NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1548 8.3444 119.6810 54.5308 31.0782 176.0038 2 E 3.6868 8.1256 116.6280 54.1043 28.6923 174.0123 3 K 3.8650 7.9862 118.4853 60.3547 32.7421 177.9814 4 E 3.8362 7.9433 120.2424 59.3320 29.7851 178.3393 5 A 3.8271 7.6776 119.8781 54.3390 18.2229 179.7365 6 I 3.5709 7.2824 118.8541 64.3491 37.1292 178.0634 7 E 3.9867 7.6525 116.8597 58.6569 29.7468 178.9210 8 R 3.9950 7.3075 120.2438 59.1966 30.1867 177.7714 9 L 4.1279 8.2690 119.1517 58.2745 41.8003 180.0116 10 K 4.0356 8.3164 117.7784 59.3683 31.7551 179.2525 11 A 4.0477 7.5300 119.4301 54.3192 18.3123 178.7022 12 L 4.0191 6.8890 115.5844 54.9292 41.5098 177.4374 13 G 4.0552 7.4945 107.7487 45.5176 0.0000 174.6563 14 F 5.3490 7.0123 118.4586 56.9053 39.6276 175.2590 15 E 4.7382 8.7921 122.9146 55.0261 33.5536 175.7484 16 E 3.9399 9.0134 125.8850 59.6237 29.4220 179.7483 17 S 4.1661 7.9841 114.7893 61.3771 63.1947 176.2785 18 L 4.1577 7.8662 121.3723 58.1030 40.2348 179.1488 19 V 3.7211 7.9047 119.9760 65.9703 31.5870 177.8461 20 I 3.6822 7.8837 119.4051 64.6140 37.1124 178.4421 21 Q 3.9912 8.2056 119.8074 58.6684 28.5699 177.5495 22 A 2.5800 7.4369 121.3919 53.3061 18.4006 178.0750 23 Y 3.9395 7.8295 117.3512 58.7479 39.2744 177.1098 24 F 4.4900 8.2998 118.2849 59.3631 39.4430 177.9040 25 A 4.1021 7.9617 120.6093 55.0063 18.3288 177.8494 26 C 4.2972 7.9621 111.0548 59.2873 28.8851 172.9714 27 E 3.5357 7.6818 119.7985 61.0416 27.9579 175.5147 28 K 4.0286 7.9257 117.9681 57.6557 30.2559 175.1539 29 N 4.4259 7.4769 119.4067 53.4604 40.3412 174.4903 30 E 4.0695 7.1509 123.4439 57.9620 27.4142 176.5567 31 N 4.4164 7.7249 115.0535 55.7589 38.6850 176.9770 32 L 3.9612 7.6798 121.1258 57.1936 42.4856 178.2805 33 A 4.0913 7.7345 121.4947 54.3836 18.2914 179.0620 34 A 4.0508 7.9878 119.3125 55.6392 18.5021 179.3214 35 N 4.2477 7.7738 114.9879 56.6942 38.6526 176.6843 36 F 3.9571 8.0512 121.3379 61.5126 39.9825 176.9747 37 L 4.0634 8.1288 118.4183 57.4316 41.1132 179.2803 38 L 4.2556 7.8875 118.0630 57.0573 41.7913 178.8655 39 S 4.2910 7.8015 112.4605 60.0988 63.4833 174.6598 40 Q 4.2197 7.0603 120.4299 53.8415 26.8585 174.1568 41 N 4.3650 8.0881 117.0821 53.4487 39.4527 174.6335 42 F 4.4421 8.8332 119.7646 58.9930 42.1127 173.9310 43 D 4.1973 8.5286 125.9460 53.4375 40.3853 172.7589 44 D 4.3728 7.2269 115.0651 55.1982 38.9843 173.2238 45 E 4.3558 7.8586 122.5246 56.9739 29.4672 174.5035 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 Q 8.34 4.15 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 5.61 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 2 E 8.13 3.69 0.00 2.08 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 1.83 1.78 0.00 3 K 7.99 3.87 0.00 2.01 2.02 0.00 1.40 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.52 7.81 4 E 7.94 3.84 0.00 1.96 1.91 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 2.34 2.28 0.00 5 A 7.68 3.83 0.91 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 6 I 7.28 3.57 1.89 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.49 0.91 0.00 0.00 7 E 7.65 3.99 0.00 2.04 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 2.42 2.28 0.00 8 R 7.31 3.99 0.00 1.91 2.01 0.00 3.12 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 9 L 8.27 4.13 0.00 1.76 1.96 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.32 4.04 0.00 1.82 1.86 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 11 A 7.53 4.05 1.36 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 0.00 0.00 0.00 12 L 6.89 4.02 0.00 0.36 0.93 0.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.49 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 0.00 0.00 0.00 14 F 7.01 5.35 0.00 3.12 2.84 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 15 E 8.79 4.74 0.00 2.10 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 16 E 9.01 3.94 0.00 2.08 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 2.40 2.44 0.00 17 S 7.98 4.17 0.00 3.93 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 18 L 7.87 4.16 0.00 1.97 1.96 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.90 3.72 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 1.15 0.00 0.00 1.06 0.00 0.00 20 I 7.88 3.68 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 1.12 0.00 0.00 21 Q 8.21 3.99 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 22 A 7.44 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.83 3.94 0.00 3.20 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 24 F 8.30 4.49 0.00 3.31 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 25 A 7.96 4.10 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 26 C 7.96 4.30 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.68 3.54 0.00 2.13 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 2.23 2.28 0.00 28 K 7.93 4.03 0.00 1.84 2.06 0.00 1.63 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.37 1.40 7.81 29 N 7.48 4.43 0.00 2.76 2.71 0.00 0.00 7.74 7.63 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 30 E 7.15 4.07 0.00 2.17 2.35 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 2.33 2.26 0.00 31 N 7.72 4.42 0.00 2.78 2.85 0.00 0.00 6.54 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.68 3.96 0.00 1.60 1.56 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.73 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.99 4.05 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 35 N 7.77 4.25 0.00 3.02 2.95 0.00 0.00 6.92 7.59 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 36 F 8.05 3.96 0.00 3.05 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 37 L 8.13 4.06 0.00 1.56 0.44 1.10 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.89 4.26 0.00 1.66 1.80 1.07 1.09 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 39 S 7.80 4.29 0.00 3.90 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 40 Q 7.06 4.22 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.10 2.33 0.00 41 N 8.09 4.37 0.00 2.75 2.81 0.00 0.00 7.15 7.45 0.00 0.00 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 F 8.83 4.44 0.00 3.01 2.91 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 43 D 8.53 4.20 0.00 1.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.23 4.37 0.00 2.80 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 4.36 0.00 2.01 1.73 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 2.14 2.22 0.00