NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3022 8.2649 123.5825 51.1149 20.3880 175.7358 3 K 4.0568 8.1661 114.4592 56.9762 37.1624 177.8521 4 H 3.9823 8.2581 115.8893 55.3458 30.8156 176.5412 5 P 4.4954 0.0000 0.0000 63.3796 31.9366 175.7073 6 V 4.4932 7.8806 119.4566 60.1628 34.7950 172.9705 7 P 4.3166 0.0000 0.0000 62.7673 31.5319 176.7686 8 K 4.1940 8.6387 124.2691 58.3180 32.6748 176.9270 9 K 4.5596 7.6394 116.2020 53.9697 36.0049 175.3856 10 K 3.7389 8.8673 123.7368 56.9646 32.2206 176.4814 11 T 4.0284 8.3891 116.7103 61.6142 69.5172 174.7001 12 S 4.5933 8.2639 118.6907 57.2459 65.9571 175.3971 13 K 3.8224 8.4945 121.1511 60.1748 31.6841 178.6895 14 A 4.0043 8.0918 120.5358 54.6751 18.3427 178.9551 15 R 3.8192 8.1426 115.1985 59.6117 30.0622 178.8041 16 R 3.8574 8.5914 118.0605 59.8159 30.3639 177.9250 17 D 4.4738 8.6317 118.6296 57.1002 40.8058 178.9583 18 A 3.9311 8.3738 121.8318 55.3036 18.2582 179.4296 19 R 4.0437 7.6505 115.4562 59.8369 30.2895 178.1643 20 R 4.4689 7.8405 115.8796 57.4250 29.8884 178.5325 21 S 4.0916 8.3825 114.2714 61.0268 63.0988 174.7439 22 H 4.7918 8.0562 116.5127 56.0061 28.5593 175.5007 23 H 4.3712 8.3201 119.5070 57.6344 29.0240 176.3243 24 A 4.0388 7.9701 121.5981 52.5126 18.5736 177.0339 25 L 4.4490 8.3055 122.1287 54.1423 43.0299 176.2213 26 T 4.6125 7.9636 110.5494 58.9498 70.7474 172.9367 27 P 4.3625 0.0000 0.0000 61.8884 31.9335 174.1086 28 P 4.2452 0.0000 0.0000 63.3263 31.9007 175.6022 29 I 4.4047 8.1484 119.3186 60.0467 38.6668 175.0141 30 L 5.3228 8.4907 126.6240 53.0363 44.7159 176.5803 31 V 4.5877 9.3834 114.7530 58.9187 36.1426 173.4894 32 P 5.5401 0.0000 0.0000 62.3814 31.9643 175.9718 33 C 4.5535 8.4956 117.9561 56.7727 30.9605 172.0600 34 P 4.4336 0.0000 0.0000 65.9888 31.6868 177.4736 35 E 3.8071 8.3760 117.8102 58.6508 28.8202 178.9949 36 C 4.5504 8.4279 125.1263 59.0978 33.5381 172.5061 37 K 4.1453 8.4297 119.9059 56.5796 32.1318 176.2422 38 A 4.2050 7.7463 120.0991 53.6675 19.6620 176.0090 39 M 5.0863 8.4612 118.0035 53.6079 34.0150 175.9056 40 K 4.8160 9.1349 122.4907 53.5118 37.0690 173.8591 41 P 5.5434 0.0000 0.0000 61.5602 32.3708 174.2610 42 P 4.2613 0.0000 0.0000 64.5120 31.7889 175.7431 43 H 4.1119 8.6242 116.4529 56.7164 26.4126 175.3786 44 T 4.6977 7.2321 110.7888 60.5748 70.4744 172.8819 45 V 3.6815 7.9543 116.2330 64.5753 32.7298 172.6259 46 C 3.7381 8.1071 127.2452 57.5764 32.4200 170.7232 47 P 4.4744 0.0000 0.0000 62.7341 31.9670 175.6203 48 E 3.6983 8.4610 115.7193 55.4389 27.3178 173.0705 49 C 5.4739 8.3329 129.6207 58.6001 33.7805 175.0832 50 G 3.7252 7.2714 109.1775 46.9153 0.0000 171.5194 51 Y 5.2452 8.2404 119.5379 57.9717 41.4038 173.6119 52 Y 4.3205 6.5181 121.8611 55.9822 39.8039 175.4460 53 A 4.1189 8.5878 122.3276 52.9182 18.8503 177.1153 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 A 8.26 4.30 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 3 K 8.17 4.06 0.00 1.75 1.66 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.56 7.81 4 H 8.26 3.98 0.00 3.22 2.87 0.00 5.72 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.50 0.00 2.16 2.04 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 6 V 7.88 4.49 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 0.86 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.32 0.00 2.08 1.99 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 K 8.64 4.19 0.00 1.70 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.52 7.81 9 K 7.64 4.56 0.00 1.72 1.63 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.87 3.74 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.39 4.03 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 