NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8614 8.4449 117.8354 56.2790 29.9308 172.8794 1D H 4.5215 8.8677 120.4746 55.7861 29.6016 172.8271 1E H 5.1004 7.5955 115.4019 53.5969 33.5788 171.8676 1F H 4.6209 8.9170 116.8733 56.0068 28.9186 174.5804 1G F 4.8049 8.4804 118.4015 57.7897 40.0964 173.9271 2 N 4.5434 8.5031 117.3165 52.5500 38.7331 174.2137 3 L 4.7969 8.1494 123.4785 52.2403 43.8274 174.5175 4 P 4.6099 0.0000 0.0000 61.0093 32.6749 174.0218 5 P 4.3510 0.0000 0.0000 62.6885 32.1490 174.9601 6 G 3.9443 8.2156 105.3273 44.1824 0.0000 172.2329 7 N 4.5552 8.1488 116.0630 51.1526 40.2048 173.7378 8 Y 4.8306 7.9304 112.4667 57.8680 38.2965 177.2985 9 K 3.9878 8.9452 123.4423 59.8397 32.3352 177.9344 10 K 4.5506 7.6169 119.1874 52.2027 33.2727 176.4386 11 P 4.9534 0.0000 0.0000 63.6332 32.9836 174.6722 12 K 4.6389 9.4327 118.9288 56.3348 36.5243 174.3495 13 L 5.2054 9.4045 120.8733 53.5444 44.4403 176.3685 14 L 5.0174 8.8324 121.9865 53.4244 43.0142 173.9828 15 Y 4.8834 9.2591 126.2161 56.7019 40.5036 173.5269 16 C 4.0255 8.8354 129.4292 57.5517 32.0628 174.2783 17 S 3.7136 7.7609 122.0787 61.2126 62.6829 175.3408 18 N 4.1250 8.1516 118.7189 56.1543 38.5602 175.3632 19 G 3.8096 7.6452 103.2456 44.3797 0.0000 172.2815 20 G 3.3611 7.6900 106.7749 44.6865 0.0000 173.3012 21 H 5.0116 6.9539 114.2362 53.6916 33.4911 174.4509 22 F 5.3964 9.2219 120.7532 56.0361 40.7140 175.2855 23 L 4.4293 9.3705 126.6296 56.0813 43.2889 175.8592 24 R 5.0555 9.5154 124.9705 54.9613 33.9955 173.5316 25 I 4.9633 8.3038 126.7576 59.5787 39.0736 175.8133 26 L 4.1915 9.2262 128.1026 53.1296 42.4943 176.6293 27 P 4.2012 0.0000 0.0000 65.7504 31.2144 177.5340 28 D 4.4780 7.9595 114.8268 53.8955 39.9930 177.0092 29 G 4.0913 8.4494 110.0357 45.1601 0.0000 173.8288 30 T 4.3220 8.5225 118.0236 63.4150 69.0202 173.4061 31 V 4.9034 8.1201 125.1303 61.2155 34.1562 174.3728 32 D 4.6175 8.9241 125.6462 52.9316 42.5228 174.0199 33 G 4.5723 8.8209 105.1028 45.3750 0.0000 172.5573 34 T 4.9878 8.9471 115.4263 60.5552 70.7894 174.8747 35 R 4.2889 8.9408 125.5920 57.5301 31.1310 176.1718 36 D 4.5097 8.0081 117.7876 53.9306 40.2600 176.5489 37 R 3.6252 8.5843 128.1798 58.6777 30.2924 177.3746 38 S 4.3234 8.3823 110.8912 58.5691 63.5303 174.0031 39 D 4.3652 7.5771 121.1902 55.2080 41.2343 175.9623 40 Q 4.2604 8.4714 123.0357 56.6535 28.9582 175.7851 41 H 4.7982 9.5237 117.1464 55.5231 29.4310 174.5627 42 I 4.6477 7.2457 110.5274 59.9535 38.4400 174.8337 43 Q 4.4856 7.3178 122.8813 54.8362 30.4101 174.5356 44 F 5.1876 9.0162 122.3522 55.6013 43.4883 174.0431 45 Q 4.7322 9.3713 124.1649 54.6731 30.1468 174.5190 46 L 5.2229 8.6134 126.9467 54.2787 43.3806 176.5380 47 S 4.5731 8.5833 115.0077 56.9125 66.7405 172.7170 48 A 4.4717 8.3001 123.5644 52.4653 19.9638 174.6880 49 E 3.9408 9.0092 122.5005 56.6793 29.0317 178.0408 50 S 4.6383 5.9162 115.0549 56.3646 65.7147 173.6656 51 V 3.7643 8.2161 121.1873 65.0287 31.3561 176.1590 52 G 3.9500 9.2855 115.2014 45.1094 0.0000 171.8009 53 E 5.1447 8.3279 119.8682 54.6652 32.2999 175.5948 54 V 4.8866 8.8796 115.9318 59.9680 36.9578 173.7374 55 Y 5.0643 8.9670 119.8922 56.4414 41.0773 175.2820 56 I 4.3357 8.6909 123.3817 59.6263 40.0963 173.9126 57 K 4.5853 8.6388 129.2908 53.9223 34.6033 175.1857 58 S 4.4171 9.2217 123.4629 58.7062 62.5821 174.9420 59 T 3.7539 8.4996 118.8843 64.2407 68.6115 175.5285 60 E 4.1150 8.1246 122.4658 57.7408 30.0889 176.6255 61 T 4.3119 8.0846 106.7483 60.7052 70.2792 175.5104 62 G 3.8521 8.3386 110.0505 45.2588 0.0000 173.6480 63 Q 4.5043 7.5596 119.0337 55.9582 30.3664 174.5395 64 Y 4.7883 8.9641 119.4481 56.0346 40.9967 175.0963 65 L 4.3935 9.0396 126.0284 55.2799 43.4126 175.6366 66 A 5.2124 8.7938 126.3998 50.8340 23.3389 174.3627 67 M 5.4194 8.4648 118.8159 53.9551 35.2492 175.3245 68 D 5.2375 9.8085 126.2238 51.6587 41.1043 177.1869 69 T 4.3821 8.5726 108.6885 64.1790 68.5601 174.5068 70 D 4.6404 8.4397 120.1120 54.2391 41.7759 177.0343 71 G 3.0640 8.8346 108.8141 