NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 H 4.6565 8.4449 120.3906 56.1671 30.2369 172.0978 5 V 4.6777 8.0442 120.0836 58.0806 34.1980 173.9271 6 T 4.7222 9.5837 114.7646 60.0953 72.0670 172.7997 7 I 4.8944 7.9817 123.5072 59.7279 39.9812 174.7804 8 R 4.4777 8.0174 121.0098 55.0775 33.1861 173.8416 9 E 4.5789 8.7068 119.0402 56.1413 30.0877 177.2031 10 A 4.6100 9.0727 125.8024 52.2482 19.5716 176.5483 11 T 4.9595 9.3233 109.2152 58.9616 72.3736 174.9177 12 E 3.2852 8.9915 120.5098 59.4357 29.0220 179.7788 13 G 3.6622 7.4686 103.9088 46.9103 0.0000 174.5919 14 D 4.5488 8.0232 120.4374 55.0653 41.0889 178.0117 15 L 3.6886 7.2049 121.4813 58.1790 41.9352 178.3684 16 E 3.9509 8.0669 118.2875 59.7186 29.5957 178.7886 17 Q 3.9694 7.9511 117.3374 58.9726 28.8212 178.4493 18 M 4.0016 8.1074 120.0241 58.3899 31.9683 178.9559 19 V 3.3830 7.9864 118.7561 66.1170 31.3958 177.4305 20 H 3.3541 7.8205 117.0444 59.1217 29.8322 176.6339 21 M 3.9958 7.8477 119.9222 58.5113 32.1520 178.1785 22 L 3.9436 7.9098 118.9053 57.7915 41.6256 179.2317 23 A 4.1694 8.3877 120.0985 53.9984 18.1222 178.2823 24 D 4.4752 7.2837 115.2476 53.5610 42.1088 176.5081 25 D 4.3735 7.1975 119.9970 53.8575 41.9163 176.8873 26 V 3.5439 8.5011 124.9605 65.9855 31.4178 177.5016 27 L 4.5210 7.9508 117.0643 56.4896 42.5332 178.9133 28 G 3.6420 9.0866 106.2278 47.5221 0.0000 175.5145 29 R 4.1536 8.0535 119.8086 58.8626 28.8620 179.0646 30 K 3.8827 7.7697 117.7013 58.2815 32.1157 177.9072 31 R 4.4261 7.9847 115.7663 55.9065 31.1661 175.6145 32 E 4.7589 7.4631 117.0922 54.9557 31.6115 176.5113 33 R 4.5378 8.7962 120.1170 55.3370 30.6431 171.8504 34 Y 4.3774 8.3238 123.3058 56.3769 39.6818 174.3831 35 E 4.3078 7.6964 124.6199 55.2006 33.7216 173.9683 36 K 4.4051 8.0370 119.7064 53.8182 33.9349 174.9497 37 P 4.4761 0.0000 0.0000 61.6787 32.2753 176.1452 38 L 4.3164 7.9936 118.5384 53.4685 42.4308 175.7346 39 P 4.3868 0.0000 0.0000 62.9314 32.0457 177.8414 40 V 3.6872 8.6210 115.3983 64.8567 31.2819 178.7471 41 S 4.0734 8.0454 112.2433 61.5418 62.0506 175.7643 42 Y 4.1938 7.8229 119.2487 61.0427 37.6306 178.6118 43 V 3.7070 7.9237 118.7194 65.9917 31.7411 177.8360 44 R 3.8988 8.4818 118.6348 59.3461 29.9069 178.2678 45 A 4.1608 8.3227 120.7676 55.2433 18.4161 179.2498 46 F 4.0186 8.6358 119.4285 61.4990 39.4455 177.4726 47 K 3.9594 8.2476 118.0128 59.5325 31.7132 179.2263 48 E 3.9746 8.2203 118.8701 59.2886 29.1147 179.5657 49 I 3.6202 7.5764 118.9836 64.2884 37.3119 177.9446 50 K 3.7849 7.6193 119.3858 59.4115 31.9325 178.3333 51 K 4.1974 7.7461 119.0116 58.0754 32.5432 176.4075 52 D 4.5674 7.6164 120.2348 53.2637 41.1447 177.0109 53 K 4.1302 8.7455 126.9226 59.0795 32.4379 177.5717 54 N 5.0174 9.1051 115.6595 53.0983 38.7083 173.5688 55 N 5.3080 8.1751 117.1037 51.9841 41.1602 173.1902 56 E 4.8561 9.3814 126.4557 54.4595 33.4638 175.1768 57 L 5.0726 8.5239 123.2113 53.3614 44.0043 175.2598 58 I 4.8223 8.9784 125.3347 59.5070 40.1421 175.2394 59 V 4.9335 8.6239 118.5861 59.4709 35.7961 174.2445 60 A 4.9395 8.6895 126.0079 50.6810 20.9078 175.8367 61 C 5.1655 9.5911 120.7554 57.9458 32.0503 172.8753 62 N 4.7718 9.0117 121.5690 50.0834 38.1312 175.3909 63 G 4.0511 8.6462 117.0214 45.4151 0.0000 173.8026 64 E 4.2888 8.7217 122.9616 56.2151 30.4775 175.5251 65 E 4.1995 7.8713 122.2093 55.7357 30.1271 175.3071 66 I 4.3142 8.7209 128.4070 61.4033 37.7120 176.1046 67 V 4.3816 8.6470 118.0495 61.1010 33.5463 175.3617 68 G 4.4562 7.7219 106.4900 46.0050 0.0000 172.0121 69 M 5.3262 8.6466 117.3235 54.6139 35.0826 173.2600 70 L 4.9216 8.1486 117.7220 56.0779 44.3447 172.8928 71 Q 5.2541 8.5469 121.2775 54.3431 32.3559 174.5598 72 V 4.9844 9.0416 124.5704 60.1038 35.1992 174.1708 73 T 4.8107 8.5237 113.5757 59.8075 71.7466 172.5780 74 F 5.5372 8.9854 124.7370 56.4120 40.4978 175.4017 75 T 4.4112 9.2621 120.7643 60.8225 72.5061 171.5333 76 P 3.8569 0.0000 0.0000 61.8920 32.6655 174.5918 77 Y 4.7163 8.0705 118.0121 56.3288 42.3863 176.5179 78 L 4.0386 8.7291 120.9488 57.6707 42.4729 178.2023 79 T 4.1250 7.8591 107.8410 62.7604 69.2814 172.8592 80 Y 3.2229 8.3816 116.8629 60.0242 35.4473 169.9443 81 Q 3.3901 9.0988 112.2407 57.2483 26.3787 174.0393 82 G 4.4459 8.4559 