NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.3172 8.1233 123.5836 51.5841 20.1861 177.1243 6 L 3.7630 8.5604 121.0218 57.7004 41.6127 178.4823 7 R 3.9678 7.8865 118.4188 59.3240 30.5528 177.9035 8 E 4.0775 8.1275 117.0803 59.1200 29.8689 178.6601 9 Q 4.0014 8.3365 119.3027 58.7825 28.6997 178.8289 10 L 3.9635 7.9883 121.0824 58.2851 42.1191 178.5840 11 N 4.3269 8.1494 116.1897 56.4615 38.4383 177.2383 12 A 4.0492 7.9891 121.7053 54.6800 18.5941 179.3409 13 L 3.8683 8.1173 118.9708 58.3372 42.2071 179.0510 14 L 4.0348 8.1738 119.0397 58.1277 41.6837 179.5819 15 S 4.2746 8.5016 113.1877 61.4653 62.3494 176.1034 16 S 4.1252 8.3829 115.9917 61.6497 62.0425 176.0401 17 M 3.9025 8.1777 121.4498 58.2702 31.5578 178.8825 18 F 4.2578 8.1829 117.6265 60.5951 38.9945 177.5438 19 A 4.0460 7.9808 120.0660 55.4004 18.2048 178.4736 20 S 4.3708 7.9518 108.3985 58.3238 63.0476 174.7823 21 G 3.9422 8.3470 108.6834 46.4198 0.0000 175.4008 22 L 3.9949 7.5932 122.5139 56.4162 41.8460 177.7290 23 V 5.0710 7.3860 108.9400 58.1842 35.8486 174.8405 24 D 5.2943 8.0460 121.5651 52.0185 41.6010 175.8860 25 E 4.1285 8.9435 116.4175 59.6430 29.6638 179.2612 26 Q 4.0095 8.0010 119.1900 59.4618 28.9981 178.6299 27 F 4.0954 8.2961 120.9720 61.2819 39.5101 176.9081 28 Q 4.1024 8.5042 118.8626 59.3465 28.8556 178.0491 29 Q 4.0275 8.5967 119.5759 58.8142 28.6305 178.7366 30 L 3.9768 7.9177 120.1450 57.8853 41.7476 179.4072 31 Q 3.8803 7.8083 117.9522 59.2121 28.5446 179.1068 32 M 4.0489 7.8514 119.5557 58.0990 31.9117 178.1917 33 L 3.8901 8.1057 120.8013 58.3085 41.8936 178.6285 34 Q 4.0688 7.9245 118.2670 59.6748 29.1112 178.3885 35 E 4.1105 7.8777 117.3977 59.0755 29.5515 178.6057 36 D 4.6593 8.0186 118.0733 55.6324 41.4218 177.7685 37 G 4.0431 7.7759 105.0210 42.9905 0.0000 173.6710 38 G 4.1308 8.1333 107.1548 46.3295 0.0000 174.0628 39 T 4.4378 7.3246 114.6735 60.2843 70.1632 172.3026 40 P 4.2570 0.0000 0.0000 64.0753 32.0839 177.4290 41 G 4.0164 8.9639 109.9130 45.4708 0.0000 175.2557 42 F 4.1488 8.4380 121.6951 61.1277 39.4778 176.9300 43 V 3.3332 8.1777 117.6557 66.0191 31.2422 177.7838 44 A 3.9048 7.8850 119.8491 55.0511 18.1961 178.9642 45 E 3.7654 8.0853 117.7454 59.4085 29.6673 179.3385 46 V 3.3795 7.4816 118.3856 65.9546 31.5630 178.2357 47 V 3.4041 7.9464 118.4179 66.1239 31.1828 178.1952 48 T 3.9701 8.1199 115.8975 66.3577 68.2079 176.7621 49 L 3.9783 8.0913 121.1230 57.6695 41.6542 179.3177 50 F 4.2972 8.3616 121.8595 61.0877 39.5361 176.8558 51 C 4.1606 8.2095 116.2768 63.1012 27.9417 176.0187 52 D 4.3806 8.3237 120.4058 57.1801 40.3665 178.6493 53 D 4.2190 8.3625 119.5464 57.3810 40.9084 178.7266 54 A 3.5839 7.9451 121.5663 54.7366 18.1927 179.1203 55 D 4.0798 7.2894 116.0424 57.5959 41.3639 178.6358 56 R 3.8925 7.8625 119.0933 59.1837 30.0164 178.6165 57 I 3.5097 7.7495 120.0368 64.2525 37.0934 178.0346 58 I 3.6378 7.5476 120.6814 64.9002 36.8150 178.6041 59 S 4.0948 7.8506 115.0572 61.4325 62.6931 176.5888 60 E 3.7590 7.8595 121.3504 59.2972 29.0894 179.3357 61 L 3.9081 8.1556 119.1309 57.6712 41.4339 179.4740 62 A 3.9607 7.9620 119.5857 55.1586 18.2189 179.2682 63 A 4.0553 7.7516 119.1761 55.1084 18.4155 179.9073 64 L 3.9145 7.7745 117.3505 57.9203 41.6026 179.3799 65 L 4.2046 7.9085 116.0272 56.0473 41.5663 177.0774 66 D 4.8115 7.2086 116.7618 53.7956 41.6892 175.8778 67 Q 4.3292 7.6983 116.6864 54.9061 29.6959 174.2644 68 P 4.3598 0.0000 0.0000 65.2798 31.3892 176.9678 69 I 4.4292 7.4752 117.4441 59.1887 39.1853 175.2941 70 V 3.6378 8.2511 125.6443 62.2023 32.0953 175.6586 71 D 4.6510 8.0613 126.9103 52.6700 39.9314 176.3141 72 F 4.2069 8.4060 124.6602 59.9935 39.0345 176.7183 73 D 4.3813 8.1470 118.4487 57.2468 40.7520 178.4409 74 K 3.9305 8.2894 120.0624 59.2005 32.0650 179.0883 75 V 3.6090 7.6575 118.5512 66.0532 31.4482 177.1458 76 D 4.3197 8.4453 117.9607 57.7400 40.9574 178.5169 77 A 