NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5455 0.0000 0.0000 62.6009 33.5849 174.7589 2 M 5.2706 8.6569 121.1075 53.3173 35.1702 173.5221 3 I 4.8892 8.9911 124.3021 59.4792 41.4425 174.3959 4 S 5.3273 8.8552 119.5306 56.7319 66.4624 172.9429 5 C 4.7901 8.9735 121.3231 57.9959 34.4234 172.2346 6 D 5.4228 8.8622 126.8997 53.5310 41.8116 175.7743 7 M 4.4404 8.9475 119.7419 53.6988 35.1762 174.3102 8 R 4.5255 7.6470 118.3443 56.1589 30.8251 176.5720 9 Y 4.3113 8.5988 120.5547 59.4466 38.2449 176.0249 10 G 3.8769 9.2138 109.6012 45.6989 0.0000 174.7834 11 R 4.2830 7.6356 119.9397 55.9428 30.9742 177.0659 12 T 4.2950 8.8069 112.7418 61.2868 71.1499 175.6848 13 D 4.3803 8.5628 121.1994 57.5160 40.8059 178.7507 14 E 3.9661 8.1175 119.3911 59.3317 29.6992 178.6952 15 Q 4.0294 8.1583 118.1649 58.9486 28.6966 178.9652 16 K 4.0209 8.1517 119.5275 59.5051 32.0100 179.6660 17 R 3.9303 8.2174 118.2240 59.1154 29.9648 178.9923 18 A 3.9735 8.1399 120.7393 54.8275 18.2784 179.4499 19 L 3.8664 8.1434 119.2456 58.3044 42.1680 179.4187 20 S 3.7686 8.3826 114.1657 61.2614 62.9655 176.0814 21 A 4.0353 8.2179 124.8106 54.8135 18.1154 179.9376 22 G 3.4361 8.0534 104.0062 47.9323 0.0000 176.0095 23 L 3.8619 7.8881 122.0157 57.2743 41.4702 179.6105 24 L 3.8559 8.0346 119.3285 57.6000 41.5301 179.4322 25 R 3.8295 7.8496 118.5653 59.7598 30.0641 179.0888 26 V 3.6599 7.7481 112.0383 64.2764 31.4804 178.7595 27 I 3.6854 7.9329 119.9012 64.3191 36.9122 178.3582 28 S 4.3084 8.2148 115.5663 60.8146 61.9706 175.8763 29 E 3.8986 8.0140 120.8924 59.1006 29.4506 178.4120 30 A 4.1175 7.8396 120.1532 55.0038 18.6313 178.9920 31 T 4.2831 8.0531 106.0177 61.4709 69.7406 176.2013 32 G 3.9360 8.1992 109.0600 45.2682 0.0000 173.2092 33 E 4.2700 7.8811 120.4612 54.7803 30.4387 174.8936 34 P 4.4920 0.0000 0.0000 62.0155 32.6567 177.4551 35 R 3.9176 8.4989 117.5764 59.2950 30.1297 179.2013 36 E 4.0392 8.2732 116.3276 58.8639 29.5338 177.2844 37 N 4.9094 8.2419 114.4897 52.7377 38.8063 174.2010 38 I 4.9080 7.6923 119.2649 59.4348 39.9523 174.7862 39 F 5.0626 9.2218 128.2950 56.3757 42.4141 173.6385 40 F 5.4214 7.5882 126.4149 56.3160 42.4630 173.8744 41 V 3.9249 8.1620 124.5358 59.6974 34.4534 174.2495 42 I 4.4565 7.7244 124.5571 59.7487 38.9037 175.0301 43 R 4.5288 9.1630 125.9543 54.4269 32.5388 174.7060 44 E 5.3477 7.9987 123.1291 54.1204 31.9690 175.2283 45 G 4.3770 8.0761 108.3478 45.1457 0.0000 172.2672 46 S 4.9808 9.0094 115.7746 57.8864 63.8716 175.9639 47 G 3.9339 9.2287 111.1534 48.2637 0.0000 175.9948 48 I 3.7870 7.9395 118.6377 63.5608 37.9672 176.0483 49 N 4.5778 8.1417 115.5935 53.9499 38.7413 174.6903 50 F 4.6735 8.6204 118.5990 55.3172 41.5745 174.3146 51 V 4.7217 8.4046 124.2653 60.9970 33.7438 174.2906 52 Q 4.4445 8.5199 127.5070 55.7289 31.8590 174.3488 53 H 4.1702 9.7527 119.3671 56.8938 26.3820 176.1620 54 G 4.0067 8.5423 106.0204 45.4922 0.0000 173.9581 55 E 4.7891 7.8815 119.4654 54.4116 32.1349 175.0242 56 H 4.9851 8.7122 119.8375 55.7666 29.4799 175.4156 57 L 4.4749 8.7931 123.2388 53.9706 42.5134 175.1836 58 P 4.6974 0.0000 0.0000 61.9777 33.2815 175.2977 59 D 4.6457 8.5700 119.7935 54.2062 41.5857 176.1600 60 Y 4.1611 8.6182 123.3481 57.6474 39.4133 174.9959 61 V 3.8774 7.3863 125.8705 59.8669 33.3499 173.2854 62 P 3.9455 0.0000 0.0000 63.4738 31.7635 176.6145 63 G 3.9844 8.7298 109.8180 45.7715 0.0000 173.1074 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 P 0.00 4.55 0.00 2.12 2.05 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.66 5.27 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.80 0.00 3 I 8.99 4.89 1.98 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 1.29 0.91 0.91 0.00 0.00 4 S 8.86 5.33 0.00 3.83 3.85 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 5 C 8.97 4.79 0.00 3.26 2.90 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 6 D 8.86 5.42 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.95 4.44 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 8 R 7.65 4.53 0.00 1.48 1.89 0.00 3.33 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.00 9 Y 8.60 4.31 0.00 2.91 2.87 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 10 G 9.21 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 11 R 7.64 4.28 0.00 1.68 1.80 0.00 2.43 0.00 0.00 2.85 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 12 T 8.81 4.30 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 1.30 