NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8107 0.0000 0.0000 62.5547 32.1095 173.6729 2 K 4.5826 7.6921 126.6321 54.6496 35.7378 173.5827 3 C 4.3604 8.9974 126.8685 56.9254 32.2497 172.0437 4 P 4.0283 0.0000 0.0000 65.0700 30.3135 177.3478 5 K 4.4096 7.4558 120.8396 57.6292 32.7521 176.8224 6 C 4.2961 7.9380 116.5463 58.1258 31.4481 172.8170 7 D 4.3572 7.8891 118.3485 55.2835 37.3394 171.3829 8 K 4.8847 7.4418 121.2309 54.8877 36.3503 174.8295 9 E 4.9125 8.7963 117.9340 54.9474 31.9556 176.0525 10 V 4.4811 8.1098 122.6116 61.2019 33.0050 175.1433 11 Y 4.4469 8.7917 129.2377 57.3789 39.5982 176.0721 12 F 3.9880 7.9868 123.1423 60.9608 39.1860 177.2434 13 A 4.4215 8.4801 120.7570 53.7364 18.6717 177.4381 14 E 4.6568 8.6717 115.8887 55.9247 29.8531 175.5989 15 R 5.1609 7.9498 116.0297 55.4571 31.4698 176.1186 16 V 4.6762 8.7552 112.3451 60.3775 36.6209 173.9501 17 T 5.0325 8.0731 119.2421 62.0195 71.1698 174.0244 18 S 4.5429 9.5157 115.6154 59.0230 66.1725 176.2495 19 L 3.6431 9.6589 126.9760 56.0184 38.8438 174.9835 20 G 3.9907 8.6188 102.8287 46.0394 0.0000 173.7697 21 K 4.5618 7.7350 119.2029 54.4427 36.4734 175.6250 22 D 5.1976 8.2147 124.4600 53.9051 43.6437 174.3840 23 W 5.1659 8.9650 118.1134 56.5918 34.3489 173.5473 24 H 5.3828 8.7457 116.7108 54.6902 28.5383 176.8781 25 R 3.9105 8.7793 123.0820 58.9493 30.2372 177.1839 26 P 4.5468 0.0000 0.0000 65.9192 31.6488 177.3201 27 C 4.2462 7.8623 115.6577 62.6606 28.3101 174.7101 28 L 4.1420 7.1139 123.3080 55.0204 39.4264 175.3818 29 K 4.9929 7.6533 120.5972 54.2442 36.5847 175.9063 30 C 4.0091 8.6992 123.1464 59.3631 32.4631 173.3009 31 E 4.3140 7.1772 126.8754 56.0291 29.2710 175.5704 32 K 4.4975 8.2842 116.0133 57.2091 34.0146 176.5508 33 C 4.4998 8.1398 110.9520 57.3207 31.0434 173.5716 34 G 3.7097 7.8883 107.9509 46.3716 0.0000 172.9721 35 K 4.4607 7.8318 120.5787 54.6001 33.9895 175.6996 36 T 4.2494 8.5815 124.3336 64.0792 68.9810 173.8969 37 L 4.6090 8.3577 125.7730 53.8398 44.2225 175.2946 38 T 4.5984 7.9323 115.5964 61.3502 72.0212 174.0044 39 S 4.2031 8.4535 118.4556 59.8617 61.4246 174.3775 40 G 3.7442 8.6379 117.0323 46.3082 0.0000 172.0889 41 G 4.1312 8.3416 102.0845 45.1347 0.0000 170.7870 42 H 5.6306 7.5541 115.8344 55.2049 31.5712 172.8593 43 A 4.4176 8.8114 117.2178 51.7341 23.1125 175.3455 44 E 5.0639 9.0527 117.7620 55.0187 31.5793 175.3456 45 H 4.4259 9.3852 124.3798 53.8623 31.5581 173.7779 46 E 4.2065 7.0584 122.4942 57.3929 27.7473 177.0782 47 G 3.6878 9.0188 116.4118 45.3287 0.0000 172.7867 48 K 4.3959 8.3573 114.3288 55.1061 35.9750 173.4840 49 P 4.9921 0.0000 0.0000 63.5653 33.1285 174.0295 50 Y 4.8859 8.4498 116.1545 57.4001 43.4289 173.5660 51 C 4.4470 8.7517 117.6790 60.5891 28.6697 175.2221 52 N 4.3237 8.6929 120.6387 56.6992 38.7262 174.6013 53 H 4.9358 7.9141 112.6690 52.7746 33.1938 172.1705 54 P 4.5012 0.0000 0.0000 65.8804 30.9096 178.1621 55 C 4.0069 8.1084 116.8601 62.9396 28.1552 175.0523 56 Y 3.8757 7.9832 120.9226 60.8472 38.2669 178.1261 57 S 4.2974 8.0004 111.1756 60.2003 62.5932 175.0610 58 A 4.1695 7.5059 122.5988 54.6780 19.2105 178.5088 59 M 3.9518 7.2567 114.6732 55.5762 33.6525 176.7604 60 F 4.6228 7.4615 117.5825 53.1366 38.9663 174.2328 61 G 4.3767 7.6358 116.2301 44.0215 0.0000 168.5610 62 P 4.3335 0.0000 0.0000 62.6377 31.7286 175.4819 63 K 4.7736 8.1514 118.3071 55.4518 36.7118 176.7520 64 G 4.2896 8.0340 113.6427 45.2659 0.0000 174.6376 65 F 4.4051 8.6358 126.5703 57.4052 39.8206 175.1433 66 G 5.0907 7.2523 125.7837 46.8083 0.0000 172.2211 67 R 4.6568 7.7462 111.0888 55.2800 30.4713 176.8685 68 G 3.6981 8.0597 106.7378 46.2485 0.0000 174.2820 69 G 3.8106 8.3939 109.7565 45.3475 0.0000 173.0246 70 A 4.4498 8.2701 120.7752 53.8480 20.0329 176.7115 71 E 4.8218 7.9794 113.2924 57.0878 36.1374 175.7283 72 S 4.6709 7.9297 115.9640 56.0947 64.1218 173.9258 73 H 4.4987 8.6852 121.0079 56.0401 29.3436 174.0100 74 T 4.2699 7.5319 111.7282 61.8646 69.4879 173.3228 75 F 4.2024 8.8363 121.3516 58.1238 37.1089 175.8859 76 K 4.2601 7.9484 123.7362 56.3254 32.5807 176.9565 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 1 P 0.00 4.81 0.00 2.19 2.21 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 2 K 7.69 4.58 0.00 1.66 1.54 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.63 7.81 3 C 9.00 4.36 0.00 2.79 2.82 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 4 P 0.00 4.03 0.00 1.74 1.83 0.00 2.21 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.91 0.00 5 K 7.46 4.41 0.00 2.18 1.94 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.62 7.81 6 C 7.94 4.30 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 7 D 7.89 4.36 0.00 2.89 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 8 K 7.44 4.88 0.00 1.87 1.78 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 9 E 8.80 4.91 0.00 1.94 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 2.24 2.31 0.00 10 V 8.11 4.48 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 0.64 0.00 0.00 11 Y 8.79 4.45 0.00 3.12 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 F 7.99 3.99 0.00 2.76 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 13 A 8.48 4.42 1.50 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 14 E 8.67 4.66 0.00 2.54 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 