NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2174 8.3301 116.7955 59.4414 63.6026 170.8804 2 A 3.6114 8.4514 130.0673 49.3672 17.4250 173.9581 3 E 3.7518 7.9986 115.0699 56.3537 27.6759 171.2557 4 L 4.7425 7.7894 119.7590 53.1102 44.8040 174.8472 5 H 4.9169 8.5425 124.3744 54.5102 33.2333 172.2333 6 L 5.0593 8.3032 124.3359 53.5051 44.7913 175.0376 7 E 4.7290 8.1829 116.4616 55.3669 33.3094 173.6993 8 S 5.2474 8.6353 120.4666 56.5180 64.8064 173.6543 9 R 4.0893 8.2568 120.6516 56.0982 29.4689 177.0880 10 G 4.0970 7.8765 116.6196 46.6078 0.0000 173.2454 11 G 3.4837 7.2010 111.6220 44.3795 0.0000 172.9309 12 S 4.6801 7.4229 116.8464 59.3085 66.3297 174.7766 13 G 4.4442 8.1726 105.9041 43.7387 0.0000 171.9538 14 T 4.3497 8.2701 114.5289 62.0125 70.3776 173.0289 15 Q 4.7633 8.0096 120.1693 53.7767 27.9138 172.9779 16 L 4.4057 7.8263 122.9320 53.7531 44.2605 176.0954 17 R 4.4860 8.3684 125.9272 54.5394 32.7616 175.3821 18 D 4.5441 8.4400 119.8548 54.7549 39.9572 176.7212 19 G 3.7881 8.6579 109.8801 45.6171 0.0000 172.8159 20 A 4.4087 7.3406 122.0692 50.5745 19.7982 178.2474 21 K 4.9044 8.2271 121.3585 55.8082 33.0934 176.6789 22 V 4.2364 8.3323 110.8602 62.5068 34.1245 175.4953 23 A 4.8645 7.6229 119.6274 50.7625 22.8198 175.1537 24 T 4.4987 9.2105 116.7096 62.4595 71.5104 173.7466 25 G 4.3208 7.6689 114.6930 44.2668 0.0000 169.2997 26 R 5.1403 8.6783 114.9103 54.3031 32.8691 174.4461 27 I 5.0018 8.7430 121.3544 59.2579 41.7159 173.7028 28 I 5.8961 8.2046 117.9151 58.7148 41.1006 173.9218 29 C 4.4545 8.6472 121.1830 56.9118 46.6119 172.1713 30 R 4.1125 8.7546 119.6954 55.8569 31.3666 179.4848 31 E 4.4728 7.8963 124.0319 55.0257 32.8109 174.6057 32 A 3.8814 8.4150 122.6986 53.7927 18.5725 176.6151 33 H 4.8482 8.1480 121.1285 55.2809 33.0134 172.8241 34 T 4.4623 8.0574 109.0197 60.6836 69.3820 173.4406 35 G 3.9751 7.4259 109.0460 45.7945 0.0000 174.0668 36 F 4.4845 9.4871 127.3426 55.9431 38.5257 172.4091 37 H 4.8645 8.9255 118.2650 55.6254 29.9134 174.2018 38 V 4.4206 8.8064 122.7510 59.3617 35.1311 174.5844 39 W 5.6241 7.6063 118.7368 55.7300 32.0030 175.0210 40 M 4.3027 8.7207 117.2246 55.5763 34.5941 173.4260 41 N 4.5169 8.6383 118.7074 53.3447 36.2982 172.2165 42 E 4.7492 7.6050 117.6517 55.6110 34.9589 177.3342 43 R 4.6153 7.3726 119.2034 55.1243 32.6134 174.3771 44 Q 4.2446 7.8182 120.1553 55.0562 30.0449 176.9651 45 V 4.0934 8.1718 120.8763 62.4660 31.3495 177.2717 46 D 4.3193 7.9547 129.4957 55.4643 39.6977 174.7412 47 G 3.9532 8.9044 115.6397 46.5876 0.0000 173.2044 48 R 4.0177 7.8057 119.5054 56.1183 29.6614 176.0672 49 A 4.6818 8.6731 126.5922 52.5313 20.7150 176.8106 50 E 4.3916 9.0030 113.3257 53.5424 30.0054 175.2576 51 R 4.4194 6.2536 124.6879 56.7851 32.1871 172.2628 52 Y 4.9173 7.0071 121.3142 55.8234 41.7984 174.2153 53 V 4.1333 8.5982 122.9894 61.4989 32.0000 176.2675 54 V 4.2867 8.5521 120.0543 60.8913 33.3347 175.0251 55 Q 5.3159 8.5138 119.2168 54.3076 32.0729 175.1285 56 S 4.3643 8.4921 115.0227 57.3259 64.5123 175.3459 57 K 3.8796 8.7996 121.6397 59.3939 31.8118 176.9926 58 D 4.4447 7.9664 114.8053 53.3799 41.4803 175.4721 59 G 3.9393 7.4279 106.9646 46.0534 0.0000 173.0913 60 R 4.5485 7.5108 115.2256 56.9065 34.9550 175.5565 61 H 5.2022 8.3693 117.1525 53.9826 32.4500 172.1466 62 E 5.0979 9.0732 121.1717 54.8478 32.0915 175.5127 63 L 4.6062 9.0679 124.0262 53.2341 45.1665 175.5051 64 R 4.4608 8.5762 126.2957 56.2748 30.0525 176.2650 65 V 4.6575 8.0535 116.0257 59.3964 35.3109 176.2236 66 R 4.3375 9.2190 128.0917 55.3125 27.0809 176.1836 67 T 3.8888 7.4785 116.4494 63.7491 68.4308 176.5634 68 G 3.1902 7.5513 109.5238 47.1195 0.0000 174.0875 69 G 3.9236 7.2300 107.2660 44.2631 0.0000 173.3680 70 D 4.8366 8.3010 123.0188 54.8233 40.5881 175.9592 71 G 4.2597 8.0783 105.5343 45.0419 0.0000 172.1535 72 W 4.7631 8.4323 118.9819 55.0765 31.9933 176.2101 73 S 4.7425 9.0049 116.4774 56.2874 66.1281 172.6298 74 P 4.6855 0.0000 0.0000 62.1768 29.9582 176.5522 75 V 