NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 3.3041 8.0433 122.4159 54.6561 43.9361 178.5889 3 Q 3.3344 7.8356 117.6670 57.7117 28.8441 176.3855 4 L 4.6187 8.3959 117.2689 53.9933 43.7055 176.0108 5 W 4.5930 9.0393 122.6111 56.5237 29.8197 176.6682 6 S 4.9876 9.8936 120.4121 56.9286 65.6616 175.3153 7 K 4.6057 8.0004 121.6496 59.7870 32.0748 179.0488 8 F 4.2716 7.4319 118.4207 60.3581 38.7568 177.2256 9 D 3.9296 7.7015 117.6224 56.9694 40.3707 178.8836 10 V 3.7500 7.5901 118.6692 65.8146 31.1649 178.1611 11 G 3.7086 8.2419 105.6930 48.1718 0.0000 175.2939 12 D 4.4190 8.2176 122.0606 56.5759 40.5104 178.6956 13 W 4.2841 8.3464 129.1572 60.6192 30.6886 178.0292 14 L 3.6134 8.4164 118.7401 57.1043 40.8199 179.2310 15 E 3.9013 7.6046 117.8666 58.8303 29.5423 178.7728 16 S 4.0583 7.9568 113.1952 60.2029 62.7642 175.0125 17 I 4.0623 6.5894 114.5859 60.2255 37.4983 174.9377 18 H 4.1088 8.3480 115.6555 58.0473 26.5154 174.8780 19 L 4.7548 8.4284 115.8531 54.1155 43.2300 179.5251 20 G 3.7173 8.3482 110.4936 48.4455 0.0000 175.6851 21 E 4.1849 8.0793 115.5221 57.9123 29.8421 177.3137 22 H 4.9451 8.1578 116.8172 56.0781 30.0057 176.3815 23 R 3.9930 7.7732 118.6301 59.1363 29.1119 178.1955 24 D 4.3482 8.1687 118.2630 57.3128 41.3544 177.9526 25 R 3.9907 8.1491 118.4809 59.7495 30.1052 178.3499 26 F 4.0695 8.6962 117.4190 60.5185 38.9814 177.3482 27 E 4.0968 8.4770 118.1206 58.8377 29.1372 178.5599 28 D 4.3932 8.0957 117.8053 57.1721 41.3669 176.9844 29 H 4.4138 8.1390 113.9392 54.6062 29.6104 174.8545 30 E 3.7251 7.7477 119.3181 57.2778 27.7641 175.6468 31 I 4.0758 8.1782 119.7704 61.2555 38.1546 176.2082 32 E 4.9423 8.4753 124.2139 53.9765 32.1694 176.9144 33 G 3.8994 8.6690 106.9372 48.5350 0.0000 175.9341 34 A 3.9912 7.8532 121.0538 54.9579 18.6747 178.9190 35 H 4.4088 8.3666 115.3851 58.4505 28.6330 177.5172 36 L 4.0426 7.5942 120.9063 57.6735 41.3489 178.0971 37 P 4.2543 0.0000 0.0000 64.8331 31.4104 177.0417 38 A 4.4442 7.7975 118.9355 51.9322 19.5768 177.4027 39 L 3.8897 7.3894 116.6028 55.1612 42.1179 177.4487 40 T 4.6194 8.0507 112.9640 59.6133 72.5235 175.5404 41 K 4.1963 8.6001 121.2110 59.9854 32.0488 178.4126 42 E 4.0545 8.1562 118.3656 59.3308 29.4267 178.8682 43 D 4.2112 7.9611 119.1264 57.1663 40.8445 178.6836 44 F 4.2037 8.2717 118.6889 60.6588 38.9615 177.8481 45 V 3.7102 7.9797 117.8374 66.0664 31.0806 177.7164 46 E 3.9763 7.8740 118.1259 58.9287 29.5591 177.9046 47 L 4.1718 7.9143 116.7029 54.7107 41.7413 177.6787 48 G 4.0057 7.9327 107.5045 45.6835 0.0000 175.1718 49 V 4.1726 8.0099 121.8460 61.5947 29.7577 175.4268 50 T 4.2225 7.9306 112.3076 61.9273 70.1157 175.9245 51 R 4.2591 7.7884 122.7933 55.0154 30.8467 176.8788 52 V 3.6206 8.7068 123.4162 66.1905 31.3639 177.8698 53 G 3.6901 8.0878 104.6633 48.4079 0.0000 175.1585 54 H 4.2941 8.0888 118.4124 58.5339 28.6481 178.0522 55 R 3.4753 7.8242 119.4161 59.2837 29.8219 178.8187 56 E 3.9509 8.3260 118.3737 59.3885 29.3345 179.1961 57 N 4.2982 8.0304 116.7119 56.0623 38.4306 177.6085 58 I 3.6864 7.5004 121.1353 64.4265 37.1422 177.9074 59 E 4.0623 8.1716 118.4374 59.6857 29.5625 179.4684 60 R 4.0187 8.2912 118.1788 59.4283 30.0304 178.1154 61 A 4.0743 7.9091 119.2314 55.3119 18.5172 179.0304 62 L 4.0826 8.4031 116.5056 56.0302 42.1839 177.1384 63 R 4.3571 8.6805 123.0651 57.4110 30.6329 175.8053 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 L 8.04 3.30 0.00 1.32 1.39 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.84 3.33 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 4 L 8.40 4.62 0.00 1.69 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5 W 9.04 4.59 0.00 3.43 3.08 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 0.00 0.00 0.00 0.00 6 S 9.89 4.99 0.00 3.94 4.07 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 7 K 8.00 4.61 0.00 1.79 2.00 0.00 1.31 0.00 0.00 1.61 0.00 0.00 2.52 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.90 0.21 7.81 8 F 7.43 4.27 0.00 3.07 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 9 D 7.70 3.93 0.00 2.26 1.54 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 0.00 0.00 0.00 0.00 10 V 7.59 3.75 2.36 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 1.40 0.00 0.00 1.19 0.00 0.00 11 G 8.24 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.42 0.00 2.68 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 13 W 8.35 4.28 0.00 3.22 3.55 