NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4889 8.1476 118.1516 54.6499 32.8468 176.1236 2 E 3.9117 8.5135 118.0299 59.3909 29.3890 177.6413 3 Y 4.0308 7.9972 117.5537 60.6225 38.4258 179.3166 4 V 3.5779 7.6760 118.8111 66.2310 31.6910 177.4665 5 Y 4.4055 7.5151 115.8095 61.1309 37.6660 178.6145 6 A 3.9995 8.2847 121.4275 55.1101 18.4255 179.5446 7 A 3.9926 8.1018 119.2694 55.3897 18.4115 179.9356 8 L 4.0119 8.4868 118.0015 57.5653 41.2590 179.3040 9 L 3.9469 8.2598 120.6040 58.2167 42.0893 178.7534 10 L 4.0274 8.0009 118.7508 58.3194 41.6630 179.0751 11 H 4.1302 8.5925 118.3590 59.4274 29.6091 177.4094 12 S 4.2695 8.3017 114.7323 60.2397 62.7808 175.1566 13 V 4.1752 7.0944 118.7463 60.8253 31.4593 175.8310 14 G 3.8274 7.9197 107.6045 46.7712 0.0000 173.8660 15 K 4.5367 8.2105 118.4054 53.8851 33.8614 176.4605 16 E 3.9803 8.5348 122.9203 56.3783 30.1146 176.9902 17 I 4.2440 8.1503 126.9329 60.2106 36.6911 174.2084 18 N 4.8864 7.9617 123.2653 50.7152 40.0770 174.2396 19 E 3.9123 9.0814 117.0350 60.0564 29.5511 179.3939 20 E 3.9542 8.0865 117.7452 59.6756 29.6791 179.0609 21 N 4.3872 8.0842 115.9212 56.1504 38.6955 177.3485 22 L 3.9913 8.1697 120.5874 57.6482 41.6877 179.3190 23 K 3.8881 8.3023 119.3888 59.6465 32.1592 178.4874 24 A 3.9766 8.0001 120.8674 55.1815 18.0435 179.8304 25 V 3.5164 7.5582 115.5999 66.1223 32.0832 178.0288 26 L 4.0737 7.9331 118.7323 57.9029 41.4371 179.2895 27 Q 4.3571 8.5922 119.3100 58.4850 28.4527 179.1474 28 A 4.0122 7.7605 120.0956 54.6009 18.4873 178.8781 29 A 4.1812 7.5820 117.4697 53.1947 18.5612 178.3499 30 G 3.9111 8.1824 105.6794 45.1115 0.0000 173.6752 31 V 4.3807 7.4437 111.7199 59.0636 34.5326 174.9343 32 E 4.5136 8.5192 122.1889 54.5453 29.2121 174.9510 33 P 4.5371 0.0000 0.0000 62.1863 32.5537 176.2317 34 E 4.2661 10.1810 122.3921 55.3483 30.2196 176.6991 35 E 3.8765 8.9447 127.5794 59.6130 29.6530 178.3885 36 A 3.9162 8.2961 120.4435 55.3987 18.3861 179.8912 37 R 3.6567 7.5908 115.8754 58.9410 30.1266 179.0400 38 I 3.5649 7.2891 119.6095 64.4029 37.1297 178.6248 39 K 3.9276 8.2054 119.1849 59.3667 31.7625 179.3082 40 A 3.9268 7.9081 121.0877 54.9533 18.2948 179.5289 41 L 3.8212 7.7943 118.8349 58.1254 41.9881 179.0092 42 V 3.5565 7.6296 116.8005 66.1813 31.7605 177.4283 43 A 4.1050 8.1431 119.9883 55.2925 18.0364 179.5417 44 A 4.0122 8.1267 118.0630 54.6429 18.7241 178.8933 45 L 4.3154 7.9314 115.8720 54.0735 42.0733 176.6391 46 E 4.1117 7.3347 119.5896 57.7248 29.7125 177.7920 47 G 3.8628 8.8100 110.5693 45.6814 0.0000 173.4284 48 V 3.6750 7.5693 120.5532 62.1997 31.9942 175.7685 49 N 4.6353 8.5482 126.1270 52.4585 38.9307 175.1499 50 I 3.6745 8.0490 129.8679 64.2485 37.2691 177.9026 51 D 4.3786 8.1006 119.2446 57.5023 40.7864 178.3677 52 E 3.9138 8.3528 119.4747 59.1228 29.3592 178.9904 53 V 3.5677 7.6949 117.5565 65.9560 31.9230 177.9002 54 I 3.8606 7.8526 119.4104 64.6108 36.8495 178.3967 55 E 4.0918 8.1979 118.0171 58.7430 29.3063 178.6631 56 K 4.2792 7.7461 116.3967 56.6237 33.1067 176.1319 57 A 4.4252 7.2572 122.4715 50.9242 21.6778 176.6605 58 A 4.1905 7.8266 120.8866 52.2548 18.7517 176.9355 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 M 8.15 4.49 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.72 0.00 2 E 8.51 3.91 0.00 2.03 2.18 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 1.72 1.79 0.00 3 Y 8.00 4.03 0.00 3.02 3.05 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 4 V 7.68 3.58 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.88 0.00 0.00 5 Y 7.52 4.41 0.00 3.03 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 6 A 8.28 4.00 1.42 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 0.00 0.00 7 A 8.10 3.99 1.43 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 0.00 0.00 8 L 8.49 4.01 0.00 2.06 1.82 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.26 3.95 0.00 1.86 1.95 0.93 0.92 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 10 L 8.00 4.03 0.00 2.12 1.76 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.59 4.13 0.00 3.30 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.30 