NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2804 8.4444 121.4696 54.5450 31.4847 175.7415 10 E 4.2025 8.2316 119.4597 56.0502 32.0175 172.8137 11 E 4.8177 8.0302 115.4472 54.6398 33.3911 175.3447 12 E 5.9800 8.2133 135.0000 57.2939 29.0725 177.2208 13 L 4.5519 7.3803 118.3999 52.6113 43.6020 176.8618 14 V 3.8082 8.2367 124.3461 62.0459 30.2836 174.8495 15 D 4.4835 8.3163 127.0237 53.3816 41.9374 175.3379 16 P 4.2006 0.0000 0.0000 65.0831 31.3635 178.4454 17 L 3.8590 7.8215 118.9933 58.7523 41.8500 179.1564 18 T 3.7634 7.8151 114.7081 66.3477 68.2644 176.9070 19 T 3.8661 7.8375 117.6475 66.5773 68.8001 176.1955 20 V 3.8197 8.0870 119.9626 65.7070 31.6775 177.9205 21 R 3.9193 8.4937 118.4532 60.4261 29.9243 177.7055 22 E 4.0843 8.1308 117.6509 59.3296 28.9878 178.6924 23 Q 4.1448 8.1000 120.1557 59.6384 29.0173 179.9145 24 C 4.2743 8.0063 118.8014 59.6057 43.9562 174.8128 25 E 3.9006 8.9372 120.9769 59.6136 29.2213 177.8818 26 Q 3.9535 9.1836 117.8816 56.0786 29.0456 176.1234 27 L 3.4205 7.6730 116.8527 53.7556 42.2861 179.8803 28 E 3.1715 7.4187 120.1005 56.4155 33.2440 178.3049 29 K 3.9136 8.1267 115.7945 60.1668 32.5919 179.0615 30 C 4.3424 8.3276 116.5881 62.5466 27.9433 176.2360 31 V 3.6117 7.6662 119.7235 66.2059 31.1350 178.3646 32 K 4.0486 8.0620 117.3355 59.3894 31.8861 179.1854 33 A 4.1904 8.1727 121.2123 55.0774 18.2158 179.6639 34 R 3.6645 8.8241 117.7516 58.9874 29.9937 178.3289 35 E 4.0239 8.4283 119.7500 59.5298 29.7919 179.1655 36 R 3.9105 8.4850 118.1949 58.8788 29.9978 178.7218 37 L 3.9260 7.5647 120.8279 58.1435 42.1607 178.6582 38 E 4.5719 8.4148 120.0057 58.8140 28.9378 179.1859 39 L 3.9123 8.0919 119.1630 58.3096 41.7600 179.2668 40 C 4.1216 8.2013 118.1344 62.7604 31.5904 174.6322 41 D 4.3138 8.5902 120.0822 58.3028 40.4357 178.9403 42 E 4.0760 8.4014 119.7324 58.8411 29.3403 179.9819 43 R 3.8599 7.3292 116.4864 59.4124 30.2944 178.9324 44 V 3.7248 7.3596 115.9951 66.1561 31.8149 177.9301 45 S 4.3282 7.9320 114.5231 61.2700 62.3111 175.6546 46 S 4.6254 7.6070 116.0178 58.7576 63.1319 173.7291 47 R 4.5525 7.5830 120.7322 55.8548 33.6760 172.9194 48 S 4.4356 8.1025 109.2894 60.3779 64.3426 174.9908 49 Q 4.5018 7.9814 118.5442 56.4893 28.7215 175.9015 50 T 4.3549 7.3346 110.3571 60.9883 68.1131 173.9918 51 E 4.5546 8.3620 123.7887 55.3253 30.9613 176.0402 52 E 4.1872 7.9122 119.1330 57.2352 27.7630 175.7326 53 D 4.6024 8.4604 122.0465 53.7668 40.2168 176.5998 54 C 4.8982 7.9705 116.0568 59.4852 31.1872 175.0482 55 T 3.8365 7.7017 115.8013 66.5465 68.0638 175.7230 56 E 3.9450 8.2918 120.6213 59.7875 29.3737 178.7559 57 E 4.0592 7.7593 118.6636 58.9330 29.4557 178.9630 58 L 4.0110 7.8019 120.1264 58.2171 42.1676 178.8108 59 L 4.0253 8.0168 118.2063 58.2831 41.5948 179.1774 60 D 4.4514 8.0022 117.9679 57.3797 40.7028 178.8544 61 F 4.1743 8.1408 121.1296 61.1005 39.1896 177.1312 62 L 3.6230 8.0049 118.5745 58.1125 41.3864 178.4346 63 H 3.9329 8.5612 118.0011 59.6778 29.6631 176.5530 64 A 4.1405 7.8889 121.4643 55.3195 18.2768 179.4588 65 R 3.6130 7.5452 116.8279 59.7359 29.9396 178.2184 66 D 4.3198 9.4465 117.3658 57.7842 41.1166 178.2563 67 H 4.1623 8.9992 119.6936 59.5776 29.5869 176.5443 68 C 4.2487 8.1145 119.5826 59.2812 41.6152 175.8822 69 V 3.4884 7.8115 120.0644 65.7882 30.8612 177.7877 70 A 4.0500 7.7294 119.6281 55.5528 18.3449 178.8775 71 H 4.1669 8.1267 115.0595 58.7017 30.0443 176.7132 72 K 4.3117 7.5169 118.7446 56.5590 33.0073 177.9124 73 L 3.7668 9.5552 117.8847 58.1125 39.7580 179.7794 74 F 3.8962 8.5873 120.3300 60.2362 40.4591 177.6541 75 N 4.4801 8.5116 118.7719 56.5791 38.5403 176.4955 76 S 4.3201 8.1022 112.0101 60.8377 63.4287 175.0377 77 L 3.8096 6.8110 118.4083 55.2773 41.8986 177.2924 78 K 4.1730 8.5736 122.5213 56.5074 32.2822 175.5152 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 9 E 8.44 4.28 0.00 1.94 1.83 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 2.19 2.30 0.00 10 E 8.23 4.20 0.00 2.02 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 0.00 2.19 2.36 0.00 11 E 8.03 4.82 0.00 1.91 1.76 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 2.04 2.16 0.00 12 E 8.21 5.98 0.00 2.09 2.03 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 2.08 2.00 0.00 13 L 7.38 4.55 0.00 1.58 1.55 0.91 0.87 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 14 V 8.24 3.81 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 0.78 0.00 0.00 0.92 0.00 0.00 15 D 8.32 4.48 0.00 2.79 2.56 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 0.00 16 P 0.00 4.20 0.00 2.07 2.04 0.00 3.56 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 2.05 2.10 0.00 17 L 7.82 3.86 0.00 1.68 1.63 0.86 0.82 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 18 T 7.82 3.76 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 1.21 0.00 0.00 19 T 7.84 3.87 4.44 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 1.20 0.00 0.00 20 V 8.09 3.82 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 1.02 0.00 0.00 0.96 0.00 