NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5931 8.3649 120.5293 54.0856 42.2906 174.4231 2 I 4.0272 8.1761 123.5951 59.7707 38.1389 170.0205 3 V 4.4784 9.8016 128.1364 61.0987 34.8592 173.7787 4 L 5.1602 8.4169 124.9930 53.3156 44.3142 176.0285 5 T 4.4364 9.2202 121.4742 62.3280 69.6881 173.3562 6 Q 5.2722 8.6153 128.3167 54.8530 30.8266 174.6095 7 S 4.8669 8.9142 119.0521 56.5903 67.0309 172.1361 8 P 4.9839 0.0000 0.0000 61.9327 32.6619 175.9749 9 A 4.2799 8.4830 119.1458 54.7235 19.2306 177.4717 10 S 5.1330 7.8642 107.0235 57.0699 66.2569 173.5612 11 L 4.8246 9.0371 123.2762 53.3299 46.1826 175.2430 12 S 5.4083 8.8765 119.1099 56.8794 64.8878 173.2909 13 A 5.0024 9.3376 125.8950 50.5282 23.1753 174.8329 14 S 5.1460 9.1750 115.1127 56.6225 65.6847 174.4951 15 V 4.0066 8.3508 122.1059 64.4925 31.9072 176.1125 16 G 4.0060 9.4535 115.7031 45.2732 0.0000 173.4402 17 E 4.4157 8.0101 118.9595 56.3874 31.2034 175.7465 18 T 4.9906 8.2535 117.1945 62.0668 71.4911 173.9725 19 V 4.5565 8.5463 117.6029 59.9298 36.4608 174.4557 20 T 4.9397 8.3900 118.5500 61.8113 71.8239 173.4677 21 I 4.6403 8.6972 126.3289 59.7500 40.4999 174.9138 22 T 5.3525 8.9651 117.4403 60.5718 72.1472 173.1430 23 C 5.4309 9.6862 119.8963 55.6896 40.6526 172.9041 24 R 5.2760 9.0955 125.1311 54.5527 31.5570 174.8595 25 A 4.9891 9.2284 128.9853 51.1919 20.1751 178.0291 26 S 4.1167 9.0836 115.5741 59.9954 63.6886 174.0484 27 G 4.1405 7.4558 108.1860 43.7760 0.0000 171.8066 28 N 4.5894 8.6192 118.7825 53.4397 39.3257 174.5762 29 I 4.2256 8.3378 118.2903 60.1280 38.3947 175.2098 30 H 4.0210 9.3350 117.3877 57.4475 26.5269 175.6241 31 N 4.6321 8.2275 113.2983 54.0608 37.7034 174.5703 32 Y 4.7945 7.7026 117.7241 56.8568 36.7258 172.9938 33 L 5.1817 7.8470 122.7462 53.1366 46.2834 174.3453 34 A 5.3882 9.1070 127.0731 49.9807 22.7491 174.7796 35 W 5.3914 9.0679 118.5657 55.2717 33.1710 174.5457 36 Y 5.3699 9.6702 119.5435 56.4445 42.3007 173.9813 37 Q 4.8345 9.1569 122.5767 54.2836 32.5686 174.0074 38 Q 4.8234 9.5634 127.3208 54.4099 32.0152 174.2083 39 K 4.7346 8.6052 125.3517 54.8023 35.1227 175.4904 40 Q 3.8742 8.5284 122.0429 56.3973 27.8460 178.0236 41 G 3.8878 8.7445 114.6943 46.2332 0.0000 171.7742 42 K 4.6698 7.6496 115.7142 54.2825 36.7307 177.1178 43 S 4.3707 8.3162 116.3650 57.6660 63.4901 172.6367 44 P 4.7359 0.0000 0.0000 62.8067 32.2474 175.6839 45 Q 4.7046 9.2607 122.6907 53.9448 32.3441 174.2407 46 L 4.1132 8.9679 128.5968 55.8378 42.4535 175.3765 47 L 4.5348 9.0544 125.4944 55.8591 44.0643 176.6011 48 V 5.0679 7.6273 117.5126 61.2651 35.4671 173.2699 49 Y 5.1045 8.5908 124.5684 54.6227 42.3244 173.9792 50 Y 4.2125 9.5256 116.5203 57.8321 37.5554 172.8800 51 T 3.9572 8.4322 120.9055 64.0423 68.4392 174.3434 52 T 4.4706 7.7752 106.9440 61.2178 70.4774 173.9093 53 T 3.9944 7.4742 119.9904 62.8130 69.0494 174.4454 54 L 4.6063 8.4211 126.7806 54.6135 42.7101 177.0441 55 A 4.6261 9.2791 124.5712 51.0951 20.2740 176.8460 56 D 4.5573 8.6117 119.2115 56.0664 41.2734 177.6898 57 G 3.9994 8.9288 111.5566 45.3747 0.0000 173.7446 58 V 3.8272 7.4576 120.4209 61.3874 32.2210 174.0393 59 P 4.4678 0.0000 0.0000 62.8576 31.5953 177.1292 60 S 4.4500 8.6129 114.3710 59.7033 63.1787 175.0757 61 R 3.9485 7.8580 117.9441 57.7215 29.7203 175.4688 62 F 5.0783 7.7196 118.5231 56.2442 40.2671 175.5782 63 S 4.6503 9.2171 118.2156 56.5375 66.3038 173.1368 64 G 4.6932 8.9800 109.8059 43.9337 0.0000 172.1714 65 S 4.5903 8.7814 116.2702 58.0069 67.2703 175.7410 66 G 3.7720 9.0846 116.9639 45.7302 0.0000 175.6221 67 S 4.5014 7.5949 112.5889 60.0227 64.4440 172.1548 68 G 4.0296 9.1761 112.7311 46.7472 0.0000 174.5300 69 T 4.8711 8.8872 114.9829 60.7788 72.1311 174.4299 70 Q 