NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3719 8.3049 120.3282 56.4955 32.5803 174.7217 2 Q 3.2627 8.2593 125.2329 56.1230 26.3379 172.1674 3 K 4.3786 8.3416 118.6551 57.9720 35.6508 175.4839 4 D 4.5730 7.7296 118.5436 53.6661 41.6909 176.3047 5 L 4.2000 8.0904 121.1755 54.7151 42.3391 176.9839 6 H 4.3462 9.0319 122.7067 58.7998 31.5773 175.2790 7 P 4.4337 0.0000 0.0000 63.7680 29.9120 176.9210 8 K 4.2291 8.9853 126.5926 55.3836 34.8221 175.5601 9 A 3.8416 8.1129 121.0750 51.3605 17.4949 176.2817 10 V 4.1727 8.1514 113.9924 64.2152 33.4602 173.9403 11 P 4.1786 0.0000 0.0000 63.1623 31.9374 174.6156 12 C 3.8849 9.7627 112.9254 60.7442 24.8784 174.0330 13 K 4.1528 8.1582 118.0232 57.5232 36.6557 170.9131 14 I 3.1172 8.2570 131.7823 61.7876 36.4098 172.2845 15 I 4.4448 7.6254 118.9782 59.5869 41.1882 172.3407 16 Y 4.3921 8.2170 120.1220 57.0965 39.2394 176.6792 17 Q 4.0359 8.7998 114.7360 56.6719 27.6795 171.3067 18 G 3.5556 6.3652 106.6538 44.3542 0.0000 170.8105 19 Q 5.3175 7.9203 119.2069 53.8890 31.2037 174.7088 20 V 4.2367 8.0783 117.7601 62.1459 32.7659 175.3248 21 V 3.1661 8.3500 121.7407 62.4106 28.9194 170.4841 22 M 4.7459 7.3238 128.0903 55.0310 35.5047 176.2304 23 E 4.4351 8.0661 126.3626 55.3262 29.8228 174.0456 24 T 3.1912 7.8165 119.9089 64.4306 65.5041 170.5528 25 M 4.2161 7.4418 130.5110 54.4928 39.2363 175.3734 26 S 4.5571 8.2051 114.6669 59.4243 65.0704 174.5657 27 T 4.5104 7.4759 110.4883 58.3535 70.6316 173.5916 28 R 3.7883 8.8490 124.9473 56.1905 30.4336 174.7841 29 P 4.6472 0.0000 0.0000 61.6513 33.7496 176.1141 30 E 3.6973 8.8422 119.4755 57.0827 27.8713 176.6697 31 I 3.9164 7.9516 126.3764 58.8517 41.7142 174.1400 32 H 4.5943 8.4866 120.2582 55.7919 27.9607 175.1761 33 V 4.6185 7.0367 116.7078 61.1935 35.2482 173.6978 34 D 4.8656 7.7933 117.7128 53.7084 40.2322 175.0766 35 V 4.7459 6.9244 112.7031 59.7052 36.0789 175.7599 36 W 4.7598 8.8441 120.6604 57.1342 30.1829 177.0332 37 S 4.3736 7.7684 115.5211 59.8231 65.5307 173.8518 38 G 4.1687 7.6731 114.5964 46.7422 0.0000 171.6938 39 V 4.5138 7.8647 118.1458 61.2454 34.6658 174.3158 40 H 5.2054 8.4134 121.0903 53.7101 33.6016 172.2778 41 P 4.9809 0.0000 0.0000 63.1299 32.4968 173.9480 42 F 3.7569 8.7707 118.8355 56.4212 42.4605 171.6463 43 W 5.2316 8.6657 123.6370 57.8961 32.3712 172.1065 44 T 3.6178 9.9567 124.1938 64.5294 67.7784 171.3855 45 G 4.1738 7.9245 112.3565 45.8256 0.0000 171.7477 46 E 4.7524 9.2793 118.5592 56.5137 30.6216 177.1706 47 E 4.7171 9.1747 120.0835 55.3738 33.6626 172.7587 48 R 4.6187 8.1791 122.3449 54.4712 33.2438 174.1268 49 F 4.0035 8.7174 122.7931 60.1919 39.4219 173.5961 50 L 3.2095 8.0212 129.6016 55.2334 38.9250 172.3583 51 D 4.5518 7.5951 120.3623 53.1466 40.4781 176.1629 52 T 4.6705 7.9197 117.4756 64.2146 74.3780 173.4417 53 E 4.7686 8.1244 118.9257 58.6787 37.4300 175.4739 54 G 4.1494 7.9133 105.7648 44.6815 0.0000 173.0945 55 R 4.6448 8.4107 120.1951 56.8122 36.3984 177.6628 56 V 3.2732 7.5394 114.2543 63.4720 32.6903 174.9457 57 D 4.4549 7.9550 119.2198 54.6817 44.7753 173.8736 58 K 4.5746 8.2410 120.3022 58.6364 35.2293 176.4813 59 F 4.5349 8.1123 123.8247 57.8966 40.0389 176.0705 60 N 4.9293 7.2869 112.4059 50.6974 39.5246 173.5522 61 K 4.4834 7.3333 121.8493 57.8011 37.0895 175.5365 62 R 3.8037 7.4572 116.8264 59.1985 30.2246 176.5942 63 F 4.6272 7.1460 116.2599 57.6737 38.9361 177.4839 64 G 4.0845 7.5325 112.8147 44.1712 0.0000 174.6014 65 D 4.5615 7.7771 127.0115 52.6986 42.6373 176.2165 66 S 4.6735 8.1261 113.4427 60.2712 68.4473 175.2812 67 Y 4.3908 8.1000 119.8271 57.4746 35.1470 175.7321 68 R 4.4918 7.4665 120.0523 55.9722 32.6733 177.3053 69 R 4.6043 8.6191 114.0155 56.8422 33.8576 174.0773 70 G 3.3663 7.5300 106.0167 44.2466 0.0000 172.7926 71 S 4.5466 7.3272 119.1422 58.4823 65.5679 175.8308 72 K 4.3354 8.2121 115.6384 56.9752 33.7203 174.9797 73 K 4.0669 8.3593 126.4160 57.2404 32.0307 176.3019 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 8.30 4.37 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 2 Q 8.26 3.26 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 3 K 8.34 4.38 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 D 7.73 4.57 0.00 2.72 2.60 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 0.00 0.00 0.00 0.00 5 L 8.09 4.20 0.00 1.64 1.85 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.03 4.35 0.00 3.07 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.32 1.70 0.00 3.75 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 2.23 2.13 0.00 8 K 8.99 4.23 0.00 1.65 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 9 A 8.11 3.84 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 10 V 8.15 4.17 2.38 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 0.90 0.00 0.00 0.97 0.00 0.00 11 P 0.00 4.18 0.00 2.12 2.06 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 12 C 9.76 3.88 0.00 3.18 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.15 0.00 1.69 1.60 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 