NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.2034 8.0549 120.3156 61.4729 32.7725 174.2475 2 L 4.5177 8.1447 120.0044 50.6336 44.2765 175.9802 3 S 4.3932 8.9233 117.8793 58.1672 65.9088 174.9632 4 E 4.3123 8.8495 122.7932 59.3317 29.3086 179.2436 5 G 3.6043 8.0744 105.6014 47.6539 0.0000 175.3566 6 E 3.8866 8.2532 121.0763 59.0729 29.4067 179.5230 7 W 4.4690 7.9924 118.8345 60.0263 29.1009 178.6364 8 Q 4.1260 8.5734 118.1011 58.8583 28.1840 178.8164 9 L 4.1283 7.8267 119.9985 57.4851 41.6578 179.6009 10 V 3.7356 7.9624 118.2668 66.2683 31.6341 178.2178 11 L 4.2936 8.5063 118.6358 57.5598 41.4548 178.9889 12 H 4.2585 8.5002 118.8543 59.3175 29.9728 177.6328 13 V 3.7644 8.0145 113.8577 63.6387 31.3210 178.3819 14 W 3.8379 8.4951 128.3936 60.2397 30.3029 177.7704 15 A 3.9718 8.0932 119.9498 55.1061 18.1106 179.4370 16 K 3.9335 7.4501 115.6439 59.1104 31.9580 179.7330 17 V 2.8467 6.9926 118.4490 65.6185 31.0724 177.7280 18 E 3.8231 7.6944 116.5687 58.4785 29.3136 178.5820 19 A 4.2337 7.3733 119.6781 53.6087 19.8638 177.6849 20 D 4.6503 7.8567 116.5480 52.2702 43.0892 175.5716 21 V 3.4193 7.9346 123.2685 65.3986 32.0653 176.5191 22 A 4.0623 8.0681 120.1540 55.3385 18.1903 179.6270 23 G 3.6547 8.3315 105.2753 47.7255 0.0000 175.5069 24 H 4.1115 8.2590 118.7410 58.4718 28.6794 178.1139 25 G 3.6244 8.2590 107.5573 47.8295 0.0000 175.7017 26 Q 3.9461 8.1686 120.5113 58.9558 28.7965 178.8057 27 D 4.2781 8.1670 119.8139 57.2416 40.7809 179.0417 28 I 3.6458 8.0463 120.8311 64.6327 37.1202 178.2168 29 H 3.5628 8.0830 117.0423 58.5333 28.4470 177.8207 30 I 3.5915 7.6817 121.7372 64.3232 36.8933 178.3951 31 R 3.7678 7.8745 119.2841 59.3674 29.9553 178.3155 32 L 3.9045 8.1157 120.4314 58.2742 41.9536 178.9747 33 F 4.5854 8.4223 117.9415 60.2825 38.5624 177.9408 34 K 4.0530 7.7545 117.3477 59.3969 31.9865 179.2278 35 S 4.4015 8.0701 114.6934 60.1398 63.8268 174.1282 36 H 4.5684 8.0905 118.4041 52.1515 29.9417 171.8980 37 P 4.6881 0.0000 0.0000 64.5229 31.1886 177.7754 38 E 4.0926 8.1807 116.1193 59.4852 29.1719 179.0960 39 T 3.7379 7.8767 117.0961 66.5047 68.0459 176.1312 40 L 3.3919 7.9577 121.7083 57.5024 41.7354 178.7163 41 E 3.8000 7.6144 118.3006 59.3848 29.4365 179.0529 42 K 4.2688 7.7518 117.3441 58.8042 33.8690 177.9687 43 H 4.5691 7.8247 118.1470 54.1353 27.3629 174.9537 44 D 4.2196 7.8541 123.8078 57.5707 41.6374 178.6155 45 R 3.8810 7.5755 116.4971 57.9035 30.1761 176.5372 46 F 5.0768 7.6748 114.9629 57.8876 39.7194 177.4892 47 K 3.9464 8.2280 121.7447 59.0665 31.8506 177.4665 48 H 4.5389 8.1153 112.0616 55.8206 29.0349 175.7925 49 L 4.3046 7.5852 121.2630 54.5261 39.8601 176.6091 50 K 4.3395 10.3256 123.1577 57.0618 33.0670 177.8506 51 T 4.7567 7.1153 113.3717 60.6939 73.4420 174.3400 52 E 3.9287 8.6617 123.0828 59.4194 29.7770 179.0461 53 A 3.9629 7.9582 120.3803 55.0484 18.2495 179.0902 54 E 3.9048 8.1235 115.6119 60.0254 29.7817 179.0056 55 M 4.1639 8.0846 118.3795 58.5412 31.8186 179.1287 56 K 3.9587 8.1300 117.2718 58.9365 32.3095 178.5902 57 A 4.4112 7.8947 118.9308 51.9559 19.0290 177.1336 58 S 4.2922 7.4403 113.9722 57.3934 62.6512 174.4630 59 E 4.0584 8.7760 129.1024 58.6451 29.3977 177.7471 60 D 4.4021 8.1890 118.1580 57.3959 41.3064 177.6510 61 L 3.0535 7.7281 120.5387 57.7985 41.9752 178.7920 62 K 3.8500 7.9564 119.5621 59.4779 32.1510 178.8583 63 K 4.0475 8.6734 119.3799 60.0012 32.4451 178.4725 64 H 4.3162 8.5853 119.7350 59.2962 29.7623 177.3889 65 G 3.7074 8.2296 107.4332 47.8373 0.0000 175.7283 66 V 3.6154 7.8805 120.5621 66.0220 31.6737 178.2411 67 T 3.8993 