0.00 21 R 8.49 3.92 0.00 1.96 2.02 0.00 3.18 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 1.65 1.77 0.00 22 E 8.13 4.08 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 23 Q 8.10 4.14 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 24 C 8.01 4.27 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 25 E 8.94 3.90 0.00 2.07 2.32 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 2.52 2.99 0.00 26 Q 9.18 3.95 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.18 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 27 L 7.67 3.42 0.00 1.79 1.55 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.42 3.17 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 29 K 8.13 3.91 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.57 7.81 30 C 8.33 4.34 0.00 3.42 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 31 V 7.67 3.61 2.29 0.00 0.00 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 0.00 0.00 1.09 0.00 0.00 32 K 8.06 4.05 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 A 8.17 4.19 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 34 R 8.82 3.66 0.00 1.56 2.09 0.00 2.29 0.00 0.00 2.88 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.33 0.00 35 E 8.43 4.02 0.00 2.22 2.12 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 0.00 2.30 2.34 0.00 36 R 8.48 3.91 0.00 1.86 1.98 0.00 3.20 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 37 L 7.56 3.93 0.00 1.89 1.74 0.63 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.41 4.57 0.00 1.99 1.95 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 2.26 2.27 0.00 39 L 8.09 3.91 0.00 1.91 1.72 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.20 4.12 0.00 3.14 3.02 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 41 D 8.59 4.31 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.08 0.00 2.15 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 2.32 2.21 0.00 43 R 7.33 3.86 0.00 1.89 1.99 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 44 V 7.36 3.72 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 0.83 0.00 0.00 1.05 0.00 0.00 45 S 7.93 4.33 0.00 4.06 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 46 S 7.61 4.63 0.00 3.97 3.87 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 47 R 7.58 4.55 0.00 1.69 1.82 0.00 3.10 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 48 S 8.10 4.44 0.00 3.79 3.70 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 49 Q 7.98 4.50 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 50 T 7.33 4.35 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 51 E 8.36 4.55 0.00 1.90 1.86 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 2.17 2.26 0.00 52 E 7.91 4.19 0.00 2.04 1.85 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 2.38 2.33 0.00 53 D 8.46 4.60 0.00 2.75 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.90 0.00 3.11 2.92 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 55 T 7.70 3.84 4.25 0.00 0.00 0.00 0.00 0.00 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 56 E 8.29 3.94 0.00 2.04 1.98 0.00 0.00 0.00 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 2.44 0.00 57 E 7.76 4.06 0.00 2.31 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 2.51 2.37 0.00 58 L 7.80 4.01 0.00 1.81 1.85 0.95 0.70 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 59 L 8.02 4.03 0.00 1.87 1.74 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.00 4.45 0.00 2.85 2.75 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 61 F 8.14 4.17 0.00 3.15 3.36 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 62 L 8.00 3.62 0.00 1.94 1.85 0.98 0.86 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 63 H 8.56 3.93 0.00 3.13 3.41 0.00 5.60 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 64 A 7.89 4.14 1.36 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 65 R 7.55 3.61 0.00 1.20 1.64 0.00 3.09 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 66 D 9.45 4.32 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.00 4.16 0.00 3.03 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.11 4.25 0.00 3.01 3.21 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 0.00 69 V 7.81 3.49 2.21 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 0.91 0.00 0.00 0.93 0.00 0.00 70 A 7.73 4.05 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.17 0.00 3.07 3.29 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.52 4.31 0.00 1.84 1.84 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 73 L 9.56 3.77 0.00 1.59 1.52 0.67 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.59 3.90 0.00 3.21 2.99 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 75 N 8.51 4.48 0.00 2.78 2.93 0.00 0.00 7.03 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 76 S 8.10 4.32 0.00 3.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 6.81 3.81 0.00 1.96 1.68 0.51 0.72 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 78 K 8.57 4.17 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.40 7.81