NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3254 8.1744 110.9439 61.3120 70.7093 173.4080 6 N 4.6675 7.9946 120.3722 53.3442 39.0687 173.3367 7 S 4.4892 8.7395 113.2857 57.4829 64.8539 173.2106 8 D 4.8048 8.5819 121.5979 54.8341 41.8455 175.3632 9 F 5.3052 7.8826 114.2301 55.4362 41.6160 173.9463 10 V 4.5913 8.7699 112.1751 59.5503 35.3420 174.8526 11 V 4.8227 8.5970 123.4297 61.3317 33.8503 174.4460 12 I 4.9828 9.0292 128.5193 59.3523 40.6608 174.1151 13 K 5.0310 9.2692 128.8070 54.1863 34.3750 175.1083 14 A 4.3169 8.6397 130.0545 52.2733 19.2345 177.3422 15 L 4.7747 8.7015 121.9420 54.1582 42.5011 176.0285 16 E 4.6927 7.5972 115.0056 55.3115 31.7585 174.9121 17 D 4.4710 8.4213 119.8828 55.6819 41.4039 176.9434 18 G 3.8943 8.6700 110.1580 45.3757 0.0000 173.9023 19 V 3.9167 7.5949 119.6445 62.7633 33.0300 174.3929 20 N 5.3500 9.0858 124.5192 51.4809 41.5873 173.5373 21 V 4.4481 8.6521 124.7728 61.4870 33.3552 174.2891 22 I 4.5750 8.6425 130.3095 59.3537 39.5359 175.0901 23 G 4.0937 8.8068 115.4581 45.1754 0.0000 172.4579 24 L 5.3850 8.9900 126.5666 53.2903 43.8642 176.3737 25 T 4.5563 8.8042 114.6503 61.6843 69.2350 174.3619 26 R 4.3189 7.9599 126.1626 57.1612 29.7951 174.9503 27 G 3.7873 8.8430 108.4703 44.1707 0.0000 173.9571 28 A 4.1321 8.7006 121.0078 54.4315 18.6658 177.6696 29 D 4.8100 7.2700 112.2560 53.2621 42.4843 176.2775 30 T 4.7064 8.2814 122.1252 61.4896 69.8985 172.6687 31 R 4.7037 8.8958 122.7303 53.8659 33.8083 174.1851 32 F 5.4002 8.6466 117.8531 57.4035 39.2171 175.7682 33 H 4.9723 9.0703 118.3845 56.4553 30.5755 174.2618 34 H 4.8728 7.6697 117.6824 54.6350 33.5139 171.8973 35 S 4.7936 8.2125 119.0766 56.4202 64.6601 172.3330 36 E 4.4624 9.1135 129.4581 54.7463 31.0949 174.6328 37 K 4.8139 8.6012 126.7482 55.4464 33.5803 175.9270 38 L 4.9550 9.0050 125.3501 53.0812 44.5219 175.9949 39 D 4.9618 9.0445 122.9405 52.7924 42.9343 175.9700 40 K 3.9096 9.1282 122.2355 58.6924 32.3219 176.9120 41 G 4.0444 8.9471 115.6495 45.1837 0.0000 173.5455 42 E 4.2399 8.0625 119.4459 56.3082 30.7358 176.0651 43 V 4.8859 8.2962 122.0453 61.0299 34.3172 174.3273 44 L 4.7956 9.0388 129.1232 53.2302 45.1424 174.8666 45 I 5.0519 8.4510 125.9999 59.5324 39.4804 174.7629 46 A 4.6743 8.9286 128.6609 50.2180 22.2269 175.3617 47 Q 4.8203 8.6394 120.8318 54.9747 30.4572 175.7225 48 F 4.6538 8.4987 120.2986 57.9664 39.8679 175.2970 49 T 4.6897 8.7299 111.3328 60.2235 71.8792 172.9778 50 E 4.0205 8.9821 121.1551 59.6071 29.6778 177.5469 51 H 4.4980 8.1666 114.1581 56.5473 29.7972 174.2427 52 T 5.3336 8.1275 116.9565 61.8666 70.8086 174.5515 53 S 5.0249 9.0440 119.4909 57.9815 64.9192 173.3835 54 A 5.1446 7.9300 121.3443 51.0918 22.6717 175.1225 55 I 4.9954 8.5070 120.0617 59.3371 40.7555 174.7450 56 K 4.5814 8.9007 127.9231 54.4796 34.8306 174.6328 57 V 4.7872 8.4151 126.6767 61.2161 33.5820 174.5005 58 R 4.5320 9.0269 127.4098 55.4713 32.6450 176.2286 59 G 4.1358 9.0308 109.1658 44.1190 0.0000 172.3600 60 K 4.6131 10.0532 120.8286 55.2429 33.1423 175.5977 61 A 5.1069 8.5845 126.8920 51.0870 23.5912 173.6646 62 Y 5.1606 9.0179 120.7717 55.9212 41.4805 174.6136 63 I 4.9205 8.2603 126.8818 59.5060 40.9780 174.2597 64 Q 5.0001 9.0138 126.0826 54.3299 31.8316 174.9147 65 T 4.8964 8.5912 112.5932 59.7243 72.5211 174.5208 66 R 3.7548 8.5742 120.6495 59.3742 29.8549 176.4695 67 H 4.7232 8.9932 112.4973 55.2699 29.4654 175.1328 68 G 3.7497 6.5051 107.0564 44.1872 0.0000 172.8847 69 V 4.7509 7.6610 112.6968 59.9567 34.8202 175.0631 70 I 4.4355 8.0886 120.8345 60.2656 41.8968 172.7680 71 E 5.2941 8.6621 125.8933 54.4978 31.9715 176.1484 72 S 4.5989 8.7665 118.7873 58.0516 65.0338 172.8360 73 E 4.7670 8.6343 119.5923 54.5085 32.9659 176.3653 74 G 3.7303 8.6211 110.3092 45.8166 0.0000 173.6392 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 5 T 8.17 4.33 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 6 N 7.99 4.67 0.00 2.81 2.86 0.00 0.00 7.08 6.75 0.00 0.00 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 S 8.74 4.49 0.00 4.11 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 8 D 8.58 4.80 0.00 2.77 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 7.88 5.31 0.00 2.94 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 10 V 8.77 4.59 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 0.57 0.00 0.00 0.85 0.00 0.00 11 V 8.60 4.82 2.13 0.00 0.00 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 1.17 0.00 0.00 12 I 9.03 4.98 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.91 0.00 0.00 13 K 9.27 5.03 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.64 4.32 1.38 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 0.00 0.00 0.00 0.00 0.00 15 L 8.70 4.77 0.00 1.62 1.70 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.60 4.69 0.00 2.02 1.87 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 2.30 2.28 0.00 17 D 8.42 4.47 0.00 2.69 2.64 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 