4.27 0.00 4.07 4.10 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 0.00 0.00 0.00 13 V 7.09 4.18 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 0.73 0.00 0.00 0.93 0.00 0.00 14 G 7.92 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 0.00 0.00 0.00 15 K 8.21 4.54 0.00 1.85 1.75 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.36 7.81 16 E 8.53 3.98 0.00 1.94 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 2.31 2.35 0.00 17 I 8.15 4.24 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.94 0.00 0.00 18 N 7.96 4.89 0.00 2.85 2.91 0.00 0.00 5.77 7.66 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 19 E 9.08 3.91 0.00 2.03 2.00 0.00 0.00 0.00 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 2.38 0.00 20 E 8.09 3.95 0.00 2.10 1.99 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 2.41 2.47 0.00 21 N 8.08 4.39 0.00 2.75 2.88 0.00 0.00 7.04 6.74 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 22 L 8.17 3.99 0.00 1.85 1.82 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.30 3.89 0.00 1.94 2.02 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.50 7.81 24 A 8.00 3.98 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 25 V 7.56 3.52 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 0.87 0.00 0.00 0.96 0.00 0.00 26 L 7.93 4.07 0.00 1.71 1.65 0.63 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.59 4.36 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 28 A 7.76 4.01 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 29 A 7.58 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 4.38 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 0.80 0.00 0.00 0.90 0.00 0.00 32 E 8.52 4.51 0.00 1.97 1.94 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 2.29 2.25 0.00 33 P 0.00 4.54 0.00 2.42 2.13 0.00 3.79 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 2.06 2.01 0.00 34 E 10.18 4.27 0.00 2.03 1.90 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 2.26 2.36 0.00 35 E 8.94 3.88 0.00 2.12 1.94 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 2.38 2.45 0.00 36 A 8.30 3.92 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 37 R 7.59 3.66 0.00 0.94 1.05 0.00 3.11 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 38 I 7.29 3.56 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.87 0.94 0.00 0.00 39 K 8.21 3.93 0.00 1.82 1.82 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.53 7.81 40 A 7.91 3.93 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 41 L 7.79 3.82 0.00 1.75 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.63 3.56 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 0.87 0.00 0.00 1.03 0.00 0.00 43 A 8.14 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.01 1.36 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 0.00 0.00 0.00 45 L 7.93 4.32 0.00 1.92 1.69 0.92 0.62 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 46 E 7.33 4.11 0.00 2.03 1.90 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 2.58 2.41 0.00 47 G 8.81 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 0.00 0.00 0.00 48 V 7.57 3.67 2.18 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 0.74 0.00 0.00 0.98 0.00 0.00 49 N 8.55 4.64 0.00 2.79 2.71 0.00 0.00 7.20 7.95 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 50 I 8.05 3.67 1.53 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.51 0.76 0.00 0.00 51 D 8.10 4.38 0.00 2.86 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 52 E 8.35 3.91 0.00 2.07 2.19 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 2.31 2.32 0.00 53 V 7.69 3.57 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 0.88 0.00 0.00 0.95 0.00 0.00 54 I 7.85 3.86 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.75 0.93 0.00 0.00 55 E 8.20 4.09 0.00 2.11 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 0.00 2.36 2.48 0.00 56 K 7.75 4.28 0.00 1.94 2.18 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.45 7.81 57 A 7.26 4.43 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 58 A 7.83 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00