NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3927 8.2893 118.2950 55.6363 33.1252 174.0162 2 Q 4.3656 8.0350 114.6982 53.9363 31.4212 171.4943 3 P 4.6956 0.0000 0.0000 62.0414 32.7243 177.5740 4 A 4.2206 8.6146 125.9056 51.6216 19.1754 177.7119 5 S 4.9177 8.5745 115.7759 58.9269 64.6465 172.9688 6 A 5.7813 9.7821 122.8203 50.8458 22.9153 175.2359 7 K 5.9955 8.9531 118.8231 54.1234 36.5081 174.8683 8 W 5.9620 8.3536 117.2326 55.7056 32.2994 172.8292 9 Y 4.9338 8.6421 118.0399 56.5550 41.1974 172.4733 10 D 5.2765 8.2951 118.0327 52.0061 42.7564 174.6021 11 R 4.3047 8.9525 118.6688 53.7944 33.7887 176.4501 12 R 2.0000 7.5678 117.2917 58.9804 29.6994 177.6953 13 D 4.5480 7.6413 114.2737 54.0647 42.4748 175.1574 14 Y 4.6040 7.2086 116.3734 55.8768 42.5757 174.2662 15 V 4.2902 8.1322 122.4470 60.9513 34.3915 174.2180 16 F 5.1667 9.2139 126.1955 55.6215 41.9465 174.3493 17 I 5.0228 8.5871 123.6357 59.3997 40.7972 173.8426 18 E 4.9055 9.1712 128.3829 54.3908 32.1062 174.3443 19 F 4.9079 8.8687 126.5828 56.4389 40.7133 175.1599 20 C 4.7191 8.9695 123.3770 58.6259 27.5255 172.4422 21 V 4.4480 7.9464 122.1500 60.6532 33.7365 174.5486 22 E 4.2491 9.1381 129.1995 56.5926 30.4583 176.1506 23 D 4.3792 8.8679 125.2942 55.4108 38.9819 173.8470 24 S 4.8208 7.6153 112.9125 58.1651 64.7328 173.8951 25 K 4.5709 8.6415 119.8264 56.2200 35.7745 175.2570 26 D 4.5040 8.7937 115.4139 54.8414 38.4535 173.7876 27 V 3.5791 7.8532 117.6446 63.6887 32.3086 174.8804 28 N 4.6556 8.9902 126.1529 52.2139 41.8368 172.7802 29 V 4.5113 8.1852 126.6430 60.9472 33.6820 174.0762 30 N 4.7397 8.9913 127.5206 51.8378 40.9012 173.0705 31 F 5.1262 8.6261 125.7406 56.5494 40.0398 175.1609 32 E 4.7667 9.0927 124.4229 53.5613 32.5667 175.4515 33 K 4.2306 8.7916 122.7211 59.3174 32.2836 177.7484 34 S 4.9887 8.0184 109.8839 57.4507 64.9285 173.1567 35 K 5.1891 7.9000 120.1792 55.4216 36.0878 174.2694 36 L 5.3150 8.9857 126.4502 53.6448 45.7763 175.1232 37 T 5.0773 8.7600 122.0540 61.7067 72.0267 172.5570 38 F 5.1600 9.2863 129.1900 56.2155 42.2968 173.9471 39 S 4.9367 7.8804 119.1674 56.1967 66.9142 172.4196 40 C 4.9979 7.3834 114.2982 58.5408 32.1519 171.8258 41 L 5.1031 8.5063 119.3452 52.9485 44.1254 176.0990 42 G 4.3368 9.2003 110.0039 45.4271 0.0000 174.3939 43 G 4.4093 8.7330 113.8234 44.4244 0.0000 174.2675 44 S 4.3348 8.4848 111.7542 59.7795 63.1519 174.2068 45 D 4.6060 8.0783 119.6551 53.3898 41.4577 175.2410 46 N 4.1302 7.8488 113.4129 54.6582 36.7918 174.8035 47 F 4.2034 8.4932 120.8288 58.1395 40.9403 174.8484 48 K 4.5486 7.9972 126.1863 56.3306 33.5503 175.5485 49 H 5.5801 8.9499 121.8118 53.1200 32.3932 172.9930 50 L 4.8665 8.1765 123.2591 53.7961 45.6254 174.0316 51 N 4.9560 9.4938 123.8800 51.3524 41.8868 173.3691 52 E 5.3893 8.8659 122.4795 54.5872 33.3721 175.0966 53 I 4.8582 8.7143 117.1809 59.3139 41.6923 173.9453 54 D 5.1137 8.7705 125.2246 53.9543 41.9176 175.8180 55 L 4.6966 8.7302 124.5905 54.5292 42.1410 177.0253 56 F 4.2328 8.9557 126.0444 61.2665 39.4590 174.8813 57 H 4.7253 6.2281 112.4520 53.1639 32.1248 173.5291 58 C 4.7393 8.5658 115.1684 58.5284 30.9650 172.2754 59 I 5.1380 8.9432 114.2405 59.4053 41.0612 174.6277 60 D 4.5939 9.0137 122.4995 52.0913 40.9518 174.8125 61 P 4.2250 0.0000 0.0000 65.6767 31.5413 178.4734 62 N 4.6068 7.9513 112.6706 54.8140 38.4995 174.8997 63 D 4.9327 7.9927 116.9876 53.8203 42.2666 175.3030 64 S 4.8397 7.6470 112.5930 56.6483 65.3142 173.2049 65 K 5.0775 8.3765 120.9838 56.3408 36.5205 174.0886 66 H 5.7218 8.7782 114.4563 53.9629 31.6222 172.7744 67 K 4.7791 9.4137 119.5054 55.1733 35.5906 174.7986 68 R 5.3002 8.6605 121.7590 55.0906 32.9901 174.2514 69 T 4.7820 8.7930 113.5987 60.0420 72.3477 174.2225 70 D 4.3117 8.6724 119.6149 56.5100 39.7640 178.3535 71 R 4.4828 7.8107 118.1946 57.8292 32.3159 176.1065 72 S 4.8860 7.2578 111.2145 58.1343 67.2791 174.7116 73 I 4.9752 8.5789 120.4209 59.6886 40.0484 174.7018 