NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4905 8.4449 121.7349 56.3694 30.6640 174.7355 4 T 4.1405 8.3263 124.7984 62.2713 69.3625 173.3413 5 R 5.8100 8.1302 123.1478 53.1678 35.2200 174.1040 *7 V 4.0274 8.0057 116.9882 63.2523 32.3418 173.8926 8 Y 4.6367 8.6006 122.9682 55.7512 42.2489 172.6097 9 P 4.7478 0.0000 0.0000 61.6344 33.2638 175.9660 10 V 4.1605 8.6473 124.2169 62.0762 32.3954 175.1519 11 F 5.4443 8.4969 126.7926 55.3400 41.4343 175.2913 12 P 4.2895 0.0000 0.0000 66.0214 31.1827 179.2188 13 G 3.7896 8.2978 105.1739 47.7211 0.0000 173.6032 14 E 4.4925 8.5534 118.5246 56.1480 30.0651 175.6544 15 T 4.8385 7.6204 110.0137 60.0533 70.9853 173.7239 16 N 4.5713 8.3831 120.3715 51.4027 39.1625 175.3162 17 H 4.3645 8.2995 112.0306 57.3164 28.4564 175.4687 18 Y 4.4346 8.2035 118.0580 58.7676 38.4864 176.5659 19 G 4.0111 8.7281 108.8612 45.1739 0.0000 172.5649 20 T 5.1471 7.7377 108.5638 58.7844 72.5441 172.9079 21 L 4.4058 8.8397 125.5908 55.3265 42.6959 176.6485 22 F 4.3403 9.0750 129.6266 58.1787 40.0630 176.2046 23 G 3.2651 8.5127 112.6130 47.7515 0.0000 176.0051 24 G 3.1206 5.3800 107.1066 47.6518 0.0000 175.8163 25 T 3.5362 7.1386 117.5053 65.9632 68.1898 176.7970 26 V 3.4242 6.9715 119.3337 66.0058 31.6669 177.7520 27 L 4.2321 7.7916 117.0910 57.8078 41.7607 179.1084 28 A 4.2070 7.9330 120.6864 54.7851 18.1852 180.1349 29 W 4.5276 7.9429 114.6012 57.6033 28.8007 177.6984 *31 D 3.6706 8.0516 120.8119 54.0917 42.6010 177.3042 32 Q 3.9693 8.2086 119.3186 58.9566 28.9562 178.0558 33 A 3.9661 8.2652 121.8187 55.2423 18.3957 179.5475 34 A 3.9572 7.7310 118.7918 55.0371 18.4648 179.4433 35 F 3.9484 8.5315 119.8130 61.3873 39.4893 177.6230 36 V 3.6670 8.0728 117.6698 65.9710 31.3879 177.8282 37 A 3.9833 8.0911 120.3198 55.1896 18.1433 179.5095 38 A 3.9372 8.2579 119.5361 55.5092 18.3311 179.9813 39 T 3.6395 7.7785 114.2454 66.8845 68.2725 177.1599 40 R 3.8961 7.8146 118.8576 59.2268 30.0896 178.3364 41 H 4.2886 7.8813 116.8777 59.0961 30.0556 176.8923 42 A 4.0937 8.2403 121.3343 52.5213 18.3778 177.5748 43 R 3.8301 8.1463 114.8824 56.7330 28.2790 175.7341 44 K 4.6153 7.5691 114.6873 54.6653 36.5612 175.8273 45 K 4.2295 8.3770 118.9613 56.8283 32.9264 176.8060 46 V 4.9348 8.0185 122.2986 61.3726 35.1421 174.6855 47 V 4.7714 8.4566 116.6525 59.9421 36.3480 174.8731 48 T 4.7607 8.6840 119.9900 63.3425 69.2134 175.1053 49 V 4.4771 8.5504 118.7948 61.9642 34.2301 175.3621 50 H 4.9563 7.9947 118.0943 55.0117 33.1619 172.0602 51 A 4.8968 7.9724 124.4679 50.4378 22.4539 174.5858 52 D 4.2891 8.8261 119.0302 51.5719 43.8881 174.7565 53 A 3.5594 7.9153 118.9727 52.8559 15.8263 176.7021 54 V 4.4624 7.2165 121.0915 61.4301 33.4117 175.5604 55 D 4.8959 8.7974 128.2319 52.5960 43.8598 175.5371 56 F 4.3694 8.8297 122.1467 56.1183 38.7128 175.6373 57 K 4.2454 8.8127 123.6465 58.6420 32.4586 177.9649 58 R 4.7408 7.7879 116.0412 53.3436 33.9699 173.1673 59 P 4.5815 0.0000 0.0000 62.8995 32.8573 175.9754 60 V 4.5031 8.2974 121.4917 60.4620 33.4419 173.1748 61 P 4.7781 0.0000 0.0000 62.1168 32.7636 175.7185 62 L 4.1646 8.2699 123.5039 56.9760 42.3433 177.7271 63 G 4.0268 9.4789 113.7545 45.1913 0.0000 173.3705 64 A 4.4285 7.8367 121.4494 51.6514 20.4934 176.5852 65 I 4.6887 8.2606 120.0803 59.7620 39.3308 175.0061 66 V 4.9206 8.8768 127.4853 60.9964 34.5112 173.7850 67 E 4.9370 9.4957 127.3563 54.4237 32.2317 174.6635 68 L 5.0735 8.6116 126.3008 53.2224 44.5614 175.4139 69 V 4.8630 8.8886 122.6783 61.1199 34.6444 173.7660 70 A 5.3847 9.0798 130.1255 50.3127 21.6898 175.3600 71 R 4.8258 8.9806 120.6880 53.9374 34.3674 174.5349 72 L 4.2243 8.7156 126.2670 55.5290 42.0512 176.1412 73 K 4.5470 9.2279 126.6517 57.9254 33.4005 176.7999 74 E 4.7098 7.8121 114.1754 54.9692 32.2437 174.2077 75 V 4.6562 8.1434 118.9959 61.2078 36.0249 173.1176 76 G 3.9133 8.8417 113.5606 45.9503 0.0000 173.6314 77 R 4.3879 9.1426 123.4454 57.3591 31.9811 176.3214 78 T 4.5848 7.9808 104.8255 60.3802 70.6272 173.6492 79 S 5.8998 7.4683 116.9341 55.9526 65.9085 171.6710 *81 R 4.5130 8.1960 119.1078 56.7608 31.2771 175.0591 82 V 4.8768 9.1188 126.4790 61.0984 34.4685 173.5515 83 E 5.0968 9.2071 129.1386 54.7887 31.6377 