8.0855 115.4682 66.6696 68.3391 176.4834 68 E 3.9999 8.2608 120.2828 59.6281 29.5623 179.5666 69 L 4.2557 8.2647 119.0710 57.9179 41.6314 179.7715 70 T 3.9600 8.3783 116.0913 66.5873 68.4168 176.4761 71 A 4.0810 7.9187 122.3221 55.1313 18.3643 179.5010 72 L 3.7021 8.0749 119.0256 57.8516 42.0897 179.2616 73 G 3.0404 8.3774 105.9706 47.6873 0.0000 175.5336 74 A 3.9716 7.7235 122.0923 54.6039 18.6995 179.5977 75 I 3.7428 7.5086 118.4149 64.5920 37.1279 178.6516 76 L 3.9452 7.8618 120.1662 57.6479 41.1670 179.6153 77 K 3.9058 7.5719 116.9773 58.4504 32.2962 178.8627 78 K 3.8940 7.7529 118.2328 56.2593 32.6305 176.5517 79 K 2.0000 8.3553 118.6634 56.3621 29.7047 175.5303 80 G 3.9216 7.7329 105.8554 45.6743 0.0000 173.4961 81 H 4.4941 7.3195 121.2674 55.0001 28.2322 174.0963 82 H 4.9456 7.5053 114.0067 54.8614 29.7693 176.4472 83 E 3.9649 8.5540 123.0379 60.0856 29.0502 178.5692 84 A 4.0389 7.9810 119.3063 54.8868 17.6574 178.5339 85 E 4.1490 8.0943 117.2392 58.9544 29.9490 178.4921 86 L 4.3547 8.1345 119.1494 57.3916 41.5107 179.5506 87 K 3.9571 8.0025 118.3324 59.2144 32.0689 177.6057 88 P 4.2653 0.0000 0.0000 65.2901 31.2043 178.5538 89 L 4.0156 7.5760 119.4002 58.0893 42.0513 178.7278 90 A 4.2652 8.4585 121.2192 55.2892 18.3108 179.1976 91 Q 3.9067 8.3891 118.4259 59.5615 29.1119 178.9713 92 S 4.1050 8.1325 115.1328 61.7486 63.1952 176.0035 93 H 4.4058 8.7728 119.5509 57.9285 28.2753 177.5728 94 A 3.3240 8.4279 122.7347 54.2787 18.5361 178.7695 95 T 4.2247 7.5945 106.2452 62.6881 69.9515 176.0509 96 K 4.2041 7.5193 119.0684 58.5830 32.9566 177.5132 97 H 4.4280 8.2359 113.4987 56.1243 29.0496 175.8462 98 K 3.5599 7.6357 113.9756 56.9843 28.6163 171.9683 99 I 4.3134 8.4364 119.4560 58.1530 38.7956 174.3434 100 P 4.5310 0.0000 0.0000 62.4520 31.9667 177.4853 101 I 3.6213 8.5137 121.5312 64.5601 36.9214 178.7471 102 K 3.9906 7.8140 121.2436 59.0797 31.8838 178.3144 103 Y 4.1421 7.9854 117.1241 60.8482 37.7609 178.2241 104 L 4.1267 7.9063 119.6840 57.6460 41.8360 179.2407 105 E 3.9841 8.1351 118.5670 59.4923 29.4745 179.0429 106 F 4.5757 7.8954 117.8057 61.0006 38.9077 177.4725 107 E 4.0330 8.6769 118.7702 59.4959 29.3880 179.0858 108 S 4.2144 8.2904 115.2480 61.5292 62.8469 176.5251 109 E 4.0122 8.6930 121.4272 59.1880 29.1408 178.8453 110 A 3.9863 8.0388 120.8906 55.4938 18.3378 179.5972 111 I 3.6359 8.0097 118.0506 64.8287 37.2659 178.7956 112 I 3.8525 8.0314 120.5207 64.4875 36.8535 177.9517 113 H 3.6929 8.3967 119.1812 59.3291 29.6456 177.6016 114 V 3.5117 8.0934 120.2988 65.7887 31.2308 177.8931 115 L 3.7602 8.1380 119.5761 57.7762 41.0363 179.2240 116 H 4.4585 7.8587 114.3685 58.7855 28.7087 177.5138 117 S 4.2638 8.0173 117.0700 61.4377 62.7925 176.5203 118 R 4.0931 7.9637 119.0737 57.5649 30.9160 176.4285 119 H 5.0244 8.3336 116.1285 53.9351 30.0645 173.2956 120 P 4.2984 0.0000 0.0000 66.1699 31.2910 178.3866 121 G 3.8915 8.0841 103.9316 46.1123 0.0000 173.1104 122 D 4.9810 8.5483 118.0016 53.6956 42.8580 176.2837 123 F 5.0151 8.1684 119.9234 56.1527 39.4382 173.7623 124 G 3.8856 7.6553 110.0566 43.3349 0.0000 171.7860 125 A 3.8859 8.4515 120.9144 55.7993 18.2263 179.7264 126 D 4.2487 7.9844 116.0169 57.0539 40.8755 178.7823 127 A 4.0106 7.7734 121.1755 54.8953 18.3909 179.2499 128 Q 3.4355 7.7165 116.9792 59.0293 28.7390 179.5145 129 G 3.5758 8.2163 106.5281 47.8277 0.0000 175.5404 130 A 3.8416 7.7613 122.7358 55.0326 18.4167 179.4670 131 M 4.1140 8.3959 117.1437 58.7261 32.3481 177.9111 132 N 4.4071 8.5406 117.6475 56.6403 39.0986 177.0550 133 K 4.0353 8.2026 119.8684 59.1638 32.1109 