NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4822 8.2649 123.5820 52.2652 21.6749 176.6444 3 K 4.2557 8.4097 120.0508 56.7507 32.4151 176.2087 4 E 4.3713 10.0219 133.8496 54.0571 31.3172 171.8403 5 P 4.1384 0.0000 0.0000 62.8394 31.1008 176.0419 6 C 4.5786 8.2354 123.5553 58.3230 33.8887 173.7982 7 V 4.4863 8.2406 123.9199 60.4370 33.0651 176.8620 8 E 4.0963 8.1912 120.2917 58.5700 28.9755 178.7485 9 S 4.2589 7.8836 113.9115 60.9846 63.6485 175.7838 10 L 4.2086 7.7044 121.8269 57.2787 41.6786 179.4023 11 V 3.1177 7.6884 112.3980 63.7106 31.3648 178.6135 12 S 4.1797 7.5085 112.6203 60.8109 62.8029 176.4956 13 Q 3.9572 7.6221 122.0986 59.2323 28.5248 178.2335 14 Y 4.2942 7.5264 117.5869 59.5359 38.2326 177.5735 15 F 4.7389 7.2906 120.3832 60.8041 38.9439 177.5435 16 Q 4.1138 8.3782 117.6587 59.0620 28.4780 178.8114 17 T 4.2343 7.5279 117.9035 65.9889 68.3015 176.9393 18 V 3.8024 7.7944 120.0371 66.1481 31.4052 178.3120 19 T 3.9660 7.7668 115.6376 66.6122 68.0576 176.5563 20 D 4.4304 8.3737 121.0154 57.2896 40.6770 178.0801 21 Y 4.5336 8.2573 120.4946 60.7467 38.7851 178.4670 22 G 3.4880 7.9423 106.7341 47.4461 0.0000 175.9736 23 K 3.9863 7.7601 120.6477 59.4040 31.9341 179.0959 24 D 4.4782 8.1498 119.1493 57.3763 40.4343 178.9415 25 L 3.8724 7.4698 119.1951 58.1131 41.5985 179.5636 26 M 4.1530 8.0183 118.5269 58.2769 31.7431 178.7117 27 E 3.9900 8.3577 119.0403 59.0941 29.4127 179.0437 28 K 4.1545 7.7067 116.9667 58.1246 32.2580 178.5390 29 V 4.0007 7.0077 116.3067 64.5216 31.7456 177.5314 30 K 4.8813 8.3777 119.9660 58.2691 31.8138 179.5152 31 S 4.0148 7.9083 114.9161 60.9525 62.8256 174.8360 32 P 4.2680 0.0000 0.0000 64.8839 31.5165 177.7642 33 E 4.0891 7.7878 118.7878 58.9468 29.0898 178.6020 34 L 4.3778 7.7619 116.8248 55.8310 44.0540 178.1383 35 Q 4.3913 8.0162 119.3979 56.3684 25.9560 174.2180 36 A 4.8292 7.4312 125.8948 50.4710 22.1232 176.6032 37 E 3.8611 8.7633 112.2052 59.3456 29.6711 179.7011 38 A 3.3364 7.7002 121.8882 54.0563 18.2042 179.2086 39 K 3.7972 7.3411 116.2632 58.2338 31.7877 179.5772 40 S 4.1015 7.2015 115.1003 61.3490 63.3714 175.5272 41 Y 4.4520 6.7114 119.7524 58.0713 38.0983 177.3403 42 F 4.7088 6.8715 119.0408 60.6893 39.0846 176.9427 43 E 4.2616 7.9705 117.0326 59.0011 29.0535 178.3678 44 K 4.8428 7.3651 115.6355 56.4424 32.3172 177.3223 45 S 4.8260 7.7240 111.4080 57.6799 63.8059 174.4168 46 K 4.6085 7.8611 119.7753 56.6967 34.5160 177.6352 47 E 4.1077 8.3541 116.9179 58.6821 29.5092 177.2445 48 Q 4.3030 7.8491 118.1237 57.0818 29.9662 176.7922 49 L 4.1183 7.7102 119.1216 58.3379 42.2579 178.7999 50 T 4.0630 7.7834 115.4415 66.0298 68.5651 174.3515 51 P 4.6305 0.0000 0.0000 63.6474 31.2465 177.5816 52 L 3.9400 7.3435 119.8300 58.5264 41.7814 178.3830 53 I 4.0238 7.6460 119.1012 63.7002 37.4184 177.4962 54 K 4.2834 7.7843 116.9317 57.2655 31.7757 178.6378 55 K 3.9746 7.8834 121.4791 59.1785 32.0541 178.0779 56 A 4.2230 7.8516 119.6204 53.7896 18.0009 179.6063 57 G 3.5465 7.8734 104.3893 47.5439 0.0000 175.0104 58 T 4.3898 7.7471 111.7673 62.6634 68.4790 174.4833 59 E 4.1657 7.8060 120.7542 58.8237 29.7869 177.4762 60 L 4.1903 7.5163 118.2788 57.6939 41.7498 179.6722 61 V 3.6637 8.1059 118.5331 66.1626 31.3111 177.8031 62 N 4.5374 8.1079 114.1621 55.4994 38.6843 176.8934 63 F 4.3953 8.0714 122.4331 61.3572 39.5394 177.2512 64 L 4.3990 8.3407 118.6103 57.7325 41.1528 179.3634 65 S 4.1549 7.5265 111.8240 61.3780 62.0767 175.3091 66 Y 4.5255 7.5249 123.9115 60.1212 38.5044 177.7445 67 F 4.2782 7.4322 118.2244 60.3669 39.1313 177.6775 68 V 3.6470 7.8974 118.2391 65.9165 30.8729 177.9590 69 E 3.9580 7.8546 117.8802 59.2906 29.0622 179.1814 70 L 3.8348 7.2470 117.5500 56.9391 41.6137 178.2803 71 G 4.2053 7.4006 103.6124 45.2639 0.0000 173.5713 72 T 4.5705 7.4773 116.1955 60.6584 69.7142 171.5839 73 Q 4.5831 7.7635 130.4501 56.3662 35.7383 172.3459 74 P 4.9357 0.0000 0.0000 60.6820 29.0839 179.4750 75 A 4.0473 9.1119 133.6745 54.0029 17.3068 180.4663 76 T 4.1320 7.8687 104.8664 63.4525 69.2546 174.6217 77 Q 4.1633 7.3703 121.9239 56.1805 28.6751 174.9427 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 4.48 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 3 K 8.41 4.26 0.00 1.76 1.29 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.58 7.81 4 E 10.02 4.37 0.00 1.91 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 2.19 2.22 0.00 5 P 0.00 4.14 0.00 2.03 2.09 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 6 C 8.24 4.58 0.00 2.98 2.76 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 7 V 8.24 4.49 2.07 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 0.74 0.00 0.00 0.92 0.00 0.00 8 E 8.19 4.10 0.00 2.02 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 2.41 2.36 0.00 9 S 7.88 4.26 0.00 4.01 3.98 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 10 L 7.70 4.21 0.00 1.83 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.69 3.12 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.83 0.00 0.00 12 S 7.51 4.18 0.00 4.09 4.20 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 13 Q 7.62 3.96 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 14 Y 7.53 4.29 0.00 3.14 3.20 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 15 F 7.29 4.74 0.00 2.97 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 16 