NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.1891 8.2649 123.5809 52.3153 19.4618 176.7978 6 D 4.4861 8.1002 116.5623 53.9923 38.5727 173.7177 7 T 4.1526 8.4014 117.3438 62.4710 70.0732 172.6294 8 P 4.4672 0.0000 0.0000 62.8108 32.0617 175.8481 9 T 4.5297 8.0831 109.7796 59.5454 71.0275 173.6335 10 A 4.2177 8.3930 127.3861 52.0127 19.1717 177.5113 11 C 4.9472 8.4190 119.4286 55.1307 44.1007 173.9197 12 C 4.8450 8.2729 118.6684 55.4581 41.4575 174.0099 13 F 4.4683 8.5925 121.9078 57.3529 40.5392 175.4377 14 S 4.4435 7.6378 112.9969 56.5191 65.9597 172.5446 15 Y 5.1562 7.9972 118.2094 56.0471 40.4522 175.8844 16 T 4.0383 8.6642 119.3712 62.8333 67.8289 173.8258 17 S 4.6739 8.5929 120.4501 58.1349 64.1756 173.7824 18 R 4.1089 7.5258 122.9371 54.9336 30.2645 175.7077 19 Q 2.5200 8.0510 126.7559 55.4927 29.5271 175.1018 20 I 3.9653 5.7156 125.2734 58.8922 38.3335 174.0467 21 P 3.9206 0.0000 0.0000 62.5315 31.8712 176.8918 22 Q 3.9883 8.7323 123.5819 59.5291 28.9609 178.1111 23 N 4.6409 7.8130 112.3752 55.0000 38.8970 175.4249 24 F 4.8608 8.2713 117.0514 57.9627 39.6633 175.1329 25 I 4.6091 7.6128 122.4939 59.9797 37.8046 175.4521 26 A 4.4888 8.9231 128.0364 54.5691 19.3776 176.9378 27 A 4.7275 7.7214 114.1607 51.5391 22.5261 174.8741 28 Y 5.2395 8.3562 116.4571 55.3502 41.8656 175.0113 29 F 4.3951 8.7016 118.0883 55.5746 43.2837 174.2124 30 E 4.3640 8.7605 123.7846 57.0883 29.8667 176.9585 31 T 4.3848 8.3451 113.8480 60.3744 70.6280 174.7393 32 S 4.1907 8.5931 117.4638 58.4097 62.9479 175.4930 33 S 4.1382 8.6492 120.7017 61.4285 62.7679 175.7805 34 Q 4.0901 7.9904 119.2138 58.3847 28.5939 176.2667 35 C 4.5586 7.8293 115.3055 56.5113 40.6855 174.0376 36 S 4.1152 8.4011 115.7225 59.9374 63.2491 174.5168 37 K 4.7049 7.4406 119.2533 53.4361 35.2649 174.1313 38 P 4.4262 0.0000 0.0000 62.9941 32.1463 176.0846 39 G 4.3586 8.3050 107.6150 44.9967 0.0000 171.5885 40 V 4.9427 8.6105 123.0055 60.7887 34.9484 174.1267 41 I 4.9117 8.9428 128.3255 59.7710 39.3942 174.4076 42 F 5.3884 9.5246 126.6885 55.9239 41.3112 174.5230 43 L 5.2834 9.0594 126.1100 53.6974 43.9714 176.2737 44 T 4.9280 8.9038 117.4167 60.8039 70.3084 176.0717 45 K 4.0775 8.7062 121.2295 59.3423 32.0861 178.4870 46 R 4.3060 7.9336 116.1349 56.0234 29.8250 176.5319 47 S 3.8780 8.0163 111.8134 59.3700 60.9832 171.3186 48 R 4.3319 7.9101 121.3648 56.1074 31.2283 175.0177 49 Q 5.2134 8.6563 124.2279 54.2769 31.0842 175.1159 50 V 4.5744 9.0371 123.7202 61.3435 35.1373 173.7483 51 C 5.2935 9.0627 124.8443 56.8426 40.9190 172.4019 52 A 5.2236 9.0599 123.1827 50.5108 23.2527 174.8204 53 D 3.9298 8.0920 119.0210 52.3353 41.4215 175.7968 54 P 4.0746 0.0000 0.0000 64.6951 31.4517 177.1872 55 S 4.4769 7.9609 111.2084 58.2191 63.8878 174.9245 56 E 4.1726 7.8606 122.4784 55.8172 31.1713 177.2199 57 E 3.9255 8.7123 122.5042 59.5276 29.7460 179.9720 58 W 4.2397 8.1994 115.8177 59.1090 28.1208 178.4768 59 V 3.0604 6.6895 118.9551 65.8456 31.0109 177.4483 60 Q 3.9080 7.6256 117.6846 59.3011 28.6116 179.7259 61 K 4.0273 8.2150 120.5607 58.7730 32.0572 178.6457 62 Y 4.0325 8.0825 120.1713 60.8925 38.7239 178.8631 63 V 3.1777 7.8101 120.1654 64.5678 31.5413 178.4166 64 S 4.0352 8.2443 115.1936 61.0555 62.8787 176.0287 65 D 4.3113 8.0385 121.7565 57.0151 40.7050 178.1246 66 L 3.8083 7.2352 118.6632 57.6348 41.6347 178.7168 67 E 4.0181 7.9032 118.2423 59.2293 29.6333 178.3915 68 L 4.1196 7.7710 121.7089 58.6528 42.2689 177.9372 69 S 4.4484 7.7759 121.8253 60.4807 62.4754 175.6176 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 5 A 8.26 4.19 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 6 D 8.10 4.49 0.00 2.95 2.86 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 7 T 8.40 4.15 4.23 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 1.19 0.00 0.00 8 P 0.00 4.47 0.00 2.03 1.98 0.00 3.61 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 2.02 2.07 0.00 9 T 8.08 4.53 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 1.20 0.00 0.00 10 A 8.39 4.22 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 11 C 8.42 4.95 0.00 2.52 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.27 4.84 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.59 4.47 0.00 3.00 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 14 S 7.64 4.44 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.00 5.16 0.00 3.06 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 16 T 8.66 4.04 4.38 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 1.58 0.00 0.00 17 S 8.59 4.67 0.00 4.06 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 18 R 7.53 4.11 0.00 1.70 1.82 0.00 3.23 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 19 Q 8.05 2.52 0.00 0.