NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2504 8.1701 117.3740 63.1507 69.9016 173.5093 3 A 4.0548 8.3406 127.3845 51.6142 19.1628 175.5072 4 L 4.5098 8.4599 121.4409 53.2494 44.2328 175.2975 5 A 4.2380 8.1647 124.5941 51.1573 19.4528 177.3727 6 K 4.0474 8.3869 122.0274 55.3781 32.1076 175.4005 7 P 4.5343 0.0000 0.0000 61.5104 32.6280 175.2522 8 Q 4.1195 8.4141 119.7996 56.3104 28.8996 175.0605 9 M 4.5508 8.6403 123.8867 55.0482 33.9623 175.9508 10 R 4.5059 7.8761 117.2111 55.2226 33.0140 175.9848 11 G 4.0289 8.4093 107.7876 46.5693 0.0000 174.0344 12 L 4.1388 7.3663 118.3139 56.7266 42.5702 179.0546 13 L 3.9046 7.8051 119.9204 58.1756 42.1774 178.6284 14 A 4.0491 7.9549 120.2668 55.2110 18.2193 179.3769 15 R 3.8831 7.7939 117.1011 59.3559 30.0911 178.7842 16 R 4.0310 7.8612 118.3485 59.0552 30.1722 177.7503 17 L 3.9361 8.4929 120.4709 58.4371 42.2102 178.6994 18 R 3.8919 8.4616 118.7080 59.5977 29.9665 178.3369 19 F 4.1165 8.0709 120.1673 61.7751 39.5460 176.9010 20 H 4.2479 8.5991 115.1226 58.0940 27.9842 177.8678 21 I 3.8058 7.9136 122.4611 64.0965 37.0211 178.3665 22 V 3.6104 7.6698 118.9416 65.7262 31.3314 178.1509 23 G 3.4936 7.7076 105.2020 47.9059 0.0000 175.4740 24 A 4.1282 7.7343 121.5553 53.8347 18.5493 179.2422 25 F 4.3307 7.7914 119.0550 61.6615 39.8470 177.4957 26 M 3.9911 8.2865 118.2344 58.4326 31.5731 178.9394 27 V 3.7049 7.9135 118.3423 65.7509 31.8141 178.3016 28 S 4.2090 8.1072 115.0855 60.9898 62.4948 176.6626 29 L 4.0043 7.6590 121.6256 57.7484 41.8022 179.2335 30 G 3.8806 7.8870 105.0924 47.6847 0.0000 175.2239 31 F 4.4437 8.1786 122.1471 60.8257 39.6812 177.2666 32 A 3.8844 7.9359 120.0783 55.5623 17.9278 179.8620 33 T 3.8051 8.0869 113.1965 66.8263 68.9346 176.4437 34 F 4.2903 8.1369 122.4031 61.5985 39.3317 176.5201 35 Y 3.5702 8.3212 119.5122 59.7627 38.6405 176.3351 36 K 4.3499 7.7109 118.3419 56.1737 33.2118 176.9193 37 F 4.7871 7.4250 120.8639 59.6511 46.4423 174.7408 38 A 3.3487 7.7106 122.2454 52.6022 18.1098 177.5439 39 V 3.8659 6.4389 114.5110 63.0808 34.8962 176.9336 40 A 3.8459 8.0266 120.7855 55.1610 18.4000 179.6264 41 E 3.7849 7.8392 116.4027 59.3944 29.7793 178.7439 42 K 3.5921 7.4808 119.5662 59.7765 32.0780 178.1920 43 R 3.8430 7.7383 118.3008 59.4222 29.9281 178.3515 44 K 3.8830 7.7964 118.8817 59.4538 32.1091 178.6604 45 K 3.9355 8.7121 120.0158 59.1916 31.9991 178.4821 46 A 4.1908 8.4988 121.5374 55.6757 18.3605 179.3271 47 Y 3.7299 8.3075 114.8789 60.8604 37.7719 178.5673 48 A 4.1395 8.4946 122.0351 55.5070 18.3655 179.4639 49 D 4.3455 8.7969 117.1519 57.3130 40.9019 178.6989 50 F 4.1141 8.2995 120.6557 61.5563 39.6291 176.5446 51 Y 4.5097 7.9798 113.3200 59.1091 37.7804 177.4873 52 R 4.1598 7.6554 120.6006 58.7156 31.0917 177.1355 53 N 5.0833 7.9039 112.5031 52.4495 39.3818 173.8614 54 Y 4.3320 7.8389 118.3556 56.5965 40.4378 174.5118 55 D 4.5011 7.7005 125.8821 52.0016 42.6829 176.3270 56 S 3.6929 7.9507 123.3949 61.5914 62.8272 176.3649 57 M 4.1224 7.9053 121.6028 57.9552 31.8005 178.2888 58 K 3.8755 8.0562 119.5739 59.4966 32.3902 178.1056 59 D 4.3434 8.1475 118.3612 57.4523 41.1286 177.9766 60 F 4.2462 8.3367 120.9710 61.2692 39.3214 176.4380 61 E 3.6567 8.6757 119.1702 59.5491 29.6435 178.4703 62 E 3.9391 8.3693 118.6252 59.9947 29.1544 179.5198 63 M 4.0619 7.8532 118.3856 57.9804 32.0217 178.7915 64 R 4.0522 7.7765 119.0888 59.3755 30.0543 178.7364 65 K 3.9487 8.2421 116.9846 58.6394 32.1794 177.7549 66 A 4.1641 7.3292 119.3713 51.9266 19.0999 177.0407 67 G 3.8283 7.8019 103.9201 46.6265 0.0000 175.1228 68 I 3.8947 7.0966 113.8817 62.0938 38.5317 176.5681 69 F 4.7657 7.6735 118.8726 57.4277 39.5763 175.1369 70 Q 4.3754 8.9018 122.5964 57.7082 29.3707 177.2578 71 S 4.3653 8.1511 110.2283 58.7727 63.9156 173.6286 72 A 4.6081 7.9561 122.9607 50.3602 20.6012 175.7679 73 K 4.2539 8.7489 120.9846 57.1055 32.3557 176.8956 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 2 T 8.17 4.25 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 3 A 8.34 4.05 1.26 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 0.00 0.00 0.00 4 L 8.46 4.51 0.00 1.64 1.59 0.92 0.79 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 5 A 8.16 4.24 1.23 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 0.00 0.00 0.00 6 K 8.39 4.05 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.53 0.00 2.21 2.05 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 Q 8.41 4.12 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 9 M 8.64 4.55 0.00 2.01 2.06 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 2.70 2.51 0.00 10 R 7.88 4.51 0.00 1.77 1.82 0.00 3.35 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 1.53 1.59 0.00 11 G 8.41 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.37 4.14 0.00 1.69 1.71 0.97 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.81 3.90 0.00 1.75 1.66 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.95 4.05 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.79 3.88 0.00 2.02 2.15 0.00 3.23 