74 L 4.9931 9.0798 130.4727 53.8801 43.8256 174.7471 75 C 5.3747 9.5289 124.5430 58.3396 31.0423 172.3539 76 C 4.3148 9.5280 124.0125 57.6310 33.4374 172.2317 77 L 4.5819 8.3701 127.6901 52.8410 43.6617 175.9946 78 R 3.8043 8.4307 125.2585 55.2803 31.1571 175.7976 79 K 4.1856 8.3875 127.3521 56.6319 32.5092 178.5462 80 G 3.7420 9.0108 112.4432 48.6690 0.0000 173.3927 81 E 4.5624 8.1296 121.0460 54.1060 32.2743 174.2426 82 S 4.3501 8.1320 120.2619 59.3129 62.6361 174.5549 83 G 4.0503 8.5076 114.5317 45.2292 0.0000 173.4798 84 Q 3.9916 7.8383 120.3663 56.8110 29.4041 176.0547 85 S 4.9416 8.9365 119.3451 57.0438 63.2435 173.5672 86 W 4.7232 9.0942 128.4701 54.2066 29.1443 173.5041 87 P 4.5727 0.0000 0.0000 64.7700 31.2807 176.6200 88 R 4.8264 6.8955 113.2132 54.8377 32.4005 174.0589 89 L 4.1471 7.8508 119.2092 56.4041 43.1226 176.1220 90 T 4.9811 7.4683 107.5637 59.8072 70.6658 175.0872 91 K 4.0905 8.8046 124.6475 59.5834 32.3965 177.2462 92 E 4.5791 7.9906 117.0823 55.0337 31.0033 176.6034 93 R 3.9892 8.5451 119.7848 58.7707 30.5246 177.6733 94 A 3.9063 7.9600 119.1530 52.4596 18.6692 176.9478 95 K 4.2899 8.4028 121.2101 55.8983 34.4481 176.0488 96 L 4.5570 7.8318 120.5797 52.7722 43.3562 177.3441 97 N 4.5609 8.7836 120.5815 54.2080 37.7181 175.4050 98 W 4.7788 7.6004 115.2775 56.0912 29.3851 174.5620 99 L 5.3225 7.0726 121.8411 53.4801 43.3251 175.4011 100 S 4.7821 8.9405 119.2074 56.6181 67.1437 173.2033 101 V 3.3405 7.9682 120.6791 62.6784 32.1590 175.9644 102 D 4.5054 8.6722 128.1413 53.0010 39.5966 176.6460 103 F 4.3697 8.0574 123.6277 59.2720 39.4497 176.6160 104 N 4.4753 8.0951 118.6283 55.5172 38.7971 175.0317 105 N 4.5400 7.7086 112.1952 52.1365 40.2804 174.6178 106 W 4.1670 7.6641 128.6066 57.5254 31.3161 175.1162 107 K 4.5932 7.0732 121.9122 55.5264 36.0041 176.5307 108 D 4.6430 8.5208 122.6333 51.5922 39.4042 177.6199 109 W 4.3752 7.5780 117.0516 58.3039 28.7855 176.8958 110 E 4.1619 6.8107 121.0694 56.1605 29.0803 175.5343 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 8.29 4.39 0.00 1.84 2.05 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 2 Q 8.03 4.37 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 3 P 0.00 4.70 0.00 1.47 0.69 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 4 A 8.61 4.22 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 5 S 8.57 4.92 0.00 4.07 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 6 A 9.78 5.78 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 7 K 8.95 6.00 0.00 1.89 1.91 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 8 W 8.35 5.96 0.00 3.62 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 9 Y 8.64 4.93 0.00 3.02 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 10 D 8.30 5.28 0.00 2.64 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 11 R 8.95 4.30 0.00 1.82 1.68 0.00 3.28 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 12 R 7.57 2.00 0.00 1.30 1.56 0.00 3.08 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.34 0.00 13 D 7.64 4.55 0.00 2.59 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 0.00 0.00 0.00 14 Y 7.21 4.60 0.00 2.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.29 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.50 0.00 0.00 16 F 9.21 5.17 0.00 1.66 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 17 I 8.59 5.02 1.80 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.90 0.43 0.00 0.00 18 E 9.17 4.91 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 19 F 8.87 4.91 0.00 2.42 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.97 4.72 0.00 2.91 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 21 V 7.95 4.45 2.25 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 0.90 0.00 0.00 1.03 0.00 0.00 22 E 9.14 4.25 0.00 2.03 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 2.31 2.56 0.00 23 D 8.87 4.38 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.62 4.82 0.00 4.07 