3.9342 8.0364 120.8161 55.3117 18.3332 179.2642 78 Y 4.1590 8.0353 115.4218 61.0225 37.7451 178.7652 79 V 3.3721 8.0301 119.6890 65.9819 31.5173 177.3837 80 H 4.0588 8.4274 118.3166 59.5844 29.6092 177.1543 81 Q 3.9371 8.0892 119.6502 58.9441 28.5193 178.6495 82 L 3.9607 8.0831 121.3699 57.6898 41.9892 178.8232 83 K 4.0294 8.3516 120.1795 59.5209 32.1849 179.0680 84 G 3.5223 8.2465 106.1189 47.6730 0.0000 175.4700 85 S 4.2071 8.2960 116.0673 61.3715 62.4277 176.5637 86 S 3.9918 8.4452 116.6438 61.3228 62.5533 176.2574 87 A 4.0442 8.4026 124.7256 54.5943 17.8327 179.7108 88 S 4.1961 7.8815 111.6900 60.6561 63.2094 175.5009 89 V 4.2365 7.2102 111.2541 60.4822 32.3885 175.7745 90 G 3.7856 7.8081 107.2068 46.9709 0.0000 174.0361 91 A 4.8077 7.5331 124.4594 49.5104 16.0508 177.8609 92 Q 3.4267 7.7750 124.5555 58.7159 29.5748 177.8605 93 K 3.8501 7.6365 118.8409 59.1474 32.1384 179.4620 94 V 3.8023 7.6227 118.3146 65.7450 31.3234 177.8397 95 K 3.9924 7.8188 118.5216 59.5166 32.2442 178.5517 96 F 4.7007 8.0453 118.0232 61.1921 38.8825 177.8953 97 T 4.7503 8.1048 116.6155 66.3912 68.1509 176.5229 98 C 4.4541 8.2724 118.7777 62.9225 27.7510 176.0787 99 M 4.1800 8.0818 120.4461 58.4040 31.6421 178.6982 100 Q 4.0572 8.1443 117.7895 58.8428 29.0712 178.2854 101 F 4.2448 8.7385 122.1296 61.5151 39.4236 176.9882 102 R 3.9762 8.5793 118.6071 59.8629 29.8497 178.4982 103 Q 4.1130 7.8910 117.3239 58.7153 28.7340 178.4816 104 L 4.1123 8.0528 120.0418 57.4697 41.6562 179.0280 105 C 4.3791 8.1782 118.5642 62.6491 31.3656 175.4935 106 Q 4.0188 7.9538 118.5207 58.9375 28.4316 177.7644 107 D 4.3816 7.8970 116.0013 53.7834 41.6979 175.7186 108 K 2.0000 7.4374 116.5483 58.1737 29.8823 176.7094 109 N 4.6842 7.6415 118.5824 51.4649 38.8147 173.3674 110 R 4.1215 8.5496 126.8698 59.5238 30.3735 177.1122 111 D 4.5112 8.3786 118.1048 57.7665 40.7626 179.3651 112 G 3.6007 8.9688 106.1208 47.9216 0.0000 175.5730 113 C 3.8731 8.1849 118.9856 62.3982 28.2073 176.1309 114 I 3.6038 8.0550 121.9192 64.4206 36.5685 178.2027 115 M 3.8859 8.0961 118.7715 58.5793 32.0585 178.0042 116 A 3.7941 7.8317 121.0823 55.0843 18.3570 179.3923 117 L 3.8476 7.5692 118.7317 58.1483 42.2304 179.0875 118 A 3.9164 7.8771 120.8486 54.9710 18.2018 179.7894 119 V 3.4940 7.9625 117.0450 66.0533 31.5459 178.3683 120 V 3.7503 7.9766 118.1789 66.0914 31.3790 178.0317 121 R 3.6892 8.0596 118.3691 59.4028 29.9146 178.1561 122 N 4.2769 7.9046 116.0777 56.5061 38.4424 177.3267 123 E 4.0340 8.3758 119.9876 59.0171 29.4892 179.2061 124 F 4.4329 8.3472 121.1892 61.4731 39.6448 177.0704 125 Y 3.9430 8.0100 116.4401 60.8183 37.6806 178.0484 126 D 4.2267 8.0616 119.1428 57.2799 41.3846 178.1201 127 L 3.6266 7.5738 120.7097 57.6691 41.9390 178.8080 128 R 3.9182 7.6952 118.6904 59.6321 30.0983 178.1179 129 N 4.2148 7.7878 115.8522 56.3497 38.5046 177.5661 130 K 3.9021 7.7756 119.2781 59.5469 32.0854 179.5042 131 F 4.6795 8.4168 118.3481 60.5225 38.7659 177.7898 132 Q 4.0305 8.4666 118.0395 59.2460 28.4738 178.9393 133 T 3.8178 7.8040 116.4664 66.8467 68.5495 176.1115 134 M 4.0359 8.5184 120.3481 59.0101 32.2386 178.3221 135 L 4.1187 8.2423 118.9338 57.6123 41.8247 179.4548 136 Q 3.9993 8.6958 118.4883 59.0115 28.6756 178.7358 137 L 4.0429 8.1695 120.0971 57.9419 41.6905 179.5443 138 E 4.0359 8.3625 118.5319 59.2433 29.1377 179.2150 139 Q 3.9793 7.8643 117.3145 59.3646 28.9605 178.7785 140 Q 4.1502 7.9182 117.3765 58.9941 28.7596 178.8307 141 I 3.8631 7.6145 120.1866 64.3044 37.2640 176.6806 142 Q 4.3109 7.8018 121.9258 56.5213 28.8626 176.8047 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 5 A 8.12 4.32 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 6 L 8.56 3.76 0.00 1.79 1.77 1.