4.3688 7.3957 122.4342 60.3109 31.9689 175.4305 76 K 4.0202 8.5157 121.5817 56.0393 31.6369 175.2072 77 G 4.3466 7.9589 106.0676 46.0454 0.0000 171.9582 78 E 4.0421 7.6999 120.0254 54.9756 31.0610 174.6337 79 G 3.9500 9.5412 120.0874 45.1378 0.0000 174.6963 80 G 4.0869 7.1275 108.2077 44.1655 0.0000 173.5246 81 K 3.6636 8.4878 121.8137 56.9947 31.4148 174.3798 82 G 4.9779 7.8306 104.8394 45.7129 0.0000 172.4320 83 V 4.9220 8.0876 111.7141 59.9698 36.9129 174.6772 84 S 5.7374 9.5967 118.5579 56.0241 65.7046 174.2605 85 R 4.3993 7.7430 121.0801 53.5414 32.0942 172.8167 86 P 4.3524 0.0000 0.0000 61.3266 31.8298 177.1653 87 G 3.1152 7.9599 117.2951 45.6456 0.0000 173.9158 88 Q 4.2451 8.0085 117.5894 56.7018 29.9276 176.7589 89 E 4.5051 7.9907 116.8060 55.5785 31.0916 175.5795 90 E 4.4606 8.4856 118.2062 58.1916 31.4042 176.4031 91 Q 5.3779 7.6454 119.1266 56.2154 31.5885 173.7270 92 V 4.0480 7.7253 118.7577 59.3381 36.0972 174.2673 93 F 5.3257 8.2680 119.8599 55.7973 41.5657 175.9969 94 F 5.1253 7.6923 116.5840 55.1124 39.3871 173.7114 95 D 4.7210 8.7411 124.3193 53.0404 40.9607 176.7863 96 V 4.0886 8.0661 115.8628 60.0218 32.5609 174.7092 97 M 4.5873 8.3104 126.1717 54.7828 33.3073 175.4799 98 A 4.6134 9.5221 128.2938 50.5392 20.1900 177.5233 99 D 4.5266 8.0578 125.8200 53.0135 37.8181 177.9827 100 G 3.4538 8.1722 109.5845 48.5110 0.0000 172.1300 101 N 3.9890 8.0289 125.3125 51.5640 37.2978 174.1031 102 Q 4.5334 7.3948 121.6655 54.5769 32.7292 170.8423 103 D 5.1193 8.3559 117.1527 52.6013 43.4074 176.7033 104 I 4.5858 7.8400 118.7142 58.9666 39.4970 175.4149 105 A 4.2267 8.4423 126.8388 50.9047 19.2649 175.5861 106 P 4.1937 0.0000 0.0000 63.2731 31.9334 176.6752 107 G 3.8758 7.6836 109.5996 45.5889 0.0000 170.2617 108 E 4.9037 7.7866 119.7277 54.5963 33.2434 175.3910 109 Y 4.7136 8.6009 124.4893 56.4253 39.8659 174.3270 110 R 4.7435 8.2402 125.0701 54.4931 31.7260 175.2282 111 F 5.2207 9.0252 124.8115 55.2102 42.5882 175.5976 112 S 5.9041 8.5706 116.5212 57.2606 62.5839 175.3379 113 V 4.5171 7.4247 120.1119 61.6371 32.8750 176.3679 114 G 4.2203 8.1204 109.3812 46.0547 0.0000 171.8367 115 G 3.9675 8.2890 105.5552 45.9173 0.0000 172.7486 116 A 4.6058 8.2630 119.8866 50.9355 21.0886 177.7669 117 C 4.4078 8.8700 119.0221 57.4873 43.1864 173.9397 118 V 3.6713 7.5913 110.6664 61.6541 31.6712 175.8323 119 V 4.4121 7.9423 122.1500 59.6343 33.7521 175.5284 120 P 4.8953 0.0000 0.0000 62.5760 30.4225 179.9055 121 Q 4.3421 8.5291 110.5702 54.6760 26.7525 174.2779 122 E 4.5950 7.7806 125.5076 55.4952 33.9309 174.4791 123 D 4.6064 8.5904 118.6541 54.6288 39.3610 173.6307 124 N 4.3579 8.6408 130.0704 51.7418 43.2300 177.1494 125 K 3.8102 8.7626 118.8482 55.9500 32.3451 178.4112 126 Q 3.1628 8.5630 116.1223 55.8678 28.0905 174.4221 127 G 3.5485 8.4026 113.8370 44.3783 0.0000 172.7438 128 F 4.1638 8.0927 121.9230 57.4406 37.1179 175.6344 129 T 4.5612 8.2151 122.6516 61.1093 69.0883 172.0950 130 P 4.7530 0.0000 0.0000 62.5647 31.6528 176.8956 131 S 4.5495 7.8707 114.0273 57.1948 65.8979 173.3761 132 G 4.6158 8.6869 113.1741 44.7413 0.0000 173.4915 133 T 4.5349 8.8700 115.2874 62.0005 69.7768 173.5863 134 T 4.9255 8.6875 113.0405 60.2503 71.9989 172.6589 135 G 4.6559 8.4503 107.7730 43.7601 0.0000 171.8226 136 T 5.1373 8.3696 115.1451 62.3051 72.0190 174.0172 137 T 4.8054 9.2398 123.9230 61.4248 72.0049 173.3357 138 K 4.7560 8.7977 125.1752 54.9746 35.4124 176.0462 139 L 5.3272 8.0937 123.1847 52.6240 42.0441 173.7179 140 T 4.6964 7.9505 117.5850 62.1852 70.0996 174.4516 141 V 4.0014 7.9491 126.5938 61.7427 32.0723 176.1425 142 T 4.1903 8.4314 123.9396 63.7753 68.5437 174.8454 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 S 8.33 4.22 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.45 3.61 1.43 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 0.00 0.00 3 E 8.00 3.75 0.00 2.12 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 2.24 2.43 0.00 4 L 7.79 4.74 0.00 1.61 1.57 