5.1303 7.6473 123.8430 54.6225 31.5131 173.7688 71 Y 5.1906 9.5312 123.5049 56.4843 42.2729 174.7438 72 S 5.3319 9.4312 117.3035 56.8714 68.0826 172.6127 73 L 4.5876 8.2736 124.5301 52.8145 44.4388 174.9462 74 K 4.8601 8.9359 127.3602 54.5137 35.6344 174.5874 75 I 4.4545 8.4046 127.1651 59.5154 39.9898 174.1052 76 N 4.8017 8.8171 125.4444 51.9937 39.7267 175.8938 77 S 3.8679 8.7549 116.6824 57.9346 60.2180 171.8450 78 L 4.0318 8.5219 122.3102 55.6558 41.4913 177.6138 79 Q 4.8487 8.7220 120.7300 53.4889 30.6762 174.8154 80 P 4.7168 0.0000 0.0000 66.1491 31.4003 178.0346 81 E 4.4719 8.1625 112.2986 57.3371 29.9019 177.0971 82 D 4.8614 8.3297 120.4687 56.7762 41.3186 177.2450 83 F 4.4589 7.6655 116.1788 57.6329 39.8317 176.2324 84 G 3.7716 7.5077 109.5190 44.9743 0.0000 172.1454 85 S 5.3223 8.4531 116.2795 57.0325 66.2870 173.1889 86 Y 5.3164 8.6324 119.1050 56.6451 41.8171 174.2751 87 Y 5.5484 9.4367 120.1441 56.4977 42.7267 171.9817 88 C 5.0542 8.8801 117.3028 53.8441 45.8134 172.4314 89 Q 4.7132 8.4186 120.5093 54.7689 32.3659 173.5270 90 H 5.2543 8.0053 120.5573 54.0395 29.9080 174.3432 91 F 4.7556 9.0646 114.7800 57.3915 41.0143 177.1513 92 A 4.1067 8.9800 124.2168 54.4360 18.4947 178.0012 93 S 4.5467 6.5812 105.4633 58.7528 66.7933 175.7125 94 T 4.5771 8.3380 109.8537 59.2756 70.6738 172.0643 95 P 4.4471 0.0000 0.0000 62.3661 32.4481 176.2054 96 R 3.8205 7.9932 119.3841 56.0426 31.3082 175.5230 97 T 4.6909 7.2300 108.7657 60.4660 72.7196 172.1519 98 F 5.0672 8.7116 119.7971 55.4073 42.2927 175.3459 99 G 4.0305 9.4234 108.4601 45.3972 0.0000 175.2728 100 G 3.6188 8.8075 108.5377 46.6225 0.0000 175.0845 101 G 3.6869 8.3932 105.9395 45.7965 0.0000 173.0359 102 T 4.8517 8.3265 116.5710 61.4673 72.8235 172.9976 103 K 4.7133 9.0899 125.9035 54.8961 34.2964 175.0282 104 L 5.2287 9.4720 128.6416 53.4919 43.8329 175.0162 105 E 5.2264 9.6148 123.8280 54.1479 33.8173 174.9312 106 I 3.8445 7.8918 121.4411 61.2871 37.6343 176.1931 107 K 4.2034 8.6581 127.8602 56.6538 31.6789 176.4188 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 D 8.36 4.59 0.00 2.68 2.67 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 0.00 0.00 0.00 2 I 8.18 4.03 1.63 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.83 0.00 0.00 3 V 9.80 4.48 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 1.08 0.00 0.00 0.93 0.00 0.00 4 L 8.42 5.16 0.00 1.52 1.51 0.82 0.74 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 5 T 9.22 4.44 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 1.25 0.00 0.00 6 Q 8.62 5.27 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.77 0.00 7 S 8.91 4.87 0.00 3.94 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 8 P 0.00 4.98 0.00 2.38 2.15 0.00 3.80 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 2.06 1.98 0.00 9 A 8.48 4.28 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 10 S 7.86 5.13 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.04 4.82 0.00 1.78 1.53 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.88 5.41 0.00 3.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.34 5.00 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 14 S 9.18 5.15 0.00 3.96 3.82 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 0.00 0.00 0.00 15 V 8.35 4.01 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 0.91 0.00 0.00 1.17 0.00 0.00 16 G 9.45 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 17 E 8.01 4.42 0.00 2.11 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 2.31 2.33 0.00 18 T 8.25 4.99 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 19 V 8.55 4.56 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 0.69 0.00 0.00 0.73 0.00 0.00 20 T 8.39 4.94 4.18 