174.5336 84 V 4.9043 9.2783 126.5764 61.5083 34.7061 174.0488 85 E 5.1471 8.6437 127.7784 53.8676 33.4642 174.5573 *87 W 4.8704 8.4345 119.0122 57.6716 31.0333 174.7258 88 V 4.4991 8.1004 116.7036 59.9663 33.1745 174.9688 89 E 4.7092 9.1517 126.3756 53.8193 29.6727 174.0392 90 P 4.3196 0.0000 0.0000 63.2429 31.7175 176.8324 91 V 3.8498 8.5638 122.5938 65.0208 32.3799 176.7167 92 K 3.8432 7.6991 120.5185 56.3992 32.4471 175.3371 93 E 4.1458 8.7912 125.9606 57.6507 29.9365 176.9381 94 G 3.8825 8.8693 111.7653 45.9640 0.0000 172.9827 95 E 4.2392 7.8857 120.2273 55.2941 30.5711 176.8549 96 E 4.2143 8.5732 118.8400 58.5997 29.3060 176.6737 97 A 5.1050 8.0333 125.0367 53.0556 20.6877 175.2252 98 Y 5.1651 7.4749 119.3536 55.7859 42.3140 174.3592 99 L 3.3819 8.1915 122.2478 54.5447 42.1832 175.9521 100 A 4.6591 8.3277 127.3617 53.5889 20.7078 176.0910 101 A 4.9758 7.3747 114.0701 52.2510 22.8024 175.3390 102 R 4.7312 8.0172 117.8614 55.6267 33.8755 173.8417 103 G 4.5745 9.2125 111.1564 45.4319 0.0000 171.8843 104 G 4.6129 8.3089 106.9084 44.2329 0.0000 172.3765 105 F 5.2338 9.5031 120.9493 55.3151 43.7937 173.8991 106 V 4.7415 9.2567 121.8771 61.2005 33.9857 174.3756 107 L 5.3284 8.6261 126.7031 52.8975 45.8464 175.3112 108 V 4.9046 8.7572 121.3205 60.9747 34.5140 174.6852 109 A 4.7712 8.8470 129.9371 52.0636 19.5669 176.6339 110 V 5.0054 8.5590 113.9870 59.5642 36.2743 175.5055 111 D 4.7230 9.0453 123.5150 52.0477 40.8278 177.0261 112 E 4.2247 8.5785 116.2933 58.7338 29.4430 177.7144 113 R 4.0382 8.0856 118.2769 56.9335 30.4863 176.7868 114 G 3.9371 8.6728 105.8782 45.4677 0.0000 172.9803 115 R 4.4068 8.6445 121.1637 54.2552 31.6797 173.9804 116 P 4.7928 0.0000 0.0000 63.6206 31.6244 175.6975 117 S 4.9726 9.2038 120.2696 55.6109 66.3968 172.0546 118 P 4.5568 0.0000 0.0000 63.2290 31.7907 175.7611 119 V 4.5785 8.3404 114.6989 58.6393 34.7886 173.9632 120 P 4.3560 0.0000 0.0000 62.1019 31.7293 174.6484 121 P 4.4597 0.0000 0.0000 61.9889 31.9740 176.0916 122 L 4.2425 8.2662 121.9093 54.7172 42.0616 176.4479 123 E 4.2606 8.7445 124.8641 56.5560 29.6235 176.0740 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 3 E 8.44 4.49 0.00 1.99 1.97 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 2.18 2.36 0.00 4 T 8.33 4.14 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 5 R 8.13 5.81 0.00 1.70 1.77 0.00 3.25 0.00 0.00 3.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 *7 V 8.01 4.03 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 0.80 0.00 0.00 0.85 0.00 0.00 8 Y 8.60 4.64 0.00 2.38 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 0.00 0.00 0.00 9 P 0.00 4.75 0.00 0.79 1.77 0.00 3.35 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 10 V 8.65 4.16 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 1.06 0.00 0.00 1.13 0.00 0.00 11 F 8.50 5.44 0.00 3.12 2.86 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 12 P 0.00 4.29 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 13 G 8.30 3.79 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 0.00 0.00 0.00 14 E 8.55 4.49 0.00 2.05 1.77 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 2.39 2.58 0.00 15 T 7.62 4.84 4.37 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 1.28 0.00 0.00 16 N 8.38 4.57 0.00 2.57 2.95 0.00 0.00 7.15 7.49 0.00 0.00 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 H 8.30 4.36 0.00 3.20 3.29 0.00 5.53 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 18 Y 8.20 4.43 0.00 3.03 2.89 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 0.00 0.00 0.00 19 G 8.73 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 20 T 7.74 5.15 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 L 8.84 4.41 0.00 1.65 1.67 0.67 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.08 4.34 0.00 2.97 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 23 G 8.51 3.27 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 0.00 24 G 5.38 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.14 3.54 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 -0.11 0.00 0.00 26 V 6.97 3.42 2.45 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 0.88 0.00 0.00 1.00 0.00 0.00 27 L 7.79 4.23 0.00 