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 5 H 8.54 4.92 0.00 3.40 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.30 5.06 0.00 1.55 1.59 1.01 0.94 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 7 E 8.18 4.73 0.00 2.10 1.89 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 2.20 2.26 0.00 8 S 8.64 5.25 0.00 3.93 3.72 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 9 R 8.26 4.09 0.00 1.84 1.98 0.00 3.19 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 10 G 7.88 4.10 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 0.00 0.00 0.00 11 G 7.20 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 0.00 0.00 0.00 12 S 7.42 4.68 0.00 3.89 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 13 G 8.17 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.27 4.35 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 1.22 0.00 0.00 15 Q 8.01 4.76 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 16 L 7.83 4.41 0.00 1.72 1.50 0.86 0.83 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 17 R 8.37 4.49 0.00 1.79 1.83 0.00 3.17 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 18 D 8.44 4.54 0.00 2.76 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 19 G 8.66 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 4.41 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.23 4.90 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.38 7.81 22 V 8.33 4.24 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 0.86 0.00 0.00 0.87 0.00 0.00 23 A 7.62 4.86 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 24 T 9.21 4.50 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 1.06 0.00 0.00 25 G 7.67 4.32 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 0.00 26 R 8.68 5.14 0.00 1.77 2.17 0.00 3.08 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.94 0.00 27 I 8.74 5.00 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.88 0.58 0.00 0.00 28 I 8.20 5.90 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.93 0.00 0.00 29 C 8.65 4.45 0.00 2.69 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 30 R 8.75 4.11 0.00 1.74 1.66 0.00 3.19 0.00 0.00 3.15 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 31 E 7.90 4.47 0.00 2.13 1.87 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 2.30 2.25 0.00 32 A 8.42 3.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.15 4.85 0.00 3.09 2.94 0.00 5.89 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 34 T 8.06 4.46 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 1.15 0.00 0.00 35 G 7.43 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 0.00 0.00 0.00 36 F 9.49 4.48 0.00 2.65 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 37 H 8.93 4.86 0.00 3.33 3.64 0.00 5.85 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 38 V 8.81 4.42 1.62 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 0.64 0.00 0.00 0.34 0.00 0.00 39 W 7.61 5.62 0.00 3.30 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.72 4.30 0.00 1.96 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 41 N 8.64 4.52 0.00 2.98 2.93 0.00 0.00 6.81 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 42 E 7.60 4.75 0.00 2.09 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 2.25 2.39 0.00 43 R 7.37 4.62 0.00 1.72 1.85 0.00 3.43 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 44 Q 7.82 4.24 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.89 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 45 V 8.17 4.09 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 1.12 0.00 0.00 0.98 0.00 0.00 46 D 7.95 4.32 0.00 2.88 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 0.00 0.00 0.00 47 G 8.90 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 48 R 7.81 4.02 0.00 1.97 2.19 0.00 3.31 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 49 A 8.67 4.68 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 50 E 9.00 4.39 0.00 1.87 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 2.05 2.08 0.00 51 R 