NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9444 8.3549 109.7355 45.7977 0.0000 174.6660 5 H 4.6861 9.1872 117.4729 53.6814 29.7737 174.8822 6 S 4.2374 8.4347 117.5531 60.5328 63.7185 174.1212 7 L 4.4562 7.6259 122.1831 56.7729 43.1160 177.4650 8 Q 3.9405 7.9725 118.8326 59.4312 28.8486 178.0807 9 D 4.4135 8.0745 119.4309 57.1741 40.9908 177.0959 10 P 4.3197 0.0000 0.0000 65.5750 31.3039 178.0759 11 Y 3.9553 8.1430 118.3382 60.8105 38.7332 178.0889 12 L 3.7823 8.1125 120.1292 57.6837 41.5842 179.1184 13 N 4.5698 8.5888 117.4431 56.9545 38.8427 177.1579 14 T 3.8490 8.0203 117.2269 66.6063 68.6368 176.6483 15 L 3.8468 7.6926 120.9126 57.5779 41.6481 179.6695 16 R 4.2405 8.1186 120.2207 59.0952 29.9610 178.7572 17 K 3.9659 8.3994 117.1246 59.3212 32.1245 177.8790 18 E 4.2750 8.3311 115.4440 55.7058 29.7487 176.1564 19 R 3.7646 7.5565 116.8409 56.8952 28.3738 176.6544 20 V 3.7864 7.4799 116.8335 62.1238 32.3472 174.1308 21 P 4.6146 0.0000 0.0000 63.0592 32.5228 175.7130 22 V 4.9837 9.2379 116.2585 59.8631 36.8894 174.2984 23 S 5.1118 8.9812 117.6470 56.8281 66.2317 173.3620 24 I 4.8779 8.8508 125.5174 59.8124 39.7666 174.0910 25 Y 4.7846 8.9404 125.9370 56.8267 39.4616 175.7075 26 L 4.8660 9.1612 124.6281 53.6564 43.3321 178.5737 27 V 3.6415 8.7995 114.9856 64.2420 31.5278 177.4216 28 N 4.5512 8.0591 114.9242 52.9906 37.7095 175.5531 29 G 4.1409 8.2394 107.7438 45.4113 0.0000 174.4660 30 I 3.8236 8.3806 121.5923 61.4913 38.3209 174.9882 31 K 4.4802 8.5575 127.3947 54.6722 33.6671 174.9771 32 L 4.7134 8.8120 128.1172 53.3771 43.9603 175.7669 33 Q 4.9509 9.5710 120.2287 52.8258 32.4462 176.7720 34 G 4.1440 7.4088 109.7655 45.9172 0.0000 172.0851 35 Q 4.7846 8.0300 121.2029 54.2839 32.6720 174.5925 36 I 4.2805 8.3140 122.0008 61.5867 37.5585 176.0527 37 E 4.2675 9.2087 129.9729 58.4891 30.6524 175.7541 38 S 4.7683 7.6024 111.8372 58.2322 66.0904 174.1378 39 F 5.0708 7.8032 113.0397 56.5327 38.9314 173.1408 40 D 4.5799 8.4753 120.1853 52.3376 41.6147 175.3090 41 Q 3.8876 8.8529 118.1464 58.9839 29.1054 178.1341 42 F 5.0388 7.9095 111.3713 57.2802 41.2538 174.9518 43 V 5.0873 8.5783 113.2654 59.5443 36.5411 174.4494 44 I 5.0978 8.7268 121.9966 59.6155 41.1844 174.4292 45 L 4.8981 9.1351 129.4652 53.7045 43.5374 174.5805 46 L 5.1205 8.8338 129.3650 53.1847 44.0548 174.7412 47 K 4.5715 8.6813 127.1783 55.4811 34.5074 173.8638 48 N 5.1398 8.7991 126.1595 55.0797 45.7800 175.6873 49 T 4.0624 8.0906 116.7869 66.0214 69.6115 175.0592 50 V 4.4309 7.2528 118.4200 61.1071 34.9451 173.5406 51 S 5.0072 8.5353 119.4322 57.5754 63.2906 173.8157 52 Q 4.6245 9.0121 124.1506 54.7280 31.2388 174.1948 53 M 4.6799 8.4535 121.0763 54.4112 33.6083 175.0132 54 V 4.4051 8.7831 126.5571 61.1699 34.3536 174.2288 55 Y 4.4972 8.5411 125.7798 57.2139 38.7357 176.4347 56 K 3.9397 9.1373 125.4975 59.8412 32.4078 178.9164 57 H 4.2577 8.3895 112.5988 57.9645 28.5292 175.6667 58 A 4.5036 8.2120 121.9381 52.2461 19.3053 176.4751 59 I 4.6790 7.8561 118.1898 60.3924 38.4553 175.4059 60 S 4.7690 9.2475 120.4837 60.0404 64.0092 174.3481 61 T 4.8004 7.7848 109.9683 59.2088 72.6352 172.1924 62 V 4.7419 8.4629 122.1152 61.2936 33.9986 174.8092 63 V 4.4519 9.0078 129.1116 60.4461 32.6737 173.1240 64 P 4.8181 0.0000 0.0000 62.3918 32.0554 177.9260 65 S 4.4565 9.0676 118.3409 60.7083 63.4028 174.2551 66 R 4.6834 7.4028 115.7836 53.7633 32.2792 173.0568 67 P 4.4538 0.0000 0.0000 63.0351 31.9305 176.4292 68 V 4.5399 8.0280 113.2228 59.5670 35.5581 175.9602 69 R 4.2352 8.4696 117.6010 56.3670 29.4328 175.7058 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 4 G 8.35 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 0.00 0.00 0.00 5 H 9.19 4.69 0.00 3.26 3.52 0.00 5.63 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.43 4.24 0.00 4.03 4.02 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 0.00 0.00 0.00 7 L 7.63 4.46 0.00 1.73 1.61 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.97 3.94 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 9 D 8.07 4.41 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.32 0.00 2.22 2.14 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 2.39 2.19 0.00 11 Y 8.14 3.96 0.00 3.19 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 12 L 8.11 3.78 0.00 0.68 0.60 0.36 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.59 4.57 0.00 3.23 2.91 0.00 0.00 7.23 6.84 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 14 T 8.02 3.85 4.23 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 1.19 0.00 0.00 15 L 7.69 3.85 0.00 1.75 1.60 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.12 4.24 0.00 2.09 2.20 0.00 3.29 0.00 0.00 3.41 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 17 