NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9138 8.3393 109.7355 44.6111 0.0000 173.7920 2 P 4.1989 0.0000 0.0000 61.8849 32.1013 172.6352 3 E 4.4511 8.3877 119.3764 55.1256 30.5925 176.4787 4 T 4.7714 8.1342 112.9248 59.5492 72.7320 173.0333 5 L 4.6853 8.1338 122.2707 53.6701 44.0186 174.6709 6 C 4.8631 8.3911 122.3999 55.8777 38.8457 176.2835 7 G 3.5568 8.8526 107.0715 46.4790 0.0000 176.0856 8 A 4.0367 8.5790 120.6411 55.2150 18.3749 179.3302 9 E 3.7956 8.1222 116.8173 59.4247 29.5766 179.2056 10 L 3.8529 7.7317 119.8183 58.2207 42.3544 179.0646 11 V 3.4874 7.6507 117.7117 65.8296 31.3642 177.7501 12 D 4.3308 8.7614 119.2456 57.0991 40.6208 178.5624 13 A 4.0418 7.7579 120.7116 55.2796 18.4563 179.6526 14 L 3.6397 7.3493 116.9752 57.9956 41.5431 179.8895 15 Q 4.2363 8.0429 117.9072 58.6825 28.4556 178.2716 16 F 4.4704 8.4441 121.6108 61.0976 39.4781 176.7514 17 V 3.6342 8.2711 117.8339 65.2939 31.7736 177.1395 18 C 4.4331 8.6922 115.6859 57.9426 40.5211 176.9167 19 G 4.2375 8.6847 107.4359 46.7127 0.0000 173.7058 20 D 4.6674 9.2051 121.2531 54.3965 41.2959 176.2399 21 R 3.9944 7.7845 118.0128 57.7313 30.4283 176.0984 22 G 3.5836 8.0273 105.5380 45.6407 0.0000 172.6323 23 F 4.4938 7.4510 116.4776 56.4130 39.1649 175.3525 24 Y 5.0659 7.4064 119.7155 55.3491 40.8828 175.7492 25 F 3.9051 9.4052 121.7617 59.8363 39.5140 174.8969 26 N 5.2563 8.3367 119.0134 51.7177 39.6725 173.8330 27 K 4.5690 8.3985 123.6726 54.4161 35.5648 173.9860 28 P 4.5166 0.0000 0.0000 63.6317 32.0158 175.3558 29 T 4.5967 8.3284 106.5315 62.6452 73.9260 173.8661 30 G 3.7429 7.2212 108.0967 44.7276 0.0000 172.5449 31 Y 4.5910 7.6936 114.4411 56.5349 42.8516 175.7514 32 G 4.3162 8.6604 115.3896 44.3944 0.0000 172.2972 33 S 4.6622 7.9468 112.0703 59.7267 68.6139 174.7690 34 S 4.2096 8.1524 113.0350 60.6486 62.4498 174.1858 35 S 4.4872 7.8677 116.2667 57.7216 63.3920 173.5688 36 R 4.0129 8.5389 126.3122 58.6937 30.3630 176.4341 37 R 4.0105 7.8140 120.2487 56.2077 29.9638 175.4861 38 A 4.5451 8.1145 127.4555 50.4416 22.0524 173.9705 39 P 4.5342 0.0000 0.0000 61.8560 32.8042 175.0659 40 Q 4.4029 8.2030 119.7029 55.0613 29.5359 174.4641 41 T 4.5879 8.1430 117.6017 61.2887 70.7343 170.8973 42 G 4.6617 8.6686 113.7206 44.8827 0.0000 172.6912 43 I 4.1042 8.3798 121.2731 61.7139 39.8584 176.8876 44 V 3.8394 7.4277 120.3463 65.6026 31.9037 177.3169 45 D 4.6433 8.0852 121.3562 56.6665 41.1852 177.3992 46 E 4.2951 8.2941 118.9384 57.5811 30.4125 177.0089 47 C 5.5021 8.3522 116.8736 56.6339 45.7510 174.9671 48 C 4.2438 8.9260 119.5355 59.3966 43.4441 174.6159 49 F 4.0509 8.4067 116.6719 59.2677 39.1591 175.7657 50 R 4.7222 7.7996 117.7442 53.8599 33.3653 174.8053 51 S 4.4655 8.6127 115.3853 58.0083 63.2938 172.1930 52 C 5.0789 8.4673 123.4416 53.5296 38.9416 172.2031 53 D 5.1655 8.1870 117.2473 51.7191 41.5906 177.0739 54 L 4.0581 8.4018 120.8274 57.9197 41.6160 179.9107 55 R 3.9626 8.0591 117.6644 59.1887 29.9498 178.9056 56 R 3.9163 7.9676 117.6843 59.0680 29.5828 178.7936 57 L 4.2039 8.0225 118.9250 57.9526 41.3923 179.4096 58 E 3.8850 8.1981 118.5569 59.3367 29.0985 179.0928 59 M 3.9349 7.5028 118.1061 58.7464 32.0657 178.2312 60 Y 3.6481 7.1090 116.2129 59.5489 37.9280 175.9501 61 C 4.2859 7.2281 117.4636 56.6730 40.7166 173.7034 62 A 4.4342 8.3355 127.3152 51.3219 18.7100 175.6432 63 P 4.3756 0.0000 0.0000 64.9642 31.8125 176.8317 64 L 4.2132 7.6637 118.3976 55.7432 40.8105 175.8168 65 K 4.5621 7.9895 118.6178 54.0780 35.1200 174.5862 66 P 4.4982 0.0000 0.0000 62.2890 32.6686 175.1682 67 A 4.4644 8.1630 120.2969 51.9055 19.7908 176.6846 68 K 4.3681 7.8897 118.9084 55.5596 34.9501 174.6764 69 S 4.4440 8.5705 118.5853 57.5383 63.2546 173.9183 70 A 4.1659 8.3094 129.1163 52.7656 18.7545 175.6663 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 8.34 3.91 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 0.00 0.00 0.00 2 P 0.00 4.20 0.00 2.27 2.07 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 3 E 8.39 4.45 0.00 1.94 1.94 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 2.22 2.32 0.00 4 T 8.13 4.77 4.37 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 1.20 0.00 0.00 5 L 8.13 4.69 0.00 1.72 1.54 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.39 4.86 0.00 2.79 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 7 G 8.85 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.58 4.04 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 9 E 8.12 3.80 0.00 2.22 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 2.37 2.34 0.00 10 L 7.73 3.85 0.00 1.88 1.81 0.81 0.97 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 11 V 7.65 3.49 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 1.18 0.00 0.00 1.11 0.00 0.00 12 D 8.76 4.33 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.04 1.32 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 0.00 0.00 0.00 14 L 7.35 3.64 0.00 0.72 0.13 -0.