NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4714 8.1627 118.3250 55.3767 33.6731 172.9988 2 Q 4.8836 8.2271 118.9412 52.4617 31.9561 172.5812 3 I 4.6059 9.1951 119.6665 59.1341 42.4365 173.2427 4 F 5.4332 8.8599 120.4636 55.7077 42.7404 174.9151 5 V 4.9239 9.0195 121.1580 61.2434 34.6298 174.2623 6 K 5.5331 9.4443 127.5017 53.6832 35.7514 176.6879 7 T 4.7406 8.3363 113.8380 60.4021 69.8649 175.2597 8 L 4.1041 8.2644 120.7507 57.7037 41.7421 179.1209 9 T 3.9140 7.5987 114.5539 64.9909 68.4077 175.4534 10 G 4.0019 8.0138 108.6331 44.7615 0.0000 173.9685 11 K 3.7847 8.1092 119.3905 57.6305 32.3420 175.2330 12 T 5.0314 8.4443 120.3732 61.9102 70.5327 173.8902 13 I 4.5626 9.1329 127.1286 59.9529 39.8580 174.5913 14 T 5.0590 8.5572 122.4718 61.8627 70.5075 173.7269 15 L 4.8103 8.7156 125.7247 52.7942 45.7125 174.9071 16 E 4.8649 8.6543 123.0551 54.9783 30.8843 175.1817 17 V 4.7001 8.9736 119.4367 60.1333 36.6393 174.0179 18 E 4.7316 9.0605 119.9853 53.9815 32.3786 176.2386 19 P 4.1937 0.0000 0.0000 65.5731 31.5679 178.3229 20 S 4.3902 7.8792 110.1104 58.9551 63.9011 174.2054 21 D 4.4059 7.9525 122.9451 54.8594 41.2943 176.3762 22 T 4.6970 8.1577 113.3539 61.0069 71.5726 176.0076 23 I 3.7717 8.5393 122.3417 64.3084 36.9294 178.4849 24 E 3.9413 8.4661 120.5803 59.2885 29.4959 178.4921 25 N 4.2985 8.1655 116.5474 56.3765 38.5149 177.5146 26 V 3.5561 7.6365 119.0008 65.9664 31.5809 178.1096 27 K 4.1856 8.4685 119.3578 58.9743 31.8061 179.1662 28 A 4.0117 8.1602 120.8980 54.7899 18.2264 179.9423 29 K 4.1029 7.9298 117.3300 59.6997 32.0904 179.5650 30 I 3.7188 8.0536 120.4499 64.2971 36.9833 178.2692 31 Q 4.1052 8.2130 121.8141 58.7965 28.7070 177.8000 32 D 4.3780 8.1363 118.9576 57.5030 40.9933 178.6904 33 K 4.2883 7.9485 116.7841 57.5431 32.3252 177.3997 34 E 4.4963 8.2653 116.3746 54.8108 31.4804 177.5708 35 G 3.9395 8.6963 106.5703 45.5200 0.0000 173.4499 36 I 4.1116 7.1063 121.7744 59.4098 37.6773 174.0247 37 P 4.4508 0.0000 0.0000 61.5429 32.2534 175.6706 38 P 4.2737 0.0000 0.0000 65.8360 31.3445 178.5203 39 D 4.5221 8.0811 115.5415 55.5958 39.4496 176.7486 40 Q 4.3309 8.1889 118.2296 56.1563 29.3549 174.5231 41 Q 4.8261 8.2878 119.3725 54.1273 31.0614 174.4623 42 R 4.6644 9.1636 124.6646 54.4809 32.9002 174.0527 43 L 5.2203 8.5048 125.7562 53.1868 44.5698 175.3338 44 I 5.0702 8.6215 123.2788 59.5963 41.0304 174.3494 45 F 5.0146 8.9244 127.2577 57.2907 43.3034 173.8967 46 A 3.4807 8.6721 126.3742 53.0728 15.9682 178.3251 47 G 3.8673 8.4409 108.2535 47.5839 0.0000 174.9618 48 K 4.5587 8.0160 122.2816 52.2124 33.7964 180.7415 49 Q 4.5289 8.5641 122.9286 55.3571 29.1086 176.0628 50 L 3.9476 8.6090 125.6744 54.3358 42.8061 176.4831 51 E 4.4597 9.4607 123.8502 55.3962 30.9009 176.9435 52 D 4.3824 9.2144 124.6014 57.6900 40.9666 178.9155 53 G 3.8425 7.9913 103.7819 46.2537 0.0000 173.7716 54 R 4.3043 7.8182 119.8182 55.4066 30.9558 176.0910 55 T 4.9300 8.1310 110.6588 60.1399 70.8907 176.1018 56 L 4.0507 8.5940 122.4822 58.0220 41.9681 180.2282 57 S 4.1097 8.3921 113.3948 61.3909 63.0766 175.9199 58 D 4.0522 7.7993 120.1615 57.1873 40.5500 177.2601 59 Y 4.6350 7.4545 112.5948 57.0194 37.9555 175.0405 60 N 4.2359 8.7374 117.1110 54.1956 36.8348 174.5646 61 I 3.7485 7.7893 118.5590 60.7158 37.8020 175.8662 62 Q 4.6395 8.4835 124.5624 52.9499 31.6924 174.3872 63 K 3.6848 8.4811 118.6868 58.7212 32.0322 175.7059 64 E 3.6442 9.4327 125.7038 56.8970 28.8114 174.1673 65 S 4.6515 8.0727 113.5031 58.6780 64.3945 173.1039 66 T 5.2181 8.6334 117.6606 62.0708 70.9070 173.8003 67 L 4.9370 9.2152 126.5088 53.8636 44.4195 175.4135 68 H 5.3759 8.8414 118.4733 54.6154 30.9463 173.8623 69 L 5.1471 9.0071 123.7680 53.3417 44.6200 175.2706 70 V 4.5432 9.1530 126.1952 60.7338 34.9132 174.5317 71 L 4.5944 8.6004 127.0005 54.8239 42.4002 176.1456 72 R 4.5154 8.7346 124.6561 54.7479 31.2284 175.8932 73 L 4.5503 8.3932 126.2348 53.1198 43.5061 176.5322 74 R 4.2879 8.3248 119.0314 56.3494 32.1776 176.9460 75 G 3.8998 8.7461 108.0986 45.6388 0.0000 173.5901 76 G 3.7150 9.1945 112.9903 45.4078 0.0000 172.7754 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 8.16 4.47 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 2 Q 8.23 4.88 0.00 2.08 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.71 0.00 0.00 0.00 0.00 0.00 1.72 2.31 0.00 3 I 9.20 4.61 1.81 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 1.08 0.41 0.75 0.00 0.00 4 F 8.86 5.43 0.00 3.06 2.92 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 5 V 9.02 4.92 2.12 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.44 5.53 0.00 1.74 1.71 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.23 7.81 7 T 8.34 4.74 4.25 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 1.23 0.00 0.00 8 L 8.26 4.10 0.00 1.65 1.75 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.60 3.91 4.25 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 1.21 0.00 0.00 10 G 8.