44.6794 0.0000 172.4593 72 L 4.7562 8.2752 119.9597 53.1685 43.5509 175.9593 73 V 4.8620 8.3659 123.3492 62.5915 32.8057 174.2953 74 Y 4.8769 9.0420 124.7305 56.0674 42.1148 173.3926 75 G 4.2615 8.8359 107.9191 45.2487 0.0000 173.4291 76 S 5.0509 9.2014 121.5386 57.1824 63.7171 175.3505 77 Q 4.4658 9.0527 125.1562 58.0927 28.9670 176.2667 78 T 4.6087 7.6004 106.2065 58.7395 71.6491 172.1753 79 P 3.7833 0.0000 0.0000 61.5451 30.9383 174.3754 80 N 5.0509 8.0017 121.8351 50.9080 40.2862 174.3717 81 E 4.1355 8.9096 114.8221 59.6949 29.2067 177.8269 82 E 4.1041 9.1396 118.5590 57.9493 29.7847 177.4666 83 C 5.1684 8.0279 114.8373 58.8398 29.2011 173.5063 84 L 4.2350 7.3302 121.3065 54.0453 42.6717 175.7884 85 F 5.2063 8.9464 121.5384 55.5654 43.4972 174.2334 86 L 4.8004 9.2139 123.0310 53.8623 42.6892 175.4989 87 E 4.3655 8.8626 126.9042 55.2797 30.1711 175.6525 88 R 4.7851 8.4894 125.1292 54.0724 34.9987 174.4138 89 L 4.7576 8.4473 122.9723 55.0428 43.1771 175.7555 90 E 4.6802 9.0150 124.9900 55.1415 33.4632 175.0901 91 E 3.9497 9.8818 125.3581 57.8409 27.7636 174.4724 92 N 4.3308 8.6005 110.7084 54.2285 36.6012 173.9672 93 H 4.8193 8.5495 116.6123 57.7601 36.6306 173.5590 94 Y 4.5492 7.9230 116.0454 57.5918 39.9508 173.6217 95 N 5.5269 9.6180 118.3653 51.9715 41.2085 174.5804 96 T 5.2285 8.7140 112.6121 60.1167 72.8932 172.4785 97 Y 5.0656 8.6897 120.2415 56.5990 41.1176 174.2366 98 I 4.6140 8.3968 126.0595 59.0963 39.5494 175.4376 99 S 3.8053 8.7810 122.5124 58.6014 62.3421 173.9214 100 K 3.9411 8.6819 129.2076 59.4305 32.2125 178.7170 101 K 3.7712 7.8773 117.9317 59.0133 32.2871 176.6749 102 H 4.6557 8.0154 114.7007 55.0249 29.4337 175.8543 103 A 3.9549 7.7642 126.3260 55.4007 18.1612 180.8619 104 E 3.7197 7.8571 111.7804 58.4461 29.7190 177.7278 105 K 3.9796 7.8258 117.8047 55.7640 32.7440 175.8271 106 N 3.9206 7.5093 115.3935 53.9454 36.2738 174.5671 107 W 5.0583 7.6561 117.8083 55.7631 30.9919 177.0800 108 F 5.4475 9.2181 123.5397 55.3462 41.4906 174.8572 109 L 4.4128 9.2156 123.4829 54.9753 43.1075 175.8497 110 G 4.3820 8.5007 110.9209 45.4735 0.0000 171.6227 111 I 5.0252 7.9647 121.7971 58.9795 40.1715 176.2503 112 K 4.1995 8.7566 126.2663 55.6522 32.6550 178.3136 113 K 3.9391 8.5021 120.0673 59.3614 31.9567 177.8160 114 N 4.5375 8.0820 113.8211 52.7262 37.7762 175.8967 115 G 3.5435 8.5080 108.8614 45.2638 0.0000 172.8324 116 S 5.0899 7.8616 115.3350 56.1990 65.1566 174.3966 117 V 4.2182 8.3181 122.5705 61.9899 31.9103 175.8670 118 K 4.4085 9.1822 125.2393 56.4931 33.5567 177.1194 119 R 4.4868 8.3103 119.9163 54.5910 31.0344 178.2254 120 G 3.3378 8.4429 112.1363 47.8256 0.0000 174.2897 121 P 4.3301 0.0000 0.0000 64.3301 31.4510 177.4977 122 R 4.4166 7.8259 115.8605 56.0121 30.2044 175.9628 123 T 5.2971 7.5209 108.1321 59.6823 71.3798 173.0246 124 H 4.6657 7.8256 114.9475 54.9286 30.4902 173.0913 125 Y 3.9623 8.6351 118.4483 59.9700 38.0897 176.9919 126 G 4.0755 8.9759 111.5680 45.5655 0.0000 174.0787 127 Q 4.1112 7.6382 120.6984 56.0795 29.6283 177.7188 128 K 3.8581 8.2729 120.7077 56.3976 32.5610 180.1498 129 A 3.9992 7.7492 120.1550 54.9368 18.3771 178.5461 130 I 4.4184 7.2132 106.2799 60.5494 38.0704 175.3741 131 L 4.4106 7.3086 122.9070 54.1045 42.5326 175.8384 132 F 5.1973 9.6891 122.9265 55.5830 43.3324 174.2929 133 L 5.2754 9.2280 120.8815 52.4681 44.5783 173.9299 134 P 5.2734 0.0000 0.0000 62.1562 32.4888 175.1687 135 L 4.9263 9.1092 125.8877 51.7001 43.9799 174.4742 136 P 4.5582 0.0000 0.0000 63.5028 31.9040 176.3296 137 V 3.9080 7.8612 120.1222 63.2170 31.0643 175.6017 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 1C H 8.44 4.86 0.00 3.11 3.53 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.87 4.52 0.00 3.25 3.22 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.60 5.10 0.00 3.15 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.62 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.48 4.80 0.00 2.92 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 2 N 8.50 4.54 