NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3469 8.3044 120.3501 55.2421 33.2007 177.6499 2 K 3.9979 8.7516 119.3631 54.6258 32.2928 174.7827 3 R 4.1411 8.7081 125.5346 57.0224 31.9479 176.6243 4 T 4.4389 7.7217 113.9569 58.8132 65.8817 174.0853 5 F 5.1266 7.5500 119.7246 58.0929 42.1042 171.6946 6 Q 4.3734 8.5220 123.8124 52.3967 28.2159 173.6581 7 P 4.3025 0.0000 0.0000 63.6124 31.7305 177.6363 8 S 4.4081 8.5293 109.7253 56.4126 63.7358 176.0114 9 V 3.6115 8.5431 129.7740 64.9012 31.0342 177.5022 10 L 4.0841 7.9191 120.1406 57.7994 42.0252 178.9462 11 K 3.9980 8.0082 117.8451 59.5678 31.7355 179.2305 12 R 4.0595 8.6127 116.6116 60.3017 28.8295 176.8850 13 N 4.6894 8.3083 117.9201 53.9643 38.2013 176.9440 14 R 3.8438 8.0087 124.9419 59.9875 30.6966 178.7368 15 S 4.2212 7.9163 114.2335 60.6453 63.7493 175.5923 16 H 4.9320 7.7646 116.1615 55.0685 29.5256 173.4007 17 G 4.0271 8.1735 109.8079 44.0345 0.0000 173.9167 18 F 4.1608 8.2442 120.4308 60.6984 39.0704 176.8725 19 R 3.5803 8.3338 118.4574 59.5602 30.1391 178.5384 20 A 4.0913 7.8680 119.0931 55.0669 18.6579 179.1899 21 R 3.9798 7.6451 116.8138 59.4165 29.8829 178.0841 22 M 4.2813 8.1475 117.0584 55.5328 30.8034 176.5491 23 A 4.3725 7.0775 120.9055 53.7451 21.4355 179.3197 24 T 4.1107 7.3746 103.2823 60.7516 71.2393 174.8073 25 K 3.8560 8.4852 121.6661 59.8910 32.4556 177.9615 26 N 4.5141 8.1650 115.9349 56.3601 38.6238 177.3702 27 G 3.5485 8.2397 107.0260 47.9598 0.0000 175.6182 28 R 4.0787 8.1142 120.7687 57.7567 29.8632 177.3897 29 Q 4.2350 7.9302 118.4797 57.8569 29.2704 177.5457 30 V 3.4347 8.0362 120.0399 66.0175 31.6201 177.8409 31 L 3.9572 7.8638 117.9236 57.8687 40.8312 179.1020 32 A 4.2797 7.5243 120.1125 54.7511 18.0830 179.4406 33 R 3.8456 7.9310 117.2958 59.3158 30.4769 178.3357 34 R 3.8900 7.8891 117.2285 59.3629 29.9798 178.6447 35 R 3.8812 8.5075 118.1769 59.6034 29.9763 178.2899 36 A 4.1246 7.1690 120.0796 55.0111 18.7595 179.3306 37 K 3.9851 8.2984 116.7520 57.8445 32.1582 177.1627 38 G 3.7877 7.9918 106.4111 45.9101 0.0000 173.6412 39 R 3.9413 7.9780 118.3801 56.2782 30.1120 175.1922 40 A 4.3118 7.9200 122.6738 53.8896 19.6569 179.0002 41 R 4.2909 7.6109 120.2034 54.1284 29.1404 176.6208 42 L 3.9959 7.7585 124.0452 57.2136 42.5698 178.2449 43 T 4.1442 8.0117 106.9987 61.9646 68.9116 171.9907 44 V 3.1060 8.3767 120.6743 63.8856 28.5032 173.2697 45 S 3.9340 7.6729 118.3229 59.0607 63.3778 175.1625 46 K 3.9887 7.6961 127.2288 56.3451 31.9854 174.8491 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 M 8.30 4.35 0.00 2.00 1.35 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 8.75 4.00 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 R 8.71 4.14 0.00 1.86 1.94 0.00 3.43 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.72 4.44 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 1.24 0.00 0.00 5 F 7.55 5.13 0.00 2.72 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 8.52 4.37 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 7 P 0.00 4.30 0.00 2.07 1.73 0.00 3.59 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 8 S 8.53 4.41 0.00 3.87 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.61 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 0.83 0.00 0.00 0.95 0.00 0.00 10 L 7.92 4.08 0.00 1.74 1.72 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.01 4.00 0.00 2.01 1.86 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 12 R 8.61 4.06 0.00 2.09 2.47 0.00 2.84 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 13 N 8.31 4.69 0.00 2.97 2.77 0.00 0.00 6.81 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 14 R 8.01 3.84 0.00 1.76 2.04 0.00 3.21 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 15 S 7.92 4.22 0.00 3.62 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.76 4.93 0.00 3.09 3.25 0.00 5.84 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 17 G 8.17 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 0.00 0.00 0.00 18 F 8.24 4.16 0.00 3.11 3.01 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 19 R 8.33 3.58 0.00 1.88 2.05 0.00 3.35 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 20 A 7.87 4.09 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 21 R 7.65 3.98 0.00 2.07 1.80 0.00 3.07 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 22 M 8.15 4.28 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.41 0.00 23 A 7.08 4.37 1.23 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 0.00 0.00 0.00 0.00 0.00 24 T 7.37 4.11 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 1.18 0.00 0.00 25 K 8.49 3.86 0.00 1.73 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.58 7.81 26 N 8.16 4.51 0.00 2.83 2.85 0.00 0.00 6.80 7.60 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 27 G 8.24 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 0.00 0.00 0.00 28 R 8.11 4.08 0.00 1.77 2.11 0.00 3.22 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 29 Q 7.93 4.24 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 30 V 8.04 3.43 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 0.97 0.00 0.00 0.98 0.00 0.00 31 L 7.86 3.96 0.00 1.72 1.75 0.66 0.73 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 32 A 7.52 4.28 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 R 7.93 3.85 0.00 2.05 2.03 0.00 3.10 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 34 R 7.89 3.89 0.00 1.91 1.96 0.00 3.22 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 35 R 8.51 3.88 0.00 1.78 2.21 0.00 3.29 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 36 A 7.17 4.12 1.44 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 0.00 0.00 0.00 37 K 8.30 3.99 0.00 1.71 2.03 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 38 G 7.99 3.79 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 0.00 0.00 0.00 39 R 7.98 3.94 0.00 1.93 1.89 0.00 3.28 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 40 A 7.92 4.31 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 41 R 7.61 4.29 0.00 1.83 1.93 0.00 3.26 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 42 L 7.76 4.00 0.00 1.65 1.79 1.06 1.05 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 43 T 8.01 4.14 4.36 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 1.26 0.00 0.00 44 V 8.38 3.11 2.14 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 0.85 0.00 0.00 0.97 0.00 0.00 45 S 7.67 3.93 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.70 3.99 0.00 1.66 1.64 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.35 7.81