179.2027 134 A 3.9033 8.3709 121.3755 55.3229 18.3856 179.8130 135 L 4.1281 8.4477 117.9086 57.7600 41.6141 179.3477 136 E 3.9772 8.8998 119.9024 59.1164 29.5309 178.6443 137 L 3.9892 8.1770 120.5291 58.0554 42.1039 178.6772 138 F 4.1879 8.4600 120.6671 61.4589 39.2503 177.3837 139 R 3.4659 8.2229 117.6852 58.7828 29.7878 179.1147 140 K 3.8475 8.1053 118.3332 59.7548 32.2473 179.1808 141 D 4.3256 8.1419 119.0235 57.2902 40.6429 178.6240 142 I 3.6089 7.8104 119.0638 63.2301 37.8606 177.7085 143 A 3.5447 7.7358 121.9761 54.8308 18.1214 179.4625 144 A 3.9311 7.9036 119.3542 55.1630 18.5053 179.9521 145 K 4.3907 7.7700 117.8898 59.2260 31.8811 178.9028 146 Y 4.2940 8.0283 116.2158 61.4147 38.1509 178.8839 147 K 4.4037 8.1063 120.4194 58.9823 32.0542 179.1118 148 E 4.0584 8.2696 118.9187 59.2315 29.1691 178.5505 149 L 4.3343 7.4452 115.6631 53.8979 42.3041 177.7831 150 G 3.4209 7.3906 105.8125 46.2841 0.0000 172.8246 151 Y 3.7809 8.0871 120.3949 57.2421 37.3401 169.3614 152 Q 4.4792 8.3562 119.3928 53.9920 30.9593 176.4781 153 G 4.1164 8.6790 106.8883 46.4027 0.0000 173.4872 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 V 8.05 4.20 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 0.94 0.00 0.00 1.05 0.00 0.00 2 L 8.14 4.52 0.00 0.72 0.44 0.62 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.92 4.39 0.00 4.03 3.97 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 4 E 8.85 4.31 0.00 2.19 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 2.44 2.51 0.00 5 G 8.07 3.60 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 0.00 6 E 8.25 3.89 0.00 1.96 1.67 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 2.20 2.25 0.00 7 W 7.99 4.47 0.00 3.55 3.16 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 0.00 8 Q 8.57 4.13 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.88 0.00 9 L 7.83 4.13 0.00 1.88 1.77 0.93 1.20 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 10 V 7.96 3.74 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 1.24 0.00 0.00 0.93 0.00 0.00 11 L 8.51 4.29 0.00 1.83 1.80 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.50 4.26 0.00 3.37 3.45 0.00 5.77 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.01 3.76 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 1.27 0.00 0.00 1.19 0.00 0.00 14 W 8.50 3.84 0.00 3.60 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 15 A 8.09 3.97 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 16 K 7.45 3.93 0.00 1.57 1.53 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.37 7.81 17 V 6.99 2.85 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 0.00 0.00 0.10 0.00 0.00 0.07 0.00 0.00 18 E 7.69 3.82 0.00 2.04 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 2.34 2.34 0.00 19 A 7.37 4.23 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 20 D 7.86 4.65 0.00 2.64 2.52 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 21 V 7.93 3.42 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 8.07 4.06 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 23 G 8.33 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 0.00 0.00 0.00 24 H 8.26 4.11 0.00 3.18 3.22 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.26 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 26 Q 8.17 3.95 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 27 D 8.17 4.28 0.00 2.74 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 28 I 8.05 3.65 1.81 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 1.47 0.50 0.78 0.00 0.00 29 H 8.08 3.56 0.00 3.03 2.56 0.00 5.82 