NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3252 8.1749 117.3742 63.0533 70.1431 174.2540 4 S 4.1670 8.3931 122.0107 58.2614 64.8787 174.1855 5 T 3.9791 8.4631 121.3219 66.8165 68.5874 176.6916 6 L 3.8005 7.8792 121.7411 58.0542 42.1374 178.4149 7 Q 3.9099 8.0743 119.0247 59.2839 28.8991 178.4795 8 K 3.7288 8.0911 119.0786 59.1464 32.0010 179.0428 9 A 3.4525 7.5883 120.9436 55.1046 18.0555 179.7939 10 I 3.7830 7.5550 118.3329 64.4170 37.1608 178.1106 11 D 4.2120 8.0420 119.0288 57.4099 41.0376 178.4050 12 L 3.8094 7.9674 120.0109 57.6345 41.5372 179.9475 13 V 3.2802 7.7621 119.1839 64.8127 31.4120 178.4359 14 T 3.7838 8.2326 116.8242 66.3465 68.2738 176.3515 15 K 4.2384 8.1071 122.3605 58.8404 32.1197 178.3167 16 A 3.6983 7.7458 121.3393 55.4675 18.0606 179.7528 17 T 3.9262 7.8641 108.3256 64.8761 68.6822 176.5544 18 E 3.9786 7.9825 120.2400 59.2380 29.4601 179.0899 19 E 3.9288 8.4600 119.8759 59.0441 29.5011 178.6577 20 D 4.4372 8.3891 118.2651 57.4827 41.0736 178.5905 21 K 4.0972 7.9902 117.7712 59.2428 32.1357 178.5702 22 A 4.2156 7.6983 117.2036 51.8944 18.0993 177.3216 23 K 3.6397 7.6570 116.2104 58.4816 30.4165 177.6529 24 N 4.5424 8.1920 117.4482 51.8977 35.3879 174.5731 25 Y 4.4180 6.5362 121.7323 61.1572 38.5981 178.1806 26 E 3.9653 8.1681 118.8609 59.4792 29.7588 178.8598 27 E 3.8983 8.1365 118.4542 59.2235 29.8077 178.3894 28 A 3.9142 8.7508 121.2989 55.0735 18.4857 179.2808 29 L 4.1714 8.5992 119.0848 58.5382 42.1893 179.4009 30 R 3.9883 8.0776 117.9163 59.3963 30.0122 179.1272 31 L 3.9906 8.0348 118.6979 57.7833 41.5510 179.0906 32 Y 4.1000 8.3477 117.1486 61.3487 37.9108 178.8251 33 Q 4.1365 8.3571 118.8282 59.2016 28.7726 178.6642 34 H 4.1976 8.2928 116.9629 58.8152 28.7732 177.3848 35 A 3.8384 8.5275 122.8995 55.4302 18.0815 179.7235 36 V 3.9410 8.0494 116.4595 66.2609 31.6029 177.5906 37 E 4.0181 8.2469 118.8800 59.8697 29.4777 178.5630 38 Y 3.8081 8.3962 116.5503 60.8512 37.9727 178.5383 39 F 4.2973 8.4055 118.8455 60.7750 39.2320 177.7389 40 L 4.1739 8.5437 118.9016 58.1570 41.3897 179.1377 41 H 4.3172 8.5611 118.0019 58.8770 29.7098 177.3450 42 A 4.1018 8.2673 123.2365 55.1877 18.0948 179.6965 43 I 3.9773 7.6522 110.0023 63.8321 37.6569 178.3822 44 K 4.0910 7.8984 119.1391 59.3662 32.3264 178.4640 45 Y 4.1105 8.6013 114.5152 58.0796 38.4194 175.4291 46 E 4.7434 8.1102 118.7412 54.1171 32.7394 175.0827 47 A 4.5959 8.1335 124.1535 51.5082 20.4657 176.4451 48 H 4.8049 8.1954 116.6202 53.4584 32.9347 174.3350 49 S 4.3708 8.5532 117.9796 58.5402 64.5327 175.7072 50 D 4.3578 8.5497 122.4763 57.6681 40.6593 179.0736 51 K 3.8492 8.2409 118.5161 60.1024 32.1732 178.6575 52 A 3.9394 7.8395 121.0819 54.9473 18.4897 179.2877 53 K 3.8845 8.0549 116.8319 59.9586 32.1633 179.2176 54 E 3.9752 8.4894 118.8845 59.5642 29.2651 179.5005 55 S 4.0466 8.0295 112.9743 61.4248 62.4054 176.3848 56 I 3.5794 7.7863 122.4284 64.4834 36.9872 178.6784 57 R 3.8500 8.6494 119.0217 58.9868 29.7860 179.1333 58 A 3.8720 8.3006 120.9751 55.2307 18.5132 179.9494 59 K 3.4822 8.0454 117.2177 59.2834 31.8941 179.3446 60 C 4.1908 8.4562 117.8299 63.0194 28.1751 176.7130 61 V 3.5987 7.6110 120.1346 64.6784 30.8043 178.5173 62 Q 3.8154 7.5071 118.4644 58.9124 28.5058 178.0471 63 Y 4.2287 7.8334 117.9759 61.0731 37.9669 178.6084 64 L 4.0058 8.2254 120.0016 57.9112 41.8162 178.7874 65 D 4.4810 8.0635 117.8617 57.7438 40.9941 178.7917 66 R 3.7954 7.8416 117.9072 59.2242 30.0032 178.9178 67 A 3.9757 7.9103 120.5410 55.0183 18.2611 179.5304 68 E 3.8839 8.6813 117.6579 59.5144 29.6303 179.6782 69 K 3.9757 8.0913 118.7464 59.9268 32.6517 179.0128 70 L 3.8712 8.0415 120.1778 57.5828 41.6529 179.4728 71 K 3.8954 8.1082 119.0301 58.7304 31.8104 178.4256 72 D 4.2188 7.7389 118.4191 57.6049 41.3559 177.4662 73 Y 4.3132 7.5802 116.9132 59.6005 38.2339 177.3947 74 L 3.9027 6.2583 119.8935 57.4795 41.8116 177.0389 75 R 4.0237 7.6162 121.9384 56.5588 29.9834 175.8083 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 3 T 8.17 4.33 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 1.18 0.00 0.00 4 S 8.39 4.17 0.00 3.96 3.82 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 5 T 8.46 3.98 4.37 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 1.17 0.00 0.00 6 L 7.88 3.80 0.00 1.76 1.69 0.99 0.94 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 7 Q 8.07 3.91 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 8 K 8.09 3.73 0.00 2.08 1.25 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.61 7.81 9 A 7.59 3.45 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.56 3.78 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.79 0.96 0.00 0.00 11 D 8.04 4.21 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.81 0.00 1.56 1.49 0.09 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.76 3.28 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 0.84 0.00 0.00 0.05 0.00 0.00 14 T 8.23 3.78 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 1.18 0.00 0.00 15 K 8.11 4.24 0.00 1.74 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 16 A 7.75 3.70 0.50 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 