NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3911 8.3044 120.3174 54.8090 34.2137 175.3234 2 D 4.6024 7.3180 114.5947 51.2907 45.9259 172.2330 3 E 3.9973 8.9917 119.6937 59.4948 29.5845 178.8098 4 F 4.2043 8.4211 120.1176 61.4347 39.3959 177.1760 5 V 3.2933 7.7887 117.3264 65.8531 31.5135 178.0238 6 K 4.1227 8.7414 118.7691 59.0880 32.1818 179.6227 7 G 3.6226 8.6173 106.6632 47.5706 0.0000 175.9147 8 L 3.9251 7.4158 120.9997 57.8992 41.7936 179.1587 9 M 4.1773 7.6479 119.0611 57.9271 31.7807 178.2641 10 K 4.0618 7.8456 117.6815 58.4290 32.1786 177.2326 11 N 4.9564 7.3784 114.6589 52.8035 38.9843 174.7496 12 G 3.8827 7.9897 104.3133 46.8336 0.0000 173.5565 13 Y 4.7266 8.1501 116.7811 55.8685 40.5503 175.2439 14 L 4.9314 8.3859 122.2660 53.1433 45.3936 175.2539 15 I 5.0911 7.8889 120.1036 59.7051 40.9449 174.8188 16 T 4.3830 8.3634 118.9287 60.1757 70.1250 174.0686 17 P 4.5309 0.0000 0.0000 66.1844 30.9897 178.8608 18 S 4.2510 8.2629 112.7139 60.9140 63.1398 175.4550 19 A 4.4462 7.9140 123.2524 54.0118 19.1091 178.5556 20 Y 4.1869 8.3990 118.6779 61.2476 38.6908 177.7349 21 Y 3.8934 8.2383 116.5475 60.3150 38.0959 178.0573 22 L 4.4278 7.7268 118.9363 57.0825 42.6897 178.7208 23 L 4.1530 8.7239 119.9238 57.6610 41.4143 180.0428 24 V 3.4294 8.0599 119.7762 64.7557 31.0716 178.7547 25 G 3.4551 7.8704 106.3127 47.6057 0.0000 174.9698 26 H 4.4505 8.3386 119.5200 57.8905 29.8769 176.6586 27 F 3.7331 8.2085 122.4754 60.5577 39.2592 177.2381 28 N 4.1038 8.4963 115.5849 56.4114 38.4380 176.9691 29 E 4.0648 7.6005 118.5299 57.5955 29.4900 178.0380 30 G 3.8007 7.3462 106.3308 45.6022 0.0000 175.3597 31 K 4.0382 7.7532 119.6314 58.3210 32.2700 177.5178 32 F 5.1125 7.9655 111.1690 55.0164 40.9419 174.4395 33 S 4.7793 8.5403 117.2876 56.8338 65.1016 175.6167 34 L 4.1347 8.7327 122.0168 58.2028 41.3877 179.6707 35 I 3.7490 7.8958 118.0305 64.1564 37.9769 177.6568 36 E 4.2187 8.2992 119.3831 59.0571 29.2373 178.9033 37 L 3.3306 8.0029 120.0105 58.1795 42.3569 179.0399 38 I 3.4174 7.7319 119.7467 63.9715 36.7214 178.3504 39 K 4.0354 7.7828 119.4597 59.1406 32.0164 178.5707 40 F 4.3384 8.2076 120.4853 61.3595 39.4651 177.1253 41 A 3.9865 7.8588 120.3450 54.8850 17.8377 179.7091 42 K 3.9375 7.7541 116.4109 59.8688 32.2675 178.5405 43 S 4.1802 7.4722 112.1049 61.1764 62.4049 175.3776 44 R 3.9077 7.6114 117.3551 56.5686 30.7613 175.5615 45 E 3.7497 8.0363 116.3676 56.6859 26.6467 173.5515 46 T 4.7396 7.4039 111.0319 60.9279 70.6470 172.3723 47 F 4.9782 8.1516 119.8974 56.4713 39.1460 174.6307 48 I 4.5706 7.3857 119.7872 60.8675 40.0684 175.8279 49 I 4.1850 8.5638 129.8998 60.3011 37.4815 175.0312 50 D 4.7594 8.1322 127.3291 51.5101 43.9045 176.0960 51 D 4.3734 8.7980 118.2390 57.4715 40.9466 177.6550 52 E 3.9824 8.1659 119.3004 59.3245 29.6366 178.7963 53 I 3.9553 7.6885 119.1772 64.2907 37.4485 177.9759 54 A 4.0255 8.2464 121.7956 55.0907 18.2836 179.2962 55 N 4.2023 8.3108 115.4514 57.0450 39.1328 177.1544 56 E 4.0821 8.1329 119.4709 59.3075 29.4072 178.8232 57 F 2.7948 8.4099 121.4066 60.8493 39.3984 177.0707 58 L 3.4498 7.7000 118.2240 57.6349 41.1940 179.8726 59 K 4.1337 7.5608 117.2711 58.9192 30.6615 179.4663 60 S 4.2984 7.8674 115.9431 61.5415 62.7928 176.7137 61 I 3.8623 7.3018 114.6552 61.8469 37.7845 176.1146 62 G 3.6718 7.6457 106.4752 46.3198 0.0000 172.2240 63 A 4.6847 7.7111 119.8201 50.4640 22.2876 175.7502 64 E 3.7913 8.7003 115.0797 57.5954 26.8785 177.6086 65 V 3.9410 7.6709 111.7824 61.6437 28.9492 174.9147 66 E 4.5250 7.8817 118.9748 54.1522 31.2399 174.6005 67 L 4.8933 7.8154 123.1035 51.6985 45.0118 175.7883 68 P 4.3268 0.0000 0.0000 65.0521 31.4826 176.3610 69 Q 4.1141 7.7954 117.2451 56.3040 30.4539 173.4427 70 E 3.5802 7.9711 128.7836 56.4142 26.9257 172.8232 71 I 4.3201 7.5121 121.4645 61.0794 39.9226 176.2855 72 K 4.0851 7.5785 123.8566 57.1630 32.8305 175.6181 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 1 M 8.30 4.39 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 2 D 7.32 4.60 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.00 0.00 2.20 2.15 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 2.48 2.39 0.00 4 F 8.42 4.20 0.00 3.09 3.28 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 5 V 7.79 3.29 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 0.77 0.00 0.00 0.39 0.00 0.00 6 K 8.74 4.12 0.00 1.95 1.84 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 7 G 8.62 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.42 3.93 0.00 1.64 1.84 0.43 0.46 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 9 M 7.65 4.18 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 10 K 7.85 4.06 0.00 2.06 1.88 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.63 7.81 11 N 7.38 4.96 0.00 2.94 3.18 0.00 0.00 7.01 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 12 G 7.99 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 13 Y 8.15 4.73 0.00 3.06 2.82 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 0.00 0.00 0.00 14 L 8.39 4.93 0.00 1.60 