NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1432 8.2549 117.2607 54.8222 31.0090 175.1803 2 P 3.9833 0.0000 0.0000 62.2336 31.9788 176.0597 3 D 4.3944 8.4514 121.7977 57.2332 41.5228 178.6925 4 F 4.4167 7.9821 114.5295 59.6960 37.5523 177.8094 5 C 4.6492 7.7134 116.4501 59.1307 39.9974 174.6708 6 L 4.4067 7.6912 118.5604 53.8834 42.0703 176.2982 7 E 4.4561 7.4420 119.4531 54.3956 30.5824 174.7652 8 P 4.3456 0.0000 0.0000 61.6975 32.0893 174.5243 9 P 3.8251 0.0000 0.0000 62.5860 31.6141 175.2781 10 Y 4.6471 7.7725 120.3223 56.0987 40.6001 175.4402 11 T 4.1935 7.7723 124.5683 64.8462 68.8468 176.1686 12 G 3.8368 6.6427 106.7872 44.0306 0.0000 171.0283 13 P 4.3922 0.0000 0.0000 64.0612 32.2816 177.3606 14 C 4.5368 7.8097 116.8533 56.8964 40.8270 173.4546 15 K 4.4747 8.1744 118.7957 56.2223 32.2798 176.6348 16 A 4.2076 7.8939 121.7821 51.7190 20.1583 177.7145 17 R 4.6185 8.2666 119.2089 54.2990 30.1088 172.7514 18 I 4.3947 8.4955 123.2723 59.0848 39.7427 174.5153 19 I 4.4720 8.3136 128.1950 60.6779 37.7238 175.2441 20 R 4.8664 8.3166 125.4435 54.5033 34.3823 174.0654 21 Y 5.5305 9.3693 117.7985 56.4910 40.9555 175.3362 22 F 5.8212 9.6621 117.2947 55.3118 42.0740 173.0018 23 Y 4.4801 10.0278 122.4713 57.2442 39.7262 173.7700 24 N 4.8313 8.3028 126.3756 51.8381 39.4636 175.0873 25 A 3.7381 8.4948 130.1905 55.0030 18.9272 179.8423 26 K 3.9441 8.0520 113.5908 59.4399 32.2288 178.3177 27 A 4.0045 7.9283 119.9492 52.5830 18.4928 177.4381 28 G 3.9721 7.4503 103.3519 45.3679 0.0000 173.1060 29 L 4.6714 6.8711 116.6148 54.2176 44.5978 173.6378 30 C 5.0172 8.6176 117.1295 56.2594 38.2545 173.1123 31 Q 4.8648 8.6098 124.4880 54.2536 32.2568 174.4714 32 T 4.7492 8.6298 114.5908 61.4042 70.4694 173.5668 33 F 4.9993 8.9191 117.1833 55.9002 42.3916 173.0317 34 V 4.2896 8.4994 119.6316 62.2788 32.6903 173.6412 35 Y 4.7887 8.7310 130.4104 56.0151 40.3338 176.4259 36 G 3.8794 8.0940 113.4447 46.1632 0.0000 175.0753 37 G 3.8072 6.2777 107.5134 45.2107 0.0000 172.3656 38 C 5.0111 6.7830 111.9649 54.7109 44.7211 173.1125 39 R 3.8927 8.8741 116.0459 56.8982 26.9662 176.7178 40 A 4.1344 8.4783 119.4396 52.8141 18.7205 178.6824 41 K 4.3303 8.3469 121.2412 55.1081 33.8299 177.1566 42 R 3.5774 7.9860 117.8217 58.6753 30.3775 177.5766 43 N 4.7819 7.7576 117.7803 51.1707 37.2822 173.6659 44 N 4.9634 6.5832 115.4579 52.9840 41.1109 173.1961 45 F 5.0097 9.3564 125.0938 55.6206 42.2866 176.6730 46 K 4.3364 8.8644 122.4685 58.1330 32.6913 177.5399 47 S 4.5718 7.7445 112.7397 55.4938 67.1379 174.5653 48 A 3.2417 7.4194 124.3989 55.0806 17.9960 179.8662 49 E 3.7857 7.8605 116.4727 59.6825 29.6665 179.1556 50 D 4.3018 8.0758 118.7597 57.4485 40.8482 178.1031 51 C 2.4500 7.6944 118.7291 59.3954 44.8024 175.6295 52 M 3.8345 8.0941 120.6578 58.1530 31.2450 178.7512 53 R 3.9320 7.7219 119.7549 59.0204 30.2938 178.4121 54 T 4.1178 7.4060 114.3375 65.8150 68.8351 174.9731 55 C 4.4298 8.1157 115.0996 56.3264 41.8603 174.6724 56 G 3.6447 7.8163 107.0176 44.7393 0.0000 174.1294 57 G 3.7282 8.1514 106.8482 45.5557 0.0000 173.6774 58 A 4.1310 7.6725 128.0674 52.0888 18.6724 178.1685 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 R 8.25 4.14 0.00 1.65 1.79 0.00 3.03 0.00 0.00 3.05 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 2 P 0.00 3.98 0.00 0.73 1.47 0.00 3.30 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 1.76 1.98 0.00 3 D 8.45 4.39 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.42 0.00 3.21 3.34 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 0.00 5 C 7.71 4.65 0.00 2.99 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 6 L 7.69 4.41 0.00 1.74 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.44 4.46 0.00 2.07 1.89 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 2.41 2.44 0.00 8 P 0.00 4.35 0.00 2.07 1.98 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 9 P 0.00 3.83 0.00 0.61 0.49 0.00 3.21 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 10 Y 7.77 4.65 0.00 2.80 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 11 T 7.77 4.19 4.10 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 