NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1069 8.0549 120.3915 62.8086 32.5596 174.5421 2 D 4.6706 8.2790 125.5639 51.1391 44.8105 173.4733 3 N 4.6932 9.5336 118.8006 53.0791 38.3412 175.2487 4 K 4.3861 7.6127 119.9431 54.5193 32.7447 176.3455 5 F 4.9290 8.3543 121.5719 58.5570 38.1648 176.9296 6 N 4.0196 7.0366 116.9745 55.9954 38.1812 176.8570 7 K 3.9986 7.6133 118.9973 59.6652 31.9700 179.0505 8 E 4.1859 8.2948 118.6506 59.3742 29.3495 179.3887 9 L 4.2951 7.9837 118.9214 57.6031 41.6959 179.4606 10 G 3.8069 8.3072 105.8844 47.0611 0.0000 175.8469 11 W 4.5058 8.5225 130.5506 60.7780 30.9353 178.1626 12 A 3.9006 8.9505 121.1914 55.0808 17.7160 179.6915 13 T 3.7484 8.0868 114.5115 66.7177 68.6324 176.6355 14 W 4.2949 7.9516 129.6974 60.3058 30.4920 177.7898 15 E 2.5400 6.2182 117.2733 58.9637 29.0652 179.2196 16 I 3.6467 7.6794 119.9503 64.3317 36.9787 178.5623 17 F 4.5977 8.0517 117.1786 59.9304 38.6611 176.3172 18 N 4.8675 7.5969 115.0154 52.2254 38.8753 174.4289 19 L 4.3441 7.4597 122.8656 53.2353 42.3608 175.8407 20 P 4.5463 0.0000 0.0000 63.9444 31.3380 176.2370 21 N 4.9635 8.6776 114.9623 52.8118 40.4834 174.7002 22 L 4.3625 7.4429 117.5737 54.3991 42.5063 176.1295 23 N 5.3070 8.3324 117.1505 50.4264 41.6298 175.3675 24 G 3.9428 8.8544 107.5617 48.0861 0.0000 176.1647 25 V 3.5347 7.7371 119.7391 66.1525 31.7800 178.0468 26 Q 3.6390 8.8197 118.1468 58.6676 28.3951 178.7171 27 V 3.5573 7.8690 119.3592 66.1120 31.3676 178.0982 28 K 3.5346 7.6472 117.5533 59.4319 31.7316 179.1087 29 A 3.9035 7.4228 120.6036 55.1668 18.2070 179.7614 30 F 4.3542 7.3604 116.2058 60.6873 38.4591 178.1475 31 I 3.7659 8.6499 120.7057 64.2972 36.8794 178.2962 32 D 4.3833 8.9392 121.1096 57.5408 40.7044 178.9689 33 S 4.4780 8.2918 117.1260 60.8208 62.5073 176.6916 34 L 4.2886 7.6912 122.5729 57.4428 41.4842 179.4672 35 R 4.2082 7.5322 115.6522 59.4267 30.0171 178.6843 36 D 4.7106 8.0793 118.0363 56.0012 40.8190 175.6302 37 D 4.4659 7.7622 115.5431 53.1063 43.6171 174.2839 38 P 4.5968 0.0000 0.0000 65.3082 31.8268 179.0200 39 S 4.1691 8.1657 111.9361 61.0293 62.6414 174.7743 40 Q 4.2306 8.5190 118.5694 56.9122 29.0280 177.9634 41 S 4.1242 7.9661 114.4083 61.9182 62.6242 176.6993 42 A 4.1814 8.0227 123.6808 54.7366 18.0144 178.9918 43 N 4.2531 8.8126 116.1364 56.7416 39.0618 177.2241 44 L 3.8096 7.8618 120.0094 57.6102 41.6656 179.2751 45 L 3.7317 8.2434 119.2271 57.5357 41.4948 179.3814 46 A 3.8863 7.9475 120.9760 55.3332 18.3930 179.6283 47 E 3.8231 8.9205 117.9282 59.1679 29.2887 179.5859 48 A 2.8227 7.3379 121.2232 54.6567 18.3432 179.8083 49 K 3.5832 8.3312 117.8199 59.4457 31.9948 179.7973 50 K 3.9398 8.1848 119.2186 59.3852 31.9813 179.4967 51 L 4.0523 8.2116 119.6659 57.6800 41.6262 178.9563 52 N 4.2850 9.0117 118.2640 56.8070 38.6829 176.3328 53 D 4.3030 8.4194 118.2586 57.3833 41.3491 177.8335 54 A 4.1638 8.0022 120.4874 54.6576 18.4722 178.6350 55 Q 4.3569 8.1783 113.8713 55.0548 29.2950 175.9788 56 A 4.4825 7.0689 123.8962 51.2654 19.0415 175.3181 57 P 4.6539 0.0000 0.0000 63.1839 31.7354 176.7536 58 K 4.1501 8.0249 123.8360 57.8645 32.0676 177.0946 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 V 8.05 4.11 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 1.00 0.00 0.00 0.93 0.00 0.00 2 D 8.28 4.67 0.00 2.74 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.53 4.69 0.00 2.85 2.94 0.00 0.00 5.89 7.14 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 4 K 7.61 4.39 0.00 1.82 1.68 0.00 1.54 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.35 7.81 5 F 8.35 4.93 0.00 3.37 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.04 4.02 0.00 2.54 2.69 0.00 0.00 6.70 6.47 0.00 0.00 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 K 7.61 4.00 0.00 1.86 1.92 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 8 E 8.29 4.19 0.00 2.34 2.23 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 2.34 2.38 0.00 9 L 7.98 4.30 0.00 1.98 1.80 1.