NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3797 8.3044 120.3248 55.3736 33.3673 174.1353 2 T 4.2881 8.2802 117.9640 59.7991 68.9941 172.4702 3 T 4.1765 9.1136 126.7839 63.6522 70.2625 172.8933 4 S 4.7922 7.9580 117.7351 56.4280 67.2022 175.5733 5 T 4.0691 8.3547 117.5641 66.6972 68.1664 177.4285 6 L 3.8929 7.7639 120.6122 57.6476 41.9230 179.0585 7 Q 3.9263 7.8948 119.0939 58.9441 29.1030 178.1793 8 K 3.6924 7.6150 119.5646 58.8709 31.9252 179.2369 9 A 3.5403 7.1966 121.1828 54.8905 17.8562 179.7908 10 I 3.7545 7.5152 118.3172 64.2341 37.0498 178.0457 11 D 4.2649 7.8023 118.5785 56.8406 40.9007 178.2955 12 L 3.8963 7.5310 119.2567 57.5215 41.5664 179.6786 13 V 3.3272 7.4811 111.9711 64.2362 31.3880 178.7811 14 T 3.8865 7.5264 115.6084 66.3229 68.3585 176.7913 15 K 4.0753 7.8279 121.0691 58.9429 32.0888 178.9786 16 A 3.8896 7.4004 121.4703 55.1444 18.0402 179.3621 17 T 3.7912 7.3688 110.5451 65.3785 67.8730 175.7500 18 E 4.0664 7.9160 119.1886 59.4786 29.4753 178.9845 19 E 3.9982 7.9100 119.0959 59.0495 29.1489 178.4803 20 D 3.9276 8.1708 118.2638 57.4052 40.9600 178.6037 21 K 4.1287 7.5168 115.8549 58.1264 32.0573 177.3410 22 A 4.5159 7.6678 121.3601 51.5128 18.9775 176.8669 23 K 4.0021 7.3196 114.4905 59.5998 30.4388 175.7481 24 N 5.0889 7.5641 111.1825 52.5249 39.6332 176.7680 25 Y 3.8722 8.3508 118.1509 61.5288 38.3175 178.3152 26 E 4.0699 8.2868 118.7752 59.4480 29.6131 178.8807 27 E 4.0245 8.1130 118.6956 59.1204 29.7527 178.3683 28 A 3.9821 8.9205 121.8192 54.9990 18.3683 179.3958 29 L 4.0356 7.9716 118.5673 58.5571 42.1646 179.5119 30 R 4.0612 7.7186 117.0579 59.1200 29.8295 179.0185 31 L 3.9904 8.3432 119.3277 57.6801 41.4246 179.2048 32 Y 4.0374 8.3828 117.1440 61.2334 37.7847 178.1267 33 Q 4.1579 8.2590 118.9681 59.4145 28.7022 178.8064 34 H 4.2287 8.3083 116.7225 58.8316 28.7281 177.7321 35 A 3.9833 7.8860 122.5483 55.0009 18.1224 179.8573 36 V 3.8656 7.7481 116.8981 66.0891 31.7050 178.1954 37 E 4.0312 8.0174 118.7265 59.5424 29.3635 178.8505 38 Y 3.8604 7.9981 116.5393 60.7104 37.9483 178.3062 39 F 4.3788 8.1467 118.6242 60.4384 39.0634 177.8067 40 L 4.0920 8.1748 118.7113 58.2010 41.4043 179.0732 41 H 4.1027 8.2221 117.6269 59.0978 29.6237 177.1419 42 A 4.0822 8.0225 122.2586 55.1084 17.9830 179.7613 43 I 3.7241 7.5669 116.8341 64.3689 37.3503 178.2020 44 K 4.1088 7.8527 118.8886 60.1894 32.1571 178.0585 45 Y 4.2191 8.3462 115.8141 59.5915 38.7522 177.0409 46 E 4.2437 8.4800 126.5675 55.0441 28.3623 175.0457 47 A 4.4457 8.0007 124.9823 50.9697 18.1128 177.2771 48 H 4.5248 8.2896 119.7592 55.8667 30.8924 175.8306 49 S 4.4481 8.5297 116.3345 59.0256 64.6778 174.8303 50 D 4.5235 8.5629 121.6058 57.3106 40.2613 179.0812 51 K 3.9125 7.9969 119.6869 59.4411 32.3803 178.6731 52 A 3.9972 7.8897 120.5106 55.1804 18.6557 179.5631 53 K 4.0011 8.5529 117.4255 59.6675 32.0247 179.4683 54 E 4.0436 8.3327 118.9874 59.3544 29.3980 179.4505 55 S 4.1179 7.8341 115.1574 61.6649 62.9334 176.8374 56 I 3.6667 7.9230 122.5838 64.0812 36.8863 178.5292 57 R 3.8700 7.9602 119.1475 59.3925 29.4655 178.5002 58 A 4.0978 8.1685 120.6518 54.9321 18.2465 179.8076 59 K 3.7468 8.0076 117.2570 59.5774 32.0713 179.3563 60 C 4.2534 7.9884 117.1132 62.8082 27.8267 176.3327 61 V 3.6248 7.4330 118.5475 66.0448 30.8774 178.1819 62 Q 3.9181 7.6924 117.1485 58.9421 28.3950 178.1328 63 Y 4.2628 8.1124 118.1794 61.0051 37.6271 178.2789 64 L 4.1060 8.2409 120.0168 57.5734 41.4690 178.9508 65 D 4.3910 7.8558 118.3027 57.0602 41.0002 178.2014 66 R 3.8833 7.7008 119.0904 58.9403 29.8808 178.2824 67 A 3.8687 7.5986 