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 14 L 8.42 3.61 0.00 1.81 1.67 0.24 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.60 3.90 0.00 2.21 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 2.26 2.26 0.00 16 S 7.96 4.06 0.00 4.01 4.02 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 17 I 6.59 4.06 1.54 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.32 0.45 0.00 0.00 18 H 8.35 4.11 0.00 3.20 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.43 4.75 0.00 1.54 1.48 0.71 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.35 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 21 E 8.08 4.18 0.00 2.03 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 1.90 2.13 0.00 22 H 8.16 4.95 0.00 3.15 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.77 3.99 0.00 2.10 2.17 0.00 2.88 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 24 D 8.17 4.35 0.00 2.82 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 25 R 8.15 3.99 0.00 2.11 2.18 0.00 3.38 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 26 F 8.70 4.07 0.00 3.42 3.22 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 27 E 8.48 4.10 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.59 0.00 28 D 8.10 4.39 0.00 2.67 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.14 4.41 0.00 3.19 3.22 0.00 5.86 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.75 3.73 0.00 2.08 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 2.40 2.23 0.00 31 I 8.18 4.08 2.16 0.00 0.00 0.73 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 0.89 1.11 0.00 0.00 32 E 8.48 4.94 0.00 1.64 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 2.23 2.37 0.00 33 G 8.67 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 0.00 0.00 0.00 34 A 7.85 3.99 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 35 H 8.37 4.41 0.00 3.31 3.28 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.59 4.04 0.00 1.71 1.77 0.61 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.25 0.00 2.01 2.09 0.00 3.79 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 38 A 7.80 4.44 1.24 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 39 L 7.39 3.89 0.00 1.17 0.54 0.75 0.87 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 40 T 8.05 4.62 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 1.24 0.00 0.00 41 K 8.60 4.20 0.00 1.95 1.93 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.62 7.81 42 E 8.16 4.05 0.00 2.08 1.97 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 2.40 2.47 0.00 43 D 7.96 4.21 0.00 2.57 2.38 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 44 F 8.27 4.20 0.00 3.29 3.08 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 0.00 0.00 0.00 0.00 45 V 7.98 3.71 2.27 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 1.02 0.00 0.00 1.02 0.00 0.00 46 E 7.87 3.98 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 47 L 7.91 4.17 0.00 1.60 1.17 0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.93 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 0.00 0.00 0.00 49 V 8.01 4.17 2.40 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 0.78 0.00 0.00 1.18 0.00 0.00 50 T 7.93 4.22 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 1.26 0.00 0.00 51 R 7.79 4.26 0.00 1.72 1.76 0.00 2.94 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 52 V 8.71 3.62 2.05 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 1.10 0.00 0.00 0.92 0.00 0.00 53 G 8.09 3.69 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 0.00 0.00 0.00 54 H 8.09 4.29 0.00 3.38 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.82 3.48 0.00 1.82 1.54 0.00 2.85 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.57 0.00 56 E 8.33 3.95 0.00 2.11 1.97 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 2.59 2.47 0.00 57 N 8.03 4.30 0.00 2.86 2.76 0.00 0.00 6.96 7.52 0.00 0.00 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 I 7.50 3.69 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 1.35 0.00 0.00 59 E 8.17 4.06 0.00 2.01 2.07 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 2.41 2.45 0.00 60 R 8.29 4.02 0.00 1.90 2.14 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 61 A 7.91 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.08 0.00 2.08 2.00 0.66 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.68 4.36 0.00 1.96 1.94 0.00 3.44 0.00 0.00 3.58 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00