1.81 1.80 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.93 4.21 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 29 W 7.94 4.53 0.00 3.37 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 *31 D 8.05 3.67 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 3.97 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 33 A 8.27 3.97 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 34 A 7.73 3.96 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.53 3.95 0.00 3.14 3.20 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 0.00 36 V 8.07 3.67 2.28 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 0.99 0.00 0.00 1.14 0.00 0.00 37 A 8.09 3.98 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 38 A 8.26 3.94 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 39 T 7.78 3.64 4.28 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 1.20 0.00 0.00 40 R 7.81 3.90 0.00 1.79 1.99 0.00 3.15 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 41 H 7.88 4.29 0.00 3.14 3.43 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.24 4.09 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 43 R 8.15 3.83 0.00 1.91 1.98 0.00 3.11 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 44 K 7.57 4.62 0.00 1.65 1.66 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.66 7.81 45 K 8.38 4.23 0.00 1.71 1.75 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.44 7.81 46 V 8.02 4.93 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 0.73 0.00 0.00 0.79 0.00 0.00 47 V 8.46 4.77 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 0.75 0.00 0.00 1.04 0.00 0.00 48 T 8.68 4.76 4.37 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 1.45 0.00 0.00 49 V 8.55 4.48 2.12 0.00 0.00 0.00 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 1.07 0.00 0.00 50 H 7.99 4.96 0.00 3.22 3.10 0.00 5.81 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 51 A 7.97 4.90 0.84 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 0.00 0.00 52 D 8.83 4.29 0.00 2.61 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 53 A 7.92 3.56 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 54 V 7.22 4.46 1.97 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 0.35 0.00 0.00 0.72 0.00 0.00 55 D 8.80 4.90 0.00 2.51 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 4.37 0.00 2.88 3.01 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 57 K 8.81 4.25 0.00 1.65 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.49 7.81 58 R 7.79 4.74 0.00 1.94 1.86 0.00 2.87 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 59 P 0.00 4.58 0.00 2.14 2.09 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 60 V 8.30 4.50 2.17 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 1.03 0.00 0.00 1.01 0.00 0.00 61 P 0.00 4.78 0.00 2.24 2.24 0.00 3.92 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 62 L 8.27 4.16 0.00 1.95 1.70 0.98 1.20 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 63 G 9.48 4.03 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 0.00 0.00 0.00 64 A 7.84 4.43 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 65 I 8.26 4.69 2.06 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 1.26 0.93 0.90 0.00 0.00 66 V 8.88 4.92 2.22 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 1.16 0.00 0.00 1.02 0.00 0.00 67 E 9.50 4.94 0.00 1.92 1.82 0.00 0.00 0.00 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 2.23 0.00 68 L 8.61 5.07 0.00 1.76 1.62 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.89 4.86 2.20 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 0.98 0.00 0.00 0.97 0.00 0.00 70 A 9.08 5.38 1.24 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 0.00 0.00 0.00 71 R 8.98 4.83 0.00 1.74 1.80 0.00 3.17 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 72 L 8.72 4.22 0.00 1.61 1.56 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 73 K 9.23 4.55 0.00 1.75 1.84 0.00 1.67 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.43 7.81 74 E 7.81 4.71 0.00 2.02 1.86 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 2.18 2.29 0.00 75 V 8.14 4.66 2.07 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 0.90 0.00 0.00 0.83 0.00 0.00 76 G 8.84 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 77 R 9.14 4.39 0.00 1.83 1.88 0.00 3.14 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 T 7.98 4.58 4.34 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 1.20 0.00 0.00 79 S 7.47 5.90 0.00 4.02 4.07 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 *81 R 8.20 4.51 0.00 1.96 1.91 0.00 3.32 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 82 V 9.12 4.