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 16 R 7.86 4.03 0.00 2.09 2.12 0.00 3.16 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 17 L 8.49 3.94 0.00 1.76 1.87 0.93 0.83 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 18 R 8.46 3.89 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 19 F 8.07 4.12 0.00 3.07 3.18 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 0.00 20 H 8.60 4.25 0.00 3.36 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 7.91 3.81 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 1.58 1.28 0.88 0.00 0.00 22 V 7.67 3.61 2.14 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 0.89 0.00 0.00 0.80 0.00 0.00 23 G 7.71 3.49 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 0.00 0.00 0.00 24 A 7.73 4.13 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 25 F 7.79 4.33 0.00 3.12 3.20 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 0.00 0.00 0.00 0.00 26 M 8.29 3.99 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.00 0.00 27 V 7.91 3.70 2.06 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 1.01 0.00 0.00 1.01 0.00 0.00 28 S 8.11 4.21 0.00 3.98 3.82 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 0.00 0.00 0.00 29 L 7.66 4.00 0.00 1.75 1.61 0.41 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.89 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 0.00 0.00 0.00 31 F 8.18 4.44 0.00 3.06 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.88 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 33 T 8.09 3.81 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 1.20 0.00 0.00 34 F 8.14 4.29 0.00 3.24 3.18 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 0.00 35 Y 8.32 3.57 0.00 2.50 2.77 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 0.00 0.00 0.00 36 K 7.71 4.35 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.60 7.81 37 F 7.42 4.79 0.00 2.85 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 38 A 7.71 3.35 0.62 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 0.00 0.00 39 V 6.44 3.87 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 0.00 0.00 0.56 0.00 0.00 0.36 0.00 0.00 40 A 8.03 3.85 1.26 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 0.00 0.00 0.00 41 E 7.84 3.78 0.00 2.04 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 2.56 2.30 0.00 42 K 7.48 3.59 0.00 1.68 1.60 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.25 7.81 43 R 7.74 3.84 0.00 1.99 1.97 0.00 3.16 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 44 K 7.80 3.88 0.00 2.05 1.77 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 45 K 8.71 3.94 0.00 1.80 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.59 7.81 46 A 8.50 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.31 3.73 0.00 3.06 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 48 A 8.49 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.80 4.35 0.00 2.80 2.77 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 0.00 0.00 0.00 50 F 8.30 4.11 0.00 2.77 2.78 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 0.00 0.00 0.00 51 Y 7.98 4.51 0.00 3.24 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 52 R 7.66 4.16 0.00 1.98 2.14 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 53 N 7.90 5.08 0.00 2.68 2.72 0.00 0.00 6.79 7.46 0.00 0.00 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 Y 7.84 4.33 0.00 2.84 3.07 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 0.00 0.00 0.00 0.00 55 D 7.70 4.50 0.00 2.56 2.33 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 0.00 0.00 0.00 0.00 56 S 7.95 3.69 0.00 4.13 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 57 M 7.91 4.12 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 58 K 8.06 3.88 0.00 1.94 1.86 0.00 1.60 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.43 7.81 59 D 8.15 4.34 0.00 2.87 2.91 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 60 F 8.34 4.25 0.00 3.23 3.30 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 61 E 8.68 3.66 0.00 2.36 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 0.00 2.34 2.40 0.00 62 E 8.37 3.94 0.00 2.17 1.98 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 2.32 2.66 0.00 63 M 7.85 4.06 0.00 1.75 2.31 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.47 0.00 64 R 7.78 4.05 0.00 1.22 1.78 0.00 3.19 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 65 K 8.24 3.95 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.34 7.81 66 A 7.33 4.16 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.80 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 68 I 7.10 3.89 1.57 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 0.71 0.00 0.00 69 F 7.67 4.77 0.00 3.37 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 70 Q 8.90 4.38 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 71 S 8.15 4.37 0.00 3.97 4.01 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 72 A 7.96 4.61 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.75 4.25 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81