17 T 7.86 3.93 4.31 0.00 0.00 0.00 0.00 0.00 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 18 E 7.98 3.98 0.00 2.24 2.22 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 2.47 2.32 0.00 19 E 8.46 3.93 0.00 2.10 2.15 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 2.41 2.40 0.00 20 D 8.39 4.44 0.00 3.10 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 21 K 7.99 4.10 0.00 1.98 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.72 7.81 22 A 7.70 4.22 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 23 K 7.66 3.64 0.00 1.80 1.74 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.53 7.81 24 N 8.19 4.54 0.00 2.83 2.69 0.00 0.00 7.11 6.48 0.00 0.00 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 Y 6.54 4.42 0.00 3.15 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 26 E 8.17 3.97 0.00 2.00 2.01 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 2.43 2.33 0.00 27 E 8.14 3.90 0.00 2.05 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 2.34 2.40 0.00 28 A 8.75 3.91 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 4.17 0.00 1.89 1.96 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.08 3.99 0.00 2.10 2.02 0.00 3.20 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 31 L 8.03 3.99 0.00 1.59 1.72 0.82 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.35 4.10 0.00 3.30 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 33 Q 8.36 4.14 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.44 2.68 0.00 34 H 8.29 4.20 0.00 3.47 3.27 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.53 3.84 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 36 V 8.05 3.94 2.42 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 1.33 0.00 0.00 1.29 0.00 0.00 37 E 8.25 4.02 0.00 2.32 2.24 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 2.34 2.53 0.00 38 Y 8.40 3.81 0.00 3.00 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 39 F 8.41 4.30 0.00 3.45 3.17 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 40 L 8.54 4.17 0.00 1.92 1.83 1.02 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.56 4.32 0.00 3.21 3.26 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.27 4.10 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.65 3.98 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.81 1.02 0.00 0.00 44 K 7.90 4.09 0.00 2.01 1.70 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.47 1.73 7.81 45 Y 8.60 4.11 0.00 2.93 3.06 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 0.00 0.00 0.00 46 E 8.11 4.74 0.00 2.13 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 2.31 2.34 0.00 47 A 8.13 4.60 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 48 H 8.20 4.80 0.00 3.19 3.20 0.00 5.72 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 49 S 8.55 4.37 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.36 0.00 2.69 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 51 K 8.24 3.85 0.00 1.98 2.10 0.00 1.52 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 52 A 7.84 3.94 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 53 K 8.05 3.88 0.00 2.03 1.91 0.00 1.66 0.00 0.00 2.01 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.60 7.81 54 E 8.49 3.98 0.00 2.25 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 2.33 2.37 0.00 55 S 8.03 4.05 0.00 3.99 4.04 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 56 I 7.79 3.58 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.07 1.12 0.00 0.00 57 R 8.65 3.85 0.00 1.91 1.97 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 58 A 8.30 3.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.48 0.00 1.49 1.28 0.00 1.45 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.48 1.48 7.81 60 C 8.46 4.19 0.00 3.16 3.05 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 0.00 61 V 7.61 3.60 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 0.80 0.00 0.00 0.89 0.00 0.00 62 Q 7.51 3.82 0.00 1.75 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 63 Y 7.83 4.23 0.00 3.19 3.16 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 64 L 8.23 4.01 0.00 1.83 1.74 0.98 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.06 4.48 0.00 2.84 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 66 R 7.84 3.80 0.00 1.57 1.54 0.00 3.27 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 67 A 7.91 3.98 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 68 E 8.68 3.88 0.00 2.15 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 0.00 2.33 2.51 0.00 69 K 8.09 3.98 0.00 2.04 2.07 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.51 7.81 70 L 8.04 3.87 0.00 1.93 1.77 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.11 3.90 0.00 1.84 1.74 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 72 D 7.74 4.22 0.00 2.85 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 73 Y 7.58 4.31 0.00 3.13 3.09 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 74 L 6.26 3.90 0.00 1.40 1.61 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.62 4.02 0.00 1.78 1.95 0.00 3.27 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00