NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3493 8.2993 120.1342 55.4099 34.5309 175.2380 3 S 4.5263 7.6034 115.1921 56.5372 66.4673 173.3482 4 L 4.1110 8.7149 121.7557 57.4991 42.4939 178.7545 5 G 4.2586 7.6355 104.2872 44.0644 0.0000 171.4973 6 R 4.5691 8.3996 117.9504 54.2703 32.5958 175.1325 7 H 4.7852 8.7314 121.4392 54.2784 31.8380 172.3747 8 L 4.3201 8.6542 127.6084 53.4684 42.1685 176.4829 9 V 4.0345 8.2779 124.3236 61.2312 31.5489 174.4379 10 A 4.8178 8.2847 129.8038 50.1614 21.4221 174.9746 11 E 4.4214 8.7183 120.3473 54.4682 31.3420 175.5734 12 F 4.8575 8.4565 122.8049 55.8458 40.8150 174.7947 13 Y 4.8882 8.1611 122.2281 56.9415 40.9646 174.6282 14 E 3.8155 8.8703 118.1458 57.7372 27.1240 174.8426 15 C 4.3672 7.9490 114.4451 58.9065 29.6607 174.0421 16 D 4.4832 8.4344 119.6567 54.1576 40.8442 176.5766 17 R 4.0107 8.6111 127.3685 59.2090 30.2223 178.5444 18 E 4.1444 8.2670 118.2483 59.2741 29.6068 179.1276 19 V 3.6213 7.8721 117.9914 66.0439 31.3956 178.1093 20 L 4.1430 7.7683 117.0805 56.9000 41.4379 177.9113 21 D 5.0722 7.5914 115.8114 53.2449 41.9118 176.2101 22 N 4.7558 7.8326 118.3829 52.0681 39.1119 175.0896 23 V 3.6529 8.1293 128.6732 64.7064 31.5357 178.2283 24 Q 3.8451 8.0125 118.1053 58.5645 28.5995 178.2143 25 L 3.8731 8.3283 121.4004 58.1437 42.0679 178.9102 26 I 3.6480 7.8657 119.9252 64.4050 37.0775 177.9472 27 E 2.5400 7.6288 119.9067 58.7049 29.3918 178.5498 28 Q 3.8413 7.7380 119.4665 59.4170 29.1180 178.3211 29 E 4.0343 8.3932 119.7460 59.5495 29.4453 179.2783 30 M 4.1701 8.3682 119.2827 58.2693 32.0329 178.9559 31 K 4.0946 8.1436 118.8419 59.3078 32.2021 179.2756 32 Q 4.0069 8.1346 119.6335 59.0635 28.9915 178.0120 33 A 4.0774 8.3059 121.7239 55.1259 18.2889 179.4225 34 A 3.9859 8.1308 119.3400 55.4521 18.4648 179.2876 35 Y 4.0409 8.0839 118.0360 61.0029 38.7128 178.0954 36 E 3.9963 8.6812 118.9460 59.1110 29.6088 179.0270 37 S 4.3213 7.9423 113.3167 59.5337 63.3885 175.2737 38 G 3.7877 7.6670 109.6897 44.6774 0.0000 173.2940 39 A 4.3970 7.2139 121.1602 51.7152 19.8805 177.4410 40 T 4.4335 8.8923 117.0877 62.6632 70.5721 174.2374 41 I 4.3110 8.3002 126.4822 60.9992 37.6022 175.4765 42 V 4.0440 8.9034 128.2996 65.0931 32.0386 175.9467 43 T 4.8517 7.5570 114.7482 62.3886 73.3138 172.2615 44 S 5.2374 8.4417 116.8091 57.3475 66.0574 173.3178 45 T 4.6731 8.7450 120.7517 61.2395 70.8304 172.1095 46 F 5.2270 9.0412 127.1400 55.8942 42.5298 173.6935 47 H 4.7308 9.3664 123.5433 54.2672 32.4074 172.8384 48 R 4.7401 8.0311 125.7841 54.9135 30.6847 175.5196 49 F 4.7377 9.1652 126.1538 56.7725 40.3590 175.5061 50 L 4.8898 8.4690 120.2946 52.3022 44.3547 175.4974 51 P 4.3111 0.0000 0.0000 64.7552 31.7402 175.7384 52 Y 4.9671 7.2299 115.1514 56.4273 40.5289 172.8563 53 G 4.2368 8.2885 107.7514 43.8106 0.0000 173.1593 54 V 5.0908 8.2753 121.8117 61.2118 34.5849 174.4399 55 S 5.0003 9.2143 123.7516 57.0150 65.8138 173.3947 56 G 3.3078 8.1634 108.7315 44.8019 0.0000 172.4157 57 V 4.3519 7.3954 121.4716 60.8133 35.4425 174.1501 58 V 4.5455 8.2897 126.8078 60.9404 33.5988 174.7238 59 V 3.9545 8.5869 129.9280 62.7299 32.5199 175.0723 60 I 5.4793 8.0716 121.1504 59.0317 41.0938 173.6017 61 S 4.4708 8.8778 115.3054 58.7957 65.4759 177.1508 62 E 4.1020 8.7004 117.0651 56.7819 31.0721 175.2405 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 K 8.30 4.35 0.00 1.74 1.76 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 S 7.60 4.53 0.00 4.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.71 4.11 0.00 1.66 1.77 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 5 G 7.64 4.26 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 0.00 6 R 8.40 4.57 0.00 1.78 1.84 0.00 3.16 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 7 H 8.73 4.79 0.00 3.02 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.65 4.32 0.00 1.70 1.63 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.28 4.03 2.02 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 0.76 0.00 0.00 0.71 0.00 0.00 10 A 8.28 4.82 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 11 E 8.72 4.42 0.00 1.78 1.25 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 2.21 2.31 0.00 12 F 8.46 4.86 0.00 2.74 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 13 Y 8.16 4.89 0.00 2.94 2.80 