0.00 2.96 2.79 0.00 0.00 6.91 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 3 L 8.15 4.80 0.00 1.49 1.42 0.65 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.61 0.00 2.18 2.05 0.00 3.69 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 1.93 1.87 0.00 5 P 0.00 4.35 0.00 2.17 2.07 0.00 3.71 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 1.95 1.93 0.00 6 G 8.22 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 7 N 8.15 4.56 0.00 2.64 2.68 0.00 0.00 5.92 7.55 0.00 0.00 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 Y 7.93 4.83 0.00 3.07 3.26 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 9 K 8.95 3.99 0.00 1.90 1.91 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 K 7.62 4.55 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 0.98 7.81 11 P 0.00 4.95 0.00 2.09 2.21 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 12 K 9.43 4.64 0.00 1.99 1.96 0.00 1.42 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.55 7.81 13 L 9.40 5.21 0.00 1.86 1.85 0.59 0.39 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 14 L 8.83 5.02 0.00 1.52 1.52 0.11 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.26 4.88 0.00 3.28 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 16 C 8.84 4.03 0.00 2.26 2.36 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 17 S 7.76 3.71 0.00 3.89 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 18 N 8.15 4.12 0.00 2.61 2.78 0.00 0.00 6.76 7.98 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 19 G 7.65 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 0.00 0.00 0.00 20 G 7.69 3.36 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 0.00 21 H 6.95 5.01 0.00 2.99 3.24 0.00 5.80 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 22 F 9.22 5.40 0.00 3.22 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 23 L 9.37 4.43 0.00 1.82 1.62 0.88 -0.10 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 24 R 9.52 5.06 0.00 1.98 2.10 0.00 3.21 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.89 0.00 25 I 8.30 4.96 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.98 0.00 0.00 26 L 9.23 4.19 0.00 1.77 1.52 0.92 1.00 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 27 P 0.00 4.20 0.00 2.02 2.12 0.00 3.49 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 28 D 7.96 4.48 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 29 G 8.45 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.52 4.32 4.30 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 1.23 0.00 0.00 31 V 8.12 4.90 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 0.87 0.00 0.00 0.96 0.00 0.00 32 D 8.92 4.62 0.00 2.87 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 33 G 8.82 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 34 T 8.95 4.99 4.35 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 1.39 0.00 0.00 35 R 8.94 4.29 0.00 1.91 2.03 0.00 3.25 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 1.71 1.61 0.00 36 D 8.01 4.51 0.00 2.72 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 37 R 8.58 3.63 0.00 1.80 1.93 0.00 2.52 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 38 S 8.38 4.32 0.00 3.97 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 39 D 7.58 4.37 0.00 2.81 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 40 Q 8.47 4.26 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.23 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 41 H 9.52 4.80 0.00 3.27 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.25 4.65 1.95 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 1.13 0.00 0.00 43 Q 7.32 4.49 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 44 F 9.02 5.19 0.00 2.94 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 45 Q 9.37 4.73 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 46 L 8.61 5.22 0.00 1.77 1.57 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.58 4.57 0.00 3.93 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 48 A 8.30 4.47 1.19 