3.98 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 0.00 0.00 0.00 25 K 8.64 4.57 0.00 1.90 1.91 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.39 7.81 26 D 8.79 4.50 0.00 2.79 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 27 V 7.85 3.58 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 0.78 0.00 0.00 1.00 0.00 0.00 28 N 8.99 4.66 0.00 2.56 2.36 0.00 0.00 6.35 7.26 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 29 V 8.19 4.51 1.65 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 0.01 0.00 0.00 0.78 0.00 0.00 30 N 8.99 4.74 0.00 2.71 2.56 0.00 0.00 6.74 7.75 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 31 F 8.63 5.13 0.00 3.02 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 32 E 9.09 4.77 0.00 1.99 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 2.24 2.28 0.00 33 K 8.79 4.23 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.63 7.81 34 S 8.02 4.99 0.00 3.88 3.98 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 0.00 0.00 0.00 35 K 7.90 5.19 0.00 1.85 1.67 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 36 L 8.99 5.31 0.00 1.98 1.62 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.76 5.08 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 1.12 0.00 0.00 38 F 9.29 5.16 0.00 2.45 2.03 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 39 S 7.88 4.94 0.00 3.59 3.59 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 0.00 0.00 0.00 0.00 40 C 7.38 5.00 0.00 3.02 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 41 L 8.51 5.10 0.00 1.56 1.59 0.97 0.79 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 42 G 9.20 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 0.00 0.00 0.00 0.00 43 G 8.73 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 0.00 0.00 0.00 0.00 44 S 8.48 4.33 0.00 4.00 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 45 D 8.08 4.61 0.00 2.69 2.78 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 46 N 7.85 4.13 0.00 2.88 2.82 0.00 0.00 6.85 7.13 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 47 F 8.49 4.20 0.00 3.10 2.96 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 0.00 0.00 0.00 48 K 8.00 4.55 0.00 1.44 1.49 0.00 1.51 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.38 1.31 7.81 49 H 8.95 5.58 0.00 3.05 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.18 4.87 0.00 1.57 1.34 0.79 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 51 N 9.49 4.96 0.00 2.42 2.36 0.00 0.00 6.32 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 52 E 8.87 5.39 0.00 1.84 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 2.19 2.25 0.00 53 I 8.71 4.86 2.01 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.99 1.39 0.00 0.00 54 D 8.77 5.11 0.00 2.73 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 55 L 8.73 4.70 0.00 1.71 1.97 1.15 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.96 4.23 0.00 2.75 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 0.00 0.00 0.00 0.00 57 H 6.23 4.73 0.00 1.59 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 8.57 4.74 0.00 3.02 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 59 I 8.94 5.14 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.78 1.08 0.00 0.00 60 D 9.01 4.59 0.00 2.62 2.50 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 61 P 0.00 4.22 0.00 2.27 2.34 0.00 3.65 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 62 N 7.95 4.61 0.00 2.65 2.87 0.00 0.00 6.79 8.00 0.00 0.00 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 D 7.99 4.93 0.00 2.72 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 64 S 7.65 4.84 0.00 2.72 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 65 K 8.38 5.08 0.00 1.85 1.91 0.00 1.25 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 66 H 8.78 5.72 0.00 3.41 3.52 0.00 5.46 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 9.41 4.78 0.00 1.82 1.97 0.00 1.28 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 