NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 Y 4.7933 7.9914 121.6934 57.6329 41.0975 177.0021 15 G 3.5583 8.1177 106.5573 46.5972 0.0000 172.1082 16 E 3.7186 8.2535 121.3398 59.2170 30.0650 176.3695 17 Y 4.0164 7.8519 118.9356 60.9759 38.8836 178.5106 18 V 2.9944 7.2149 112.9849 64.1269 31.3819 178.2785 19 Q 2.5200 7.2317 118.2891 58.5994 28.6157 178.2312 20 Q 3.9246 7.2097 118.1486 58.1186 29.0810 177.2424 21 T 4.3732 6.8500 110.6510 60.8336 67.8806 174.2776 22 L 3.8462 7.2635 120.3585 55.3704 41.4233 176.5289 23 Q 4.0971 7.9713 123.3917 54.0567 29.8772 174.4695 24 P 5.0660 0.0000 0.0000 60.9457 28.7679 174.5272 25 G 3.4223 8.1510 108.7981 43.8281 0.0000 171.1038 26 M 4.4297 7.9140 119.5689 53.8235 34.0565 174.4308 27 R 4.8407 8.3353 119.2251 55.2464 31.4545 175.6037 28 V 4.7205 8.3780 118.8384 59.6765 35.7920 174.2910 29 R 5.2006 9.2108 120.9577 55.3338 34.0287 173.3454 30 M 4.8400 9.3885 126.5962 54.2787 33.0520 175.9574 31 L 4.5547 8.5625 126.5233 56.4778 41.4171 176.0383 32 D 4.9885 7.8012 118.3696 52.3925 44.8556 174.0603 33 D 4.6222 8.7167 123.3219 53.5501 39.8967 175.4369 34 Y 4.3346 8.6287 120.6988 55.5119 40.5290 176.2914 35 E 3.9609 8.9046 120.2407 59.4645 29.4028 178.3167 36 E 4.5411 7.6545 110.7125 55.3429 31.4899 174.7831 37 I 4.3101 7.1427 120.0282 59.6624 40.2546 175.0874 38 S 4.6178 8.0427 118.9990 56.9834 64.1893 173.5963 39 A 4.3008 8.2465 126.2955 54.3464 18.0678 177.8836 40 G 4.0804 8.7980 111.4171 45.4155 0.0000 173.1821 41 D 4.7845 8.0075 119.7071 54.1326 42.8872 174.7361 42 E 5.4593 8.9451 120.9763 55.2521 34.4472 175.3195 43 G 4.2457 8.2844 106.7106 44.8211 0.0000 170.7572 44 E 5.1607 8.1776 118.9408 53.9667 33.2824 175.4450 45 F 4.1941 9.1144 129.3240 58.9075 39.8237 175.0958 46 R 4.3804 7.8708 124.9273 57.2808 31.2644 176.4195 47 Q 4.4488 6.4502 112.6929 55.7034 32.2221 173.0108 48 S 4.6438 8.6684 114.1628 56.5853 66.4098 172.4372 49 N 5.1522 8.5238 116.6660 51.4833 40.9597 174.8338 50 N 4.5378 9.1601 120.9058 56.4534 38.8747 176.7368 51 G 3.7793 8.0734 104.4101 46.4655 0.0000 173.3700 52 I 4.3968 7.6346 120.8676 58.7518 37.8689 173.6552 53 P 4.7133 0.0000 0.0000 65.0737 31.2649 174.2993 54 P 4.4649 0.0000 0.0000 62.9693 31.6242 176.3845 55 V 3.8368 7.9147 125.6243 60.6449 33.5525 175.1479 56 Q 4.9980 7.8715 122.7619 54.3751 30.1965 175.2592 57 V 4.2647 7.8095 116.3598 59.2624 36.4994 174.5822 58 F 4.3402 8.5162 127.7049 57.3902 40.0557 174.0484 59 W 5.0508 8.4275 127.8282 55.5176 29.8267 178.2509 60 Q 4.0233 8.8319 123.3682 59.0954 28.6442 177.8593 61 S 4.1750 8.1660 111.8950 61.3095 62.4400 174.9456 62 T 3.9493 7.8290 112.2575 62.3163 67.4413 175.0927 63 G 3.7445 8.9562 108.6892 45.5858 0.0000 172.8101 64 R 4.3095 6.7053 114.2990 54.7459 33.2003 173.6696 65 T 4.6479 8.2836 116.7786 63.1144 69.3779 173.8270 66 Y 4.3065 8.6308 126.9764 55.0624 43.1256 174.3029 67 W 4.6282 7.4699 123.4969 56.5289 29.6200 176.1451 68 V 4.4996 8.5912 117.9176 59.5680 35.5168 174.8146 69 H 4.9200 9.1816 122.5237 54.8212 31.1984 176.4547 70 W 4.3444 8.4282 125.2574 60.2763 29.1019 178.1902 71 H 4.6354 8.4746 116.3251 58.8447 29.6063 175.3633 72 M 4.5256 8.2544 117.5500 55.0592 32.5243 174.6474 73 L 4.8838 7.9187 122.6330 54.0033 42.9847 175.2943 74 E 5.4548 9.7838 127.4448 53.5670 33.1208 174.2273 75 I 4.8602 8.6653 117.8742 59.2612 39.2757 175.1178 76 L 4.7647 8.7661 124.7577 53.9916 43.1955 176.6798 77 G 3.7707 8.1315 113.2390 45.8351 0.0000 173.7083 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 14 Y 7.99 4.79 0.00 3.15 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 15 G 8.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.72 0.00 2.01 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 2.32 2.29 0.00 17 Y 7.85 4.02 0.00 3.01 2.93 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 18 V 7.21 2.99 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 0.45 0.00 0.00 1.23 0.00 0.00 19 Q 7.23 2.52 0.00 0.93 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 20 Q 7.21 3.92 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.31 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 21 T 6.85 4.37 3.94 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 0.00 0.00 0.52 0.00 0.00 22 L 7.26 3.85 0.00 1.78 1.20 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.97 4.10 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 7.11 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 24 P 0.00 5.07 0.00 2.07 2.17 0.00 3.57 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 25 G 8.15 3.42 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 