NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8974 8.3501 109.7360 45.0345 0.0000 176.3052 2 A 4.5619 8.7806 120.9092 49.2532 22.5054 174.4700 3 M 4.6430 8.3058 115.1866 54.3586 34.6454 172.6616 4 V 4.2073 8.0283 119.8418 61.0196 32.8855 176.2458 5 L 4.1567 8.7796 128.1873 53.9122 43.2191 176.1566 6 P 4.2295 0.0000 0.0000 66.1325 31.4133 178.7552 7 N 4.3196 8.1542 114.4236 56.3765 38.5398 177.3793 8 Q 3.9827 7.8746 119.0449 58.9985 28.6758 178.1812 9 M 3.9949 7.8942 118.1849 58.7304 32.6479 178.0722 10 V 3.7169 8.0721 118.7280 65.9488 31.6657 177.8977 11 K 4.0234 8.2097 119.6267 59.2921 31.8158 178.7258 12 S 4.2916 7.7418 112.9746 60.7205 63.2750 175.3890 13 M 4.2601 7.9074 121.6342 54.9523 32.1014 176.2026 14 V 3.9571 7.0021 120.3483 64.2866 32.0745 176.2985 15 G 3.9446 9.6098 115.9510 44.9722 0.0000 172.7388 16 K 4.6933 7.7178 118.2932 54.2009 36.3734 175.1317 17 I 4.6202 8.1060 122.2353 61.0805 38.5196 175.4444 18 I 5.1208 8.7767 119.4810 59.0799 41.6869 173.8877 19 R 5.0640 9.0741 123.3367 54.5484 32.7583 174.4839 20 V 4.8622 9.1519 125.7903 61.0535 35.0991 173.4092 21 E 4.8294 9.1161 128.8119 54.9033 31.3977 174.3613 22 M 4.9456 8.4143 126.0364 53.5377 34.4288 176.8848 23 K 3.8558 9.3555 124.6216 58.7265 33.0144 178.2025 24 G 4.1904 7.8657 106.9155 45.1032 0.0000 173.1088 25 E 4.6961 7.7484 118.6805 54.4550 33.6132 175.7825 26 E 4.2206 8.8773 121.0240 57.7021 30.5892 176.0528 27 N 5.0679 7.2269 115.1281 51.4723 41.1141 174.9926 28 Q 4.5266 8.7869 120.4069 55.6338 30.9912 174.6905 29 L 5.1292 8.7144 121.1235 53.1054 44.4729 175.8360 30 V 4.7704 8.4403 123.2760 61.3267 34.7679 174.7599 31 G 4.1550 8.2673 113.1240 45.7351 0.0000 171.5278 32 K 4.6547 8.2073 121.7498 55.5034 33.5398 175.7739 33 L 4.3753 8.8381 130.5025 55.1428 41.9945 176.5890 34 E 4.0726 8.8572 127.3490 57.5938 30.5957 176.8871 35 G 4.3890 7.8373 103.9499 45.7212 0.0000 172.7994 36 V 5.5530 8.5658 119.8984 60.8718 34.5726 172.5376 37 D 5.0933 8.4453 120.4266 51.3055 42.4360 176.0719 38 D 4.2456 8.7030 117.7319 57.1318 41.0215 177.0685 39 Y 4.3213 8.2884 115.5332 57.5074 38.1667 175.6285 40 M 3.2579 8.3935 119.1234 56.3430 30.3709 176.2994 41 N 4.8658 8.7446 116.2156 53.4646 40.0789 174.2776 42 L 5.2137 9.0756 121.6233 53.1078 46.0278 174.9609 43 Y 5.2205 9.1791 124.3631 56.1888 41.0461 174.1676 44 L 5.2278 8.9250 127.3021 53.1274 44.9570 175.8765 45 T 4.7037 8.1691 111.3553 59.9144 72.5282 173.1809 46 N 4.2651 8.7693 116.2490 54.2615 36.4579 174.6331 47 A 4.7497 7.9652 119.0674 52.2484 20.0992 177.3309 48 M 5.1162 9.0144 116.0201 53.8642 35.4739 173.2959 49 E 4.8707 9.3702 121.9174 55.4481 31.4468 174.7467 50 C 5.3086 9.5472 123.5115 58.1217 33.2293 173.1967 51 K 4.7465 9.0425 119.9580 53.1702 32.1660 177.5320 52 G 4.1336 9.4026 117.5281 46.4105 0.0000 172.3285 53 E 4.2959 8.8277 124.3193 56.1311 29.7555 175.3339 54 E 4.4281 7.7848 120.9927 54.5052 30.3496 175.2546 55 K 4.6170 8.5452 125.8596 56.1640 32.9963 176.4068 56 V 4.4560 8.6085 118.7340 61.9743 34.4814 176.3313 57 R 4.7002 7.6776 117.5831 54.9352 34.6511 174.3124 58 S 4.7745 8.6643 119.2082 57.9030 63.5639 173.8051 59 L 4.5030 8.9003 123.5672 52.9915 44.4326 178.4639 60 G 3.9879 8.3252 106.5017 46.1979 0.0000 175.0308 61 E 4.9927 8.8716 124.9501 55.5198 30.0431 174.6614 62 I 4.7949 9.0085 117.0703 59.4090 41.7408 173.8490 63 V 4.9293 8.4442 123.1757 61.2929 33.6685 174.3815 64 L 4.7249 9.1699 128.5325 52.8599 44.1393 176.0137 65 R 4.3810 8.6107 124.3064 55.7590 30.9549 176.8512 66 G 4.2412 10.1125 115.4524 47.8861 0.0000 174.6947 67 N 4.5951 8.1873 