NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5121 8.3293 115.5919 57.2283 31.3088 172.9018 9 F 4.6856 6.9988 112.6109 55.4400 40.0166 172.1507 10 A 4.1420 8.6143 125.8220 52.8841 19.8450 179.3308 11 T 4.6747 8.3459 111.3057 61.7604 69.3603 176.7191 12 L 4.0670 7.9014 124.1542 58.2378 41.6898 179.3768 13 G 3.6109 8.1329 104.9715 47.7810 0.0000 175.3898 14 A 4.1082 8.0553 122.7941 55.0699 18.2005 179.6713 15 T 3.7923 7.6350 113.3189 66.9125 68.9191 176.4609 16 L 3.8916 7.6031 120.5664 57.7898 41.4441 179.5991 17 Q 4.3450 8.1059 117.9284 59.2680 28.5322 178.4704 18 D 4.5931 8.0548 117.6501 56.1102 41.1735 177.7356 19 S 4.6065 7.8763 115.0403 57.2998 63.2874 173.9412 20 I 4.0665 7.0206 123.7973 62.9507 37.1477 176.5960 21 G 3.9772 9.6037 114.4934 44.9875 0.0000 173.2494 22 K 4.5839 7.9845 119.5441 54.7847 34.9741 175.4917 23 Q 4.6761 8.4360 123.1432 56.1634 30.4659 175.0391 24 V 4.9711 8.9505 118.4283 59.5698 36.6428 173.8788 25 L 5.0638 8.9203 125.2204 53.5126 44.2516 175.2126 26 V 4.7772 9.2546 126.2625 61.0127 34.5304 174.1068 27 K 4.8628 7.8352 126.3541 54.5297 34.6096 175.2357 28 L 5.1826 8.6136 123.0191 52.3025 45.1888 176.0353 29 R 3.8381 8.5594 118.9053 57.0757 31.3525 176.9219 30 D 4.2414 9.1869 117.4559 55.6109 38.1887 174.0710 31 S 3.7761 7.3239 108.6410 60.0691 60.7859 171.2319 32 H 4.7235 7.6648 115.9188 54.7866 30.7270 174.5327 33 E 4.9944 8.6278 121.9666 54.6489 32.7694 174.0783 34 I 5.1671 9.0865 127.4706 59.5987 41.4951 174.7065 35 R 5.0901 8.5927 123.8424 54.5090 34.0114 174.8155 36 G 4.2682 8.1923 107.9929 45.9198 0.0000 172.0767 37 I 4.6708 8.1787 121.8187 60.1929 38.5524 175.5828 38 L 4.3501 8.9202 130.4830 55.5163 42.2025 177.1610 39 R 4.5369 8.8442 125.7537 57.3023 32.3434 176.1286 40 S 4.7149 7.8280 111.1357 57.8047 65.7934 173.3123 41 F 5.6390 7.9915 116.9855 57.2839 40.5196 172.0134 42 D 4.9799 8.4802 118.4688 50.9933 42.2709 176.3736 43 Q 4.1318 8.6127 116.0550 59.0586 28.7706 176.6610 44 H 4.6247 8.7106 115.7664 55.2542 28.5765 175.9860 45 V 3.3293 8.1192 118.2732 63.6281 30.6336 171.3197 46 N 4.9307 8.1786 115.1548 53.1088 39.7663 173.9706 47 L 5.2829 9.2072 121.5414 52.9078 46.5635 175.2057 48 L 5.1058 9.0285 124.1454 53.5335 44.2367 175.1807 49 L 5.3528 9.1986 126.4608 53.0873 45.1485 175.4497 50 E 4.9990 8.7487 119.9376 54.7314 33.8190 175.3830 51 D 4.4741 8.6946 117.9672 55.3735 38.8331 174.0286 52 A 4.8520 8.2877 119.4963 51.8281 20.5406 177.3643 53 E 5.1497 9.1860 116.5591 55.1243 33.5604 173.9664 54 E 5.0271 9.3251 121.4287 55.2002 32.1131 175.2350 55 I 4.7637 8.6163 124.5601 59.8384 39.2765 175.8332 56 I 4.3421 8.5151 129.0154 59.9962 38.7249 175.6848 57 D 4.4755 9.7795 127.7169 55.2292 38.1526 175.4269 58 G 3.9943 8.4916 107.5619 45.3211 0.0000 174.1198 59 N 4.5443 7.8492 117.1530 52.7316 40.2781 174.5415 60 V 4.5966 7.6902 120.2849 61.4451 34.3220 174.1063 61 Y 4.7289 8.7773 126.3875 55.9668 40.2374 175.4132 62 K 4.4481 8.8548 124.6846 56.5990 32.3133 177.1255 63 R 4.4184 9.6171 123.5335 54.5667 33.1691 177.3837 64 G 3.9879 8.5080 105.8263 45.3549 0.0000 175.9471 65 T 4.7009 8.5887 119.4292 63.0918 69.3459 172.5887 66 M 4.7372 9.2635 125.7950 53.9382 36.0701 173.5478 67 V 4.6862 8.5112 126.0002 61.5229 33.1479 174.6973 68 V 4.4129 8.7678 128.7268 60.9548 33.9087 174.9919 69 R 4.6087 8.6041 127.3458 55.6808 30.8081 177.8060 70 G 3.9784 9.5190 112.5598 47.2301 0.0000 175.0391 71 E 3.8339 8.2986 119.7799 58.7603 29.6871 177.0082 72 N 4.7620 7.8866 113.9664 52.6621 39.2223 174.7172 73 V 3.9439 7.7344 119.9899 62.9562 32.2561 175.3584 74 L 4.5288 8.7838 128.3485 56.5810 42.4510 176.6607 75 F 5.0446 7.1895 111.3108 55.9218 41.4351 172.4874 76 I 5.1752 8.5185 119.5281 59.7301 40.5709 174.9906 77 S 4.6455 9.4256 121.8101 55.4248 65.0251 171.2387 78 P 4.7266 0.0000 0.0000 63.0562 31.6624 176.1918 79 V 3.8164 8.6878 124.4810 61.7595 32.1669 174.2254 80 P 4.4248 0.0000 0.0000 63.0458 31.1670 176.0608 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 C 8.33 4.51 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 9 F 7.00 4.69 0.00 3.19 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 10 A 8.61 4.14 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 11 T 8.35 4.67 4.28 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 1.15 0.00 0.00 12 L 7.90 4.07 0.00 1.77 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.13 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 0.00 0.00 0.00 14 A 8.06 4.11 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 15 T 7.64 3.79 4.34 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 1.18 0.00 0.00 16 L 7.60 3.89 0.00 0.99 0.44 0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.11 4.35 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.90 0.00 18 D 8.05 4.59 0.00 2.83 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 19 S 7.88 4.61 0.00 3.96 3.88 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 20 I 7.02 4.07 2.02 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 0.96 0.00 0.00 21 G 9.60 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.98 4.58 0.00 1.84 1.73 