1.54 1.01 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.89 5.09 1.74 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.03 0.71 0.00 0.00 16 T 8.36 4.38 4.28 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 1.29 0.00 0.00 17 P 0.00 4.53 0.00 2.52 2.47 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.09 0.00 18 S 8.26 4.25 0.00 4.11 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 19 A 7.91 4.45 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.40 4.19 0.00 3.14 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 21 Y 8.24 3.89 0.00 3.22 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 22 L 7.73 4.43 0.00 1.74 1.72 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.72 4.15 0.00 2.07 2.09 1.10 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.06 3.43 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 0.57 0.00 0.00 0.74 0.00 0.00 25 G 7.87 3.46 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 0.00 26 H 8.34 4.45 0.00 3.33 3.63 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 8.21 3.73 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.10 0.00 2.82 2.79 0.00 0.00 7.04 6.14 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 29 E 7.60 4.06 0.00 1.92 1.95 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 2.31 2.48 0.00 30 G 7.35 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 31 K 7.75 4.04 0.00 1.78 1.64 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 32 F 7.97 5.11 0.00 3.39 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 33 S 8.54 4.78 0.00 4.14 3.87 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 0.00 0.00 0.00 0.00 34 L 8.73 4.13 0.00 1.83 1.77 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.90 3.75 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.28 0.99 0.00 0.00 36 E 8.30 4.22 0.00 2.68 2.35 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 2.49 2.58 0.00 37 L 8.00 3.33 0.00 2.05 1.84 0.34 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.73 3.42 1.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.96 0.57 0.00 0.00 39 K 7.78 4.04 0.00 2.12 1.98 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.51 7.81 40 F 8.21 4.34 0.00 3.38 3.03 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 A 7.86 3.99 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 42 K 7.75 3.94 0.00 2.00 1.93 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.66 1.66 7.81 43 S 7.47 4.18 0.00 3.71 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 3.91 0.00 1.86 1.89 0.00 3.48 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.20 0.00 45 E 8.04 3.75 0.00 2.14 2.03 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 2.25 2.23 0.00 46 T 7.40 4.74 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 1.26 0.00 0.00 47 F 8.15 4.98 0.00 2.69 2.81 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 48 I 7.39 4.57 1.64 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.36 0.81 0.00 0.00 49 I 8.56 4.19 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.10 0.92 0.00 0.00 50 D 8.13 4.76 0.00 2.78 2.55 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 51 D 8.80 4.37 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.17 3.98 0.00 2.09 1.96 0.00 0.00 0.00 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 2.42 0.00 53 I 7.69 3.96 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.97 1.17 0.00 0.00 54 A 8.25 4.03 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.31 4.20 0.00 2.95 2.84 0.00 0.00 7.21 7.03 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 56 E 8.13 4.08 0.00 2.38 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 0.00 2.41 2.57 0.00 57 F 8.41 2.79 0.00 2.42 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 58 L 7.70 3.45 0.00 1.57 1.45 0.78 0.46 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 59 K 7.56 4.13 0.00 2.00 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.59 7.81 60 S 7.87 4.30 0.00 4.05 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 61 I 7.30 3.86 1.61 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.37 0.19 0.00 0.00 62 G 7.65 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.71 4.68 1.12 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 0.00 0.00 64 E 8.70 3.79 0.00 1.98 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 2.15 2.34 0.00 65 V 7.67 3.94 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 0.66 0.00 0.00 0.91 0.00 0.00 66 E 7.88 4.52 0.00 1.87 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 2.19 2.32 0.00 67 L 7.82 4.89 0.00 1.93 1.52 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.33 0.00 2.17 2.17 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 69 Q 7.80 4.11 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 70 E 7.97 3.58 0.00 2.09 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 2.36 0.00 71 I 7.51 4.32 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 1.41 1.03 0.91 0.00 0.00 72 K 7.58 4.09 0.00 1.69 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.40 7.81