NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4103 8.3344 115.4126 58.1237 63.1131 172.5305 3 I 4.3329 7.7657 122.5219 57.1187 40.0637 175.0480 4 S 4.1874 8.9697 122.0713 60.7044 64.0868 174.0064 5 A 4.0002 7.1914 122.6691 52.5356 17.9872 177.5198 6 R 4.1376 8.6028 121.6242 57.4786 30.9222 176.0270 7 N 4.8727 7.8615 117.0554 51.7348 40.4549 174.3178 8 Q 4.6294 8.6418 122.6927 54.4442 32.0427 174.0781 9 L 4.6681 9.1433 125.4861 52.6258 43.7758 176.5072 10 K 4.4666 8.7588 124.1247 56.5535 33.3031 176.4862 11 G 4.2928 9.1662 110.4074 45.4665 0.0000 171.4032 12 K 5.2331 8.7528 118.3785 54.5418 35.9016 176.0310 13 V 4.2320 8.9568 123.7683 63.3985 32.2022 176.3892 14 V 4.4912 8.4782 119.6706 59.9521 33.3300 175.7499 15 G 4.2913 7.7952 106.9280 44.8113 0.0000 172.3360 16 L 5.1029 8.2652 124.7292 53.5143 45.4623 174.5175 17 K 4.5622 9.3468 127.5282 54.6966 35.2457 174.6271 18 K 4.7009 8.8853 126.9780 54.9077 33.5973 176.8693 19 G 4.2481 8.6590 115.2190 45.2155 0.0000 173.5247 20 V 4.0053 8.4680 118.1378 64.1187 32.9981 177.6914 21 V 4.0133 7.7657 118.3903 63.8733 32.4713 174.6697 22 T 5.2227 7.5023 107.8153 59.9838 72.4998 172.4434 23 A 4.9970 8.8302 121.2818 50.6971 23.2679 174.6653 24 E 5.0327 9.2603 121.4616 54.4428 31.9772 174.8514 25 V 4.7741 9.0441 127.1488 61.0343 34.6855 174.0372 26 V 4.7886 8.8494 128.0074 61.1200 33.9464 174.0269 27 L 5.1958 9.0903 127.9446 52.9208 44.8463 174.8681 28 E 4.9669 9.3218 125.2074 54.9997 31.6403 175.1786 29 I 5.0979 8.5047 120.6362 58.4175 41.2336 174.6555 30 A 4.0731 8.5027 123.9814 54.0744 18.4222 178.4810 31 G 3.8438 9.0832 107.7366 45.6141 0.0000 174.8269 32 G 3.9104 7.7862 105.2121 45.4143 0.0000 174.1331 33 N 4.6497 7.7288 117.5248 53.0537 39.8565 174.1491 34 K 5.0833 8.5322 120.0652 54.7209 35.4740 175.4959 35 I 4.5711 8.9381 125.0380 59.7869 40.0775 174.5703 36 T 5.0911 8.5475 122.6618 61.7966 71.0900 173.5449 37 S 4.7563 9.1710 120.1516 56.4581 66.0843 172.4833 38 I 5.1041 8.4549 126.7274 59.5989 39.4010 174.6037 39 I 4.8742 8.4869 119.9919 58.4889 41.9401 174.8650 40 S 4.6057 8.4976 116.2971 58.0031 63.5106 175.1979 41 L 3.9900 9.0119 124.8400 58.2916 41.7388 179.2332 42 D 4.3561 8.0635 118.6059 57.5426 40.7433 178.8118 43 S 4.1671 8.1769 115.5793 61.3529 62.8110 176.6631 44 V 3.5840 7.7320 121.0248 66.2256 31.3491 178.0299 45 E 3.9613 8.4609 118.3342 59.5540 29.1187 179.2406 46 E 4.0228 8.4797 117.7570 59.0826 29.6367 178.5988 47 L 4.3722 8.2544 116.6221 53.9806 42.0687 176.9532 48 G 3.9036 7.7934 106.5670 45.9323 0.0000 174.3808 49 V 3.6159 7.5054 119.4031 62.8936 32.0755 175.1874 50 K 4.5360 8.3307 123.7174 55.3712 34.7286 174.5585 51 E 4.0403 8.6422 119.1362 58.4675 29.7091 178.8683 52 G 3.9520 9.0521 111.1441 45.3364 0.0000 173.8598 53 A 4.1357 7.8696 122.3817 52.1246 19.6984 176.5453 54 E 4.8695 8.6777 121.2552 55.5300 30.5719 175.5768 55 L 4.8842 8.8897 123.7737 53.6179 47.2459 175.1233 56 T 5.0998 8.3412 115.5156 61.8086 71.3491 173.9889 57 A 4.3490 9.1409 129.0760 51.3857 19.9658 176.2170 58 V 4.8866 8.3914 122.4125 61.0603 33.9983 174.9280 59 V 4.5277 8.5319 126.7629 60.9259 35.2196 174.8222 60 K 4.2353 8.6522 126.7729 56.0704 33.0204 178.2184 61 S 4.1361 8.8111 119.0427 62.0204 62.8794 176.3226 62 T 4.1371 7.8498 107.3758 63.0329 68.6710 174.3520 63 D 4.6264 7.9829 121.5065 54.2963 41.3567 176.0686 64 V 4.1560 7.5779 120.5061 61.5110 32.3711 175.2898 65 M 4.5265 8.3886 126.5862 54.1255 33.6449 175.2493 66 I 4.4904 8.0551 120.6703 59.3574 39.8515 174.9531 67 L 4.6284 8.5272 126.0549 53.0500 44.0725 175.8304 68 A 4.3410 8.5421 127.3765 52.3206 19.1999 175.7334 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 S 8.33 4.41 0.00 3.99 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 3 I 7.77 4.33 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 1.47 1.54 0.91 0.00 0.00 4 S 8.97 4.19 0.00 4.02 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 5 A 7.19 4.00 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 6 R 8.60 4.14 0.00 1.82 1.99 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 7 N 7.86 4.87 0.00 2.83 2.73 0.00 0.00 6.63 7.18 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 8 Q 8.64 4.63 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 9 L 9.14 4.67 0.00 1.52 1.57 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.76 4.47 0.00 1.64 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 11 G 9.17 4.29 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 0.00 12 K 8.75 5.23 0.00 1.79 1.87 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 8.96 4.23 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 1.15 