120.6966 54.7273 18.2677 179.5813 68 E 3.9355 7.7866 116.1594 59.5418 29.6093 179.3929 69 K 4.0224 7.7084 118.2007 59.2042 32.2530 178.9542 70 L 4.1861 7.7403 119.9446 57.7682 41.5867 179.5852 71 K 4.1469 7.9074 118.9064 60.1286 32.5483 178.9494 72 D 4.3573 8.4217 120.1248 56.9363 40.6467 178.1953 73 Y 3.8231 8.1228 120.6090 60.5996 38.6946 177.7677 74 L 4.0647 7.7653 118.8749 58.6889 40.6361 179.2047 75 R 4.0336 8.0041 118.4445 59.0440 30.1328 178.5955 76 S 4.1398 7.6651 111.4771 61.2166 62.5595 173.7422 77 K 3.9644 7.5215 125.5609 56.5201 31.8864 176.1322 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 M 8.30 4.38 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 T 8.28 4.29 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 3 T 9.11 4.18 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 1.15 0.00 0.00 4 S 7.96 4.79 0.00 3.79 3.68 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 0.00 5 T 8.35 4.07 4.26 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 1.32 0.00 0.00 6 L 7.76 3.89 0.00 1.66 1.71 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.89 3.93 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 8 K 7.61 3.69 0.00 1.36 0.74 0.00 1.03 0.00 0.00 1.38 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.20 1.51 7.81 9 A 7.20 3.54 -0.14 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 10 I 7.52 3.75 1.81 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 1.50 0.84 0.93 0.00 0.00 11 D 7.80 4.26 0.00 2.92 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.53 3.90 0.00 1.71 1.64 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.48 3.33 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 0.44 0.00 0.00 1.02 0.00 0.00 14 T 7.53 3.89 4.17 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 1.17 0.00 0.00 15 K 7.83 4.08 0.00 1.87 1.67 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.52 7.81 16 A 7.40 3.89 0.55 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 0.00 0.00 17 T 7.37 3.79 4.27 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 1.24 0.00 0.00 18 E 7.92 4.07 0.00 2.16 2.15 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 2.39 2.30 0.00 19 E 7.91 4.00 0.00 2.25 1.96 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 2.47 2.26 0.00 20 D 8.17 3.93 0.00 2.84 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 4.13 0.00 1.92 1.82 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 A 7.67 4.52 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 23 K 7.32 4.00 0.00 2.00 2.01 0.00 1.89 0.00 0.00 1.88 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.61 7.81 24 N 7.56 5.09 0.00 2.83 2.75 0.00 0.00 7.10 7.48 0.00 0.00 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 Y 8.35 3.87 0.00 3.09 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 26 E 8.29 4.07 0.00 2.05 2.05 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 2.49 2.37 0.00 27 E 8.11 4.02 0.00 2.08 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 2.46 2.41 0.00 28 A 8.92 3.98 1.42 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 0.00 0.00 0.00 29 L 7.97 4.04 0.00 2.09 1.88 1.02 0.81 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 30 R 7.72 4.06 0.00 2.19 1.93 0.00 3.36 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 31 L 8.34 3.99 0.00 1.67 1.51 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.38 4.04 0.00 3.23 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 33 Q 8.26 4.16 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.68 0.00 34 H 8.31 4.23 0.00 3.42 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.89 