12 S 8.26 4.59 0.00 4.07 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 13 K 8.49 3.82 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 14 A 8.09 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.82 0.00 1.84 1.97 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 16 R 8.59 3.86 0.00 1.77 2.19 0.00 3.31 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 17 D 8.63 4.47 0.00 2.75 2.71 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 18 A 8.37 3.93 1.39 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 0.00 0.00 0.00 19 R 7.65 4.04 0.00 1.88 2.22 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 20 R 7.84 4.47 0.00 2.06 1.96 0.00 3.24 0.00 0.00 2.96 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 21 S 8.38 4.09 0.00 3.85 4.09 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 0.00 0.00 0.00 0.00 22 H 8.06 4.79 0.00 3.07 3.33 0.00 5.89 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 23 H 8.32 4.37 0.00 3.37 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.97 4.04 1.25 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 0.00 0.00 0.00 25 L 8.31 4.45 0.00 1.63 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.96 4.61 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 27 P 0.00 4.36 0.00 2.20 2.10 0.00 3.79 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 1.99 1.99 0.00 28 P 0.00 4.25 0.00 2.05 2.07 0.00 3.64 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 2.03 2.13 0.00 29 I 8.15 4.40 1.87 0.00 0.00 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 1.34 0.92 0.91 0.00 0.00 30 L 8.49 5.32 0.00 1.48 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.38 4.59 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 0.70 0.00 0.00 0.89 0.00 0.00 32 P 0.00 5.54 0.00 1.94 1.98 0.00 3.71 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 33 C 8.50 4.55 0.00 2.99 2.90 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 34 P 0.00 4.43 0.00 2.33 2.36 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 35 E 8.38 3.81 0.00 2.09 1.85 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 2.46 2.39 0.00 36 C 8.43 4.55 0.00 2.94 2.87 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 37 K 8.43 4.15 0.00 1.76 1.80 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 A 7.75 4.20 1.25 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 0.00 0.00 0.00 39 M 8.46 5.09 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 40 K 9.13 4.82 0.00 1.54 1.57 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.31 7.81 41 P 0.00 5.54 0.00 2.09 2.17 0.00 3.84 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 2.03 1.81 0.00 42 P 0.00 4.26 0.00 2.11 1.95 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 43 H 8.62 4.11 0.00 3.29 3.40 0.00 5.67 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.23 4.70 4.17 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 0.00 0.00 1.24 0.00 0.00 45 V 7.95 3.68 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.78 0.00 0.00 46 C 8.11 3.74 0.00 3.11 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.21 2.06 0.00 3.94 0.00 0.00 3.56 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 48 E 8.46 3.70 0.00 2.00 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 2.21 2.33 0.00 49 C 8.33 5.47 0.00 2.99 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 50 G 7.27 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.24 5.25 0.00 2.63 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 52 Y 6.52 4.32 0.00 2.80 2.74 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 53 A 8.59 4.12 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