NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2372 8.1593 112.9291 60.7968 69.0495 172.8499 2 W 4.4469 7.8551 124.0283 55.8225 29.2618 175.8038 3 L 4.4409 6.1863 120.3602 51.9057 42.6342 174.9207 4 P 4.2532 0.0000 0.0000 65.0087 31.6772 176.9349 5 T 4.5360 7.2904 105.6964 60.3250 71.4225 172.7469 6 L 4.3907 8.0881 119.8868 55.2449 42.8406 177.8301 7 V 3.7739 7.6310 118.6389 63.2028 31.9025 175.0855 8 T 4.8393 8.2826 122.0520 61.5542 72.4474 173.9341 9 A 4.3371 8.7351 128.0082 54.8131 18.9020 178.8978 10 T 4.4445 7.5631 104.4287 58.4827 73.3059 172.9056 11 P 2.0000 0.0000 0.0000 65.1642 31.2041 178.7932 12 Q 3.8734 7.5503 117.8205 59.1686 29.1528 177.7873 13 E 4.5030 7.4734 120.3903 58.4691 29.4486 179.5508 14 G 4.0253 8.2237 106.4112 47.5912 0.0000 175.7132 15 F 4.1432 8.4600 123.0675 61.2944 38.9399 176.7438 16 D 4.4792 8.2436 118.4225 57.6030 40.6442 178.7808 17 L 4.0345 8.1885 120.3500 57.9665 42.0845 178.8490 18 A 3.9800 8.1266 120.7756 55.2491 18.4801 179.7295 19 V 3.4665 7.7541 116.7348 66.0649 31.4942 177.8833 20 K 3.9170 8.1672 119.3979 59.3034 31.8091 178.4345 21 L 3.9580 8.0317 119.0496 58.3179 40.5789 180.0440 22 S 4.2368 8.0939 114.5619 61.7339 62.7244 177.0845 23 R 4.0381 7.8235 120.6755 59.0636 29.7010 179.0983 24 I 3.4474 7.8940 112.8752 63.8713 37.3999 177.8753 25 A 3.6533 7.5564 121.2057 55.1168 18.0692 179.8803 26 V 3.4840 7.1197 113.5179 65.7057 31.3206 178.0394 27 K 3.7959 7.9980 119.5293 59.5594 31.8100 178.7189 28 K 3.9270 8.4916 118.5021 59.8026 32.0820 179.1984 29 T 4.2127 7.7057 108.6876 63.2045 69.7321 174.2048 30 Q 4.4107 7.8685 122.2591 53.2153 28.9684 172.5142 31 P 4.5339 0.0000 0.0000 63.2586 32.4510 177.8065 32 D 4.5224 8.0545 119.6404 53.6978 38.9670 175.6835 33 A 4.0268 8.4140 127.1329 54.7804 18.3359 178.9040 34 Q 3.8840 8.1868 117.9244 59.6411 29.1467 178.9754 35 V 3.7015 7.8095 113.3812 64.2323 31.4837 178.5845 36 R 3.9255 8.0893 117.5577 59.4574 29.9764 178.4997 37 D 4.3516 8.0438 118.1531 57.7843 40.4584 178.9097 38 T 3.8951 7.6348 115.6346 66.8134 68.4594 176.6943 39 L 4.3284 8.7323 121.1905 57.4856 41.6701 179.2933 40 R 3.7409 8.5779 119.1269 59.5017 29.7662 178.4453 41 A 4.2451 7.5882 120.0778 54.2335 18.6431 179.6498 42 V 3.7198 7.1810 117.6031 66.3391 31.8346 177.9003 43 Y 4.3902 8.0296 117.5816 59.6081 37.8278 177.2807 44 E 3.8591 7.4040 119.7813 58.1988 29.0698 178.3007 45 K 4.3667 7.2006 115.3531 56.3109 33.1195 175.5707 46 D 4.8320 8.2994 120.1728 52.7059 42.9080 176.4893 47 A 4.0161 8.5181 129.3273 55.4767 18.5787 178.8606 48 N 4.3186 8.2912 114.3346 56.3895 38.6202 177.4140 49 A 4.0032 8.4330 122.2348 55.1788 18.5017 179.7464 50 L 4.1891 8.1761 117.4650 57.7126 41.6320 179.8523 51 I 3.7585 7.7616 119.4686 64.1328 37.0619 178.2066 52 A 3.9536 8.1964 121.7809 55.1115 18.3122 179.6190 53 V 3.4584 8.2471 117.1106 66.4615 31.3340 178.2161 54 S 4.1585 8.0329 111.0982 61.0852 62.4368 175.7847 55 A 4.1329 7.9024 123.6742 55.1829 18.3247 179.5895 56 V 3.5443 7.7047 117.0119 66.2724 31.5717 178.5679 57 V 3.7150 7.7751 117.5930 64.2017 31.1092 178.2076 58 A 4.1451 7.9785 122.1233 55.2174 18.2664 179.7651 59 T 3.8599 7.8105 113.8632 67.2743 68.7085 176.6783 60 H 4.3239 8.1090 117.5617 58.6507 28.6109 177.6990 61 F 4.3338 8.5148 122.8575 60.9507 39.1710 177.0668 62 Q 3.9372 7.9282 119.4383 59.4354 29.0494 178.1326 63 T 3.7670 7.7376 116.5777 66.9403 68.5922 176.4721 64 I 3.5875 7.8714 120.0051 63.6468 37.9172 177.5970 65 A 3.2570 7.9621 122.0219 54.9232 18.1219 179.4288 66 A 2.9574 7.4444 118.7459 54.7199 18.1384 179.5121 67 A 3.7325 7.0132 117.7417 55.3603 18.7102 178.9555 68 N 4.1895 7.2567 113.0442 52.3446 38.1182 175.2857 69 D 4.1323 7.8452 117.1597 55.0336 40.3385 173.0772 70 Y 3.5742 7.1372 111.3147 58.0750 35.6462 169.6677 71 W 4.0011 7.8859 125.8073 57.4371 29.9574 174.3818 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 T 8.16 4.24 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 2 W 7.86 4.45 0.00 3.66 3.26 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 3 L 6.19 4.44 0.00 0.68 0.41 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.25 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 5 T 7.29 4.54 4.19 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 1.16 0.00 0.00 6 L 8.09 4.39 0.00 1.56 1.67 0.86 0.84 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 7 V 7.63 3.77 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 0.77 0.00 0.00 0.84 0.00 0.00 8 T 8.28 4.84 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 9 A 8.74 4.34 1.38 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 0.00 0.00 10 T 7.56 4.44 4.05 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 0.00 0.00 0.00 1.19 0.00 0.00 11 P 0.00 2.00 0.00 1.82 1.75 0.00 3.16 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 12 Q 7.55 3.87 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 13 E 7.47 4.50 0.00 2.29 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 0.00 2.36 2.20 0.00 14 G 8.22 