0.00 26 M 7.91 4.43 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 27 R 8.34 4.84 0.00 1.82 1.88 0.00 3.47 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 V 8.38 4.72 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 0.69 0.00 0.00 0.40 0.00 0.00 29 R 9.21 5.20 0.00 1.99 1.91 0.00 3.46 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 30 M 9.39 4.84 0.00 2.14 1.18 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.21 0.00 31 L 8.56 4.55 0.00 1.67 1.84 0.97 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.80 4.99 0.00 2.71 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 33 D 8.72 4.62 0.00 2.68 2.63 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 34 Y 8.63 4.33 0.00 2.80 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 35 E 8.90 3.96 0.00 1.85 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 2.52 2.60 0.00 36 E 7.65 4.54 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 37 I 7.14 4.31 1.41 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.26 -0.08 0.00 0.00 38 S 8.04 4.62 0.00 3.83 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.30 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 40 G 8.80 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.01 4.78 0.00 2.86 2.51 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 0.00 0.00 0.00 0.00 42 E 8.95 5.46 0.00 2.01 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 2.51 2.39 0.00 43 G 8.28 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 0.00 0.00 0.00 0.00 44 E 8.18 5.16 0.00 1.96 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 45 F 9.11 4.19 0.00 3.06 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 46 R 7.87 4.38 0.00 1.58 1.81 0.00 3.36 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.44 0.00 47 Q 6.45 4.45 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.31 0.00 0.00 0.00 0.00 0.00 2.00 2.26 0.00 48 S 8.67 4.64 0.00 4.46 4.23 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 49 N 8.52 5.15 0.00 3.09 2.82 0.00 0.00 7.15 8.25 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 50 N 9.16 4.54 0.00 2.76 2.90 0.00 0.00 7.00 7.70 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 51 G 8.07 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.63 4.40 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.95 0.00 0.00 53 P 0.00 4.71 0.00 2.39 2.47 0.00 3.87 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 54 P 0.00 4.46 0.00 2.24 2.23 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 55 V 7.91 3.84 1.06 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 -0.05 0.00 0.00 0.49 0.00 0.00 56 Q 7.87 5.00 0.00 1.80 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.12 0.00 0.00 0.00 0.00 0.00 1.96 1.44 0.00 57 V 7.81 4.26 1.11 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 0.56 0.00 0.00 0.86 0.00 0.00 58 F 8.52 4.34 0.00 3.02 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 59 W 8.43 5.05 0.00 3.18 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 60 Q 8.83 4.02 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.01 0.00 0.00 0.00 0.00 0.00 2.75 2.46 0.00 61 S 8.17 4.18 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.83 3.95 4.31 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 1.23 0.00 0.00 63 G 8.96 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 6.71 4.31 0.00 1.78 1.90 0.00 2.92 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 65 T 8.28 4.65 4.10 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 1.03 0.00 0.00 66 Y 8.63 4.31 0.00 3.01 2.85 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 67 W 7.47 4.63 0.00 2.97 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 68 V 8.59 4.50 1.63 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 0.53 0.00 0.00 1.03 0.00 0.00 69 H 9.18 4.92 0.00 3.30 3.36 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.43 4.34 0.00 3.39 3.30 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 71 H 8.47 4.64 0.00 3.31 3.61 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 M 8.25 4.53 0.00 2.32 2.38 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.57 0.00 73 L 7.92 4.88 0.00 1.96 1.94 1.10 1.15 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 74 E 9.78 5.45 0.00 2.32 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 0.00 2.39 2.37 0.00 75 I 8.67 4.86 1.93 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 1.44 1.01 1.01 0.00 0.00 76 L 8.77 4.76 0.00 1.68 1.74 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.13 3.77 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 0.00 0.00 0.00