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.04 4.24 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.96 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 16 F 8.44 4.47 0.00 2.96 3.24 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 17 V 8.27 3.63 2.04 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 0.78 0.00 0.00 0.93 0.00 0.00 18 C 8.69 4.43 0.00 3.35 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 19 G 8.68 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 20 D 9.21 4.67 0.00 2.65 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 21 R 7.78 3.99 0.00 1.88 2.18 0.00 3.63 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 22 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.45 4.49 0.00 2.92 2.96 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 24 Y 7.41 5.07 0.00 3.13 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 25 F 9.41 3.91 0.00 3.20 3.21 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 26 N 8.34 5.26 0.00 2.79 2.81 0.00 0.00 6.83 6.74 0.00 0.00 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 8.40 4.57 0.00 1.83 1.59 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.26 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.98 1.91 7.81 28 P 0.00 4.52 0.00 2.12 2.05 0.00 3.63 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 1.88 0.00 29 T 8.33 4.60 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 1.27 0.00 0.00 30 G 7.22 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 4.59 0.00 2.97 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 32 G 8.66 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 0.00 0.00 0.00 0.00 33 S 7.95 4.66 0.00 3.83 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 34 S 8.15 4.21 0.00 3.77 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 35 S 7.87 4.49 0.00 3.94 3.81 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 36 R 8.54 4.01 0.00 1.77 1.94 0.00 3.24 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 37 R 7.81 4.01 0.00 1.79 1.85 0.00 3.36 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 38 A 8.11 4.55 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 39 P 0.00 4.53 0.00 2.16 2.06 0.00 3.76 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 1.96 1.93 0.00 40 Q 8.20 4.40 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 41 T 8.14 4.59 4.22 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 1.22 0.00 0.00 42 G 8.67 4.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.38 4.10 0.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.06 0.15 0.00 0.00 44 V 7.43 3.84 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 1.22 0.00 0.00 1.26 0.00 0.00 45 D 8.09 4.64 0.00 2.69 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 46 E 8.29 4.30 0.00 2.05 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 0.00 2.33 2.41 0.00 47 C 8.35 5.50 0.00 3.07 3.02 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 0.00 0.00 0.00 0.00 48 C 8.93 4.24 0.00 2.96 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 49 F 8.41 4.05 0.00 3.26 3.12 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 0.00 0.00 0.00 0.00 50 R 7.80 4.72 0.00 2.07 1.82 0.00 3.16 0.00 0.00 3.44 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 51 S 8.61 4.47 0.00 3.99 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 52 C 8.47 5.08 0.00 3.12 3.38 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 53 D 8.19 5.17 0.00 2.81 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 54 L 8.40 4.06 0.00 1.76 1.77 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.06 3.96 0.00 2.05 1.97 0.00 3.12 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 56 R 7.97 3.92 0.00 1.99 2.02 0.00 3.26 0.00 0.00 3.43 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.85 0.00 57 L 8.02 4.20 0.00 1.75 1.70 0.94 0.63 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 58 E 8.20 3.89 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 2.28 2.31 0.00 59 M 7.50 3.93 0.00 1.72 1.74 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 60 Y 7.11 3.65 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.23 4.29 0.00 3.03 3.02 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 0.00 0.00 0.00 0.00 62 A 8.34 4.43 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 63 P 0.00 4.38 0.00 2.21 2.21 0.00 3.85 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 2.01 1.98 0.00 64 L 7.66 4.21 0.00 1.76 1.76 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.99 4.56 0.00 1.67 1.65 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.41 7.81 66 P 0.00 4.50 0.00 2.22 2.09 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 67 A 8.16 4.46 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 68 K 7.89 4.37 0.00 1.67 1.63 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.38 7.81 69 S 8.57 4.44 0.00 3.87 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.31 4.17 1.19 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