98.4301 47.4042 0.0000 173.8697 83 S 4.6336 8.0740 115.3997 57.5570 64.5729 174.4278 84 W 4.7416 8.9382 123.3745 56.5872 30.6319 175.4697 85 R 5.3714 9.6879 121.3148 54.4897 34.1864 174.0139 86 A 5.2340 8.9728 123.2863 50.6193 21.8767 175.6717 87 T 5.0117 8.8477 119.5396 61.8219 71.1900 173.6068 88 I 4.6838 8.7592 128.3356 60.5648 38.8229 175.3248 89 E 4.3344 9.0234 126.4684 54.8636 32.7968 174.9720 90 G 3.6915 8.5373 114.8278 46.4696 0.0000 173.6036 91 V 4.3339 7.5632 117.2004 62.8859 32.6600 176.2906 92 R 4.7905 9.2952 126.7341 54.6927 34.2850 174.4866 93 T 5.0015 8.2131 117.6995 61.5052 72.1895 173.3752 94 H 4.1554 9.2188 125.9506 56.4131 30.3567 176.5554 95 S 4.0153 8.7656 119.3201 60.8305 62.9377 174.7263 96 A 4.5033 8.2994 121.2551 52.0001 18.8958 176.5458 97 A 4.7533 7.9045 118.8006 51.9743 19.7940 177.2090 98 R 4.0356 8.1303 117.5509 58.6001 30.7280 176.4429 99 G 3.9364 8.5859 106.8009 47.4730 0.0000 174.2163 100 Q 4.4460 8.1490 114.7335 54.9298 30.0636 176.7015 101 G 4.0002 8.2697 105.6448 46.5467 0.0000 176.0151 102 I 3.8350 7.7612 122.5038 64.0373 37.0299 178.4347 103 G 3.5624 7.9919 106.1391 47.9034 0.0000 175.4666 104 S 4.2625 8.3297 115.4502 61.1622 62.4686 175.8955 105 Q 4.0363 8.3061 122.2969 59.0642 28.8338 178.1593 106 L 4.0594 8.1923 120.1061 57.9501 41.6483 179.7337 107 V 3.8679 8.2607 118.3217 66.3180 31.5040 177.8734 108 C 4.2490 8.6083 116.8199 62.4433 27.9523 175.8479 109 W 4.0680 8.5892 129.8992 60.4810 30.2529 177.9621 110 A 4.3531 8.5825 120.8093 55.1754 17.8386 179.6544 111 I 3.7246 8.2201 118.7404 64.7392 37.1621 178.5316 112 E 3.8906 8.2723 119.3720 59.2879 29.2412 179.3620 113 R 3.5233 7.8391 118.5313 59.1511 30.0510 178.4502 114 A 4.1932 8.3450 120.7199 55.2109 18.4489 179.7268 115 K 3.8809 7.9647 116.9653 59.7058 31.8911 179.3882 116 E 3.8748 8.0046 117.8611 59.3353 29.4699 179.0199 117 R 3.8596 7.4401 115.3463 56.4645 30.1447 177.4719 118 G 3.7795 7.5963 107.1925 45.6355 0.0000 173.6835 119 C 4.6317 7.8859 116.6316 60.0493 28.5951 173.3810 120 H 4.9746 8.5842 118.5478 55.9639 29.6766 174.4680 121 L 4.5800 7.5659 119.6032 53.6498 45.5339 173.6348 122 I 5.2748 8.2983 124.3060 59.4122 41.0968 174.0223 123 Q 4.9122 9.1368 125.9919 55.0817 32.6419 172.8929 124 L 4.6119 7.6500 118.2373 55.7210 42.7046 173.5817 125 T 4.5245 8.4071 109.3751 59.7433 71.1170 173.3233 126 T 4.5311 8.0519 114.5071 59.1564 71.4251 173.3076 127 D 4.3937 8.5395 124.1405 54.2606 41.6872 177.2293 128 K 4.0996 8.6228 125.5235 58.9552 32.2013 177.7948 129 Q 4.1289 8.9088 116.9881 56.9841 29.1020 176.6991 130 R 4.4187 7.8440 119.2566 53.4125 29.2232 174.7297 131 P 4.2679 0.0000 0.0000 65.6150 31.4976 178.1776 132 D 4.6701 7.9808 116.1021 54.5584 41.1588 178.2311 133 A 4.0622 7.8482 122.2371 54.9932 18.4718 179.2081 134 L 4.0344 8.0677 118.4072 58.5791 42.1777 179.3379 135 R 3.9679 8.0353 117.3112 59.1416 29.8807 178.3260 136 F 4.0621 7.8996 119.1332 61.8934 39.6010 176.6122 137 Y 4.0875 8.0695 115.9419 60.9249 37.7875 177.9047 138 E 4.9351 8.3952 120.9146 59.1021 29.3293 179.2559 139 Q 4.1326 8.0417 116.8368 57.8743 28.9086 177.4560 140 L 4.3336 7.4450 118.2826 54.2290 42.1371 177.1170 141 G 3.9946 7.5427 105.9534 45.1623 0.0000 174.3217 142 F 4.4279 8.2304 118.8351 56.6923 39.9835 174.4805 143 K 4.8378 8.5129 122.2168 54.7237 34.9266 177.4969 144 A 4.4279 8.4788 128.4518 51.3537 16.7540 177.2162 145 S 4.4650 7.8436 115.0588 58.8333 64.5326 174.8450 146 H 4.9747 7.8958 116.5932 53.8040 32.1720 172.2665 147 E 4.3340 8.6563 120.7396 55.2215 30.4423 176.5505 148 G 3.8853 8.5489 112.9172 44.2651 0.0000 172.7082 149 L 4.6600 8.2286 125.9917 52.6338 43.4313 176.5845 150 K 4.5731 8.2477 120.8786 54.8319 35.9249 175.7441 151 M 4.5036 8.0717 120.2739 54.4302 34.4223 173.8430 152 H 4.4360 8.5973 123.6215 54.2853 30.4879 175.3259 153 F 4.7111 8.2431 121.3358 57.9061 38.9049 175.5827 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 4 H 8.44 4.66 0.00 3.15 3.30 0.00 5.66 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 5 V 8.04 4.68 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 0.74 0.00 0.00 0.92 0.00 0.00 6 T 9.58 4.72 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 1.26 0.00 0.00 7 I 7.98 4.89 1.51 