NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7314 8.1293 121.6775 57.9992 38.6494 174.0870 2 D 4.1943 8.4961 124.9620 51.8913 39.8907 176.0936 3 G 3.9114 7.7375 107.6520 46.1549 0.0000 175.3915 4 T 4.2755 7.8969 108.2569 61.5849 70.2085 174.1997 5 H 4.5085 8.0840 120.4822 54.8201 29.0063 174.7294 6 C 5.0979 8.4797 123.1009 54.6566 41.7586 175.1827 7 K 3.9518 9.0151 123.4157 57.3559 32.4553 176.6359 8 A 4.5384 7.4324 125.4151 51.4604 22.3765 174.3022 9 P 4.4640 0.0000 0.0000 63.6368 31.8949 176.8000 10 G 4.0066 9.0874 109.6796 46.3067 0.0000 174.3896 11 N 5.0592 7.9706 115.8306 52.5325 39.7300 173.2672 12 C 5.0082 8.0596 113.9943 54.8359 41.9767 174.3025 13 W 4.3355 8.3473 129.6704 58.0613 30.5784 174.6854 14 E 3.8798 6.1970 123.3682 53.0176 32.4074 173.8722 15 P 3.7002 0.0000 0.0000 62.1592 32.4209 175.9086 16 K 4.3380 7.9454 117.9712 54.2295 33.3586 174.7132 17 P 4.3494 0.0000 0.0000 64.9370 31.3803 177.0176 18 G 3.9641 9.4085 110.7171 45.3399 0.0000 172.6636 19 F 4.8731 8.1960 116.9545 54.7559 42.6186 172.8919 20 P 4.8200 0.0000 0.0000 61.4701 32.8672 175.7816 21 E 4.3622 8.9118 119.9448 58.4276 29.8248 177.1132 22 K 4.7471 7.9806 116.3917 54.5117 34.8614 175.7763 23 I 4.2260 8.2010 114.6109 61.6849 38.9264 175.8388 24 A 4.1518 7.9640 123.5449 54.0365 18.2895 177.6599 25 G 3.9345 9.5540 112.0660 45.1473 0.0000 173.2693 26 S 4.6843 7.8909 115.0042 55.9817 65.2361 174.9297 27 K 3.9651 8.0980 118.3728 59.2901 32.2916 177.1830 28 Y 4.6025 7.5429 116.3825 58.0037 38.0528 175.0560 29 D 4.4141 7.8390 121.3722 54.0010 41.5240 174.6384 30 P 4.2937 0.0000 0.0000 63.4849 31.8740 176.2277 31 K 3.8291 8.0551 116.8911 57.1909 29.8675 175.5904 32 H 4.3071 8.0939 114.0597 56.2396 29.5361 175.2206 33 D 4.7707 8.4515 121.0266 52.2986 42.5114 175.1506 34 P 4.2279 0.0000 0.0000 65.8969 31.1355 178.1793 35 K 3.8122 7.8866 115.6622 59.7698 32.3529 178.3943 36 E 4.0989 8.2175 117.7078 59.9108 29.2627 179.3070 37 L 3.9640 7.7604 117.0579 57.9432 42.0988 178.6931 38 N 4.6451 8.1713 113.9415 53.4606 38.6974 176.7711 39 K 3.8488 8.0484 122.7311 59.9074 32.1050 178.4766 40 Q 3.9952 7.9569 117.5824 58.5547 28.5714 178.3104 41 V 3.5737 7.7172 118.0776 66.0675 32.0000 177.3688 42 E 4.1027 8.0450 118.0078 59.6196 29.1820 179.3746 43 S 4.1038 8.2747 113.3500 61.4430 62.4626 176.1875 44 R 3.9393 8.4159 121.5413 58.9582 29.6690 178.6489 45 K 4.0950 7.9522 118.5247 59.3141 32.0218 179.3671 46 G 3.6142 8.0630 105.5469 47.7421 0.0000 175.5315 47 E 3.9812 7.8699 120.7475 59.2128 29.5849 179.0420 48 E 3.9486 8.2194 118.5809 59.4356 29.4937 178.7906 49 E 3.8843 8.2937 119.3159 59.7688 29.5813 179.3265 50 R 3.8331 8.0960 117.7082 58.9758 29.9805 178.6609 51 N 4.3250 8.8619 116.5850 56.4854 38.6299 177.2112 52 A 3.9873 8.4149 122.3432 55.1389 18.5590 179.0986 53 N 4.1581 8.3576 115.7627 56.9212 38.9813 177.4056 54 R 3.3926 7.8839 119.2556 58.6836 30.0458 178.6733 55 A 4.2195 7.9182 120.8144 55.3008 18.3418 179.1627 56 E 3.8619 8.0833 117.6889 59.8867 29.5685 178.5179 57 H 4.1573 8.0372 117.7809 59.0334 29.7428 177.0715 58 F 4.3252 8.1865 122.5643 61.3464 39.1475 176.8675 59 K 3.6179 8.0219 118.3600 59.4370 32.0160 177.4529 60 K 4.1988 7.4273 116.4108 57.3768 32.5905 176.9171 61 T 4.3101 7.3974 106.5727 60.1485 70.3795 175.1277 62 G 3.7331 8.7222 110.1287 45.2684 0.0000 173.1551 63 K 4.8560 7.9040 117.8555 54.1368 34.8291 175.9363 64 W 3.9906 9.2153 134.0270 57.1381 30.9599 175.0554 65 V 4.2733 7.7131 125.6433 60.9865 32.0713 174.0252 66 Y 4.0910 9.0554 129.0285 60.6226 38.5972 176.2956 67 D 4.3728 7.9370 121.4906 53.2672 40.8239 176.1581 68 V 3.6926 7.9072 120.0496 62.6607 31.7168 176.9806 69 K 4.6096 8.3141 120.2450 56.0631 32.1962 177.1888 70 K 4.0827 7.7132 123.6118 56.9432 33.2657 176.2458 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 Y 8.13 4.73 0.00 2.80 2.92 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 0.00 0.00 0.00 0.00 2 D 8.50 4.19 0.00 2.77 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 3 G 7.74 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.90 4.28 4.16 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 1.23 0.00 0.00 5 H 8.08 4.51 0.00 3.51 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.48 5.10 0.00 2.97 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 7 K 9.02 3.95 0.00 1.89 1.98 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.49 7.81 8 A 7.43 4.54 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.46 0.00 2.07 2.01 0.00 3.83 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 2.04 2.09 0.00 10 G 9.09 4.01 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 0.00 0.00 0.00 11 N 7.97 5.06 0.00 2.69 2.73 0.00 0.00 6.93 8.11 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 12 C 8.06 5.01 0.00 3.12 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 13 W 8.35 4.34 0.00 3.26 3.25 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 0.00 14 E 6.20 3.88 0.00 1.51 1.40 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 0.00 