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 30 I 7.68 3.59 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.93 0.00 0.00 31 R 7.87 3.77 0.00 1.93 2.08 0.00 3.01 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 32 L 8.12 3.90 0.00 1.69 1.50 1.05 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.42 4.59 0.00 2.99 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 34 K 7.75 4.05 0.00 1.69 1.84 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.77 7.81 35 S 8.07 4.40 0.00 3.80 3.67 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 36 H 8.09 4.57 0.00 2.96 2.91 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.69 0.00 2.15 2.10 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.18 4.09 0.00 2.29 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 0.00 2.19 2.57 0.00 39 T 7.88 3.74 4.66 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 1.63 0.00 0.00 40 L 7.96 3.39 0.00 1.27 1.63 0.04 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.61 3.80 0.00 2.08 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 2.56 2.55 0.00 42 K 7.75 4.27 0.00 2.07 1.97 0.00 2.08 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.73 1.97 7.81 43 H 7.82 4.57 0.00 3.25 3.29 0.00 5.85 0.00 0.00 0.00 0.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.85 4.22 0.00 2.60 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 45 R 7.58 3.88 0.00 1.42 1.20 0.00 3.06 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 46 F 7.67 5.08 0.00 3.06 2.82 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 47 K 8.23 3.95 0.00 1.81 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 48 H 8.12 4.54 0.00 3.28 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.59 4.30 0.00 1.89 1.68 0.81 0.72 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 50 K 10.33 4.34 0.00 1.85 1.85 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 51 T 7.12 4.76 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 1.28 0.00 0.00 52 E 8.66 3.93 0.00 2.03 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 0.00 2.36 2.37 0.00 53 A 7.96 3.96 1.32 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 0.00 0.00 54 E 8.12 3.90 0.00 2.15 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 2.32 2.42 0.00 55 M 8.08 4.16 0.00 2.05 2.35 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 56 K 8.13 3.96 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.89 4.41 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 58 S 7.44 4.29 0.00 3.83 3.86 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 59 E 8.78 4.06 0.00 2.14 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 2.39 2.43 0.00 60 D 8.19 4.40 0.00 2.95 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 61 L 7.73 3.05 0.00 1.33 1.37 0.80 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.96 3.85 0.00 1.84 1.92 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.67 4.05 0.00 2.02 2.09 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.80 1.58 7.81 64 H 8.59 4.32 0.00 3.60 3.61 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.23 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 0.00 0.00 0.00 66 V 7.88 3.62 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 1.14 0.00 0.00 1.00 0.00 0.00 67 T 8.09 3.90 4.47 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 1.28 0.00 0.00 68 E 8.26 4.00 0.00 2.05 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 2.40 2.40 0.00 69 L 8.26 4.26 0.00 1.88 1.93 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.38 3.96 4.48 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 1.25 0.00 0.00 71 A 7.92 4.08 1.42 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 0.00 0.00 72 L 8.07 3.70 0.00 1.55 1.68 0.16 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.38 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 0.00 0.00 0.00 74 A 7.72 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 75 I 7.51 3.74 1.81 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 1.52 1.27 0.85 0.00 0.00 76 L 7.86 3.95 0.00 1.19 1.59 -0.