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.78 0.00 1.84 1.81 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.49 7.81 12 T 8.44 5.03 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 1.28 0.00 0.00 13 I 9.13 4.56 1.91 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 1.25 0.93 0.93 0.00 0.00 14 T 8.56 5.06 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 15 L 8.72 4.81 0.00 1.50 1.44 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.65 4.86 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 17 V 8.97 4.70 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 0.68 0.00 0.00 0.89 0.00 0.00 18 E 9.06 4.73 0.00 1.86 1.78 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 2.18 2.22 0.00 19 P 0.00 4.19 0.00 2.15 2.08 0.00 3.56 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 2.09 2.05 0.00 20 S 7.88 4.39 0.00 3.96 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 21 D 7.95 4.41 0.00 2.87 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 22 T 8.16 4.70 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.54 3.77 2.14 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 1.82 1.14 0.92 0.00 0.00 24 E 8.47 3.94 0.00 2.18 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 2.31 2.40 0.00 25 N 8.17 4.30 0.00 2.96 2.85 0.00 0.00 6.67 6.96 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 26 V 7.64 3.56 2.22 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 1.09 0.00 0.00 0.93 0.00 0.00 27 K 8.47 4.19 0.00 2.03 1.85 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.50 7.81 28 A 8.16 4.01 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 29 K 7.93 4.10 0.00 2.04 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 8.05 3.72 2.14 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.95 0.00 0.00 31 Q 8.21 4.11 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 32 D 8.14 4.38 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.29 0.00 1.74 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.64 7.81 34 E 8.27 4.50 0.00 2.09 1.92 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 2.21 2.36 0.00 35 G 8.70 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 36 I 7.11 4.11 1.88 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 1.30 1.28 0.92 0.00 0.00 37 P 0.00 4.45 0.00 2.34 1.96 0.00 3.62 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.27 0.00 2.17 2.21 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.08 4.52 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.19 4.33 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 8.29 4.83 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 9.16 4.66 0.00 1.81 1.88 0.00 3.06 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 43 L 8.50 5.22 0.00 1.59 1.51 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.62 5.07 1.93 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 1.11 0.94 0.97 0.00 0.00 45 F 8.92 5.01 0.00 2.98 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.67 3.48 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.87 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 0.00 0.00 0.00 48 K 8.02 4.56 0.00 1.62 1.67 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.28 1.25 7.81 49 Q 8.56 4.53 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 50 L 8.61 3.95 0.00 1.39 1.35 0.76 0.01 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 51 E 9.46 4.46 0.00 2.06 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 2.35 2.41 0.00 52 D 9.21 4.38 0.00 2.76 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 53 G 7.99 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 54 R 7.82 4.30 0.00 2.15 1.60 0.00 3.11 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 55 T 8.13 4.93 4.44 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 1.23 0.00 0.00 56 L 8.59 4.05 0.00 1.88 1.69 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.39 4.11 0.00 3.98 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 58 D 7.80 4.05 0.00 2.75 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 0.00 0.00 0.00 0.00 59 Y 7.45 4.63 0.00 3.09 3.04 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 0.00 0.00 0.00 60 N 8.74 4.24 0.00 2.92 2.97 0.00 0.00 6.91 7.33 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 61 I 7.79 3.75 1.76 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.56 0.00 0.00 62 Q 8.48 4.64 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 63 K 8.48 3.68 0.00 1.67 1.77 0.00 1.89 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 E 9.43 3.64 0.00 2.14 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 0.00 2.41 2.90 0.00 65 S 8.07 4.65 0.00 3.76 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 66 T 8.63 5.22 4.34 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 1.25 0.00 0.00 67 L 9.22 4.94 0.00 1.56 1.60 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.84 5.38 0.00 3.19 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.01 5.15 0.00 1.72 1.52 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.15 4.54 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 0.91 0.00 0.00 0.93 0.00 0.00 71 L 8.60 4.59 0.00 1.57 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.73 4.52 0.00 1.85 1.98 0.00 3.25 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 L 8.39 4.55 0.00 1.67 1.58 0.92 0.99 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 74 R 8.32 4.29 0.00 1.80 1.86 0.00 3.32 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 75 G 8.75 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 76 G 9.19 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00