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 1.21 0.58 -0.28 0.00 0.00 8 R 8.02 4.48 0.00 1.86 1.96 0.00 2.77 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 9 E 8.71 4.58 0.00 1.95 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 2.47 2.50 0.00 10 A 9.07 4.61 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.32 4.96 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 1.27 0.00 0.00 12 E 8.99 3.29 0.00 2.05 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 2.54 2.83 0.00 13 G 7.47 3.66 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 0.00 0.00 0.00 14 D 8.02 4.55 0.00 2.69 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 15 L 7.20 3.69 0.00 1.25 1.50 0.87 0.59 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 16 E 8.07 3.95 0.00 2.05 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 2.51 2.50 0.00 17 Q 7.95 3.97 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 18 M 8.11 4.00 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.53 0.00 19 V 7.99 3.38 1.99 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 0.48 0.00 0.00 0.50 0.00 0.00 20 H 7.82 3.35 0.00 2.44 3.16 0.00 6.01 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 21 M 7.85 4.00 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 22 L 7.91 3.94 0.00 1.87 1.73 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.39 4.17 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 24 D 7.28 4.48 0.00 2.68 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 25 D 7.20 4.37 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 26 V 8.50 3.54 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 0.91 0.00 0.00 0.90 0.00 0.00 27 L 7.95 4.52 0.00 1.84 1.67 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.09 3.64 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 0.00 0.00 0.00 29 R 8.05 4.15 0.00 2.04 2.38 0.00 3.04 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 30 K 7.77 3.88 0.00 1.72 1.91 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 31 R 7.98 4.43 0.00 1.78 1.97 0.00 3.17 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 32 E 7.46 4.76 0.00 2.10 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 0.00 2.57 2.33 0.00 33 R 8.80 4.54 0.00 1.77 1.94 0.00 3.52 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 34 Y 8.32 4.38 0.00 2.88 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 35 E 7.70 4.31 0.00 1.92 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 0.00 2.24 2.29 0.00 36 K 8.04 4.41 0.00 1.59 1.63 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.26 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.04 1.24 7.81 37 P 0.00 4.48 0.00 2.16 2.02 0.00 3.73 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 1.96 1.96 0.00 38 L 7.99 4.32 0.00 1.69 1.73 0.87 1.05 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 39 P 0.00 4.39 0.00 2.28 2.01 0.00 3.96 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.19 0.00 40 V 8.62 3.69 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 0.83 0.00 0.00 0.93 0.00 0.00 41 S 8.05 4.07 0.00 3.77 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 42 Y 7.82 4.19 0.00 3.26 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 43 V 7.92 3.71 2.29 0.00 0.00 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 1.00 0.00 0.00 44 R 8.48 3.90 0.00 2.02 2.07 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 45 A 8.32 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.64 4.02 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 3.96 0.00 2.05 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.93 7.81 48 E 8.22 3.97 0.00 2.15 1.99 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 2.33 2.61 0.00 49 I 7.58 3.62 1.80 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 1.39 0.60 0.91 0.00 0.00 50 K 7.62 3.78 0.00 0.94 1.57 0.00 1.61 0.00 0.00 1.35 0.00 0.00 3.47 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 51 K 7.75 4.20 0.00 1.84 1.99 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.48 7.81 52 D 7.62 4.57 0.00 2.67 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 53 K 8.75 4.13 0.00 1.84 1.91 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.43 7.81 54 N 9.11 5.02 0.00 3.04 3.33 0.00 0.00 6.22 