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 14 E 8.87 3.82 0.00 2.14 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 2.25 2.37 0.00 15 C 7.95 4.37 0.00 3.02 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 D 8.43 4.48 0.00 2.73 2.61 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 17 R 8.61 4.01 0.00 1.82 1.99 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 18 E 8.27 4.14 0.00 2.16 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 2.41 2.32 0.00 19 V 7.87 3.62 2.27 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 1.06 0.00 0.00 0.98 0.00 0.00 20 L 7.77 4.14 0.00 1.85 1.76 0.94 0.95 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 21 D 7.59 5.07 0.00 2.65 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 22 N 7.83 4.76 0.00 2.96 2.83 0.00 0.00 6.94 7.87 0.00 0.00 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 V 8.13 3.65 2.12 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 0.79 0.00 0.00 1.01 0.00 0.00 24 Q 8.01 3.85 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 25 L 8.33 3.87 0.00 1.81 1.80 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.87 3.65 1.88 0.00 0.00 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 1.74 0.90 1.11 0.00 0.00 27 E 7.63 2.54 0.00 1.18 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.50 0.00 28 Q 7.74 3.84 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 29 E 8.39 4.03 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 30 M 8.37 4.17 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.97 0.00 31 K 8.14 4.09 0.00 1.93 1.85 0.00 1.59 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 32 Q 8.13 4.01 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 33 A 8.31 4.08 1.44 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 0.00 0.00 0.00 34 A 8.13 3.99 1.48 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 0.00 0.00 35 Y 8.08 4.04 0.00 3.18 3.21 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 36 E 8.68 4.00 0.00 2.11 2.02 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 2.45 2.74 0.00 37 S 7.94 4.32 0.00 4.04 4.07 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 38 G 7.67 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.21 4.40 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 40 T 8.89 4.43 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 1.28 0.00 0.00 41 I 8.30 4.31 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.95 0.00 0.00 42 V 8.90 4.04 2.23 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 0.75 0.00 0.00 0.90 0.00 0.00 43 T 7.56 4.85 4.25 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 1.22 0.00 0.00 44 S 8.44 5.24 0.00 3.93 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 45 T 8.75 4.67 4.25 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 1.14 0.00 0.00 46 F 9.04 5.23 0.00 2.86 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 47 H 9.37 4.73 0.00 3.05 2.88 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.03 4.74 0.00 1.80 1.71 0.00 3.36 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 49 F 9.17 4.74 0.00 3.20 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 50 L 8.47 4.89 0.00 1.61 1.51 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.31 0.00 1.58 1.87 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.36 0.00 52 Y 7.23 4.97 0.00 3.01 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 53 G 8.29 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 0.00 0.00 0.00 54 V 8.28 5.09 2.31 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 1.05 0.00 0.00 1.05 0.00 0.00 55 S 9.21 5.00 0.00 4.15 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 56 G 8.16 3.31 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 0.00 57 V 7.40 4.35 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 0.84 0.00 0.00 0.78 0.00 0.00 58 V 8.29 4.55 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 0.92 0.00 0.00 1.16 0.00 0.00 59 V 8.59 3.95 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 0.98 0.00 0.00 0.91 0.00 0.00 60 I 8.07 5.48 1.94 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 1.03 1.41 0.93 0.00 0.00 61 S 8.88 4.47 0.00 3.88 3.99 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 62 E 8.70 4.10 0.00 2.17 2.23 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 2.22 2.30 0.00