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 83 E 9.21 5.10 0.00 2.11 1.83 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 2.29 2.27 0.00 84 V 9.28 4.90 2.27 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 1.06 0.00 0.00 0.95 0.00 0.00 85 E 8.64 5.15 0.00 2.17 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 0.00 2.20 2.17 0.00 *87 W 8.43 4.87 0.00 3.25 3.15 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 0.00 0.00 0.00 88 V 8.10 4.50 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 0.03 0.00 0.00 0.59 0.00 0.00 89 E 9.15 4.71 0.00 1.78 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 2.24 2.29 0.00 90 P 0.00 4.32 0.00 2.15 2.33 0.00 3.87 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 2.25 2.26 0.00 91 V 8.56 3.85 2.12 0.00 0.00 0.00 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 0.97 0.00 0.00 92 K 7.70 3.84 0.00 1.97 1.72 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.43 7.81 93 E 8.79 4.15 0.00 1.96 1.86 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 2.31 2.39 0.00 94 G 8.87 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.89 4.24 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 2.41 2.34 0.00 96 E 8.57 4.21 0.00 2.23 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 0.00 2.38 2.39 0.00 97 A 8.03 5.10 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 98 Y 7.47 5.17 0.00 2.99 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 99 L 8.19 3.38 0.00 0.27 1.10 0.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.33 4.66 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.37 4.98 0.99 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 0.00 0.00 102 R 8.02 4.73 0.00 1.74 1.60 0.00 3.17 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 103 G 9.21 4.57 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 0.00 0.00 0.00 104 G 8.31 4.61 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 0.00 105 F 9.50 5.23 0.00 3.00 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 0.00 106 V 9.26 4.74 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 1.10 0.00 0.00 0.98 0.00 0.00 107 L 8.63 5.33 0.00 1.65 1.54 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.76 4.90 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 1.01 0.00 0.00 0.95 0.00 0.00 109 A 8.85 4.77 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 0.00 110 V 8.56 5.01 1.97 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 0.81 0.00 0.00 0.98 0.00 0.00 111 D 9.05 4.72 0.00 2.85 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 0.00 112 E 8.58 4.22 0.00 2.10 2.14 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 2.28 2.31 0.00 113 R 8.09 4.04 0.00 1.78 2.22 0.00 3.29 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 114 G 8.67 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 0.00 0.00 0.00 0.00 115 R 8.64 4.41 0.00 1.86 2.25 0.00 3.12 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 116 P 0.00 4.79 0.00 1.98 2.01 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 117 S 9.20 4.97 0.00 3.67 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 0.00 118 P 0.00 4.56 0.00 2.07 2.05 0.00 3.70 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 1.98 2.00 0.00 119 V 8.34 4.58 2.13 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 0.76 0.00 0.00 1.02 0.00 0.00 120 P 0.00 4.36 0.00 1.87 1.94 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 121 P 0.00 4.46 0.00 2.05 2.00 0.00 3.67 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 2.03 2.07 0.00 122 L 8.27 4.24 0.00 1.59 1.59 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.74 4.26 0.00 2.01 1.84 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 2.26 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.