NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1395 8.1593 112.9190 60.7212 69.1780 172.7687 2 W 4.4609 7.3633 123.6817 55.8275 29.4235 175.9455 3 L 4.5674 6.2567 121.2728 51.9504 42.0262 174.7621 4 P 4.2815 0.0000 0.0000 65.0034 31.6986 176.9049 5 T 4.5390 7.3647 105.6237 60.5779 71.3070 172.5041 6 L 4.5449 8.1223 119.1913 54.8841 43.2761 177.7129 7 V 3.7115 7.6605 118.4100 63.2679 31.9795 175.0631 8 T 4.8586 8.2448 121.4756 61.6228 72.6121 173.9505 9 A 4.3177 8.6966 128.1830 55.0098 18.8477 179.0670 10 T 4.4231 7.4914 104.7430 58.3578 73.1474 172.7703 11 P 2.0000 0.0000 0.0000 65.0752 31.3522 178.3807 12 Q 3.7651 7.6380 117.4351 59.4546 28.8606 178.3688 13 E 4.1730 8.1430 119.2652 59.0482 29.3777 179.8130 14 G 4.0231 7.9713 106.2101 47.8041 0.0000 175.4581 15 F 3.7575 8.2717 123.0560 61.1767 39.4560 176.6698 16 D 4.4448 8.1793 118.0900 57.4098 40.5656 178.8169 17 L 4.0330 7.9628 120.7963 57.9167 42.0293 178.7939 18 A 4.0079 7.9646 120.8489 55.1972 18.2043 179.7776 19 V 3.4180 7.9784 117.1325 65.7651 31.5227 178.2359 20 K 3.8936 7.9745 119.4382 59.5939 31.6460 178.8407 21 L 3.9642 8.3914 119.5602 57.9282 41.5662 179.7564 22 S 3.9335 8.2492 115.3387 61.4568 62.6921 176.7867 23 R 3.9421 7.6607 120.8212 58.6266 29.9685 178.9280 24 I 3.5573 7.7073 112.8895 63.6469 37.3796 178.1450 25 A 4.0052 7.4326 122.2519 54.7383 18.0833 179.7885 26 V 3.4863 7.0229 114.6889 66.0081 31.4344 177.8167 27 K 3.7379 7.8749 119.3202 59.8319 31.6993 178.7839 28 K 4.0202 8.1187 117.8655 59.4593 32.0459 179.0677 29 T 4.3245 7.4798 108.8870 62.5635 70.0716 174.6333 30 Q 4.4439 8.2565 122.5648 53.0232 28.9232 172.5968 31 P 4.4378 0.0000 0.0000 64.0842 32.1163 177.6195 32 D 4.4818 8.3045 119.1983 53.3194 39.3711 175.6576 33 A 3.9497 8.5076 127.9764 55.0089 18.1478 178.7796 34 Q 3.9185 8.1526 117.4804 59.5591 29.1242 178.7896 35 V 3.6936 8.1719 113.7170 64.2854 31.5889 178.7358 36 R 3.9478 8.0175 117.4618 59.2219 29.7192 178.6929 37 D 4.3415 8.0094 118.3175 57.5546 40.6159 178.7476 38 T 3.8654 7.3888 114.9664 66.8604 68.8531 176.4091 39 L 4.1715 8.2446 121.0050 57.5625 41.6012 179.3947 40 R 3.7300 8.1363 118.6511 59.5621 29.7611 178.1386 41 A 4.1335 7.3697 120.3802 54.3122 17.9832 179.4836 42 V 3.7747 7.7151 116.5207 66.0483 31.8010 177.8981 43 Y 4.3283 7.8126 117.1398 59.6373 38.2960 177.1631 44 E 3.7059 7.5794 119.3802 57.7292 29.1649 178.1500 45 K 4.4052 7.2673 116.1925 56.0690 33.2352 175.5142 46 D 4.7420 8.2113 120.0948 52.7814 42.1079 176.2468 47 A 4.0254 8.6121 129.7641 55.5774 18.5127 178.7307 48 N 4.2936 8.2519 113.9931 56.3046 38.6032 177.1040 49 A 3.9820 9.2622 122.9444 55.5090 18.6735 179.7411 50 L 4.0232 8.1822 117.0076 57.8961 41.6026 180.0512 51 I 3.8155 7.6197 119.7144 64.1879 37.1712 178.1530 52 A 4.0071 7.8816 121.5010 54.9413 18.1912 179.9694 53 V 3.4100 8.1069 117.2148 66.2180 31.6078 178.0212 54 S 4.0827 7.9407 112.2230 61.5152 61.9961 175.9863 55 A 3.9836 8.0718 123.2730 55.1612 18.1048 179.6051 56 V 3.4940 7.7467 116.8165 66.2259 31.6156 178.5625 57 V 3.6079 7.7938 118.4322 64.7299 30.7448 178.1612 58 A 4.0743 8.1415 121.6683 55.3633 18.0909 179.7042 59 T 3.8562 7.7033 114.1328 67.1866 68.5202 176.7240 60 H 4.2244 8.2400 118.0828 58.8831 28.7850 177.7187 61 F 4.4497 8.6710 122.6566 61.1031 39.2095 177.0311 62 Q 3.8878 7.8676 119.7825 59.2310 28.8476 178.1175 63 T 3.7668 7.5028 116.7796 66.7957 68.7240 176.6501 64 I 3.6140 7.9731 120.2932 63.7647 37.9258 177.6337 65 A 3.2122 7.7241 121.5992 54.8629 18.0843 179.5232 66 A 2.9496 7.3338 118.4126 54.7422 18.1800 179.5749 67 A 3.7773 7.3081 118.4369 54.7225 18.4973 178.5904 68 N 4.2097 7.0942 112.4925 51.4602 38.6479 174.6950 69 D 4.0815 8.2142 118.5184 55.5354 40.2472 173.5245 70 Y 3.4454 7.6030 111.0574 57.4062 36.5957 170.7074 71 W 3.9559 7.8600 125.6007 57.3681 29.7910 174.0305 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 T 8.16 4.14 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 2 W 7.36 4.46 0.00 3.62 3.26 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 3 L 6.26 4.57 0.00 0.91 0.71 1.08 0.97 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 4 P 0.00 4.28 0.00 2.19 2.13 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 5 T 7.36 4.54 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 1.18 0.00 0.00 6 L 8.12 4.54 0.00 1.59 1.71 0.90 0.89 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 7 V 7.66 3.71 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 0.78 0.00 0.00 0.89 0.00 0.00 8 T 8.24 4.86 4.68 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 9 A 8.70 4.32 1.38 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 10 T 7.49 4.42 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 1.17 0.00 0.00 11 P 0.00 2.00 0.00 1.81 1.76 0.00 3.19 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 12 Q 7.64 3.77 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 13 E 8.14 4.17 0.00 2.23 2.06 