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.31 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 0.00 0.00 0.00 11 W 8.52 4.51 0.00 3.78 3.62 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 12 A 8.95 3.90 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 3.75 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 14 W 7.95 4.29 0.00 3.58 3.31 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 15 E 6.22 2.54 0.00 1.26 1.17 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 1.47 1.47 0.00 16 I 7.68 3.65 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 0.85 0.00 0.00 17 F 8.05 4.60 0.00 3.36 3.04 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 0.00 0.00 0.00 0.00 18 N 7.60 4.87 0.00 2.70 2.79 0.00 0.00 7.23 7.66 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 19 L 7.46 4.34 0.00 1.84 1.78 0.79 0.88 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 20 P 0.00 4.55 0.00 2.16 2.17 0.00 3.63 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 1.98 2.10 0.00 21 N 8.68 4.96 0.00 2.76 2.92 0.00 0.00 7.08 7.79 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 22 L 7.44 4.36 0.00 1.85 1.69 1.01 1.07 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 23 N 8.33 5.31 0.00 2.89 2.90 0.00 0.00 5.80 6.92 0.00 0.00 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 G 8.85 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 25 V 7.74 3.53 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 0.96 0.00 0.00 0.93 0.00 0.00 26 Q 8.82 3.64 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 27 V 7.87 3.56 1.66 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 -0.78 0.00 0.00 1.00 0.00 0.00 28 K 7.65 3.53 0.00 1.98 1.81 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.61 7.81 29 A 7.42 3.90 0.81 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 0.00 0.00 30 F 7.36 4.35 0.00 3.17 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 31 I 8.65 3.77 1.93 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.95 0.00 0.00 32 D 8.94 4.38 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.48 0.00 4.11 3.98 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 34 L 7.69 4.29 0.00 1.87 1.83 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.53 4.21 0.00 2.03 2.06 0.00 3.21 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 36 D 8.08 4.71 0.00 2.90 2.72 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 37 D 7.76 4.47 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.51 2.34 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 39 S 8.17 4.17 0.00 3.83 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 40 Q 8.52 4.23 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.40 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 41 S 7.97 4.12 0.00 4.27 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 0.00 42 A 8.02 4.18 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 43 N 8.81 4.25 0.00 2.73 2.96 0.00 0.00 7.38 7.25 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 44 L 7.86 3.81 0.00 1.90 1.80 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.24 3.73 0.00 1.78 1.62 0.63 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.95 3.89 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 47 E 8.92 3.82 0.00 1.74 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 0.00 2.65 2.54 0.00 48 A 7.34 2.82 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 49 K 8.33 3.58 0.00 1.79 1.80 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.54 7.81 50 K 8.18 3.94 0.00 1.80 1.84 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 51 L 8.21 4.05 0.00 1.99 1.93 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.01 4.28 0.00 2.74 2.96 0.00 0.00 6.85 8.36 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 53 D 8.42 4.30 0.00 2.73 2.82 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 54 A 8.00 4.16 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 55 Q 8.18 4.36 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 56 A 7.07 4.48 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 57 P 0.00 4.65 0.00 2.17 2.15 0.00 3.50 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 2.10 0.00 58 K 8.02 4.15 0.00 1.75 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.49 7.81