NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3188 8.2649 123.5802 51.7935 19.9985 176.0938 5 M 3.9831 8.2923 117.7346 54.7378 32.5857 175.0593 6 A 4.3582 8.2715 124.0663 52.5019 20.8558 176.1550 7 T 5.2055 8.3880 108.8110 60.1417 73.0410 172.4535 8 A 5.0597 8.8231 122.8225 50.6185 23.3425 175.0874 9 V 4.5504 8.4615 120.2691 61.0426 33.6695 175.1098 10 A 4.2748 8.6495 130.6710 52.2383 18.5803 178.0447 11 L 3.9261 8.9789 123.2431 56.3568 42.4831 176.4671 12 Y 4.9855 7.6183 113.9237 56.0385 42.2266 174.7851 13 N 5.0039 8.9899 118.1407 53.7212 39.9745 174.6920 14 F 5.0502 8.9059 123.1039 56.7363 42.1418 175.4361 15 A 3.7380 8.6694 129.1339 52.7931 18.8526 176.9035 16 G 3.4469 5.3800 103.6092 46.2849 0.0000 174.1164 17 E 4.0313 7.7346 115.1377 57.2536 30.8162 176.6450 18 Q 4.5671 8.0058 119.1695 53.1012 30.9706 173.1028 19 P 4.2584 0.0000 0.0000 64.4868 31.7900 177.3990 20 G 3.9625 8.8744 108.9179 45.7278 0.0000 172.8341 21 D 5.3546 7.6532 118.8750 53.6914 42.2270 175.5909 22 L 4.7518 9.1410 124.0319 53.7263 43.1497 175.8307 23 A 4.5049 8.6413 128.5395 51.5338 20.0378 175.8245 24 F 4.9391 8.3575 114.7389 56.2221 42.0714 172.8618 25 K 5.1690 9.5304 118.5972 53.8993 35.2903 176.0975 26 K 3.9827 9.0839 123.9597 58.6922 32.2852 176.9163 27 G 3.9936 8.8898 115.4793 45.0666 0.0000 173.4590 28 D 4.4681 8.0753 120.0415 54.5000 42.2111 175.7326 29 V 4.4472 8.2057 121.9174 61.7248 32.7176 174.8699 30 I 4.4064 8.5634 130.1706 60.1207 39.0836 175.2546 31 T 4.4501 8.6980 124.6709 63.1775 69.7286 173.9707 32 I 4.5292 8.6595 128.8002 60.8788 37.0603 176.0245 33 L 4.2660 9.0682 129.0379 57.3995 42.3638 177.9176 34 K 4.5886 7.6843 117.9185 55.1519 35.5029 174.6085 35 K 4.3530 8.1891 125.0943 55.2748 36.0435 175.5287 36 S 4.6497 7.6610 115.2136 57.3644 65.3592 173.5652 37 D 4.8011 8.6020 119.4496 54.4519 41.1963 176.1527 38 S 4.8685 8.1615 114.7124 56.4501 64.7573 174.6615 39 Q 3.9864 8.6922 124.4298 57.4664 28.7534 176.3473 40 N 4.5652 7.9412 114.5750 53.1027 39.1775 174.1754 41 D 4.9110 7.2357 118.1707 52.6980 44.1409 174.9778 42 W 4.6562 8.6654 119.3369 55.2628 30.4334 176.6446 43 W 4.9176 8.2143 125.0235 55.6097 31.6883 175.1060 44 T 5.2424 8.9157 117.9066 62.1248 70.9534 174.1669 45 G 4.7853 9.6464 112.7744 45.0747 0.0000 170.7935 46 R 5.3948 9.0024 118.8526 54.9908 33.9378 173.8474 47 T 4.6888 9.1819 119.2699 61.6139 71.3803 173.1444 48 N 4.2698 9.8908 125.0497 54.5119 36.2507 175.1775 49 G 3.9777 8.4891 102.9524 45.3914 0.0000 173.1125 50 K 4.7947 7.8960 117.9364 54.5157 35.7086 174.8843 51 E 5.2925 8.9720 118.3618 54.3395 33.8611 176.4125 52 G 4.0088 7.7136 106.5299 46.1359 0.0000 171.3675 53 I 5.3003 7.8878 113.5652 59.9858 40.3984 174.7306 54 F 5.0650 8.4828 116.9730 55.1335 41.8837 171.4255 55 P 3.1900 0.0000 0.0000 61.6322 31.5330 177.4548 56 A 2.8232 7.7839 128.1769 54.8288 18.0859 178.8421 57 N 4.5330 7.5479 109.8531 54.4177 37.7137 175.1739 58 Y 4.6354 8.3110 117.0897 59.3466 38.4885 174.9594 59 V 4.9097 7.5194 112.1370 59.3287 36.1262 175.1611 60 R 4.5474 8.7376 122.2691 54.2556 32.3956 174.9127 61 V 4.1228 8.6869 127.0058 63.3354 32.3499 176.0537 62 S 4.3589 8.7908 122.8817 58.8784 62.7629 174.0354 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 A 8.26 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 5 M 8.29 3.98 0.00 2.23 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 6 A 8.27 4.36 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.39 5.21 4.22 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 1.20 0.00 0.00 8 A 8.82 5.06 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 9 V 8.46 4.55 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 0.94 0.00 0.00 0.89 0.00 0.00 10 A 8.65 4.27 1.06 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 0.00 0.00 11 L 8.98 3.93 0.00 0.87 0.80 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.62 4.99 0.00 2.69 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 13 N 8.99 5.00 0.00 2.74 2.84 0.00 0.00 6.61 7.45 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 14 F 8.91 5.05 0.00 2.64 1.57 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 