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 15 F 8.46 4.14 0.00 3.08 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.48 0.00 3.04 2.79 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 17 L 8.19 4.03 0.00 2.01 1.96 0.99 0.95 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 18 A 8.13 3.98 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 19 V 7.75 3.47 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 1.01 0.00 0.00 0.88 0.00 0.00 20 K 8.17 3.92 0.00 1.93 2.00 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.21 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.53 7.81 21 L 8.03 3.96 0.00 1.63 1.43 0.91 1.16 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 22 S 8.09 4.24 0.00 4.01 3.92 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 0.00 0.00 0.00 0.00 23 R 7.82 4.04 0.00 1.98 1.94 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 24 I 7.89 3.45 1.23 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.81 0.00 0.00 25 A 7.56 3.65 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.12 3.48 2.19 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 0.94 0.00 0.00 0.91 0.00 0.00 27 K 8.00 3.80 0.00 1.74 1.80 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.41 7.81 28 K 8.49 3.93 0.00 1.57 1.81 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.30 1.37 7.81 29 T 7.71 4.21 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 1.23 0.00 0.00 30 Q 7.87 4.41 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 31 P 0.00 4.53 0.00 2.19 2.12 0.00 3.41 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 32 D 8.05 4.52 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.03 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 34 Q 8.19 3.88 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 35 V 7.81 3.70 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 0.83 0.00 0.00 1.00 0.00 0.00 36 R 8.09 3.93 0.00 2.04 2.02 0.00 3.13 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 37 D 8.04 4.35 0.00 2.96 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 38 T 7.63 3.90 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 1.22 0.00 0.00 39 L 8.73 4.33 0.00 1.74 1.81 0.93 1.05 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 40 R 8.58 3.74 0.00 1.98 2.16 0.00 2.53 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 41 A 7.59 4.25 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 42 V 7.18 3.72 2.30 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 1.08 0.00 0.00 1.01 0.00 0.00 43 Y 8.03 4.39 0.00 3.19 3.19 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 44 E 7.40 3.86 0.00 1.98 1.81 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 2.27 2.19 0.00 45 K 7.20 4.37 0.00 1.92 1.88 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.39 7.81 46 D 8.30 4.83 0.00 2.86 2.78 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 47 A 8.52 4.02 1.34 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 0.00 0.00 48 N 8.29 4.32 0.00 2.96 2.90 0.00 0.00 6.98 7.12 0.00 0.00 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 A 8.43 4.00 1.50 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 0.00 0.00 50 L 8.18 4.19 0.00 1.78 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.76 3.76 2.05 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 1.48 0.89 0.93 0.00 0.00 52 A 8.20 3.95 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 53 V 8.25 3.46 2.33 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 1.03 0.00 0.00 0.80 0.00 0.00 54 S 8.03 4.16 0.00 4.05 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 55 A 7.90 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.54 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.97 0.00 0.00 57 V 7.78 3.72 1.92 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 0.83 0.00 0.00 0.43 0.00 0.00 58 A 7.98 4.15 1.51 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 0.00 0.00 59 T 7.81 3.86 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 1.16 0.00 0.00 60 H 8.11 4.32 0.00 3.22 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.51 4.33 0.00 3.14 3.28 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 62 Q 7.93 3.94 0.00 2.36 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.55 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 63 T 7.74 3.77 4.40 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 0.00 0.00 0.00 1.19 0.00 0.00 64 I 7.87 3.59 1.86 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 1.02 0.00 0.00 65 A 7.96 3.26 1.02 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 0.00 0.00 66 A 7.44 2.96 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 67 A 7.01 3.73 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.26 4.19 0.00 1.44 1.42 0.00 0.00 6.81 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.85 4.13 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.14 3.57 0.00 3.23 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 71 W 7.89 4.00 0.00 3.50 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