18 G 8.67 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 0.00 0.00 0.00 19 V 7.59 3.92 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 0.90 0.00 0.00 1.04 0.00 0.00 20 N 9.09 5.35 0.00 2.58 2.58 0.00 0.00 6.40 8.13 0.00 0.00 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 V 8.65 4.45 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 0.86 0.00 0.00 0.89 0.00 0.00 22 I 8.64 4.58 1.49 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.26 -0.38 0.00 0.00 23 G 8.81 4.09 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 0.00 0.00 0.00 24 L 8.99 5.38 0.00 1.89 1.72 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.80 4.56 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 1.39 0.00 0.00 26 R 7.96 4.32 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.08 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.84 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 28 A 8.70 4.13 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 29 D 7.27 4.81 0.00 2.60 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 30 T 8.28 4.71 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 1.28 0.00 0.00 31 R 8.90 4.70 0.00 1.84 2.00 0.00 2.78 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 32 F 8.65 5.40 0.00 2.92 2.84 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 33 H 9.07 4.97 0.00 3.19 3.48 0.00 5.56 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.67 4.87 0.00 3.25 3.04 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.21 4.79 0.00 3.72 3.58 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 36 E 9.11 4.46 0.00 2.13 1.77 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 2.24 2.31 0.00 37 K 8.60 4.81 0.00 1.64 1.71 0.00 1.61 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.48 7.81 38 L 9.00 4.96 0.00 1.51 1.54 0.91 0.93 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 39 D 9.04 4.96 0.00 2.61 2.57 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 0.00 0.00 0.00 0.00 40 K 9.13 3.91 0.00 1.65 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.42 7.81 41 G 8.95 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.06 4.24 0.00 2.04 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 2.32 2.25 0.00 43 V 8.30 4.89 2.09 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 0.84 0.00 0.00 0.96 0.00 0.00 44 L 9.04 4.80 0.00 1.72 1.44 0.90 0.80 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 45 I 8.45 5.05 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.63 0.00 0.00 46 A 8.93 4.67 1.11 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 0.00 0.00 47 Q 8.64 4.82 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 48 F 8.50 4.65 0.00 3.02 2.95 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 49 T 8.73 4.69 4.30 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 1.28 0.00 0.00 50 E 8.98 4.02 0.00 1.93 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 2.05 2.27 0.00 51 H 8.17 4.50 0.00 3.24 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.13 5.33 4.36 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 0.00 0.00 0.00 1.35 0.00 0.00 53 S 9.04 5.02 0.00 3.85 4.08 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 0.00 0.00 0.00 0.00 54 A 7.93 5.14 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 55 I 8.51 5.00 1.86 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 1.16 0.72 0.84 0.00 0.00 56 K 8.90 4.58 0.00 1.79 1.49 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.37 7.81 57 V 8.42 4.79 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 0.85 0.00 0.00 0.90 0.00 0.00 58 R 9.03 4.53 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 59 G 9.03 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 10.05 4.61 0.00 1.83 1.75 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.26 7.81 61 A 8.58 5.11 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 62 Y 9.02 5.16 0.00 3.05 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 63 I 8.26 4.92 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.82 0.00 0.00 64 Q 9.01 5.00 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 65 T 8.59 4.90 4.13 0.00 0.00 0.00 0.00 0.00 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 66 R 8.57 3.75 0.00 1.58 1.70 0.00 3.11 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 67 H 8.99 4.72 0.00 3.18 3.27 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.51 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.66 4.75 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 70 I 8.09 4.44 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.36 0.85 0.00 0.00 71 E 8.66 5.29 0.00 1.90 1.87 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 2.42 2.45 0.00 72 S 8.77 4.60 0.00 3.96 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 73 E 8.63 4.77 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 74 G 8.62 3.73 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 0.00 0.00 0.00