1.16 0.00 0.00 12 G 6.64 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 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.17 2.18 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 14 C 7.81 4.54 0.00 2.83 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 15 K 8.17 4.47 0.00 1.66 1.73 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.34 7.81 16 A 7.89 4.21 1.14 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 0.00 0.00 0.00 0.00 0.00 17 R 8.27 4.62 0.00 1.74 1.77 0.00 3.33 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 18 I 8.50 4.39 2.03 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 1.22 0.39 0.98 0.00 0.00 19 I 8.31 4.47 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.73 0.00 0.00 20 R 8.32 4.87 0.00 0.91 1.95 0.00 3.41 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 21 Y 9.37 5.53 0.00 3.15 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 22 F 9.66 5.82 0.00 3.32 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 23 Y 10.03 4.48 0.00 2.98 3.16 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 0.00 0.00 0.00 0.00 24 N 8.30 4.83 0.00 2.41 2.50 0.00 0.00 6.70 8.35 0.00 0.00 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 A 8.49 3.74 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.05 3.94 0.00 1.73 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.38 7.81 27 A 7.93 4.00 1.21 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 0.00 0.00 28 G 7.45 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 6.87 4.67 0.00 1.67 1.66 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.62 5.02 0.00 2.90 3.19 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 0.00 0.00 0.00 0.00 31 Q 8.61 4.86 0.00 1.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 32 T 8.63 4.75 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 0.62 0.00 0.00 33 F 8.92 5.00 0.00 3.11 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 34 V 8.50 4.29 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 0.88 0.00 0.00 0.91 0.00 0.00 35 Y 8.73 4.79 0.00 2.58 2.71 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 36 G 8.09 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 0.00 0.00 0.00 37 G 6.28 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 38 C 6.78 5.01 0.00 3.05 2.98 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 39 R 8.87 3.89 0.00 2.27 2.26 0.00 3.45 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 40 A 8.48 4.13 1.02 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 41 K 8.35 4.33 0.00 1.72 1.68 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.19 1.24 7.81 42 R 7.99 3.58 0.00 0.76 0.66 0.00 2.47 0.00 0.00 2.88 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 43 N 7.76 4.78 0.00 3.18 2.88 0.00 0.00 6.71 7.79 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 44 N 6.58 4.96 0.00 2.71 2.61 0.00 0.00 7.09 7.02 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 45 F 9.36 5.01 0.00 3.32 3.05 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 46 K 8.86 4.34 0.00 1.83 1.94 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.74 4.57 0.00 4.01 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 48 A 7.42 3.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.86 3.79 0.00 1.98 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 2.34 2.39 0.00 50 D 8.08 4.30 0.00 2.95 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 51 C 7.69 2.45 0.00 2.68 2.97 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 0.00 0.00 0.00 52 M 8.09 3.83 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 53 R 7.72 3.93 0.00 1.81 2.02 0.00 3.09 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 54 T 7.41 4.12 4.12 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 1.53 0.00 0.00 55 C 8.12 4.43 0.00 2.31 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 0.00 0.00 0.00 56 G 7.82 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 0.00 0.00 0.00 57 G 8.15 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.13 1.23 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 0.00 0.00 0.00