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 1.15 0.00 0.00 21 I 8.70 4.64 1.50 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 1.23 0.00 0.00 22 T 8.97 5.35 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 1.26 0.00 0.00 23 C 9.69 5.43 0.00 2.81 2.90 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 24 R 9.10 5.28 0.00 2.14 1.83 0.00 3.11 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 25 A 9.23 4.99 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 S 9.08 4.12 0.00 3.87 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 27 G 7.46 4.14 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 0.00 28 N 8.62 4.59 0.00 2.65 2.67 0.00 0.00 6.89 7.94 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 29 I 8.34 4.23 1.85 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.79 0.00 0.00 30 H 9.33 4.02 0.00 3.64 3.59 0.00 5.75 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.23 4.63 0.00 2.51 1.58 0.00 0.00 6.96 7.10 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 32 Y 7.70 4.79 0.00 3.33 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 33 L 7.85 5.18 0.00 1.08 1.05 0.38 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.11 5.39 1.25 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 35 W 9.07 5.39 0.00 3.24 3.19 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 0.00 0.00 0.00 0.00 36 Y 9.67 5.37 0.00 3.17 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 37 Q 9.16 4.83 0.00 2.02 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.03 1.52 0.00 38 Q 9.56 4.82 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 39 K 8.61 4.73 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.29 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.44 7.81 40 Q 8.53 3.87 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 41 G 8.74 3.89 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 0.00 0.00 0.00 42 K 7.65 4.67 0.00 1.74 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.55 7.81 43 S 8.32 4.37 0.00 3.86 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 44 P 0.00 4.74 0.00 1.82 1.96 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 45 Q 9.26 4.70 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 46 L 8.97 4.11 0.00 1.80 1.63 0.69 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.05 4.53 0.00 1.72 1.45 0.61 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.63 5.07 2.33 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 1.25 0.00 0.00 0.92 0.00 0.00 49 Y 8.59 5.10 0.00 3.03 2.94 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 50 Y 9.53 4.21 0.00 3.20 2.90 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 51 T 8.43 3.96 4.14 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 1.37 0.00 0.00 52 T 7.78 4.47 4.21 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 1.24 0.00 0.00 53 T 7.47 3.99 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 0.91 0.00 0.00 54 L 8.42 4.61 0.00 1.51 1.62 0.97 1.06 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 55 A 9.28 4.63 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 56 D 8.61 4.56 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 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 0.00 0.00 0.00 58 V 7.46 3.83 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 0.75 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.47 0.00 2.35 2.25 0.00 3.89 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.18 0.00 60 S 8.61 4.45 0.00 4.00 4.04 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 61 R 7.86 3.95 0.00 1.98 2.07 0.00 2.86 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.00 62 F 7.72 5.08 0.00 3.08 2.95 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 0.00 0.00 0.00 63 S 