NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8488 8.3544 109.7370 45.6882 0.0000 174.6178 2 S 4.4534 8.6065 121.1829 54.3302 63.4384 171.8274 3 S 4.6377 8.7700 123.4682 57.8146 65.8040 171.7921 4 G 3.9909 7.6505 115.5379 42.9630 0.0000 173.5400 5 S 3.5965 8.8979 114.4221 59.1567 59.8323 173.2718 6 S 4.2621 8.0989 115.0583 58.6812 62.6446 173.9591 7 G 3.6415 8.7243 112.6234 45.1447 0.0000 171.0324 8 K 4.4840 7.8633 121.0162 54.3028 35.8115 174.6801 9 I 4.8751 8.0014 122.3988 59.7488 39.6006 175.1179 10 M 5.0019 8.9525 125.7192 53.5222 36.8500 174.3514 11 I 4.9638 7.9735 120.3381 59.3117 41.1530 175.2820 12 A 4.5074 8.4489 127.9631 51.6394 17.9299 177.9857 13 A 4.1264 8.8354 124.6867 55.3469 18.9360 177.0749 14 L 4.8930 7.6134 113.1130 52.8894 46.4707 176.3992 15 D 4.7811 8.7295 120.5328 53.1099 39.9958 175.0504 16 Y 4.6433 8.8401 127.0932 56.5344 39.8147 174.1620 17 D 5.0753 8.2099 127.8455 51.8583 40.3088 174.4495 18 P 4.1351 0.0000 0.0000 63.7767 32.1500 178.6831 19 G 3.6453 7.9080 107.9291 48.3238 0.0000 172.9267 20 D 4.4288 7.4278 118.1716 54.3165 39.9282 176.0634 21 G 3.7509 8.4407 118.2844 45.4094 0.0000 171.1498 22 Q 4.0867 7.8255 117.0864 55.2718 29.4896 176.3128 23 M 4.1583 8.3150 116.9827 55.3479 30.8459 175.9821 24 G 3.7511 7.9547 108.2467 46.3019 0.0000 176.6303 25 G 3.9041 7.6326 111.7588 45.6575 0.0000 172.3336 26 Q 3.6132 8.9189 115.3073 55.2402 27.1555 175.7048 27 G 4.3250 7.0781 109.4713 45.8785 0.0000 174.5898 28 K 4.5132 8.1887 123.2145 54.4183 35.7981 175.5862 29 G 3.7906 8.5190 111.7281 45.6687 0.0000 172.7216 30 R 4.4926 8.1140 118.7102 55.4450 31.3211 175.6995 31 L 4.7492 8.0134 118.7382 53.3495 43.3070 176.8295 32 A 4.4045 8.5661 125.2450 51.6733 19.1019 176.7587 33 L 4.8004 8.7099 122.5032 53.4542 44.9240 175.8060 34 R 4.9322 8.4944 120.0245 53.9431 33.8446 174.0600 35 A 4.4085 8.7299 127.1247 56.2467 17.8483 177.3511 36 G 3.8951 8.9143 111.0659 46.3839 0.0000 172.1918 37 D 4.6227 8.1439 121.0486 52.2671 41.7214 176.3547 38 V 4.2566 8.4149 124.7250 63.0591 31.4174 175.0978 39 V 4.3979 8.8224 128.4511 60.0671 34.4142 174.4058 40 M 4.7246 8.0020 123.3305 54.3585 33.9698 175.7013 41 V 4.8412 7.9362 119.0933 60.1266 35.2185 174.1328 42 Y 4.8328 8.5015 118.3193 57.7836 41.9374 177.2003 43 G 3.9797 9.0942 113.8618 44.1106 0.0000 170.5903 44 P 4.8012 0.0000 0.0000 62.6538 32.3834 174.5123 45 M 4.5833 8.3641 116.2814 54.1459 33.5057 173.7022 46 D 4.8581 7.8907 118.0698 51.5754 41.8472 176.3783 47 D 4.3614 8.6901 117.5959 57.7462 41.1284 177.7921 48 Q 4.1284 8.1118 116.7430 57.3952 29.0566 176.5753 49 G 3.8366 8.5757 106.6331 45.6302 0.0000 172.3560 50 F 4.8629 9.0512 117.8278 55.5246 41.9648 175.4879 51 Y 5.0510 9.1119 120.9886 57.4207 40.6422 174.2357 52 Y 5.0958 8.9796 122.4188 56.5107 40.1083 174.1584 53 G 4.5298 8.5658 114.3087 44.9881 0.0000 168.6864 54 E 5.6667 8.5860 115.6412 54.7647 33.2623 174.5675 55 L 4.6418 8.6432 124.1800 55.8163 43.7314 175.7015 56 G 3.8015 8.7703 115.5198 46.0749 0.0000 172.8399 57 G 3.7783 8.3784 104.7232 45.7379 0.0000 173.6870 58 H 4.7739 7.8538 116.2373 53.6594 31.1707 173.5227 59 R 4.5881 8.6521 123.6438 54.8870 31.1780 175.9743 60 G 4.2158 7.4469 107.5692 46.2613 0.0000 171.1880 61 L 4.9721 7.9364 119.9507 54.5133 42.8920 177.0769 62 V 5.0059 9.1897 117.4910 58.5715 35.0638 173.3045 63 P 3.8768 0.0000 0.0000 62.6174 32.0562 176.1650 64 A 4.9371 7.7890 125.8033 52.0867 18.5486 177.1978 65 H 4.7204 7.7176 112.8407 56.7757 30.8680 175.2726 66 L 4.1242 7.1982 119.4916 57.0416 42.6653 177.5898 67 L 4.7534 7.2262 117.5655 54.6900 42.7168 176.2823 68 D 4.7653 8.7635 119.1565 52.8307 44.7679 174.2530 69 H 4.6199 9.0483 122.8189 55.3991 28.6614 175.2217 70 M 4.1603 8.6723 123.4909 55.4960 32.4051 175.6079 71 S 4.6765 8.1703 113.9550 56.1717 66.0223 173.1073 72 L 4.2266 8.1957 122.5448 53.9221 41.6657 175.7723 73 H 4.6853 8.3558 122.0405 55.2268 29.8385 174.7387 74 G 4.1768 7.8999 105.8014 45.2812 0.0000 173.3104 75 H 4.4194 8.7697 119.1086 55.7941 29.6801 173.4396 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 G 8.35 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 0.00 0.00 0.00 2 S 8.61 4.45 0.00 3.90 3.76 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 3 S 8.77 4.64 0.00 4.03 3.86 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 0.00 0.00 0.00 4 G 7.65 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 5 S 8.90 3.60 0.00 4.03 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 6 S 8.10 4.26 0.00 4.09 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 7 G 8.72 3.64 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 0.00 0.00 0.00 8 K 7.86 4.48 0.00 1.62 1.39 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.58 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.18 1.27 7.81 9 I 8.00 4.88 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.85 0.00 0.00 10 M 8.95 5.00 0.00 1.77 1.78 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 11 I 7.97 4.96 1.85 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 1.15 0.79 0.93 0.00 0.00 12 A 8.45 4.51 1.40 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 0.00 0.00 13 A 8.84 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 