0.00 0.00 13 D 8.56 4.38 0.00 2.75 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 14 E 8.12 3.97 0.00 2.09 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 2.38 2.47 0.00 15 Q 8.16 4.03 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 16 K 8.15 4.02 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.62 7.81 17 R 8.22 3.93 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 18 A 8.14 3.97 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 19 L 8.14 3.87 0.00 1.88 1.93 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.38 3.77 0.00 4.21 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 0.00 21 A 8.22 4.04 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 22 G 8.05 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 0.00 0.00 0.00 23 L 7.89 3.86 0.00 1.41 1.25 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.03 3.86 0.00 1.78 1.66 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.85 3.83 0.00 1.95 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.75 3.66 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 0.76 0.00 0.00 0.93 0.00 0.00 27 I 7.93 3.69 1.89 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 1.44 0.79 0.89 0.00 0.00 28 S 8.21 4.31 0.00 3.97 3.97 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 0.00 0.00 0.00 29 E 8.01 3.90 0.00 2.06 2.10 0.00 0.00 0.00 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 2.36 0.00 30 A 7.84 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 31 T 8.05 4.28 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 1.26 0.00 0.00 32 G 8.20 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 33 E 7.88 4.27 0.00 2.05 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 2.31 2.39 0.00 34 P 0.00 4.49 0.00 2.22 2.18 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 35 R 8.50 3.92 0.00 1.90 2.04 0.00 3.13 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 36 E 8.27 4.04 0.00 1.97 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 0.00 2.33 2.35 0.00 37 N 8.24 4.91 0.00 2.84 2.84 0.00 0.00 6.79 8.08 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 38 I 7.69 4.91 1.89 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 1.13 0.76 0.92 0.00 0.00 39 F 9.22 5.06 0.00 3.16 2.94 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 40 F 7.59 5.42 0.00 2.70 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 41 V 8.16 3.92 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 0.72 0.00 0.00 0.85 0.00 0.00 42 I 7.72 4.46 1.61 0.00 0.00 0.78 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 -0.30 0.76 0.00 0.00 43 R 9.16 4.53 0.00 1.77 1.75 0.00 3.20 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 44 E 8.00 5.35 0.00 1.16 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 1.92 1.86 0.00 45 G 8.08 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 0.00 0.00 0.00 0.00 46 S 9.01 4.98 0.00 4.03 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 47 G 9.23 3.93 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 0.00 0.00 0.00 48 I 7.94 3.79 1.93 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 1.42 0.78 0.97 0.00 0.00 49 N 8.14 4.58 0.00 2.92 2.54 0.00 0.00 6.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.62 4.67 0.00 3.21 2.94 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 51 V 8.40 4.72 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 0.74 0.00 0.00 0.60 0.00 0.00 52 Q 8.52 4.44 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.01 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 53 H 9.75 4.17 0.00 3.34 3.34 0.00 5.81 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 54 G 8.54 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 55 E 7.88 4.79 0.00 2.07 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 2.25 2.27 0.00 56 H 8.71 4.99 0.00 3.06 3.30 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.79 4.47 0.00 1.81 1.65 0.87 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.70 0.00 2.14 2.21 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 59 D 8.57 4.65 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.62 4.16 0.00 2.97 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 61 V 7.39 3.88 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 0.76 0.00 0.00 0.88 0.00 0.00 62 P 0.00 3.95 0.00 2.00 2.01 0.00 3.57 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 63 G 8.73 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