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.57 3.91 0.00 1.63 1.78 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 78 K 7.75 3.89 0.00 1.86 1.80 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.52 7.81 79 K 8.36 2.00 0.00 1.10 0.74 0.00 1.33 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.35 0.92 7.81 80 G 7.73 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 0.00 0.00 0.00 81 H 7.32 4.49 0.00 3.06 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.51 4.95 0.00 3.31 3.42 0.00 5.54 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 83 E 8.55 3.96 0.00 2.08 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 2.41 2.41 0.00 84 A 7.98 4.04 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 85 E 8.09 4.15 0.00 2.02 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 2.35 2.32 0.00 86 L 8.13 4.35 0.00 2.03 1.70 1.03 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.00 3.96 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.67 7.81 88 P 0.00 4.27 0.00 2.20 2.13 0.00 3.81 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 2.14 2.16 0.00 89 L 7.58 4.02 0.00 2.01 1.89 0.92 1.15 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 A 8.46 4.27 1.50 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 0.00 0.00 91 Q 8.39 3.91 0.00 2.42 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.13 4.10 0.00 4.06 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 93 H 8.77 4.41 0.00 3.62 3.66 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.43 3.32 0.71 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 0.00 0.00 95 T 7.59 4.22 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 1.16 0.00 0.00 96 K 7.52 4.20 0.00 1.66 1.72 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.45 7.81 97 H 8.24 4.43 0.00 3.06 3.29 0.00 5.80 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.64 3.56 0.00 1.77 1.71 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81 99 I 8.44 4.31 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 1.15 0.00 0.00 100 P 0.00 4.53 0.00 1.93 1.98 0.00 2.99 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.42 0.00 101 I 8.51 3.62 1.81 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.97 0.79 0.00 0.00 102 K 7.81 3.99 0.00 1.69 1.66 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.48 1.10 7.81 103 Y 7.99 4.14 0.00 3.24 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 0.00 104 L 7.91 4.13 0.00 1.95 1.75 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.14 3.98 0.00 2.06 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 2.33 2.31 0.00 106 F 7.90 4.58 0.00 3.16 2.88 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 0.00 107 E 8.68 4.03 0.00 2.16 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 0.00 2.39 2.40 0.00 108 S 8.29 4.21 0.00 4.17 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 0.00 109 E 8.69 4.01 0.00 2.21 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 2.43 2.67 0.00 110 A 8.04 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.64 2.09 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 1.57 0.89 1.03 0.00 0.00 112 I 8.03 