6.25 4.42 0.00 1.71 1.84 0.00 3.35 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.14 0.00 52 Y 7.01 4.92 0.00 2.98 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 53 V 8.60 4.13 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 0.73 0.00 0.00 0.99 0.00 0.00 54 V 8.55 4.29 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 0.87 0.00 0.00 1.26 0.00 0.00 55 Q 8.51 5.32 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 56 S 8.49 4.36 0.00 3.66 3.28 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 57 K 8.80 3.88 0.00 1.68 1.77 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.32 7.81 58 D 7.97 4.44 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 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 60 R 7.51 4.55 0.00 1.75 1.89 0.00 2.86 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 0.00 61 H 8.37 5.20 0.00 3.07 3.39 0.00 5.60 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 62 E 9.07 5.10 0.00 2.04 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 2.26 2.28 0.00 63 L 9.07 4.61 0.00 1.59 1.61 0.66 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.58 4.46 0.00 1.79 1.82 0.00 3.13 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 65 V 8.05 4.66 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 0.60 0.00 0.00 0.91 0.00 0.00 66 R 9.22 4.34 0.00 1.54 1.78 0.00 3.23 0.00 0.00 3.09 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 67 T 7.48 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 68 G 7.55 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.23 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 70 D 8.30 4.84 0.00 2.84 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 71 G 8.08 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 72 W 8.43 4.76 0.00 3.14 3.17 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 0.00 73 S 9.00 4.74 0.00 3.81 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 74 P 0.00 4.69 0.00 2.10 2.17 0.00 3.49 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 2.02 2.16 0.00 75 V 7.40 4.37 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 0.88 0.00 0.00 0.97 0.00 0.00 76 K 8.52 4.02 0.00 2.02 1.92 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.46 7.81 77 G 7.96 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 0.00 0.00 0.00 0.00 78 E 7.70 4.04 0.00 1.16 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 1.81 1.80 0.00 79 G 9.54 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 80 G 7.13 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 81 K 8.49 3.66 0.00 1.93 1.97 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.38 7.81 82 G 7.83 4.98 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 0.00 0.00 0.00 83 V 8.09 4.92 2.41 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 1.06 0.00 0.00 0.94 0.00 0.00 84 S 9.60 5.74 0.00 3.68 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 85 R 7.74 4.40 0.00 1.10 0.66 0.00 2.77 0.00 0.00 2.99 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.42 0.00 86 P 0.00 4.35 0.00 1.92 2.09 0.00 3.51 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 87 G 7.96 3.12 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 88 Q 8.01 4.25 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 89 E 7.99 4.51 0.00 2.13 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 2.30 2.26 0.00 90 E 8.49 4.46 0.00 1.93 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 2.35 2.30 0.00 91 Q 7.65 5.38 0.00 1.97 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.78 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 92 V 7.73 4.05 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 0.57 0.00 0.00 -0.31 0.00 0.00 93 F 8.27 5.33 0.00 2.77 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 94 F 7.69 5.13 0.00 3.19 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.74 4.72 0.00 2.66 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 96 V 8.07 4.09 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 0.83 0.00 