15 A 8.67 3.74 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 16 G 5.38 3.45 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 0.00 17 E 7.73 4.03 0.00 2.02 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 2.23 2.24 0.00 18 Q 8.01 4.57 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 19 P 0.00 4.26 0.00 2.00 1.98 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 20 G 8.87 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.65 5.35 0.00 2.77 2.76 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 22 L 9.14 4.75 0.00 1.98 2.03 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.64 4.50 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 24 F 8.36 4.94 0.00 3.22 3.14 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 25 K 9.53 5.17 0.00 1.72 1.79 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 26 K 9.08 3.98 0.00 1.74 1.81 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.37 7.81 27 G 8.89 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 0.00 0.00 0.00 28 D 8.08 4.47 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 4.45 2.05 0.00 0.00 0.00 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 0.89 0.00 0.00 30 I 8.56 4.41 1.59 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.27 0.70 0.00 0.00 31 T 8.70 4.45 4.38 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 1.23 0.00 0.00 32 I 8.66 4.53 1.92 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.77 0.81 0.00 0.00 33 L 9.07 4.27 0.00 1.68 1.75 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.68 4.59 0.00 1.78 1.58 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.36 7.81 35 K 8.19 4.35 0.00 0.79 0.74 0.00 0.79 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.82 0.82 7.81 36 S 7.66 4.65 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.60 4.80 0.00 2.73 2.77 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 0.00 0.00 0.00 38 S 8.16 4.87 0.00 3.91 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 39 Q 8.69 3.99 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 40 N 7.94 4.57 0.00 2.70 2.80 0.00 0.00 6.87 7.89 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 41 D 7.24 4.91 0.00 2.89 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 42 W 8.67 4.66 0.00 3.12 3.14 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 43 W 8.21 4.92 0.00 2.20 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 44 T 8.92 5.24 4.41 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 1.36 0.00 0.00 45 G 9.65 4.79 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 46 R 9.00 5.39 0.00 1.91 1.76 0.00 3.14 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 47 T 9.18 4.69 4.22 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 1.29 0.00 0.00 48 N 9.89 4.27 0.00 2.87 2.83 0.00 0.00 7.13 7.65 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 49 G 8.49 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 0.00 0.00 0.00 50 K 7.90 4.79 0.00 1.87 1.72 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.39 7.81 51 E 8.97 5.29 0.00 1.95 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 2.27 2.34 0.00 52 G 7.71 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 0.00 0.00 0.00 53 I 7.89 5.30 2.14 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.32 1.01 0.00 0.00 54 F 8.48 5.07 0.00 3.00 3.44 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 55 P 0.00 3.19 0.00 1.47 0.79 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 56 A 7.78 2.82 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.55 4.53 0.00 2.79 2.94 0.00 0.00 6.03 7.55 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 58 Y 8.31 4.64 0.00 3.34 3.38 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 59 V 7.52 4.91 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 0.32 0.00 0.00 1.28 0.00 0.00 60 R 8.74 4.55 0.00 1.80 1.73 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 61 V 8.69 4.12 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 0.88 0.00 0.00 1.11 0.00 0.00 62 S 8.79 4.36 0.00 3.88 3.74 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