14 I 8.26 3.12 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 1.47 1.30 0.89 0.00 0.00 15 I 7.63 4.44 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 -0.49 0.00 0.00 16 Y 8.22 4.39 0.00 2.85 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 17 Q 8.80 4.04 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 18 G 6.37 3.56 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 0.00 0.00 0.00 19 Q 7.92 5.32 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 20 V 8.08 4.24 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 1.03 0.00 0.00 21 V 8.35 3.17 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 0.83 0.00 0.00 0.94 0.00 0.00 22 M 7.32 4.75 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 E 8.07 4.44 0.00 1.85 1.79 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 2.16 2.25 0.00 24 T 7.82 3.19 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 1.20 0.00 0.00 25 M 7.44 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 26 S 8.21 4.56 0.00 4.00 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 27 T 7.48 4.51 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 28 R 8.85 3.79 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 P 0.00 4.65 0.00 2.35 2.03 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 30 E 8.84 3.70 0.00 1.86 1.75 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 2.12 1.70 0.00 31 I 7.95 3.92 1.82 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 1.40 1.69 0.87 0.00 0.00 32 H 8.49 4.59 0.00 3.41 3.51 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 33 V 7.04 4.62 2.38 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 1.35 0.00 0.00 1.18 0.00 0.00 34 D 7.79 4.87 0.00 2.79 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 35 V 6.92 4.75 2.23 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 1.05 0.00 0.00 0.99 0.00 0.00 36 W 8.84 4.76 0.00 3.25 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 37 S 7.77 4.37 0.00 3.88 3.70 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 38 G 7.67 4.17 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 0.00 39 V 7.86 4.51 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 0.89 0.00 0.00 0.93 0.00 0.00 40 H 8.41 5.21 0.00 3.03 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.98 0.00 2.20 1.85 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.25 0.00 42 F 8.77 3.76 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 5.23 0.00 3.45 2.97 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 44 T 9.96 3.62 4.36 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 1.28 0.00 0.00 45 G 7.92 4.17 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 0.00 46 E 9.28 4.75 0.00 1.93 1.59 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 2.23 2.24 0.00 47 E 9.17 4.72 0.00 1.86 1.77 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 2.19 2.27 0.00 48 R 8.18 4.62 0.00 1.82 1.77 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 49 F 8.72 4.00 0.00 3.02 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 50 L 8.02 3.21 0.00 0.65 1.43 0.63 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.60 4.55 0.00 2.78 2.60 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 0.00 0.00 0.00 0.00 52 T 7.92 4.67 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 1.18 0.00 0.00 53 E 8.12 4.77 0.00 1.88 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 2.19 2.20 0.00 54 G 7.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.64 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 56 V 7.54 3.27 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 0.81 0.00 0.00 1.05 0.00 0.00 57 D 7.95 4.45 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.57 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 F 8.11 4.53 0.00 2.84 2.98 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 60 N 7.29 4.93 0.00 2.69 2.71 0.00 0.00 6.96 7.61 0.00 0.00 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 K 7.33 4.48 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 62 R 7.46 3.80 0.00 1.28 1.69 0.00 3.36 0.00 0.00 3.24 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 63 F 7.15 4.63 0.00 2.91 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 7.53 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.78 4.56 0.00 2.70 2.66 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 66 S 8.13 4.67 0.00 3.74 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 67 Y 8.10 4.39 0.00 2.90 3.01 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 68 R 7.47 4.49 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 R 8.62 4.60 0.00 1.89 2.03 0.00 3.47 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 G 7.53 3.37 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 0.00 71 S 7.33 4.55 0.00 3.95 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 72 K 8.21 4.34 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.33 7.81 73 K 8.36 4.07 0.00 1.75 1.84 0.00 1.81 0.00 0.00 2.14 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81