6.52 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 55 N 8.18 5.31 0.00 2.72 2.69 0.00 0.00 6.89 6.94 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 56 E 9.38 4.86 0.00 2.09 1.96 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 2.38 2.55 0.00 57 L 8.52 5.07 0.00 1.67 1.70 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.98 4.82 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 1.34 1.37 0.20 0.00 0.00 59 V 8.62 4.93 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 0.68 0.00 0.00 0.94 0.00 0.00 60 A 8.69 4.94 1.20 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 0.00 0.00 61 C 9.59 5.17 0.00 2.77 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 62 N 9.01 4.77 0.00 2.65 2.65 0.00 0.00 7.28 8.65 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 63 G 8.65 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 64 E 8.72 4.29 0.00 2.06 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 2.19 2.26 0.00 65 E 7.87 4.20 0.00 1.99 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 2.32 2.28 0.00 66 I 8.72 4.31 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.91 0.00 0.00 67 V 8.65 4.38 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 0.68 0.00 0.00 0.95 0.00 0.00 68 G 7.72 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 0.00 0.00 0.00 0.00 69 M 8.65 5.33 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 70 L 8.15 4.92 0.00 1.80 1.80 1.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.55 5.25 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 72 V 9.04 4.98 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 1.03 0.00 0.00 0.59 0.00 0.00 73 T 8.52 4.81 4.19 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 1.24 0.00 0.00 74 F 8.99 5.54 0.00 3.24 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 75 T 9.26 4.41 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 0.47 0.00 0.00 76 P 0.00 3.86 0.00 1.41 0.49 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 1.31 1.29 0.00 77 Y 8.07 4.72 0.00 2.98 2.81 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 78 L 8.73 4.04 0.00 1.75 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.86 4.13 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 1.18 0.00 0.00 80 Y 8.38 3.22 0.00 3.24 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 81 Q 9.10 3.39 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 82 G 8.46 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.07 4.63 0.00 4.01 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 84 W 8.94 4.74 0.00 3.25 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 85 R 9.69 5.37 0.00 1.95 1.83 0.00 2.49 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 86 A 8.97 5.23 1.41 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 87 T 8.85 5.01 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 1.19 0.00 0.00 88 I 8.76 4.68 1.81 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.58 0.95 0.00 0.00 89 E 9.02 4.33 0.00 1.99 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 2.19 2.30 0.00 90 G 8.54 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 91 V 7.56 4.33 2.24 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 0.86 0.00 0.00 1.10 0.00 0.00 92 R 9.30 4.79 0.00 1.66 1.70 0.00 3.24 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 93 T 8.21 5.00 4.16 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 0.00 0.00 1.22 0.00 0.00 94 H 9.22 4.16 0.00 3.23 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.77 4.02 0.00 3.98 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 96 A 8.30 4.50 1.28 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 0.00 0.00 0.00 97 A 7.90 4.75 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 98 R 8.13 4.04 0.00 1.79 1.83 0.00 3.51 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 99 G 8.59 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 0.00 100 Q 8.15 4.45 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 2.23 2.52 0.00 101 G 8.27 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 0.00 102 I 7.76 3.83 1.85 0.00 0.00 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 1.56 0.59 0.89 0.00 0.00 103 G 7.99 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 0.00 104 