3.98 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 36 V 7.75 3.87 2.32 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 1.22 0.00 0.00 1.15 0.00 0.00 37 E 8.02 4.03 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 38 Y 8.00 3.86 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.15 4.38 0.00 3.36 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 40 L 8.17 4.09 0.00 1.84 1.77 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.22 4.10 0.00 3.23 3.12 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.02 4.08 1.52 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 43 I 7.57 3.72 2.07 0.00 0.00 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 1.51 0.89 0.97 0.00 0.00 44 K 7.85 4.11 0.00 1.99 2.01 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.67 7.81 45 Y 8.35 4.22 0.00 3.19 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 E 8.48 4.24 0.00 2.21 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 2.39 2.47 0.00 47 A 8.00 4.45 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 48 H 8.29 4.52 0.00 3.22 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.53 4.45 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.56 4.52 0.00 2.77 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 51 K 8.00 3.91 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.51 7.81 52 A 7.89 4.00 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 53 K 8.55 4.00 0.00 1.91 1.91 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.72 7.81 54 E 8.33 4.04 0.00 2.30 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 2.33 2.53 0.00 55 S 7.83 4.12 0.00 3.99 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 56 I 7.92 3.67 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 1.03 0.00 0.00 57 R 7.96 3.87 0.00 2.19 1.91 0.00 3.17 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 1.63 1.69 0.00 58 A 8.17 4.10 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 59 K 8.01 3.75 0.00 1.80 1.75 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.33 7.81 60 C 7.99 4.25 0.00 3.24 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 61 V 7.43 3.62 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 0.96 0.00 0.00 0.98 0.00 0.00 62 Q 7.69 3.92 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 63 Y 8.11 4.26 0.00 3.10 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 64 L 8.24 4.11 0.00 1.82 1.74 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.86 4.39 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.88 0.00 1.89 1.22 0.00 3.11 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 67 A 7.60 3.87 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.79 3.94 0.00 2.24 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 2.34 2.44 0.00 69 K 7.71 4.02 0.00 1.91 1.84 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.60 7.81 70 L 7.74 4.19 0.00 1.94 1.84 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 K 7.91 4.15 0.00 1.99 2.13 0.00 1.34 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.66 7.81 72 D 8.42 4.36 0.00 2.98 2.79 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 0.00 0.00 0.00 0.00 73 Y 8.12 3.82 0.00 3.18 3.04 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 0.00 0.00 0.00 0.00 74 L 7.77 4.06 0.00 1.91 1.90 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.00 4.03 0.00 1.91 2.02 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 76 S 7.67 4.14 0.00 4.01 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 77 K 7.52 3.96 0.00 1.43 1.46 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.20 7.81