NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2221 8.2544 119.7067 55.6170 32.0587 175.5373 9 V 3.9765 7.3998 119.3680 59.6558 33.1740 172.5668 10 N 4.1297 9.6516 127.0753 54.1500 39.8213 175.4282 11 V 3.8895 8.5721 118.8376 63.7595 31.7715 176.5977 12 Q 4.6053 8.8558 116.8675 55.6848 30.0855 176.1576 13 R 4.6634 8.2166 117.6272 52.6746 30.5884 173.8649 14 P 4.2399 0.0000 0.0000 65.6552 31.7993 177.8541 15 L 4.0575 7.9059 116.5694 57.1065 41.5657 178.7449 16 D 4.4900 8.4478 119.3057 56.7707 40.4058 178.2460 17 A 4.0858 7.7598 121.0857 55.0425 18.5724 179.3670 18 L 3.9335 7.7500 117.6698 57.6421 41.6831 179.7802 19 G 3.9156 7.8299 105.2076 48.0961 0.0000 175.2584 20 N 4.5267 8.5905 117.8685 55.1164 38.6227 176.5598 21 S 4.6600 7.6971 115.1863 56.9959 63.5230 173.7760 22 L 4.0429 7.2982 121.9118 56.5752 41.8186 176.5826 23 N 4.3308 9.5069 118.6561 54.2186 36.9016 174.0256 24 S 4.8636 7.6227 111.1103 55.6555 67.2269 171.2146 25 P 4.9539 0.0000 0.0000 62.9565 31.6059 176.2696 26 V 4.7485 9.0180 116.7195 59.7740 36.8500 174.1361 27 I 4.8036 8.8901 122.5534 59.7014 39.9975 175.0417 28 I 4.7245 9.0379 127.7075 59.4373 40.1231 174.3827 29 K 4.3436 8.6284 130.1190 55.0213 33.2343 176.0301 30 L 4.9829 8.3350 127.7774 52.8078 44.4134 176.3508 31 K 3.9666 9.0604 120.1013 56.1248 33.2063 177.2032 32 G 4.0168 9.1422 108.2657 47.9783 0.0000 172.5484 33 D 4.3569 7.6788 112.6543 55.1711 39.5608 173.5812 34 R 4.9369 7.2162 117.7160 55.2015 32.5176 174.6498 35 E 5.1122 8.9046 123.6032 54.9228 33.8067 173.7335 36 F 5.3360 9.3497 123.5058 55.7812 43.4234 174.3054 37 R 5.0392 8.7417 120.6970 55.0734 33.7977 174.8500 38 G 4.0947 8.3362 110.1338 45.7690 0.0000 171.5708 39 V 4.4865 8.1029 120.5195 61.7836 32.6710 175.3279 40 L 4.4319 8.7762 131.3529 55.4933 42.2727 177.1393 41 K 4.3527 9.0210 125.8353 57.4981 34.6441 176.1692 42 S 4.7432 7.6812 111.9962 57.7286 65.6770 173.4406 43 F 5.8750 8.0807 116.2854 57.4173 40.2292 172.4900 44 D 5.0156 8.3043 119.3129 51.1234 42.1898 176.1618 45 L 4.1403 8.3751 117.9177 58.8439 40.5156 177.4915 46 H 4.4615 8.2193 115.2883 56.3523 29.1192 176.1363 47 M 3.4219 8.1741 118.2141 55.6266 29.9413 176.4168 48 N 4.9833 8.4207 117.2506 53.5849 39.9572 174.1361 49 L 5.0693 8.8237 121.2680 54.8226 44.7473 174.1169 50 V 4.8927 8.7717 119.7963 61.1501 34.2724 174.3246 51 L 5.3446 8.8214 126.7059 53.0771 45.5052 175.1734 52 N 5.2258 8.9192 118.6893 51.4455 41.9265 173.8061 53 D 4.5054 8.3779 119.2367 55.3214 40.2542 173.0430 54 A 5.1205 8.1730 121.5412 50.6598 22.4083 177.1234 55 E 5.0090 9.2480 120.4848 54.6077 32.4785 174.6640 56 E 4.1130 9.0330 125.6137 54.4357 31.7099 174.5462 57 L 5.2010 8.8734 126.3858 52.9137 45.7793 175.2557 58 E 4.8446 9.0738 121.8830 55.0685 33.1811 175.9211 59 D 5.2376 9.0894 124.2805 54.4313 39.0781 175.0907 60 G 3.9639 8.4753 105.2241 45.4587 0.0000 173.7413 61 E 4.6605 7.8371 119.4030 53.9809 32.1605 175.4944 62 V 4.1385 8.2113 122.2923 63.3523 32.2302 175.6231 63 T 4.4229 8.6993 124.4944 65.3619 69.8516 174.6618 64 R 4.4111 7.1466 115.2232 55.8358 32.4289 173.1463 65 R 5.1296 8.6883 119.2252 54.4700 32.6682 174.4736 66 L 4.7210 9.3886 126.0156 52.7880 44.5510 177.3351 67 G 3.8591 9.0248 111.3850 49.6635 0.0000 173.2321 68 T 5.4113 7.6668 114.5189 61.8715 72.9049 174.0133 69 V 4.3915 8.7441 123.9060 60.2698 35.2332 173.0084 70 L 4.8555 8.4770 126.4660 53.6471 43.4586 175.1075 71 I 4.3659 8.5701 128.0833 59.4033 39.6218 175.5714 72 R 4.5230 8.5556 126.5224 55.6300 30.7582 177.6369 73 G 3.9565 9.4160 112.6681 47.9680 0.0000 174.9183 74 D 4.3160 8.1135 117.8911 56.6003 41.4139 176.3686 75 N 4.6810 8.1104 115.1030 53.6379 39.1784 174.7840 76 I 4.4104 7.5976 120.4461 61.0338 38.1018 175.2729 77 V 4.2836 8.7312 125.6271 64.4663 32.2439 175.1599 78 Y 5.0504 7.1463 116.1575 55.9497 41.5201 172.8971 79 I 5.2300 8.4468 119.8918 59.7448 41.0796 174.9663 80 S 4.7431 9.1802 120.6976 55.5454 65.9157 172.1572 81 P 4.4335 0.0000 0.0000 63.1279 31.0917 176.0220 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 8 R 8.25 4.22 0.00 1.82 2.05 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 9 V 7.40 3.98 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 10 N 9.65 4.13 0.00 2.76 2.73 0.00 0.00 7.11 7.71 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 11 V 8.57 3.89 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 0.76 0.00 0.00 0.93 0.00 0.00 12 Q 8.86 4.61 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 13 R 8.22 4.66 0.00 1.93 1.83 0.00 3.17 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 14 P 0.00 4.24 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 15 L 7.91 4.06 0.00 1.78 1.82 0.92 1.26 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 16 D 8.45 4.49 0.00 2.77 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 17 A 7.76 4.09 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 18 L 7.75 3.93 0.00 0.52 0.47 0.35 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.83 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 0.00 0.00 0.00 20 N 8.59 4.53 0.00 2.80 2.91 0.00 0.00 6.97 7.56 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 21 S 7.70 4.66 0.00 3.93 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 22 L 7.30 4.04 0.00 1.74 1.68 