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.58 0.00 0.00 0.00 0.00 0.00 1.58 1.16 0.00 20 I 5.72 3.97 1.54 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.42 0.89 0.00 0.00 21 P 0.00 3.92 0.00 0.49 1.32 0.00 3.55 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 1.61 1.75 0.00 22 Q 8.73 3.99 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 23 N 7.81 4.64 0.00 2.66 2.95 0.00 0.00 6.87 7.45 0.00 0.00 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 F 8.27 4.86 0.00 3.12 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 25 I 7.61 4.61 1.86 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.42 0.95 0.00 0.00 26 A 8.92 4.49 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.73 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.36 5.24 0.00 2.36 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 29 F 8.70 4.40 0.00 2.79 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 30 E 8.76 4.36 0.00 1.82 1.88 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 2.20 2.22 0.00 31 T 8.35 4.38 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 1.20 0.00 0.00 32 S 8.59 4.19 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.14 0.00 4.01 3.99 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 0.00 0.00 0.00 0.00 34 Q 7.99 4.09 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.83 4.56 0.00 2.97 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 36 S 8.40 4.12 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 4.70 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.38 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 38 P 0.00 4.43 0.00 2.05 1.98 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 39 G 8.31 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 0.00 0.00 0.00 0.00 40 V 8.61 4.94 1.84 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 0.18 0.00 0.00 0.85 0.00 0.00 41 I 8.94 4.91 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.86 0.96 0.00 0.00 42 F 9.52 5.39 0.00 3.05 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 43 L 9.06 5.28 0.00 2.03 1.78 1.06 0.78 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 44 T 8.90 4.93 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 45 K 8.71 4.08 0.00 1.79 1.93 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.26 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.53 1.52 7.81 46 R 7.93 4.31 0.00 1.75 1.91 0.00 3.42 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 47 S 8.02 3.88 0.00 4.06 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 48 R 7.91 4.33 0.00 1.93 1.82 0.00 3.08 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 49 Q 8.66 5.21 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.46 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 50 V 9.04 4.57 2.35 0.00 0.00 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 1.05 0.00 0.00 51 C 9.06 5.29 0.00 3.14 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 52 A 9.06 5.22 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.93 0.00 1.58 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 0.00 0.00 0.00 0.00 54 P 0.00 4.07 0.00 1.98 2.01 0.00 3.49 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 1.95 1.88 0.00 55 S 7.96 4.48 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.86 4.17 0.00 1.83 1.84 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 2.31 2.21 0.00 57 E 8.71 3.93 0.00 2.07 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 0.00 2.40 2.39 0.00 58 W 8.20 4.24 0.00 3.55 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 59 V 6.69 3.06 1.78 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 0.88 0.00 0.00 -0.40 0.00 0.00 60 Q 7.63 3.91 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 61 K 8.21 4.03 0.00 1.86 1.88 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.48 7.81 62 Y 8.08 4.03 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.18 1.52 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 0.74 0.00 0.00 0.80 0.00 0.00 64 S 8.24 4.04 0.00 4.00 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 0.00 65 D 8.04 4.31 0.00 2.71 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 66 L 7.24 3.81 0.00 1.49 1.57 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.90 4.02 0.00 1.98 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 0.00 2.29 2.29 0.00 68 L 7.77 4.12 0.00 1.80 1.63 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.78 4.45 0.00 3.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00