114.4471 54.0156 37.7693 174.9454 68 N 4.8183 8.2266 116.3119 52.9569 39.3811 174.3430 69 V 4.0812 7.5218 119.5527 62.7113 32.3710 175.0805 70 V 4.2141 8.8566 127.3003 64.1481 32.5956 175.5524 71 L 4.8482 7.6536 120.9656 53.3786 45.8154 174.2011 72 I 4.9875 8.3940 125.1003 59.5541 40.4459 174.6447 73 Q 4.5099 9.0872 127.3090 53.4922 32.2141 172.5283 74 P 4.5712 0.0000 0.0000 62.9599 32.3286 176.0929 75 Q 4.2323 8.9043 123.9839 56.2738 28.5994 175.1931 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 3.90 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 2 A 8.78 4.56 1.22 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 3 M 8.31 4.64 0.00 2.09 1.99 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 2.47 2.51 0.00 4 V 8.03 4.21 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 0.84 0.00 0.00 0.93 0.00 0.00 5 L 8.78 4.16 0.00 1.82 1.56 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.23 0.00 2.14 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 7 N 8.15 4.32 0.00 2.74 2.85 0.00 0.00 7.09 7.57 0.00 0.00 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 Q 7.87 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 9 M 7.89 3.99 0.00 2.11 2.09 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 2.61 2.59 0.00 10 V 8.07 3.72 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 0.95 0.00 0.00 0.98 0.00 0.00 11 K 8.21 4.02 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 S 7.74 4.29 0.00 4.10 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 13 M 7.91 4.26 0.00 2.09 2.30 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.53 0.00 14 V 7.00 3.96 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 0.78 0.00 0.00 1.00 0.00 0.00 15 G 9.61 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 16 K 7.72 4.69 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81 17 I 8.11 4.62 1.86 0.00 0.00 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 1.38 0.79 0.90 0.00 0.00 18 I 8.78 5.12 1.87 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 1.22 0.73 0.90 0.00 0.00 19 R 9.07 5.06 0.00 1.83 1.78 0.00 3.21 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 20 V 9.15 4.86 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 1.02 0.00 0.00 0.94 0.00 0.00 21 E 9.12 4.83 0.00 2.07 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 2.22 2.26 0.00 22 M 8.41 4.95 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 23 K 9.36 3.86 0.00 1.72 1.84 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81 24 G 7.87 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.75 4.70 0.00 1.89 1.96 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 2.24 2.39 0.00 26 E 8.88 4.22 0.00 2.07 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 0.00 2.25 2.32 0.00 27 N 7.23 5.07 0.00 2.72 2.95 0.00 0.00 7.02 7.57 0.00 0.00 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 Q 8.79 4.53 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 29 L 8.71 5.13 0.00 1.54 1.55 0.93 1.22 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 30 V 8.44 4.77 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 1.08 0.00 0.00 0.93 0.00 0.00 31 G 8.27 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 32 K 8.21 4.65 0.00 1.81 1.71 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.33 7.81 33 L 8.84 4.38 0.00 1.78 1.68 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.86 4.07 0.00 1.26 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 2.04 2.02 0.00 35 G 7.84 4.39 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 0.00 36 V 8.57 5.55 2.11 0.00 0.00 0.00 