NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 5.1228 8.2616 121.1850 56.1179 34.4740 176.4713 3 L 4.1869 7.7679 119.3799 57.2075 42.5685 176.0287 4 S 4.3102 8.7357 110.6564 59.8359 62.8398 174.3314 5 E 4.2546 7.9622 120.5814 59.4863 29.8311 178.3927 6 V 3.6487 7.6124 118.4396 66.0588 31.7443 177.9535 7 R 3.9879 8.1177 115.3739 59.7230 28.4395 178.4383 8 K 4.1227 7.8141 116.9548 58.5850 31.9906 179.4758 9 Q 4.0108 8.3854 119.3002 58.8354 28.5804 178.3496 10 L 3.9408 8.0121 119.4385 58.1490 41.5862 179.3401 11 E 3.8603 7.8378 117.3663 59.6791 29.6419 179.5158 12 E 4.0461 8.0002 117.6925 59.1891 29.3860 178.8560 13 A 3.9715 7.5738 119.7027 55.7771 18.5624 179.3677 14 R 4.0584 8.3035 115.4207 57.8973 31.4505 177.3658 15 K 4.5814 7.8489 117.8727 54.7581 31.5457 175.7204 16 L 4.4426 7.3995 118.9623 53.9324 46.0203 172.4962 17 S 3.6850 7.7371 122.2952 57.7950 62.0435 169.5473 18 P 3.9556 0.0000 0.0000 65.8059 31.1492 178.0264 19 V 3.4955 7.5701 119.9264 65.7118 31.9414 177.1802 20 E 4.0667 9.1370 120.0214 57.8095 29.3587 178.5289 21 L 3.8571 7.6724 117.9547 58.1028 41.9968 179.2937 22 E 3.9081 7.9855 117.9529 59.9079 29.4654 179.6464 23 K 3.9052 8.2927 118.3410 59.4409 32.1905 178.8209 24 L 4.0872 8.0209 119.9818 58.5318 41.6786 179.3417 25 V 3.5657 8.1023 118.4032 65.6791 31.6080 177.8672 26 R 3.9798 8.2087 118.0583 59.5896 30.0380 178.6118 27 E 3.9577 8.6075 118.1657 59.6277 29.5452 179.8249 28 K 4.0554 8.0519 118.2115 59.2347 31.8686 179.5175 29 K 4.0926 8.7437 119.4279 58.8059 31.8700 179.3979 30 R 3.8907 7.9656 119.5863 59.2252 30.0020 178.3790 31 E 3.9062 8.0118 118.0486 59.3890 29.3058 178.8939 32 L 4.1196 7.7889 119.0369 58.3750 42.1941 178.6534 33 M 4.1996 7.8647 118.0906 59.1140 32.2911 177.3957 34 E 3.6543 8.3836 118.8088 59.8267 29.7563 178.8078 35 L 4.0281 8.8421 118.9700 58.1275 41.7823 180.2029 36 R 3.9557 8.4606 118.2450 59.1260 29.8486 178.6577 37 F 3.8879 8.4384 117.2741 60.0667 39.1728 177.2024 38 Q 4.1544 8.3499 116.9021 59.1744 28.1466 178.8464 39 A 3.9883 8.2763 122.0486 55.5941 18.0072 179.9269 40 S 4.1355 8.5860 113.0683 61.1111 62.9856 176.1188 41 I 3.9737 7.8080 115.5354 60.5201 37.9469 175.7207 42 G 4.0489 8.5101 104.9564 43.4451 0.0000 176.7415 43 Q 3.8283 8.6404 122.8891 57.3319 29.2853 175.1036 44 L 3.6876 8.5728 122.4601 52.9349 37.5065 172.4136 45 S 5.2444 6.9097 116.4363 58.3386 65.1661 178.7593 46 Q 4.3446 7.4965 124.6194 55.6011 29.3765 179.2551 47 N 3.3537 8.0738 114.5301 52.2157 41.0192 176.3658 48 H 3.8123 8.8241 120.9609 59.5024 28.9543 177.0376 49 K 3.4942 7.5106 120.9989 59.0170 31.7073 178.5472 50 I 4.0081 8.5077 120.6916 63.4477 37.6899 178.3350 51 R 3.9372 7.8541 116.3667 59.0457 29.0767 178.4506 52 D 4.3224 8.7984 120.3766 57.2674 40.8301 178.5487 53 L 3.9399 7.6130 120.2652 57.8555 42.1062 178.3302 54 K 3.7939 8.1683 119.8686 60.1478 32.0032 178.7816 55 R 4.0161 8.2934 117.4815 58.6831 29.8042 179.2252 56 Q 3.9800 7.6752 118.4577 58.8041 28.7235 178.0365 57 I 3.6489 8.1330 121.0080 65.1070 37.2204 177.5106 58 A 3.8668 8.3098 120.2891 55.5308 18.0703 179.5085 59 R 3.7921 8.6680 115.2126 59.2864 30.4934 178.9347 60 L 3.9196 8.1654 118.6176 58.0143 41.7666 179.3897 61 L 4.1679 8.2575 119.1479 58.1958 41.4845 180.1063 62 T 3.8805 8.0556 115.6498 66.6428 68.2692 176.9242 63 V 3.8305 7.3490 120.0532 65.2274 31.8562 177.3976 64 L 4.0552 8.4972 120.2678 58.2933 42.0182 178.3898 65 N 4.2812 8.1903 116.4454 56.5850 38.3122 177.0194 66 E 3.9886 8.2259 118.5474 59.5885 29.4871 179.3299 67 K 4.0343 7.9647 118.8427 58.8174 32.9658 178.2518 68 R 4.4683 7.5033 117.7938 55.0522 28.6486 177.8702 69 R 4.5856 6.9009 110.0446 56.5980 32.7825 175.2969 70 Q 4.5200 7.7682 124.3467 57.4282 31.4603 175.1275 71 N 4.6742 7.9589 112.0788 52.9361 38.6801 175.2189 72 A 4.1297 7.5695 126.4443 52.7897 19.5729 176.3661 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 2 K 8.26 5.12 0.00 1.72 1.90 0.00 1.81 0.00 0.00 2.48 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.47 7.81 3 L 7.77 4.19 0.00 1.83 1.62 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.74 4.31 0.00 3.90 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 5 E 7.96 4.25 0.00 2.20 1.97 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 2.36 2.42 0.00 6 V 7.61 3.65 2.20 0.00 0.00 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 0.98 0.00 0.00 7 R 8.12 3.99 0.00 2.07 2.20 0.00 3.01 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 8 K 7.81 4.12 0.00 2.12 1.89 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.47 7.81 9 Q 8.39 4.01 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 10 L 8.01 3.94 0.00 1.83 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.84 3.86 0.00 2.14 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 2.36 2.65 0.00 12 E 8.00 4.05 0.00 2.19 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 2.33 2.47 0.00 13 A 7.57 3.97 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 14 R 8.30 4.06 0.00 1.92 2.05 0.00 3.28 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 15 K 7.85 4.58 0.00 1.81 1.80 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.40 7.81 16 