14 L 7.61 4.89 0.00 1.49 1.55 0.91 1.05 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 15 D 8.73 4.78 0.00 2.71 2.75 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 16 Y 8.84 4.64 0.00 3.05 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 17 D 8.21 5.08 0.00 2.76 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.04 1.57 0.00 3.51 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 19 G 7.91 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.43 4.43 0.00 2.66 2.59 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 0.00 0.00 0.00 0.00 21 G 8.44 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 22 Q 7.83 4.09 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 23 M 8.32 4.16 0.00 2.04 2.07 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 2.54 2.70 0.00 24 G 7.95 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 25 G 7.63 3.90 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 0.00 0.00 0.00 26 Q 8.92 3.61 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.11 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 27 G 7.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.51 0.00 1.74 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.45 7.81 29 G 8.52 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 30 R 8.11 4.49 0.00 1.94 2.28 0.00 3.33 0.00 0.00 3.70 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 0.00 31 L 8.01 4.75 0.00 1.58 1.64 1.04 1.14 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 32 A 8.57 4.40 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.71 4.80 0.00 1.76 1.63 0.99 0.53 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 34 R 8.49 4.93 0.00 1.96 2.06 0.00 3.18 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 35 A 8.73 4.41 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 36 G 8.91 3.90 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 0.00 0.00 0.00 37 D 8.14 4.62 0.00 2.90 2.65 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 0.00 0.00 0.00 0.00 38 V 8.41 4.26 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 0.71 0.00 0.00 0.92 0.00 0.00 39 V 8.82 4.40 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 0.76 0.00 0.00 0.97 0.00 0.00 40 M 8.00 4.72 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 41 V 7.94 4.84 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 0.67 0.00 0.00 0.53 0.00 0.00 42 Y 8.50 4.83 0.00 2.98 2.89 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 43 G 9.09 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 44 P 0.00 4.80 0.00 2.29 2.23 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 45 M 8.36 4.58 0.00 0.91 1.85 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 46 D 7.89 4.86 0.00 2.97 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 47 D 8.69 4.36 0.00 2.66 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 48 Q 8.11 4.13 0.00 2.52 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.99 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 49 G 8.58 3.84 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 0.00 0.00 0.00 50 F 9.05 4.86 0.00 3.34 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 51 Y 9.11 5.05 0.00 2.94 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 52 Y 8.98 5.10 0.00 3.14 3.22 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 0.00 53 G 8.57 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 5.67 0.00 2.09 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 0.00 2.24 2.11 0.00 55 L 8.64 4.64 0.00 1.56 1.60 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.77 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 57 G 8.38 3.78 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 0.00 0.00 0.00 58 H 7.85 4.77 0.00 3.16 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.65 4.59 0.00 1.82 1.80 0.00 3.38 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 60 G 7.45 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 0.00 0.00 0.00 0.00 61 L 7.94 4.97 0.00 1.61 1.69 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 V 9.19 5.01 2.20 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 0.86 0.00 0.00 1.12 0.00 0.00 63 P 0.00 3.88 0.00 1.42 1.49 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.33 0.00 64 A 7.79 4.94 0.84 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 0.00 0.00 65 H 7.72 4.72 0.00 3.15 3.25 0.00 5.53 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.20 4.12 0.00 1.38 1.62 0.43 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.23 4.75 0.00 1.35 1.55 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.76 4.77 0.00 2.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.05 4.62 0.00 3.03 3.27 0.00 5.97 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.67 4.16 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 71 S 8.17 4.68 0.00 3.92 3.83 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 72 L 8.20 4.23 0.00 1.59 1.60 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.36 4.69 0.00 3.29 3.33 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 74 G 7.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.77 4.42 0.00 3.07 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00