 56.5156 46.2822 175.5461 38 G 4.0615 7.9816 108.8371 46.1248 0.0000 172.8245 39 L 5.0801 7.5832 117.7732 52.4862 44.7582 175.7062 40 C 4.9875 8.2693 115.5611 56.9002 29.7693 174.8379 41 R 3.6781 8.7673 119.4966 59.6959 28.5533 178.8213 42 I 3.6719 7.6179 120.4475 64.1382 37.4116 177.5453 43 C 4.0677 7.9170 114.6735 61.1583 29.3673 175.0970 44 L 3.7059 7.5948 122.8497 58.2425 41.6201 179.2195 45 R 3.7699 7.2474 117.2919 59.1726 29.9418 178.2065 46 E 3.9631 8.0355 118.5066 59.3676 29.4500 179.2012 47 L 3.9293 8.7106 119.2078 57.9921 41.5936 179.2761 48 A 3.9221 8.1855 119.3948 55.9143 18.1929 179.1550 49 H 4.4116 7.8256 113.1461 58.8960 28.9500 177.9289 50 K 4.1668 7.9457 119.0317 57.7729 31.9448 178.3272 51 G 4.0106 8.4228 108.2918 45.2848 0.0000 174.8651 52 Q 4.1332 7.8836 116.6369 56.9925 28.1360 175.8311 53 L 4.6789 7.5582 120.0941 51.8695 42.3446 174.1938 54 P 4.4374 0.0000 0.0000 63.7947 32.0120 176.0604 55 G 4.3412 8.9996 114.2711 45.9980 0.0000 174.5867 56 V 3.5842 6.7842 118.7546 63.3550 31.7488 174.9204 57 R 4.5619 8.0368 124.8734 54.6392 33.1292 174.2304 58 K 4.1162 8.4813 120.3020 55.6365 31.7365 177.4142 59 A 4.3482 8.5584 127.4089 52.3245 19.1187 176.4620 60 S 4.7893 8.0984 110.8845 57.6543 65.0258 176.5483 61 W 4.1144 8.5579 118.9173 57.5769 27.2033 174.1442 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 A 8.26 4.35 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 3 R 7.41 4.24 0.00 1.99 1.86 0.00 3.17 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 4 K 9.29 3.77 0.00 1.79 1.90 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.43 7.81 5 A 8.08 4.16 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 6 L 8.43 4.90 0.00 1.72 1.73 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.40 4.58 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 1.40 1.04 0.93 0.00 0.00 8 E 8.03 4.31 0.00 2.19 2.18 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 2.41 2.38 0.00 9 K 7.91 3.83 0.00 1.34 1.61 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.98 0.22 7.81 10 A 7.24 4.14 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 11 K 8.37 4.17 0.00 2.06 1.63 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.35 7.81 12 R 8.58 4.17 0.00 1.79 1.88 0.00 3.37 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 13 T 7.26 4.69 4.22 0.00 0.00 0.00 0.00 0.00 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 14 P 0.00 4.28 0.00 2.37 2.18 0.00 3.80 0.00 0.00 3.70 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 15 K 9.48 3.94 0.00 1.70 2.30 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.01 7.81 16 F 7.73 4.83 0.00 3.13 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.98 4.03 0.00 1.97 2.13 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.53 7.81 18 V 8.19 3.61 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 0.73 0.00 0.00 1.00 0.00 0.00 19 R 8.01 4.45 0.00 1.95 2.09 0.00 3.34 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 20 A 7.88 4.33 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 Y 7.45 4.63 0.00 3.05 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 22 T 8.48 4.16 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 1.29 0.00 0.00 23 R 7.74 4.56 0.00 1.79 1.85 0.00 3.31 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 24 C 7.90 4.48 0.00 3.01 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 25 V 9.04 3.70 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 0.81 0.00 0.00 0.95 0.00 0.00 26 R 8.05 4.39 0.00 1.80 1.99 0.00 3.20 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 27 C 8.32 4.52 0.00 3.10 3.02 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 28 G 8.00 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 0.00 0.00 0.00 29 R 7.83 4.09 0.00 1.93 1.91 0.00 3.30 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 30 A 8.55 4.15 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 31 R 7.80 4.36 0.00 1.95 1.94 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 32 S 8.44 3.71 0.00 4.30 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 0.00 33 V 7.87 4.57 2.21 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 0.89 0.00 0.00 1.09 0.00 0.00 34 Y 9.24 4.39 0.00 3.27 3.23 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 35 R 8.72 4.34 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 36 F 8.37 4.25 0.00 2.98 2.93 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 37 F 9.78 4.78 0.00 3.20 3.06 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 38 G 7.98 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 0.00 0.00 0.00 39 L 7.58 5.08 0.00 1.89 1.50 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.27 4.99 0.00 3.14 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 41 R 8.77 3.68 0.00 2.12 2.57 0.00 2.82 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 42 I 7.62 3.67 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.72 0.94 0.00 0.00 43 C 7.92 4.07 0.00 3.11 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 44 L 7.59 3.71 0.00 1.28 1.33 -0.13 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.25 3.77 0.00 1.85 1.97 0.00 3.15 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 46 E 8.04 3.96 0.00 2.12 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 2.33 2.35 0.00 47 L 8.71 3.93 0.00 1.58 1.71 0.93 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.19 3.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.83 4.41 0.00 3.49 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.95 4.17 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.46 7.81 51 G 8.42 4.01 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 0.00 0.00 0.00 52 Q 7.88 4.13 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 L 7.56 4.68 0.00 1.72 1.77 0.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.44 0.00 2.21 2.09 0.00 3.94 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 55 G 9.00 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 0.00 0.00 0.00 0.00 56 V 6.78 3.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.25 0.00 0.00 57 R 8.04 4.56 0.00 1.90 1.75 0.00 3.30 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 1.53 1.67 0.00 58 K 8.48 4.12 0.00 1.82 1.81 0.00 1.85 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.41 7.81 59 A 8.56 4.35 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 60 S 8.10 4.79 0.00 4.00 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 61 W 8.56 4.11 0.00 3.34 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