R 8.66 5.30 0.00 1.93 1.88 0.00 3.25 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 69 T 8.79 4.78 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 70 D 8.67 4.31 0.00 2.79 2.78 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 71 R 7.81 4.48 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 72 S 7.26 4.89 0.00 3.94 3.99 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 73 I 8.58 4.98 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.90 1.22 0.00 0.00 74 L 9.08 4.99 0.00 1.85 1.64 1.15 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 75 C 9.53 5.37 0.00 3.17 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 76 C 9.53 4.31 0.00 2.90 2.70 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 L 8.37 4.58 0.00 1.31 1.39 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.43 3.80 0.00 1.87 1.61 0.00 3.00 0.00 0.00 2.79 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.88 0.00 79 K 8.39 4.19 0.00 1.59 1.96 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.20 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.11 1.17 7.81 80 G 9.01 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 81 E 8.13 4.56 0.00 2.07 1.74 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 2.21 2.23 0.00 82 S 8.13 4.35 0.00 3.80 3.73 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 G 8.51 4.05 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 0.00 0.00 0.00 84 Q 7.84 3.99 0.00 2.45 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 85 S 8.94 4.94 0.00 4.04 3.96 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 0.00 0.00 0.00 86 W 9.09 4.72 0.00 3.60 3.59 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 0.00 0.00 0.00 0.00 87 P 0.00 4.57 0.00 2.06 2.16 0.00 2.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.70 0.00 88 R 6.90 4.83 0.00 1.78 1.83 0.00 3.04 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.41 0.00 89 L 7.85 4.15 0.00 0.27 0.99 0.66 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 T 7.47 4.98 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 1.11 0.00 0.00 91 K 8.80 4.09 0.00 1.87 1.87 0.00 1.51 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 92 E 7.99 4.58 0.00 2.00 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 2.27 2.27 0.00 93 R 8.55 3.99 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 94 A 7.96 3.91 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 95 K 8.40 4.29 0.00 1.82 1.78 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.38 7.81 96 L 7.83 4.56 0.00 0.94 0.68 0.55 0.59 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 97 N 8.78 4.56 0.00 2.90 2.99 0.00 0.00 6.09 8.88 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 98 W 7.60 4.78 0.00 3.64 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 99 L 7.07 5.32 0.00 0.39 0.94 1.05 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.94 4.78 0.00 3.89 3.92 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 0.00 101 V 7.97 3.34 0.70 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 -0.81 0.00 0.00 0.28 0.00 0.00 102 D 8.67 4.51 0.00 2.73 2.70 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 0.00 103 F 8.06 4.37 0.00 3.04 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 0.00 104 N 8.10 4.48 0.00 2.66 3.00 0.00 0.00 6.99 9.04 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 0.00 105 N 7.71 4.54 0.00 1.53 1.42 0.00 0.00 6.85 7.68 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 0.00 106 W 7.66 4.17 0.00 3.40 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 0.00 107 K 7.07 4.59 0.00 1.69 1.64 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.40 7.81 108 D 8.52 4.64 0.00 2.75 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 0.00 109 W 7.58 4.38 0.00 3.53 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 0.00 110 E 6.81 4.16 0.00 1.86 1.12 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 1.82 1.90 0.00