S 8.33 4.26 0.00 4.07 4.13 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 0.00 0.00 0.00 0.00 105 Q 8.31 4.04 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 106 L 8.19 4.06 0.00 2.14 1.81 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.26 3.87 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 1.50 0.00 0.00 1.37 0.00 0.00 108 C 8.61 4.25 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 0.00 109 W 8.59 4.07 0.00 3.65 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.58 4.35 1.66 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 0.00 0.00 111 I 8.22 3.72 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.13 0.88 0.00 0.00 112 E 8.27 3.89 0.00 1.89 1.81 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 2.47 2.39 0.00 113 R 7.84 3.52 0.00 1.43 2.15 0.00 2.85 0.00 0.00 2.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 114 A 8.35 4.19 1.57 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 0.00 115 K 7.96 3.88 0.00 1.94 1.82 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 116 E 8.00 3.87 0.00 1.91 1.81 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 2.21 2.31 0.00 117 R 7.44 3.86 0.00 1.51 1.45 0.00 2.82 0.00 0.00 2.80 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 118 G 7.60 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 0.00 119 C 7.89 4.63 0.00 3.22 3.18 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 0.00 120 H 8.58 4.97 0.00 3.00 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.57 4.58 0.00 1.50 1.28 0.84 0.54 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 0.00 122 I 8.30 5.27 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 0.94 0.00 0.00 123 Q 9.14 4.91 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 124 L 7.65 4.61 0.00 1.47 1.43 -0.10 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.41 4.52 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 1.16 0.00 0.00 126 T 8.05 4.53 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 0.99 0.00 0.00 127 D 8.54 4.39 0.00 2.69 2.59 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 0.00 128 K 8.62 4.10 0.00 1.79 1.87 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.47 7.81 129 Q 8.91 4.13 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 130 R 7.84 4.42 0.00 1.99 1.89 0.00 3.17 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 131 P 0.00 4.27 0.00 2.18 2.21 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 132 D 7.98 4.67 0.00 2.69 2.74 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 0.00 133 A 7.85 4.06 1.52 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 0.00 0.00 0.00 134 L 8.07 4.03 0.00 1.84 1.75 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.04 3.97 0.00 1.96 2.01 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 136 F 7.90 4.06 0.00 2.96 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 0.00 137 Y 8.07 4.09 0.00 3.11 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 0.00 138 E 8.40 4.94 0.00 2.21 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 2.43 2.62 0.00 139 Q 8.04 4.13 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 140 L 7.44 4.33 0.00 1.91 1.75 0.47 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.54 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 0.00 0.00 0.00 142 F 8.23 4.43 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.51 4.84 0.00 1.75 1.73 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 144 A 8.48 4.43 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 7.84 4.46 0.00 4.06 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 0.00 146 H 7.90 4.97 0.00 3.06 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.66 4.33 0.00 1.95 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 2.26 2.24 0.00 148 G 8.55 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 0.00 149 L 8.23 4.66 0.00 1.63 1.58 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.25 4.57 0.00 1.65 1.53 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.31 7.81 151 M 8.07 4.50 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 152 H 8.60 4.44 0.00 3.08 3.16 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.24 4.71 0.00 3.08 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