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 23 Q 8.44 4.68 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 24 V 8.95 4.97 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 0.85 0.00 0.00 1.04 0.00 0.00 25 L 8.92 5.06 0.00 1.80 1.78 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.25 4.78 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 0.94 0.00 0.00 27 K 7.84 4.86 0.00 0.79 1.22 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.09 7.81 28 L 8.61 5.18 0.00 1.52 1.60 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.56 3.84 0.00 1.73 1.86 0.00 3.42 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 30 D 9.19 4.24 0.00 2.94 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 31 S 7.32 3.78 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 7.66 4.72 0.00 3.08 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.63 4.99 0.00 1.97 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 2.27 2.31 0.00 34 I 9.09 5.17 1.86 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 1.25 0.81 0.92 0.00 0.00 35 R 8.59 5.09 0.00 1.74 1.78 0.00 3.19 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.19 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.18 4.67 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.58 0.95 0.00 0.00 38 L 8.92 4.35 0.00 1.82 1.77 1.07 0.69 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 39 R 8.84 4.54 0.00 1.82 1.96 0.00 3.44 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 40 S 7.83 4.71 0.00 3.83 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 5.64 0.00 3.16 3.01 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 0.00 0.00 0.00 42 D 8.48 4.98 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 43 Q 8.61 4.13 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.25 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 44 H 8.71 4.62 0.00 3.37 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.12 3.33 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 0.93 0.00 0.00 0.96 0.00 0.00 46 N 8.18 4.93 0.00 3.04 2.76 0.00 0.00 6.79 6.74 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 47 L 9.21 5.28 0.00 1.54 1.56 0.94 0.39 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 48 L 9.03 5.11 0.00 1.73 1.62 0.98 0.63 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 49 L 9.20 5.35 0.00 1.57 1.54 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.75 5.00 0.00 1.89 1.80 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 2.22 2.26 0.00 51 D 8.69 4.47 0.00 2.80 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 52 A 8.29 4.85 1.26 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 0.00 0.00 53 E 9.19 5.15 0.00 2.08 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 2.38 2.31 0.00 54 E 9.33 5.03 0.00 2.13 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 2.31 2.34 0.00 55 I 8.62 4.76 1.89 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 1.23 0.48 0.91 0.00 0.00 56 I 8.52 4.34 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.98 0.00 0.00 57 D 9.78 4.48 0.00 2.83 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 58 G 8.49 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 0.00 0.00 0.00 59 N 7.85 4.54 0.00 2.57 1.99 0.00 0.00 6.21 7.19 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 60 V 7.69 4.60 1.96 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 0.78 0.00 0.00 0.86 0.00 0.00 61 Y 8.78 4.73 0.00 3.01 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 62 K 8.85 4.45 0.00 1.68 1.77 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 63 R 9.62 4.42 0.00 1.64 1.95 0.00 3.34 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 64 G 8.51 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 0.00 0.00 0.00 65 T 8.59 4.70 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 1.26 0.00 0.00 66 M 9.26 4.74 0.00 2.01 1.84 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 2.48 2.47 0.00 67 V 8.51 4.69 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 0.82 0.00 0.00 0.94 0.00 0.00 68 V 8.77 4.41 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 0.93 0.00 0.00 0.93 0.00 0.00 69 R 8.60 4.61 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 70 G 9.52 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.30 3.83 0.00 1.93 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 2.29 2.36 0.00 72 N 7.89 4.76 0.00 2.78 2.78 0.00 0.00 6.55 7.58 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 73 V 7.73 3.94 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 0.76 0.00 0.00 0.92 0.00 0.00 74 L 8.78 4.53 0.00 1.37 1.67 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.19 5.04 0.00 3.03 3.13 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 76 I 8.52 5.18 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.92 0.00 0.00 77 S 9.43 4.65 0.00 3.75 3.78 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 78 P 0.00 4.73 0.00 2.11 2.05 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 79 V 8.69 3.82 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 0.77 0.00 0.00 1.06 0.00 0.00 80 P 0.00 4.42 0.00 2.07 1.95 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00