Q 8.38 4.11 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 17 T 7.53 4.23 4.53 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 1.28 0.00 0.00 18 V 7.79 3.80 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 1.13 0.00 0.00 1.20 0.00 0.00 19 T 7.77 3.97 4.44 0.00 0.00 0.00 0.00 0.00 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 20 D 8.37 4.43 0.00 2.94 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 21 Y 8.26 4.53 0.00 3.15 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 22 G 7.94 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.99 0.00 1.95 1.86 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.73 7.81 24 D 8.15 4.48 0.00 2.78 2.70 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 25 L 7.47 3.87 0.00 1.60 1.55 0.39 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 26 M 8.02 4.15 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 27 E 8.36 3.99 0.00 2.16 1.98 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 2.31 2.57 0.00 28 K 7.71 4.15 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.63 7.81 29 V 7.01 4.00 2.20 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 0.83 0.00 0.00 0.94 0.00 0.00 30 K 8.38 4.88 0.00 1.84 1.83 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.53 7.81 31 S 7.91 4.01 0.00 4.02 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 32 P 0.00 4.27 0.00 2.24 2.22 0.00 3.74 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 2.12 0.00 33 E 7.79 4.09 0.00 2.03 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 0.00 2.33 2.58 0.00 34 L 7.76 4.38 0.00 1.63 1.76 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.02 4.39 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 36 A 7.43 4.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.76 3.86 0.00 1.98 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 2.35 2.32 0.00 38 A 7.70 3.34 0.91 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 39 K 7.34 3.80 0.00 1.62 1.81 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.59 7.81 40 S 7.20 4.10 0.00 4.00 3.89 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 41 Y 6.71 4.45 0.00 3.26 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 42 F 6.87 4.71 0.00 3.18 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 43 E 7.97 4.26 0.00 2.09 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 2.36 2.56 0.00 44 K 7.37 4.84 0.00 1.94 1.87 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.60 7.81 45 S 7.72 4.83 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 46 K 7.86 4.61 0.00 1.76 1.77 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.45 7.81 47 E 8.35 4.11 0.00 2.02 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 2.33 2.62 0.00 48 Q 7.85 4.30 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 49 L 7.71 4.12 0.00 1.69 1.87 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.78 4.06 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 51 P 0.00 4.63 0.00 2.26 2.28 0.00 3.71 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 2.23 2.12 0.00 52 L 7.34 3.94 0.00 1.90 1.86 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.65 4.02 1.87 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 1.64 0.93 0.91 0.00 0.00 54 K 7.78 4.28 0.00 1.84 1.84 0.00 1.56 0.00 0.00 1.98 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.55 7.81 55 K 7.88 3.97 0.00 1.96 1.85 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 A 7.85 4.22 1.34 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 57 G 7.87 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.39 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 1.20 0.00 0.00 59 E 7.81 4.17 0.00 2.03 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 0.00 2.05 2.13 0.00 60 L 7.52 4.19 0.00 1.90 1.80 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.11 3.66 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 1.07 0.00 0.00 1.03 0.00 0.00 62 N 8.11 4.54 0.00 2.87 2.89 0.00 0.00 6.84 7.45 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 63 F 8.07 4.40 0.00 3.31 3.25 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 0.00 0.00 0.00 0.00 64 L 8.34 4.40 0.00 1.91 1.83 1.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.53 4.15 0.00 3.92 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 0.00 66 Y 7.52 4.53 0.00 2.73 2.48 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 0.00 67 F 7.43 4.28 0.00 3.26 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 68 V 7.90 3.65 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 1.04 0.00 0.00 1.06 0.00 0.00 69 E 7.85 3.96 0.00 2.04 1.90 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 2.32 2.55 0.00 70 L 7.25 3.83 0.00 1.84 1.67 0.30 0.73 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 71 G 7.40 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.48 4.57 4.40 0.00 0.00 0.00 0.00 0.00 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 73 Q 7.76 4.58 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.04 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 74 P 0.00 4.94 0.00 2.20 1.29 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 75 A 9.11 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.87 4.13 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 77 Q 7.37 4.16 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00