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 0.98 0.00 0.00 37 D 8.45 5.09 0.00 3.00 2.88 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 38 D 8.70 4.25 0.00 2.43 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 39 Y 8.29 4.32 0.00 3.19 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 40 M 8.39 3.26 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 41 N 8.74 4.87 0.00 2.99 2.77 0.00 0.00 6.81 7.03 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 42 L 9.08 5.21 0.00 1.58 1.54 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 9.18 5.22 0.00 2.94 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 44 L 8.93 5.23 0.00 1.60 1.46 0.92 0.30 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 45 T 8.17 4.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 46 N 8.77 4.27 0.00 2.83 2.90 0.00 0.00 6.93 7.35 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 47 A 7.97 4.75 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 48 M 9.01 5.12 0.00 2.02 2.18 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 2.47 2.63 0.00 49 E 9.37 4.87 0.00 2.03 1.85 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 2.25 2.28 0.00 50 C 9.55 5.31 0.00 2.81 2.95 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 0.00 0.00 0.00 51 K 9.04 4.75 0.00 1.61 1.68 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.42 7.81 52 G 9.40 4.13 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 0.00 53 E 8.83 4.30 0.00 1.97 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 2.28 2.26 0.00 54 E 7.78 4.43 0.00 2.10 1.87 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 2.26 2.37 0.00 55 K 8.55 4.62 0.00 1.69 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.52 7.81 56 V 8.61 4.46 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 0.75 0.00 0.00 0.96 0.00 0.00 57 R 7.68 4.70 0.00 1.72 1.76 0.00 3.27 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 58 S 8.66 4.77 0.00 3.75 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 59 L 8.90 4.50 0.00 1.60 1.68 0.93 1.24 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 60 G 8.33 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 61 E 8.87 4.99 0.00 1.97 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 2.40 2.37 0.00 62 I 9.01 4.79 1.92 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 1.15 0.80 0.94 0.00 0.00 63 V 8.44 4.93 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 0.85 0.00 0.00 0.86 0.00 0.00 64 L 9.17 4.72 0.00 1.63 1.58 0.94 0.75 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 65 R 8.61 4.38 0.00 1.89 1.82 0.00 3.43 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 66 G 10.11 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 0.00 0.00 0.00 0.00 67 N 8.19 4.60 0.00 2.87 2.99 0.00 0.00 5.89 8.04 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 68 N 8.23 4.82 0.00 2.89 2.85 0.00 0.00 6.54 7.10 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 69 V 7.52 4.08 2.24 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 0.73 0.00 0.00 1.01 0.00 0.00 70 V 8.86 4.21 2.24 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 0.79 0.00 0.00 0.96 0.00 0.00 71 L 7.65 4.85 0.00 1.71 1.42 0.92 0.91 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 72 I 8.39 4.99 1.87 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 1.24 0.80 0.91 0.00 0.00 73 Q 9.09 4.51 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 74 P 0.00 4.57 0.00 1.97 1.97 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 75 Q 8.90 4.23 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00