L 7.40 4.44 0.00 1.86 1.66 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.74 3.68 0.00 4.02 3.85 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 18 P 0.00 3.96 0.00 2.31 2.20 0.00 3.79 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 2.07 2.08 0.00 19 V 7.57 3.50 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 0.85 0.00 0.00 0.93 0.00 0.00 20 E 9.14 4.07 0.00 2.17 1.94 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 2.36 2.39 0.00 21 L 7.67 3.86 0.00 1.84 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.99 3.91 0.00 1.97 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 0.00 2.34 2.64 0.00 23 K 8.29 3.91 0.00 2.06 1.83 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 24 L 8.02 4.09 0.00 1.74 1.91 0.92 0.83 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 25 V 8.10 3.57 2.27 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 0.98 0.00 0.00 0.96 0.00 0.00 26 R 8.21 3.98 0.00 2.05 2.00 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 27 E 8.61 3.96 0.00 1.95 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 2.32 2.55 0.00 28 K 8.05 4.06 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.58 7.81 29 K 8.74 4.09 0.00 1.88 1.85 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.58 7.81 30 R 7.97 3.89 0.00 1.86 2.19 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 E 8.01 3.91 0.00 2.21 1.97 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 2.31 2.45 0.00 32 L 7.79 4.12 0.00 1.77 1.73 0.96 0.86 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 33 M 7.86 4.20 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.52 0.00 34 E 8.38 3.65 0.00 2.25 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 2.29 2.42 0.00 35 L 8.84 4.03 0.00 1.87 1.75 0.94 0.96 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 36 R 8.46 3.96 0.00 2.13 2.03 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 37 F 8.44 3.89 0.00 3.15 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.35 4.15 0.00 2.30 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 39 A 8.28 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 4.14 0.00 3.92 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 0.00 41 I 7.81 3.97 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.67 1.00 0.00 0.00 42 G 8.51 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 0.00 0.00 0.00 0.00 43 Q 8.64 3.83 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.04 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 44 L 8.57 3.69 0.00 1.84 1.91 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 S 6.91 5.24 0.00 4.01 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 Q 7.50 4.34 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.16 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 47 N 8.07 3.35 0.00 2.86 2.95 0.00 0.00 6.70 8.16 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 48 H 8.82 3.81 0.00 3.44 3.57 0.00 5.50 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 49 K 7.51 3.49 0.00 1.93 1.88 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.62 7.81 50 I 8.51 4.01 1.96 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 1.57 0.65 0.92 0.00 0.00 51 R 7.85 3.94 0.00 2.04 2.20 0.00 2.99 0.00 0.00 3.35 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 52 D 8.80 4.32 0.00 2.86 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 53 L 7.61 3.94 0.00 1.88 1.65 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.17 3.79 0.00 2.19 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 55 R 8.29 4.02 0.00 1.95 1.97 0.00 3.18 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 56 Q 7.68 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 57 I 8.13 3.65 2.04 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 1.73 0.96 0.91 0.00 0.00 58 A 8.31 3.87 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 59 R 8.67 3.79 0.00 2.16 1.96 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 60 L 8.17 3.92 0.00 1.84 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.26 4.17 0.00 1.89 1.74 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.06 3.88 4.39 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 1.21 0.00 0.00 63 V 7.35 3.83 2.14 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 1.04 0.00 0.00 0.98 0.00 0.00 64 L 8.50 4.06 0.00 1.86 1.73 0.92 0.62 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 65 N 8.19 4.28 0.00 3.11 2.88 0.00 0.00 6.88 6.95 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 66 E 8.23 3.99 0.00 2.20 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 2.50 2.39 0.00 67 K 7.96 4.03 0.00 2.09 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.63 7.81 68 R 7.50 4.47 0.00 1.94 1.91 0.00 3.36 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 69 R 6.90 4.59 0.00 1.75 1.86 0.00 3.26 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 70 Q 7.77 4.52 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.06 0.00 0.00 0.00 0.00 0.00 2.33 2.22 0.00 71 N 7.96 4.67 0.00 2.79 2.89 0.00 0.00 6.91 7.23 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 72 A 7.57 4.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00