9.22 4.65 0.00 3.77 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 64 G 8.98 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 4.59 0.00 3.81 3.89 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 66 G 9.08 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 67 S 7.59 4.50 0.00 3.92 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 68 G 9.18 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 69 T 8.89 4.87 4.52 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 1.29 0.00 0.00 70 Q 7.65 5.13 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 71 Y 9.53 5.19 0.00 3.19 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 72 S 9.43 5.33 0.00 3.67 3.65 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 73 L 8.27 4.59 0.00 0.27 0.28 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.94 4.86 0.00 1.66 1.45 0.00 1.53 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.15 1.32 7.81 75 I 8.40 4.45 1.51 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.24 0.09 0.00 0.00 76 N 8.82 4.80 0.00 2.38 2.62 0.00 0.00 7.12 7.57 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 77 S 8.75 3.87 0.00 3.87 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 78 L 8.52 4.03 0.00 1.59 1.50 0.40 0.62 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 79 Q 8.72 4.85 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 80 P 0.00 4.72 0.00 2.27 2.25 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 81 E 8.16 4.47 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 2.37 2.35 0.00 82 D 8.33 4.86 0.00 2.51 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 83 F 7.67 4.46 0.00 3.08 3.14 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 84 G 7.51 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 85 S 8.45 5.32 0.00 3.73 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 8.63 5.32 0.00 3.03 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 87 Y 9.44 5.55 0.00 3.28 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 88 C 8.88 5.05 0.00 1.85 1.21 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 89 Q 8.42 4.71 0.00 1.38 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.71 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 90 H 8.01 5.25 0.00 3.11 3.11 0.00 5.56 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.06 4.76 0.00 3.08 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 92 A 8.98 4.11 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 93 S 6.58 4.55 0.00 3.89 3.84 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 94 T 8.34 4.58 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 1.18 0.00 0.00 95 P 0.00 4.45 0.00 2.15 2.05 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.19 0.00 96 R 7.99 3.82 0.00 1.43 1.22 0.00 3.18 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.18 0.00 97 T 7.23 4.69 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 1.21 0.00 0.00 98 F 8.71 5.07 0.00 2.85 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 99 G 9.42 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 0.00 100 G 8.81 3.62 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 0.00 0.00 0.00 101 G 8.39 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.33 4.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 103 K 9.09 4.71 0.00 1.78 1.79 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.44 7.81 104 L 9.47 5.23 0.00 1.89 2.02 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.61 5.23 0.00 1.97 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 2.46 2.30 0.00 106 I 7.89 3.84 1.58 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.69 0.00 0.00 107 K 8.66 4.20 0.00 1.93 1.72 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.41 7.81