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.51 4.33 0.00 2.85 2.91 0.00 0.00 6.74 8.06 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 24 S 7.62 4.86 0.00 3.80 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 25 P 0.00 4.95 0.00 1.97 2.05 0.00 3.63 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 26 V 9.02 4.75 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 0.98 0.00 0.00 0.99 0.00 0.00 27 I 8.89 4.80 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 1.03 0.00 0.00 28 I 9.04 4.72 1.97 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 1.16 1.14 0.90 0.00 0.00 29 K 8.63 4.34 0.00 0.79 0.74 0.00 1.46 0.00 0.00 1.47 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.81 1.10 7.81 30 L 8.34 4.98 0.00 1.68 1.68 1.12 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.06 3.97 0.00 1.68 1.73 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 32 G 9.14 4.02 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 0.00 33 D 7.68 4.36 0.00 2.90 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 34 R 7.22 4.94 0.00 1.93 1.75 0.00 3.18 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 35 E 8.90 5.11 0.00 1.93 1.61 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 2.18 2.46 0.00 36 F 9.35 5.34 0.00 2.92 2.83 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 37 R 8.74 5.04 0.00 1.76 1.82 0.00 3.16 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 G 8.34 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 0.00 0.00 0.00 39 V 8.10 4.49 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 0.98 0.00 0.00 0.95 0.00 0.00 40 L 8.78 4.43 0.00 1.85 1.56 1.03 0.34 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 41 K 9.02 4.35 0.00 1.62 1.82 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.65 7.81 42 S 7.68 4.74 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.08 5.88 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.30 5.02 0.00 2.86 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 45 L 8.38 4.14 0.00 1.74 1.82 0.84 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 H 8.22 4.46 0.00 3.38 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.17 3.42 0.00 2.24 2.28 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 2.52 2.48 0.00 48 N 8.42 4.98 0.00 2.99 2.75 0.00 0.00 6.55 6.04 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 49 L 8.82 5.07 0.00 1.94 1.82 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.77 4.89 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 1.00 0.00 0.00 0.92 0.00 0.00 51 L 8.82 5.34 0.00 1.52 1.49 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.92 5.23 0.00 2.69 2.69 0.00 0.00 6.91 7.97 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 53 D 8.38 4.51 0.00 2.67 2.65 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 54 A 8.17 5.12 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 55 E 9.25 5.01 0.00 1.89 1.82 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 2.24 2.24 0.00 56 E 9.03 4.11 0.00 1.42 1.57 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 1.88 1.47 0.00 57 L 8.87 5.20 0.00 1.47 1.41 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.07 4.84 0.00 1.75 1.75 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 2.12 2.13 0.00 59 D 9.09 5.24 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.48 3.96 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 0.00 0.00 0.00 61 E 7.84 4.66 0.00 2.10 1.79 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 2.19 2.18 0.00 62 V 8.21 4.14 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 0.88 0.00 0.00 0.90 0.00 0.00 63 T 8.70 4.42 4.15 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 1.21 0.00 0.00 64 R 7.15 4.41 0.00 1.83 1.98 0.00 2.93 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 65 R 8.69 5.13 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 66 L 9.39 4.72 0.00 1.65 1.56 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.02 3.86 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 0.00 0.00 0.00 68 T 7.67 5.41 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 1.23 0.00 0.00 69 V 8.74 4.39 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 0.37 0.00 0.00 0.62 0.00 0.00 70 L 8.48 4.86 0.00 1.61 1.56 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.57 4.37 1.74 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.27 0.85 0.00 0.00 72 R 8.56 4.52 0.00 1.86 1.85 0.00 3.14 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 73 G 9.42 3.96 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 0.00 0.00 0.00 74 D 8.11 4.32 0.00 2.63 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.11 4.68 0.00 2.82 2.84 0.00 0.00 6.84 7.34 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 76 I 7.60 4.41 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.47 0.89 0.00 0.00 77 V 8.73 4.28 2.04 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 0.89 0.00 0.00 0.96 0.00 0.00 78 Y 7.15 5.05 0.00 2.99 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 79 I 8.45 5.23 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.96 0.00 0.00 80 S 9.18 4.74 0.00 3.90 3.76 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 81 P 0.00 4.43 0.00 2.22 2.01 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00