NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4210 0.0000 0.0000 62.4614 32.8513 174.7996 6 V 4.3613 7.8321 117.4856 60.6107 35.1014 172.9126 7 P 4.8265 0.0000 0.0000 61.8582 31.7452 178.2257 8 K 5.5114 7.9666 134.7294 56.8231 33.8040 173.1455 9 K 4.2593 6.9089 124.1623 56.3707 37.3876 175.3518 10 K 4.5733 8.5730 125.7089 55.5114 35.2479 176.3537 11 T 3.9299 8.5669 115.9725 62.3003 68.1332 173.1956 12 S 4.7454 8.3511 119.3305 56.6979 64.6138 175.6492 13 K 4.1589 8.6652 124.7781 59.1329 32.1677 178.6622 14 A 3.9706 8.0621 121.7178 55.6105 18.0137 179.5209 15 R 3.9661 7.6529 113.9768 58.0166 29.7534 178.3509 16 R 3.8692 7.3228 118.0355 59.9499 30.6211 176.6981 17 D 4.3484 8.0418 118.0255 56.3046 41.9473 177.5004 18 A 3.7546 7.2487 119.4947 56.7090 18.3628 178.4823 19 R 4.1391 7.1806 115.3883 56.8999 30.0988 178.2196 20 R 4.5372 7.6703 117.3533 56.3360 30.8097 177.9946 21 S 4.1810 7.6634 117.7660 61.4101 62.9832 175.7673 22 H 4.5164 7.7479 114.8873 57.4066 28.4523 175.3392 23 H 4.5369 7.5799 115.8437 55.5585 28.7865 174.3334 24 A 3.9539 7.8129 123.6139 52.2718 17.4767 176.7458 25 L 3.6311 7.9712 119.6797 55.6979 41.3216 178.1253 26 T 4.2631 8.2973 120.1662 59.4645 66.1515 172.1568 27 P 4.4822 0.0000 0.0000 61.6549 32.5792 177.5669 28 P 4.7876 0.0000 0.0000 62.3867 31.5381 173.4362 29 I 4.2995 8.4694 111.5204 61.0885 38.9367 173.6536 30 L 5.0313 7.5517 122.3825 54.9343 43.6893 173.1045 31 V 4.4808 7.2121 112.9313 60.0125 36.0255 174.5740 32 P 4.7927 0.0000 0.0000 62.9033 30.2796 175.4900 33 C 5.2927 7.9647 127.7668 59.7181 35.0198 174.1424 34 P 5.1049 0.0000 0.0000 61.9998 31.2590 178.8947 35 E 3.5038 9.8004 109.0086 59.4189 28.6436 179.5650 36 C 4.4783 9.1756 127.2106 60.1353 30.8447 173.1819 37 K 4.3803 8.3762 117.3320 56.4835 31.2474 178.3620 38 A 4.8084 7.1976 123.7278 50.7026 17.9814 177.7621 39 M 5.1139 7.6116 119.6556 54.8157 29.8906 176.7638 40 K 4.3412 8.0570 122.6080 54.7960 34.0128 174.9393 41 P 4.5391 0.0000 0.0000 61.1412 32.5900 171.5032 42 P 4.1264 0.0000 0.0000 62.7884 30.7392 171.8521 43 H 4.1368 10.2992 119.1468 55.9946 25.7631 174.3027 44 T 4.3715 7.4474 118.6447 62.7596 72.4365 172.9666 45 V 3.9574 7.9028 121.0138 61.3596 34.3165 174.3373 46 C 4.7100 7.9102 123.3364 57.8769 32.0566 172.3974 47 P 4.6847 0.0000 0.0000 63.2155 30.9673 176.5359 48 E 4.2512 8.0175 121.4745 58.1110 29.9851 176.7699 49 C 4.6999 7.5928 114.3323 57.0817 33.9000 174.3629 50 G 4.5169 8.2364 107.1171 44.4376 0.0000 174.8372 51 Y 4.7929 8.4350 118.3458 56.2689 38.4985 172.3998 52 Y 5.7625 7.1266 135.0000 58.9823 38.2589 171.9615 53 A 4.5795 7.2603 120.7370 53.2667 21.8840 178.6626 54 G 3.6301 8.3354 106.1528 45.4088 0.0000 171.3537 55 R 3.8975 7.0456 122.8801 53.8629 32.3841 173.0958 56 K 4.3776 8.5536 125.0785 56.8712 35.2633 178.0051 57 V 4.2322 8.4116 109.7102 60.6814 31.1753 179.0845 58 L 4.9273 8.6464 128.9480 53.8320 44.9244 174.4049 59 E 5.0465 8.2506 116.5156 55.6815 32.5210 175.4045 60 V 3.9827 8.0673 117.9627 63.5026 31.4858 173.6219 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 5 P 0.00 4.42 0.00 2.06 2.09 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 V 7.83 4.36 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 0.80 0.00 0.00 0.93 0.00 0.00 7 P 0.00 4.83 0.00 2.08 1.71 0.00 3.88 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 2.02 2.06 0.00 8 K 7.97 5.51 0.00 1.81 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 1.19 7.81 9 K 6.91 4.26 0.00 1.72 1.52 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.28 7.81 10 K 8.57 4.57 0.00 1.65 1.62 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 11 T 8.57 3.93 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 12 S 8.35 4.75 0.00 3.89 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 13 K 8.67 4.16 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.44 7.81 14 A 8.06 3.97 1.30 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 0.00 0.00 0.00 15 R 7.65 3.97 0.00 2.11 2.00 0.00 3.20 