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 2.33 2.31 0.00 14 G 7.97 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 0.00 0.00 0.00 15 F 8.27 3.76 0.00 2.75 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 16 D 8.18 4.44 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.03 0.00 1.92 2.02 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.96 4.01 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 19 V 7.98 3.42 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 0.98 0.00 0.00 0.86 0.00 0.00 20 K 7.97 3.89 0.00 2.01 2.01 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 21 L 8.39 3.96 0.00 1.50 1.30 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.25 3.93 0.00 4.00 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 23 R 7.66 3.94 0.00 1.89 1.91 0.00 3.13 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 24 I 7.71 3.56 1.21 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.74 0.75 0.00 0.00 25 A 7.43 4.01 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 26 V 7.02 3.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 27 K 7.87 3.74 0.00 1.76 1.82 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.44 7.81 28 K 8.12 4.02 0.00 1.64 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.34 1.37 7.81 29 T 7.48 4.32 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 1.26 0.00 0.00 30 Q 8.26 4.44 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 31 P 0.00 4.44 0.00 2.20 2.14 0.00 3.41 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 32 D 8.30 4.48 0.00 2.75 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 33 A 8.51 3.95 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 34 Q 8.15 3.92 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 35 V 8.17 3.69 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 0.78 0.00 0.00 0.98 0.00 0.00 36 R 8.02 3.95 0.00 2.02 2.01 0.00 3.12 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 37 D 8.01 4.34 0.00 2.91 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 38 T 7.39 3.87 4.36 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 1.21 0.00 0.00 39 L 8.24 4.17 0.00 1.77 1.82 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.14 3.73 0.00 2.04 2.20 0.00 2.46 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 41 A 7.37 4.13 1.27 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 42 V 7.72 3.77 2.24 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 1.07 0.00 0.00 0.98 0.00 0.00 43 Y 7.81 4.33 0.00 3.17 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 44 E 7.58 3.71 0.00 1.94 1.71 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 2.36 2.17 0.00 45 K 7.27 4.41 0.00 1.85 1.83 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.31 7.81 46 D 8.21 4.74 0.00 2.90 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 47 A 8.61 4.03 1.34 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 0.00 0.00 48 N 8.25 4.29 0.00 2.96 2.89 0.00 0.00 6.95 8.08 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 49 A 9.26 3.98 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 50 L 8.18 4.02 0.00 1.92 1.80 1.02 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.62 3.82 2.04 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 1.48 0.87 0.93 0.00 0.00 52 A 7.88 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.11 3.41 2.23 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 0.97 0.00 0.00 0.78 0.00 0.00 54 S 7.94 4.08 0.00 4.00 4.06 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 55 A 8.07 3.98 1.38 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 56 V 7.75 3.49 2.16 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 1.06 0.00 0.00 0.98 0.00 0.00 57 V 7.79 3.61 1.82 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 0.89 0.00 0.00 0.33 0.00 0.00 58 A 8.14 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 3.86 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 1.16 0.00 0.00 60 H 8.24 4.22 0.00 3.20 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.67 4.45 0.00 3.00 3.27 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 62 Q 7.87 3.89 0.00 2.32 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 63 T 7.50 3.77 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 64 I 7.97 3.61 1.93 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 1.07 0.00 0.00 65 A 7.72 3.21 0.97 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 66 A 7.33 2.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.31 3.78 1.22 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 0.00 0.00 68 N 7.09 4.21 0.00 1.44 1.42 0.00 0.00 6.74 7.40 0.00 0.00 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 D 8.21 4.08 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 3.45 0.00 3.18 3.14 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 71 W 7.86 3.96 0.00 3.61 3.07 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 0.00 0.00 0.00 0.00