3.85 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.95 1.16 0.00 0.00 113 H 8.40 3.69 0.00 3.24 3.41 0.00 5.59 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 0.00 114 V 8.09 3.51 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 0.92 0.00 0.00 0.93 0.00 0.00 115 L 8.14 3.76 0.00 1.30 0.22 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.86 4.46 0.00 3.47 3.81 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.02 4.26 0.00 3.89 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 0.00 118 R 7.96 4.09 0.00 1.65 1.51 0.00 2.57 0.00 0.00 2.83 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 119 H 8.33 5.02 0.00 3.19 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.30 0.00 2.23 2.33 0.00 3.76 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 121 G 8.08 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 0.00 122 D 8.55 4.98 0.00 2.67 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 0.00 123 F 8.17 5.02 0.00 3.00 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 0.00 124 G 7.66 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 0.00 125 A 8.45 3.89 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 0.00 126 D 7.98 4.25 0.00 2.69 2.68 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 0.00 0.00 0.00 0.00 127 A 7.77 4.01 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 0.00 128 Q 7.72 3.44 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 1.97 1.22 0.00 129 G 8.22 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 3.84 1.37 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 0.00 0.00 0.00 131 M 8.40 4.11 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 132 N 8.54 4.41 0.00 2.96 2.80 0.00 0.00 7.21 7.24 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 0.00 133 K 8.20 4.04 0.00 1.82 1.67 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.56 7.81 134 A 8.37 3.90 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 0.00 135 L 8.45 4.13 0.00 1.74 1.85 1.02 0.71 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 0.00 136 E 8.90 3.98 0.00 1.99 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 0.00 2.32 2.32 0.00 137 L 8.18 3.99 0.00 1.87 1.96 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.46 4.19 0.00 3.14 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 0.00 139 R 8.22 3.47 0.00 1.99 1.84 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.05 0.00 140 K 8.11 3.85 0.00 1.89 1.82 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.65 7.81 141 D 8.14 4.33 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.61 1.20 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.39 0.19 0.00 0.00 143 A 7.74 3.54 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 0.00 144 A 7.90 3.93 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 0.00 145 K 7.77 4.39 0.00 1.96 1.91 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.47 7.81 146 Y 8.03 4.29 0.00 2.93 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 0.00 147 K 8.11 4.40 0.00 1.98 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.51 7.81 148 E 8.27 4.06 0.00 2.21 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 2.32 2.36 0.00 149 L 7.45 4.33 0.00 1.71 1.59 0.96 1.09 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 0.00 150 G 7.39 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 0.00 0.00 0.00 151 Y 8.09 3.78 0.00 3.12 2.82 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 0.00 152 Q 8.36 4.48 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 153 G 8.68 4.12 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