0.00 2.27 2.30 0.00 15 R 7.95 5.16 0.00 1.80 2.15 0.00 3.08 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 16 V 8.76 4.68 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 0.64 0.00 0.00 0.88 0.00 0.00 17 T 8.07 5.03 4.30 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 1.29 0.00 0.00 18 S 9.52 4.54 0.00 3.95 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 19 L 9.66 3.64 0.00 2.02 1.81 0.97 1.12 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 20 G 8.62 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 21 K 7.73 4.56 0.00 1.70 1.23 0.00 1.39 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.04 1.20 7.81 22 D 8.21 5.20 0.00 2.54 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 23 W 8.97 5.17 0.00 3.02 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 24 H 8.75 5.38 0.00 3.23 3.28 0.00 5.82 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 25 R 8.78 3.91 0.00 1.94 1.95 0.00 3.14 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 26 P 0.00 4.55 0.00 2.23 2.17 0.00 3.82 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 2.02 2.00 0.00 27 C 7.86 4.25 0.00 3.32 3.15 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 0.00 28 L 7.11 4.14 0.00 1.47 1.32 -0.57 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.65 4.99 0.00 1.66 1.63 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.29 7.81 30 C 8.70 4.01 0.00 3.08 2.96 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 31 E 7.18 4.31 0.00 1.51 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 2.35 2.23 0.00 32 K 8.28 4.50 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.29 7.81 33 C 8.14 4.50 0.00 3.13 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 34 G 7.89 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.83 4.46 0.00 1.91 1.69 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.51 7.81 36 T 8.58 4.25 4.22 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 1.18 0.00 0.00 37 L 8.36 4.61 0.00 1.46 1.49 0.81 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.93 4.60 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 1.20 0.00 0.00 39 S 8.45 4.20 0.00 3.86 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 40 G 8.64 3.74 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 0.00 0.00 0.00 41 G 8.34 4.13 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 0.00 0.00 0.00 42 H 7.55 5.63 0.00 3.26 3.23 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.81 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.05 5.06 0.00 2.21 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 0.00 2.33 2.47 0.00 45 H 9.39 4.43 0.00 2.20 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 7.06 4.21 0.00 1.62 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 47 G 9.02 3.69 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 0.00 0.00 0.00 48 K 8.36 4.40 0.00 1.60 1.94 0.00 1.66 0.00 0.00 2.20 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.56 7.81 49 P 0.00 4.99 0.00 1.86 1.81 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.34 0.00 50 Y 8.45 4.89 0.00 3.15 2.90 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 51 C 8.75 4.45 0.00 3.00 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 52 N 8.69 4.32 0.00 2.89 2.89 0.00 0.00 6.57 7.91 0.00 0.00 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 H 7.91 4.94 0.00 3.06 3.22 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.50 0.00 2.12 2.38 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 55 C 8.11 4.01 0.00 3.09 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 56 Y 7.98 3.88 0.00 3.24 3.12 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 0.00 0.00 0.00 57 S 8.00 4.30 0.00 3.56 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 58 A 7.51 4.17 1.12 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 0.00 0.00 0.00 0.00 0.00 59 M 7.26 3.95 0.00 1.13 1.38 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 60 F 7.46 4.62 0.00 2.35 2.57 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 0.00 0.00 0.00 61 G 7.64 4.38 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 0.00 62 P 0.00 4.33 0.00 2.20 2.08 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 63 K 8.15 4.77 0.00 1.81 1.78 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.25 1.37 7.81 64 G 8.03 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.64 4.41 0.00 2.90 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 66 G 7.25 5.09 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 67 R 7.75 4.66 0.00 1.98 2.12 0.00 3.13 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 68 G 8.06 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 0.00 0.00 0.00 69 G 8.39 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.27 4.45 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.98 4.82 0.00 2.03 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 2.14 2.28 0.00 72 S 7.93 4.67 0.00 3.86 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 73 H 8.69 4.50 0.00 3.24 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.53 4.27 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 1.25 0.00 0.00 75 F 8.84 4.20 0.00 3.11 2.94 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 76 K 7.95 4.26 0.00 1.86 1.75 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.50 1.28 7.81