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 0.00 0.00 49 E 9.01 3.94 0.00 1.67 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 2.21 2.36 0.00 50 S 5.92 4.64 0.00 3.97 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 51 V 8.22 3.76 2.31 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 1.00 0.00 0.00 1.04 0.00 0.00 52 G 9.29 3.95 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 0.00 0.00 0.00 53 E 8.33 5.14 0.00 1.97 1.69 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 2.20 2.28 0.00 54 V 8.88 4.89 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 0.62 0.00 0.00 1.14 0.00 0.00 55 Y 8.97 5.06 0.00 2.95 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 56 I 8.69 4.34 1.61 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.59 0.30 0.00 0.00 57 K 8.64 4.59 0.00 0.79 1.58 0.00 1.31 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.03 0.67 7.81 58 S 9.22 4.42 0.00 3.93 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 59 T 8.50 3.75 4.15 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 1.14 0.00 0.00 60 E 8.12 4.12 0.00 1.87 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 2.13 2.31 0.00 61 T 8.08 4.31 4.24 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 1.24 0.00 0.00 62 G 8.34 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 0.00 0.00 0.00 63 Q 7.56 4.50 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.72 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 64 Y 8.96 4.79 0.00 2.96 2.98 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 65 L 9.04 4.39 0.00 1.48 1.41 0.75 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.79 5.21 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.46 5.42 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 68 D 9.81 5.24 0.00 2.99 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 69 T 8.57 4.38 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 1.34 0.00 0.00 70 D 8.44 4.64 0.00 2.78 2.69 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 71 G 8.83 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 0.00 0.00 0.00 72 L 8.28 4.76 0.00 1.92 1.61 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.37 4.86 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 0.88 0.00 0.00 1.00 0.00 0.00 74 Y 9.04 4.88 0.00 3.02 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 75 G 8.84 4.26 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 0.00 76 S 9.20 5.05 0.00 3.84 3.87 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 77 Q 9.05 4.47 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.60 4.61 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 1.23 0.00 0.00 79 P 0.00 3.78 0.00 1.10 0.49 0.00 3.48 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.39 0.00 80 N 8.00 5.05 0.00 2.90 2.92 0.00 0.00 5.91 7.66 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 81 E 8.91 4.14 0.00 2.04 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 0.00 2.27 2.34 0.00 82 E 9.14 4.10 0.00 2.18 2.21 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 2.37 2.45 0.00 83 C 8.03 5.17 0.00 3.21 3.31 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 84 L 7.33 4.23 0.00 1.35 1.31 0.76 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.95 5.21 0.00 3.03 3.02 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 86 L 9.21 4.80 0.00 1.51 1.58 0.87 1.00 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 87 E 8.86 4.37 0.00 2.08 1.88 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 2.15 1.86 0.00 88 R 8.49 4.79 0.00 1.76 1.76 0.00 3.06 0.00 0.00 2.83 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 89 L 8.45 4.76 0.00 1.63 1.60 0.95 0.64 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 90 E 9.02 4.68 0.00 2.20 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 2.28 2.40 0.00 91 E 9.88 3.95 0.00 2.33 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 2.30 2.32 0.00 92 N 8.60 4.33 0.00 2.86 2.90 0.00 0.00 6.86 8.16 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 93 H 8.55 