NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4425 8.1627 118.3255 55.3024 33.5749 173.2826 2 Q 4.7920 8.2503 120.8290 52.7094 31.3246 172.7335 3 I 4.5863 8.9815 119.7890 58.9641 42.2703 173.3618 4 F 5.3415 8.7820 121.0800 55.6378 42.2187 174.8095 5 V 4.7582 9.2193 122.8660 61.1453 34.1638 174.1732 6 K 5.0488 9.0933 128.6133 55.1400 33.9090 177.1954 7 T 4.5797 8.8595 115.8435 60.5357 69.8983 175.1884 8 L 3.9156 8.5534 123.6630 58.2973 41.9071 177.5920 9 T 4.2581 7.9258 105.6908 61.3910 68.9425 175.2021 10 G 3.8914 8.4219 110.1027 45.5012 0.0000 173.7646 11 K 4.1543 7.7638 121.8139 56.5385 33.4043 175.7473 12 T 4.9378 8.4637 123.5927 62.3400 70.1608 173.8896 13 I 4.4810 9.1191 127.8819 59.9485 39.5028 174.6334 14 T 4.9919 8.5936 123.8293 62.0332 70.1390 174.1135 15 L 4.8069 8.6340 125.5567 52.7901 45.9708 175.0662 16 E 4.9029 8.6724 122.9367 55.0257 30.5643 175.2030 17 V 4.7461 9.1168 119.8168 59.8580 36.3610 174.4885 18 E 4.7365 9.2719 120.6986 53.9136 32.3934 176.0788 19 P 4.1601 0.0000 0.0000 65.3232 31.5482 178.0388 20 S 4.5712 7.7978 109.7623 57.8517 63.7831 173.9640 21 D 4.4399 7.9667 123.0670 54.7056 41.4225 176.3277 22 T 4.6494 8.2197 113.6143 61.3479 71.1661 175.9323 23 I 3.7195 8.4674 123.3548 64.5199 37.0055 178.4691 24 E 3.9001 8.3740 120.2648 59.2141 29.4170 178.2434 25 N 4.2363 8.1450 117.1462 56.8016 38.8803 177.0458 26 V 3.5734 7.6397 119.1456 65.8813 31.5719 178.1184 27 K 4.1421 8.5713 119.5764 58.8166 31.7784 179.1405 28 A 3.9737 8.2330 121.2985 55.1314 18.3130 179.7671 29 K 4.1420 8.1214 118.3542 59.1210 32.0334 179.6652 30 I 3.7096 7.9414 120.2816 64.2446 37.0068 178.0596 31 Q 4.1192 8.1820 121.9295 58.7464 28.4295 178.2125 32 D 4.3689 8.2897 119.8427 57.4194 40.6410 179.0791 33 K 4.0988 7.8909 117.6041 58.5965 32.3863 178.3528 34 E 4.6396 8.6977 115.4915 54.9319 30.8317 176.9645 35 G 3.8592 8.0213 106.7232 45.9555 0.0000 173.2828 36 I 4.2047 7.4044 121.3779 58.6458 38.0644 173.6606 37 P 4.4277 0.0000 0.0000 62.1050 31.9281 175.4034 38 P 4.2048 0.0000 0.0000 65.8501 31.3620 177.9830 39 D 4.4684 8.0814 115.4514 55.3633 39.5493 176.4440 40 Q 4.5035 8.2992 118.7620 55.9461 29.8363 174.7115 41 Q 4.8235 8.1717 120.1465 54.3390 31.1404 174.6746 42 R 4.8453 8.8657 123.1231 54.4904 32.5943 174.9634 43 L 5.0532 8.4397 124.0000 53.3937 44.1788 175.5886 44 I 5.0291 8.8935 123.6194 59.4614 41.2540 174.2236 45 F 5.0707 8.9997 127.8094 56.9594 42.5843 174.6538 46 A 3.6330 9.1900 128.7496 52.9366 15.9760 177.4782 47 G 3.9318 8.4713 108.0631 46.0967 0.0000 174.0975 48 K 4.5832 7.7297 119.8950 54.2023 34.1207 175.6637 49 Q 4.5166 8.5788 122.8224 56.0760 29.5176 175.4887 50 L 4.0606 8.3992 123.6009 53.3462 43.2571 176.1342 51 E 4.3655 9.3687 124.1375 55.5974 30.7671 177.2209 52 D 4.3689 9.1954 124.3706 57.6613 41.0274 179.0979 53 G 3.7189 7.9954 104.8427 46.9908 0.0000 173.7896 54 R 4.3235 7.8883 120.0106 55.5949 30.0064 175.2614 55 T 5.0897 8.5703 109.4480 59.5928 71.4235 175.6430 56 L 4.3087 8.4815 121.8898 57.9235 41.9386 180.3484 57 S 4.1863 8.1674 113.3016 60.9191 63.3304 175.8630 58 D 4.3758 7.6219 120.2422 57.0203 40.5701 177.0899 59 Y 4.5489 7.3032 113.8562 56.9514 38.0100 174.8247 60 N 4.1442 8.3333 116.8106 54.4526 38.0023 174.0710 61 I 3.5540 7.4437 117.4127 60.0664 37.7121 175.3427 62 Q 4.7906 8.2018 124.9294 53.6622 31.2952 174.5384 63 K 4.1133 8.4243 116.6220 58.6828 32.8756 176.5554 64 E 3.7945 9.3193 120.3131 56.9210 27.8812 174.8933 65 S 4.5609 7.8445 115.7336 59.2757 64.2812 173.2166 66 T 5.2297 8.7504 118.3773 62.0812 70.5646 173.8958 67 L 5.0752 9.3552 126.1358 53.4834 45.3442 174.8697 68 H 5.3589 9.3062 117.4359 54.0236 31.9819 172.8022 69 L 5.0626 8.9607 125.4045 53.3904 43.6344 175.6005 70 V 4.4796 8.6261 126.1130 60.7901 34.5375 174.4621 71 L 4.5879 8.6012 128.1329 54.5300 42.0446 177.3301 72 R 4.1477 8.7800 123.4551 55.8555 31.1675 176.7201 73 L 4.0067 8.3458 121.1792 54.5946 41.7378 177.4588 74 R 3.9552 8.6401 125.1381 56.3277 30.7510 176.2305 75 G 4.0458 8.4008 114.6143 44.7232 0.0000 173.7094 76 G 4.1282 8.6400 108.0237 46.0401 0.0000 173.5953 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 4.44 0.00 2.07 2.21 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 2.47 2.64 0.00 2 Q 8.25 4.79 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 3 I 8.98 4.59 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.76 0.00 0.00 4 F 8.78 5.34 0.00 3.08 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 5 V 9.22 4.76 2.10 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.09 5.05 0.00 1.62 1.74 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.52 7.81 7 T 8.86 4.58 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 1.27 0.00 0.00 8 L 8.55 3.92 0.00 1.63 1.77 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.93 4.26 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 10 G 8.42 3.89 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 0.00 0.00 0.00 11 K 7.76 4.15 0.00 1.81 1.70 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.46 4.94 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 13 I 9.12 4.48 1.98 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 1.43 0.81 0.92 0.00 0.00 14 T 8.59 4.99 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 8.63 4.81 0.00 1.47 1.45 0.89 