0.00 0.00 0.95 0.00 0.00 14 V 8.48 4.49 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 1.02 0.00 0.00 0.93 0.00 0.00 15 G 7.80 4.29 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 0.00 16 L 8.27 5.10 0.00 1.60 1.50 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.35 4.56 0.00 1.80 1.59 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.89 4.70 0.00 1.67 1.71 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.66 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 0.00 0.00 0.00 0.00 20 V 8.47 4.01 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.77 4.01 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 0.93 0.00 0.00 22 T 7.50 5.22 4.31 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 1.21 0.00 0.00 23 A 8.83 5.00 1.24 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 24 E 9.26 5.03 0.00 2.01 1.80 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 2.21 2.34 0.00 25 V 9.04 4.77 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 0.93 0.00 0.00 26 V 8.85 4.79 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 0.79 0.00 0.00 0.93 0.00 0.00 27 L 9.09 5.20 0.00 1.55 1.52 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.32 4.97 0.00 1.99 1.81 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 2.24 2.24 0.00 29 I 8.50 5.10 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 1.33 0.77 0.91 0.00 0.00 30 A 8.50 4.07 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 G 9.08 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.79 3.91 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 0.00 33 N 7.73 4.65 0.00 2.66 2.75 0.00 0.00 6.77 7.57 0.00 0.00 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 8.53 5.08 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 35 I 8.94 4.57 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 1.23 0.92 0.91 0.00 0.00 36 T 8.55 5.09 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 1.24 0.00 0.00 37 S 9.17 4.76 0.00 3.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 5.10 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 1.40 0.79 0.91 0.00 0.00 39 I 8.49 4.87 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 1.28 0.82 0.91 0.00 0.00 40 S 8.50 4.61 0.00 4.02 4.03 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 41 L 9.01 3.99 0.00 1.72 1.77 0.92 1.30 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 42 D 8.06 4.36 0.00 2.72 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 43 S 8.18 4.17 0.00 4.03 3.91 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 44 V 7.73 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.46 3.96 0.00 2.15 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 2.56 2.49 0.00 46 E 8.48 4.02 0.00 1.95 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 2.34 2.47 0.00 47 L 8.25 4.37 0.00 1.59 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.79 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.51 3.62 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 0.81 0.00 0.00 0.96 0.00 0.00 50 K 8.33 4.54 0.00 1.93 1.84 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.44 7.81 51 E 8.64 4.04 0.00 2.01 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 2.41 2.28 0.00 52 G 9.05 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 0.00 0.00 0.00 53 A 7.87 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 54 E 8.68 4.87 0.00 1.86 1.92 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 2.27 2.33 0.00 55 L 8.89 4.88 0.00 1.54 1.51 0.92 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 5.10 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 1.23 0.00 0.00 57 A 9.14 4.35 1.23 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 0.00 0.00 58 V 8.39 4.89 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 0.82 0.00 0.00 0.98 0.00 0.00 59 V 8.53 4.53 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 0.92 0.00 0.00 0.93 0.00 0.00 60 K 8.65 4.24 0.00 1.86 1.70 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.81 4.14 0.00 3.88 3.92 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 62 T 7.85 4.14 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 63 D 7.98 4.63 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 4.16 2.17 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 0.78 0.00 0.00 0.93 0.00 0.00 65 M 8.39 4.53 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 66 I 8.06 4.49 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 1.30 0.88 0.91 0.00 0.00 67 L 8.53 4.63 0.00 1.54 1.52 0.92 0.99 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 68 A 8.54 4.34 1.21 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