0.00 0.77 0.00 0.00 97 M 8.31 4.59 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.51 0.00 98 A 9.52 4.61 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 99 D 8.06 4.53 0.00 2.67 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 0.00 100 G 8.17 3.45 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 0.00 101 N 8.03 3.99 0.00 2.86 2.84 0.00 0.00 7.57 6.95 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 0.00 102 Q 7.39 4.53 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 103 D 8.36 5.12 0.00 2.68 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 0.00 104 I 7.84 4.59 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.84 0.00 0.00 105 A 8.44 4.23 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.19 0.00 2.06 2.05 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 107 G 7.68 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.79 4.90 0.00 1.91 1.62 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 2.19 2.25 0.00 109 Y 8.60 4.71 0.00 2.79 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 0.00 110 R 8.24 4.74 0.00 1.69 1.73 0.00 3.15 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.68 0.00 111 F 9.03 5.22 0.00 2.94 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 0.00 112 S 8.57 5.90 0.00 3.96 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 0.00 113 V 7.42 4.52 2.16 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 0.91 0.00 0.00 1.04 0.00 0.00 114 G 8.12 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.29 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 0.00 0.00 0.00 116 A 8.26 4.61 1.38 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 0.00 117 C 8.87 4.41 0.00 3.31 3.37 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 0.00 118 V 7.59 3.67 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 1.02 0.00 0.00 119 V 7.94 4.41 2.23 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 0.89 0.00 0.00 0.99 0.00 0.00 120 P 0.00 4.90 0.00 2.23 1.72 0.00 3.81 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 2.01 1.96 0.00 121 Q 8.53 4.34 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 122 E 7.78 4.60 0.00 2.02 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 2.30 2.30 0.00 123 D 8.59 4.61 0.00 2.62 2.62 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 0.00 124 N 8.64 4.36 0.00 2.71 2.79 0.00 0.00 7.24 6.70 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 0.00 125 K 8.76 3.81 0.00 1.98 1.66 0.00 2.07 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.57 7.81 126 Q 8.56 3.16 0.00 2.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 127 G 8.40 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 F 8.09 4.16 0.00 3.09 3.11 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 0.00 0.00 0.00 0.00 129 T 8.22 4.56 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 1.31 0.00 0.00 130 P 0.00 4.75 0.00 2.20 2.17 0.00 3.80 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 2.03 2.04 0.00 131 S 7.87 4.55 0.00 3.90 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 0.00 132 G 8.69 4.62 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 0.00 133 T 8.87 4.53 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 134 T 8.69 4.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 135 G 8.45 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 0.00 0.00 0.00 0.00 136 T 8.37 5.14 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 1.24 0.00 0.00 137 T 9.24 4.81 4.54 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 1.34 0.00 0.00 138 K 8.80 4.76 0.00 2.02 1.73 0.00 1.50 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.38 7.81 139 L 8.09 5.33 0.00 1.99 1.73 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.95 4.70 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 1.21 0.00 0.00 141 V 7.95 4.00 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 0.92 0.00 0.00 1.04 0.00 0.00 142 T 8.43 4.19 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 1.22 0.00 0.00