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 16 R 7.32 3.87 0.00 1.64 2.51 0.00 3.26 0.00 0.00 3.15 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 17 D 8.04 4.35 0.00 2.71 2.64 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 18 A 7.25 3.75 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 19 R 7.18 4.14 0.00 1.97 2.08 0.00 3.04 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 20 R 7.67 4.54 0.00 1.91 2.08 0.00 3.20 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 21 S 7.66 4.18 0.00 3.66 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 22 H 7.75 4.52 0.00 3.07 3.29 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.58 4.54 0.00 3.34 3.30 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.81 3.95 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 25 L 7.97 3.63 0.00 1.66 1.65 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.30 4.26 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 1.22 0.00 0.00 27 P 0.00 4.48 0.00 2.22 2.05 0.00 3.83 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 1.99 1.97 0.00 28 P 0.00 4.79 0.00 2.20 2.01 0.00 3.72 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 1.99 1.95 0.00 29 I 8.47 4.30 1.87 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 1.30 0.96 0.91 0.00 0.00 30 L 7.55 5.03 0.00 1.74 1.73 0.94 0.92 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 31 V 7.21 4.48 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 0.74 0.00 0.00 0.99 0.00 0.00 32 P 0.00 4.79 0.00 2.19 1.78 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 33 C 7.96 5.29 0.00 3.05 2.87 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 34 P 0.00 5.10 0.00 2.47 1.63 0.00 3.92 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.02 0.00 35 E 9.80 3.50 0.00 2.18 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 36 C 9.18 4.48 0.00 3.02 3.09 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 37 K 8.38 4.38 0.00 1.87 1.86 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.43 7.81 38 A 7.20 4.81 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 39 M 7.61 5.11 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 40 K 8.06 4.34 0.00 1.96 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.71 7.81 41 P 0.00 4.54 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 42 P 0.00 4.13 0.00 2.05 2.05 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 43 H 10.30 4.14 0.00 3.38 3.50 0.00 5.69 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 44 T 7.45 4.37 4.20 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 1.14 0.00 0.00 45 V 7.90 3.96 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 0.69 0.00 0.00 0.64 0.00 0.00 46 C 7.91 4.71 0.00 2.92 2.70 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 47 P 0.00 4.68 0.00 2.17 2.11 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 48 E 8.02 4.25 0.00 2.02 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 2.37 2.29 0.00 49 C 7.59 4.70 0.00 3.12 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 50 G 8.24 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.79 0.00 2.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.13 5.76 0.00 3.17 3.17 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 53 A 7.26 4.58 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 54 G 8.34 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 0.00 0.00 0.00 55 R 7.05 3.90 0.00 1.89 2.09 0.00 3.19 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 56 K 8.55 4.38 0.00 1.75 1.51 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.07 1.36 7.81 57 V 8.41 4.23 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 0.71 0.00 0.00 0.91 0.00 0.00 58 L 8.65 4.93 0.00 1.70 1.53 0.92 0.71 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 59 E 8.25 5.05 0.00 2.09 1.93 0.00 0.00 0.00 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 2.34 0.00 60 V 8.07 3.98 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 0.73 0.00 0.00 0.95 0.00 0.00