NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3294 8.2649 123.5822 52.3795 19.8188 176.1591 2 V 4.2201 8.1820 110.6760 60.8937 33.5193 175.4464 3 C 5.1741 7.6497 116.1813 53.8351 38.7592 171.5461 4 P 4.5281 0.0000 0.0000 62.5092 31.6150 175.9350 5 T 4.4068 8.0403 109.8090 61.4970 69.7828 173.2740 6 G 3.8644 8.4530 106.0778 44.0772 0.0000 172.6159 7 L 3.9688 8.8342 118.9051 57.7864 42.7152 178.9265 8 F 4.7355 8.1471 117.7249 56.9543 38.1622 175.7966 9 S 5.1430 7.6962 112.3321 57.6535 64.7509 175.0752 10 N 4.8766 8.0479 120.0580 51.1011 39.7152 172.5992 11 P 4.9758 0.0000 0.0000 62.7703 32.0922 175.8090 12 L 5.0995 9.3951 123.0060 53.1918 46.6306 174.6465 13 C 5.2405 9.1780 119.2025 56.0118 39.3783 172.1991 14 C 5.5415 9.0789 121.6565 54.8281 42.6198 175.0509 15 A 3.9704 8.5983 125.6804 55.6373 18.7678 176.7332 16 T 4.6311 7.8409 107.8566 61.9078 71.1619 171.9418 17 N 5.4681 8.4206 117.3978 51.8336 40.7211 174.1542 18 V 4.1748 8.3331 119.2802 61.6310 34.6577 175.2721 19 L 3.5361 9.3529 126.3244 55.4306 39.1778 174.0157 20 D 4.4926 8.3609 114.2231 55.2531 38.5126 174.1028 21 L 4.8561 8.1409 120.7478 54.3888 45.0178 175.8311 22 I 4.9775 7.9156 119.2023 59.3314 40.6975 174.5523 23 G 4.4808 9.1801 114.0242 44.5133 0.0000 172.3842 24 V 4.7956 8.5731 123.8195 61.3345 34.4054 174.5175 25 D 4.8100 8.5300 125.9150 54.3199 39.8272 171.4036 26 C 5.4054 8.5202 118.4074 55.7184 43.2420 174.6278 27 K 5.2315 9.0359 121.5474 54.4682 36.3693 175.9965 28 T 4.3588 8.5046 112.6187 60.8883 69.5959 172.6723 29 P 4.5218 0.0000 0.0000 63.4233 31.8763 176.5134 30 T 4.4418 8.6972 110.2506 61.3941 69.5318 173.9265 31 I 4.5327 7.0182 114.2207 58.3972 40.7133 174.7303 32 A 4.0647 8.4001 124.1576 52.4626 18.7286 178.9145 33 V 4.2794 7.9148 117.3902 59.9923 30.7696 175.2472 34 D 4.5789 8.0346 121.3932 55.3852 41.9552 177.2298 35 T 4.8862 7.5356 108.9114 58.7864 73.2325 174.7233 36 G 3.7581 8.7284 108.3730 48.0793 0.0000 175.8645 37 A 4.0365 7.9752 122.5227 54.9634 18.4271 179.6441 38 I 3.6802 7.6403 118.1877 64.3935 37.2047 178.3164 39 F 4.4584 8.6079 121.8397 61.5119 39.1561 176.7964 40 Q 3.7284 8.4431 119.1231 59.2281 28.8619 178.2488 41 A 3.9684 8.2340 121.8293 55.2445 16.8007 179.0726 42 H 4.1161 8.6600 117.1043 59.8204 29.9683 176.9542 43 C 4.5004 8.4282 118.0913 59.9399 40.8352 176.0102 44 A 3.8914 8.3134 122.8176 54.8624 17.7288 179.3105 45 S 4.2942 8.0055 111.1947 59.9987 63.0936 175.0416 46 K 4.3697 7.0461 119.9891 56.0736 32.3869 176.9157 47 G 3.8710 8.3558 106.4855 45.6903 0.0000 173.6300 48 S 4.9079 7.9474 114.8972 56.5980 65.8940 173.4566 49 K 4.5507 8.9078 120.8199 54.3460 34.4957 174.5540 50 P 4.5183 0.0000 0.0000 61.7526 31.6104 174.8222 51 L 4.9975 8.9308 124.7585 53.0052 45.8201 175.2232 52 C 5.3876 9.1816 118.7167 55.9523 37.0006 172.6431 53 C 5.6144 9.2319 121.2712 54.9915 43.8343 175.2454 54 V 4.3581 8.4644 111.5645 61.6668 31.3949 176.6638 55 A 4.6151 7.5568 122.5158 50.1158 22.3550 174.3385 56 P 4.7807 0.0000 0.0000 62.1961 31.4599 176.0323 57 V 4.4752 7.1831 108.9824 59.9649 36.0465 175.6562 58 A 4.3680 8.4391 124.2573 52.7100 18.9292 176.4966 59 D 4.5349 8.7403 119.0712 53.4138 44.7693 176.5284 60 Q 4.0984 8.8813 123.4398 58.7356 30.2402 175.6110 61 A 4.8733 8.3525 119.6018 51.3452 21.4980 175.4708 62 L 4.7675 8.7596 121.5003 54.6341 45.2317 175.4358 63 L 4.8104 8.3983 119.2336 55.2052 42.3807 177.2193 64 C 5.7737 9.2947 121.0446 55.5919 45.3692 173.4054 65 Q 4.9847 9.3647 120.0531 53.8572 31.6480 174.6977 66 K 4.3375 8.5205 121.5153 56.3495 33.1626 176.6178 67 A 4.2821 8.4739 128.2536 52.5058 18.7178 177.1593 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 A 8.26 4.33 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 2 V 8.18 4.22 2.26 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 0.88 0.00 0.00 0.55 0.00 0.00 3 C 7.65 5.17 0.00 3.01 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 4 P 0.00 4.53 0.00 2.25 2.21 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 5 T 8.04 4.41 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 1.22 0.00 0.00 6 G 8.45 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 7 L 8.83 3.97 0.00 1.75 1.75 0.83 0.77 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 8 F 8.15 4.74 0.00 3.02 3.19 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 9 S 7.70 5.14 0.00 3.86 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 10 N 8.05 4.88 0.00 2.86 2.78 0.00 0.00 6.70 7.54 0.00 0.00 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 P 0.00 4.98 0.00 1.26 1.26 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 12 L 9.40 5.10 0.00 1.65 1.72 1.05 