K 8.40 3.97 0.00 1.79 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.61 7.81 18 E 8.33 4.27 0.00 2.07 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 2.29 2.25 0.00 19 R 7.56 3.76 0.00 1.95 1.97 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.48 3.79 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 0.69 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.61 0.00 2.10 1.95 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.24 4.98 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 0.77 0.00 0.00 0.97 0.00 0.00 23 S 8.98 5.11 0.00 3.79 3.40 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 24 I 8.85 4.88 1.83 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 1.24 0.89 0.93 0.00 0.00 25 Y 8.94 4.78 0.00 3.00 2.92 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 26 L 9.16 4.87 0.00 1.78 1.72 0.95 0.85 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 27 V 8.80 3.64 2.11 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 0.75 0.00 0.00 1.01 0.00 0.00 28 N 8.06 4.55 0.00 2.83 2.95 0.00 0.00 6.29 7.00 0.00 0.00 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 G 8.24 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 30 I 8.38 3.82 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.89 0.00 0.00 31 K 8.56 4.48 0.00 1.50 1.55 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.97 0.31 7.81 32 L 8.81 4.71 0.00 1.52 1.49 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.57 4.95 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.17 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 7.41 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 35 Q 8.03 4.78 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 36 I 8.31 4.28 1.88 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 1.20 1.17 1.01 0.00 0.00 37 E 9.21 4.27 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 38 S 7.60 4.77 0.00 3.79 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 39 F 7.80 5.07 0.00 3.24 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 40 D 8.48 4.58 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.85 3.89 0.00 1.73 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.88 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 42 F 7.91 5.04 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.58 5.09 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 0.41 0.00 0.00 0.95 0.00 0.00 44 I 8.73 5.10 1.88 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 1.16 0.75 0.94 0.00 0.00 45 L 9.14 4.90 0.00 1.72 1.67 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.83 5.12 0.00 1.77 1.48 0.94 0.60 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 47 K 8.68 4.57 0.00 2.02 1.59 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 48 N 8.80 5.14 0.00 2.61 2.55 0.00 0.00 7.27 7.59 0.00 0.00 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 8.09 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 50 V 7.25 4.43 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 1.03 0.00 0.00 0.93 0.00 0.00 51 S 8.54 5.01 0.00 3.78 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 52 Q 9.01 4.62 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 53 M 8.45 4.68 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.15 0.00 54 V 8.78 4.41 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 1.02 0.00 0.00 0.92 0.00 0.00 55 Y 8.54 4.50 0.00 2.92 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.14 3.94 0.00 2.01 1.96 0.00 1.90 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.58 7.81 57 H 8.39 4.26 0.00 3.27 3.56 0.00 5.53 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 58 A 8.21 4.50 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 59 I 7.86 4.68 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 0.98 0.00 0.00 60 S 9.25 4.77 0.00 3.84 4.02 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 0.00 0.00 0.00 61 T 7.78 4.80 4.27 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 0.00 0.00 0.00 1.18 0.00 0.00 62 V 8.46 4.74 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 0.91 0.00 0.00 0.97 0.00 0.00 63 V 9.01 4.45 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 1.09 0.00 0.00 1.08 0.00 0.00 64 P 0.00 4.82 0.00 2.25 1.90 0.00 3.77 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 65 S 9.07 4.46 0.00 3.85 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 66 R 7.40 4.68 0.00 2.08 1.89 0.00 3.07 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 67 P 0.00 4.45 0.00 2.07 2.05 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 68 V 8.03 4.54 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 0.73 0.00 0.00 0.77 0.00 0.00 69 R 8.47 4.24 0.00 1.88 1.87 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00