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.67 4.90 0.00 1.91 1.82 0.00 0.00 0.00 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 2.34 0.00 17 V 9.12 4.75 2.02 0.00 0.00 0.00 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 0.90 0.00 0.00 18 E 9.27 4.74 0.00 1.80 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 2.19 2.37 0.00 19 P 0.00 4.16 0.00 2.15 2.08 0.00 3.55 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 7.80 4.57 0.00 3.95 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 21 D 7.97 4.44 0.00 2.87 2.61 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 0.00 0.00 0.00 0.00 22 T 8.22 4.65 4.43 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 1.21 0.00 0.00 23 I 8.47 3.72 2.15 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 1.76 0.95 0.89 0.00 0.00 24 E 8.37 3.90 0.00 2.09 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 2.36 0.00 25 N 8.14 4.24 0.00 2.81 3.02 0.00 0.00 6.85 7.75 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 26 V 7.64 3.57 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 1.02 0.00 0.00 0.95 0.00 0.00 27 K 8.57 4.14 0.00 2.03 1.84 0.00 1.86 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.51 7.81 28 A 8.23 3.97 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 29 K 8.12 4.14 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.31 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 I 7.94 3.71 2.15 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 0.90 0.94 0.00 0.00 31 Q 8.18 4.12 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 D 8.29 4.37 0.00 2.90 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 33 K 7.89 4.10 0.00 1.75 1.86 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 E 8.70 4.64 0.00 1.95 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 2.24 2.43 0.00 35 G 8.02 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 36 I 7.40 4.20 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 1.47 1.34 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.43 2.18 0.00 3.72 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 2.07 1.99 0.00 38 P 0.00 4.20 0.00 2.19 2.16 0.00 3.60 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 2.12 2.09 0.00 39 D 8.08 4.47 0.00 2.76 2.80 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 40 Q 8.30 4.50 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 41 Q 8.17 4.82 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 42 R 8.87 4.85 0.00 1.86 1.82 0.00 3.11 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 L 8.44 5.05 0.00 1.55 1.54 0.90 0.74 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 44 I 8.89 5.03 1.91 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 0.54 0.94 0.00 0.00 45 F 9.00 5.07 0.00 3.00 2.79 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 46 A 9.19 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.47 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 0.00 0.00 0.00 48 K 7.73 4.58 0.00 2.03 1.76 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 49 Q 8.58 4.52 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 50 L 8.40 4.06 0.00 1.34 1.27 0.73 0.11 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 51 E 9.37 4.37 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 2.36 2.40 0.00 52 D 9.20 4.37 0.00 2.75 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 53 G 8.00 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 54 R 7.89 4.32 0.00 2.23 2.00 0.00 3.14 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 T 8.57 5.09 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 56 L 8.48 4.31 0.00 1.89 1.68 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.17 4.19 0.00 4.00 4.21 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 0.00 0.00 0.00 0.00 58 D 7.62 4.38 0.00 2.64 2.35 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 59 Y 7.30 4.55 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 60 N 8.33 4.14 0.00 2.83 2.99 0.00 0.00 7.10 7.93 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 61 I 7.44 3.55 1.77 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 0.04 0.60 0.00 0.00 62 Q 8.20 4.79 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 63 K 8.42 4.11 0.00 1.85 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 64 E 9.32 3.79 0.00 2.23 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 2.28 2.51 0.00 65 S 7.84 4.56 0.00 3.77 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 66 T 8.75 5.23 4.35 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 1.20 0.00 0.00 67 L 9.36 5.08 0.00 1.60 1.60 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.31 5.36 0.00 3.01 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.96 5.06 0.00 1.58 1.57 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.63 4.48 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.60 4.59 0.00 1.56 1.60 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.78 4.15 0.00 1.82 1.87 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 73 L 8.35 4.01 0.00 1.63 1.64 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.64 3.96 0.00 1.75 1.84 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 75 G 8.40 4.05 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 0.00 0.00 0.00 76 G 8.64 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