1.11 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 13 C 9.18 5.24 0.00 2.92 3.03 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 14 C 9.08 5.54 0.00 2.83 3.13 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 15 A 8.60 3.97 1.31 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 0.00 0.00 0.00 16 T 7.84 4.63 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 17 N 8.42 5.47 0.00 2.79 2.72 0.00 0.00 5.60 7.68 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 18 V 8.33 4.17 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 0.97 0.00 0.00 0.94 0.00 0.00 19 L 9.35 3.54 0.00 1.82 1.72 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.36 4.49 0.00 2.78 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 21 L 8.14 4.86 0.00 1.73 1.60 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.92 4.98 1.89 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 1.31 0.81 0.98 0.00 0.00 23 G 9.18 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 0.00 0.00 0.00 0.00 24 V 8.57 4.80 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 0.99 0.00 0.00 0.94 0.00 0.00 25 D 8.53 4.81 0.00 2.94 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 26 C 8.52 5.41 0.00 3.04 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 27 K 9.04 5.23 0.00 1.66 1.66 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 28 T 8.50 4.36 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 1.24 0.00 0.00 29 P 0.00 4.52 0.00 2.14 2.11 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 30 T 8.70 4.44 4.28 0.00 0.00 0.00 0.00 0.00 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 31 I 7.02 4.53 1.81 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 0.80 0.56 0.89 0.00 0.00 32 A 8.40 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 4.28 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 0.88 0.00 0.00 0.52 0.00 0.00 34 D 8.03 4.58 0.00 2.65 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 35 T 7.54 4.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 36 G 8.73 3.76 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 0.00 0.00 0.00 37 A 7.98 4.04 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 38 I 7.64 3.68 2.04 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 1.44 0.72 0.95 0.00 0.00 39 F 8.61 4.46 0.00 3.10 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 40 Q 8.44 3.73 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 41 A 8.23 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.66 4.12 0.00 3.35 3.62 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.43 4.50 0.00 2.89 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 44 A 8.31 3.89 1.36 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 0.00 0.00 0.00 45 S 8.01 4.29 0.00 4.05 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 46 K 7.05 4.37 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.39 7.81 47 G 8.36 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 S 7.95 4.91 0.00 3.86 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 49 K 8.91 4.55 0.00 1.61 1.62 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.33 7.81 50 P 0.00 4.52 0.00 0.49 0.90 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 51 L 8.93 5.00 0.00 1.67 1.76 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.18 5.39 0.00 2.98 3.40 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 53 C 9.23 5.61 0.00 2.82 3.05 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 54 V 8.46 4.36 1.76 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 -0.61 0.00 0.00 0.77 0.00 0.00 55 A 7.56 4.62 1.14 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 0.00 0.00 0.00 56 P 0.00 4.78 0.00 2.16 2.31 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 57 V 7.18 4.48 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 0.73 0.00 0.00 0.92 0.00 0.00 58 A 8.44 4.37 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 59 D 8.74 4.53 0.00 2.78 2.46 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 0.00 0.00 0.00 0.00 60 Q 8.88 4.10 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 61 A 8.35 4.87 1.21 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 0.00 0.00 62 L 8.76 4.77 0.00 1.68 1.88 0.90 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.40 4.81 0.00 1.57 1.88 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.29 5.77 0.00 2.93 3.03 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 65 Q 9.36 4.98 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 66 K 8.52 4.34 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.43 7.81 67 A 8.47 4.28 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