2.07 2.42 0.00 15 P 0.00 3.70 0.00 2.33 2.16 0.00 3.31 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 16 K 7.95 4.34 0.00 1.67 1.78 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.34 7.81 17 P 0.00 4.35 0.00 2.10 2.07 0.00 3.74 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 2.08 2.14 0.00 18 G 9.41 3.96 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 0.00 19 F 8.20 4.87 0.00 3.13 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 20 P 0.00 4.82 0.00 2.56 2.14 0.00 4.15 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 21 E 8.91 4.36 0.00 2.01 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 2.39 2.54 0.00 22 K 7.98 4.75 0.00 1.80 1.70 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.43 7.81 23 I 8.20 4.23 2.03 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 1.36 1.01 1.04 0.00 0.00 24 A 7.96 4.15 1.28 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 0.00 0.00 0.00 25 G 9.55 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.89 4.68 0.00 3.97 4.09 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 27 K 8.10 3.97 0.00 1.64 1.75 0.00 1.26 0.00 0.00 1.44 0.00 0.00 2.44 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.72 0.33 7.81 28 Y 7.54 4.60 0.00 3.12 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 29 D 7.84 4.41 0.00 2.81 2.59 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 0.00 0.00 0.00 30 P 0.00 4.29 0.00 1.64 2.02 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.06 0.00 31 K 8.06 3.83 0.00 1.91 1.94 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 32 H 8.09 4.31 0.00 3.14 3.23 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.45 4.77 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 4.23 0.00 2.19 2.11 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 35 K 7.89 3.81 0.00 1.76 1.89 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.99 1.65 7.81 36 E 8.22 4.10 0.00 2.13 2.01 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 2.52 2.38 0.00 37 L 7.76 3.96 0.00 1.76 1.75 0.89 0.95 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 38 N 8.17 4.65 0.00 2.74 2.83 0.00 0.00 6.58 6.91 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 39 K 8.05 3.85 0.00 2.16 1.82 0.00 1.51 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.54 7.81 40 Q 7.96 4.00 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 V 7.72 3.57 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 0.87 0.00 0.00 0.93 0.00 0.00 42 E 8.05 4.10 0.00 2.20 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 2.49 2.47 0.00 43 S 8.27 4.10 0.00 3.87 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 44 R 8.42 3.94 0.00 2.03 2.04 0.00 3.25 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 45 K 7.95 4.10 0.00 2.01 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 46 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.98 0.00 2.02 2.03 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 2.36 2.57 0.00 48 E 8.22 3.95 0.00 2.02 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 2.35 2.54 0.00 49 E 8.29 3.88 0.00 2.01 2.01 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 2.28 2.35 0.00 50 R 8.10 3.83 0.00 1.91 1.80 0.00 3.07 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 51 N 8.86 4.32 0.00 2.95 2.97 0.00 0.00 6.88 8.13 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 52 A 8.41 3.99 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 N 8.36 4.16 0.00 2.92 2.81 0.00 0.00 7.24 8.51 0.00 0.00 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 R 7.88 3.39 0.00 1.47 0.66 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 55 A 7.92 4.22 1.53 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 0.00 0.00 56 E 8.08 3.86 0.00 2.14 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 2.29 2.32 0.00 57 H 8.04 4.16 0.00 3.25 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.19 4.33 0.00 3.20 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 59 K 8.02 3.62 0.00 2.03 1.90 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 60 K 7.43 4.20 0.00 1.77 1.98 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.37 7.81 61 T 7.40 4.31 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 1.03 0.00 0.00 62 G 8.72 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 63 K 7.90 4.86 0.00 1.99 1.91 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 64 W 9.22 3.99 0.00 2.96 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 65 V 7.71 4.27 1.90 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 0.79 0.00 0.00 1.02 0.00 0.00 66 Y 9.06 4.09 0.00 3.16 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 67 D 7.94 4.37 0.00 2.80 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 3.69 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 0.68 0.00 0.00 0.81 0.00 0.00 69 K 8.31 4.61 0.00 1.69 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.35 7.81 70 K 7.71 4.08 0.00 1.62 1.57 0.00 1.60 0.00 0.00 1.92 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.39 7.81