4.82 0.00 2.90 3.07 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.92 4.55 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 95 N 9.62 5.53 0.00 2.99 2.58 0.00 0.00 6.94 6.92 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 96 T 8.71 5.23 4.46 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 1.36 0.00 0.00 97 Y 8.69 5.07 0.00 2.65 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 98 I 8.40 4.61 1.67 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.74 0.54 0.00 0.00 99 S 8.78 3.81 0.00 3.94 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 0.00 100 K 8.68 3.94 0.00 1.69 1.67 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.30 7.81 101 K 7.88 3.77 0.00 1.74 1.63 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.98 1.28 7.81 102 H 8.02 4.66 0.00 3.07 2.32 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.76 3.95 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 0.00 104 E 7.86 3.72 0.00 1.69 1.71 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 2.04 2.10 0.00 105 K 7.83 3.98 0.00 0.79 1.18 0.00 0.61 0.00 0.00 0.78 0.00 0.00 2.47 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.03 0.85 7.81 106 N 7.51 3.92 0.00 3.05 3.17 0.00 0.00 6.90 7.66 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 0.00 107 W 7.66 5.06 0.00 3.18 3.02 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 0.00 108 F 9.22 5.45 0.00 2.86 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 0.00 109 L 9.22 4.41 0.00 1.47 1.45 0.77 0.14 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 0.00 110 G 8.50 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 0.00 0.00 0.00 0.00 111 I 7.96 5.03 1.72 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.82 0.00 0.00 112 K 8.76 4.20 0.00 1.96 1.68 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.49 7.81 113 K 8.50 3.94 0.00 1.71 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.38 7.81 114 N 8.08 4.54 0.00 2.79 2.90 0.00 0.00 6.16 7.00 0.00 0.00 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 G 8.51 3.54 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 0.00 0.00 0.00 116 S 7.86 5.09 0.00 3.91 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 0.00 117 V 8.32 4.22 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 0.76 0.00 0.00 1.06 0.00 0.00 118 K 9.18 4.41 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.35 7.81 119 R 8.31 4.49 0.00 1.73 1.79 0.00 3.29 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 120 G 8.44 3.34 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 0.00 121 P 0.00 4.33 0.00 1.99 2.22 0.00 2.95 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 122 R 7.83 4.42 0.00 1.85 1.92 0.00 3.28 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.52 5.30 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 1.39 0.00 0.00 124 H 7.83 4.67 0.00 3.43 3.51 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.64 3.96 0.00 3.12 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 0.00 126 G 8.98 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 0.00 127 Q 7.64 4.11 0.00 1.86 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.10 1.88 0.00 128 K 8.27 3.86 0.00 1.68 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.00 7.81 129 A 7.75 4.00 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 0.00 0.00 130 I 7.21 4.42 1.79 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.61 0.00 0.00 131 L 7.31 4.41 0.00 0.96 0.63 0.34 0.98 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 0.00 132 F 9.69 5.20 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 133 L 9.23 5.28 0.00 1.88 1.70 1.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.27 0.00 2.19 2.24 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 135 L 9.11 4.93 0.00 1.71 1.67 1.04 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.56 0.00 2.08 2.09 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 137 V 7.86 3.91 2.26 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 0.68 0.00 0.00 0.89 0.00 0.00