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.89 3.97 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.40 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 8 E 8.13 4.08 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 9 Q 8.34 4.00 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 10 L 7.99 3.96 0.00 1.81 1.86 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.15 4.33 0.00 3.03 2.90 0.00 0.00 6.99 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.99 4.05 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 13 L 8.12 3.87 0.00 1.94 1.88 0.99 0.54 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 14 L 8.17 4.03 0.00 2.03 2.04 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.50 4.27 0.00 3.99 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 16 S 8.38 4.13 0.00 4.02 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 0.00 17 M 8.18 3.90 0.00 1.67 1.93 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.31 0.00 18 F 8.18 4.26 0.00 3.22 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 19 A 7.98 4.05 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 20 S 7.95 4.37 0.00 4.06 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 21 G 8.35 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 22 L 7.59 3.99 0.00 1.50 1.42 0.78 1.27 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 23 V 7.39 5.07 1.77 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 -0.14 0.00 0.00 -0.14 0.00 0.00 24 D 8.05 5.29 0.00 2.87 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 25 E 8.94 4.13 0.00 2.19 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 2.41 2.46 0.00 26 Q 8.00 4.01 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 27 F 8.30 4.10 0.00 3.34 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.50 4.10 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 29 Q 8.60 4.03 0.00 2.26 2.14 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 2.39 2.54 0.00 30 L 7.92 3.98 0.00 1.55 1.53 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 7.81 3.88 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 32 M 7.85 4.05 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 33 L 8.11 3.89 0.00 1.68 1.90 0.83 0.85 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 34 Q 7.92 4.07 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 35 E 7.88 4.11 0.00 2.00 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 2.35 0.00 36 D 8.02 4.66 0.00 2.82 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 37 G 7.78 4.04 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 38 G 8.13 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 0.00 0.00 0.00 39 T 7.32 4.44 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 1.23 0.00 0.00 40 P 0.00 4.26 0.00 2.06 2.01 0.00 3.67 0.00 0.00 3.80 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 41 G 8.96 4.02 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 0.00 0.00 0.00 42 F 8.44 4.15 0.00 3.16 3.21 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 43 V 8.18 3.33 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 0.97 0.00 0.00 0.86 0.00 0.00 44 A 7.89 3.90 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 45 E 8.09 3.77 0.00 2.13 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 2.29 2.24 0.00 46 V 7.48 3.38 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 0.83 0.00 0.00 0.15 0.00 0.00 47 V 7.95 3.40 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 0.27 0.00 0.00 0.42 0.00 0.00 48 T 8.12 3.97 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 1.21 0.00 0.00 49 L 8.09 3.98 0.00 1.84 1.73 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.36 4.30 0.00 3.15 3.33 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 51 C 8.21 4.16 0.00 3.23 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 52 D 8.32 4.38 0.00 2.70 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 53 D 8.36 4.22 0.00 2.68 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 54 A 7.95 3.58 0.19 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 55 D 7.29 4.08 0.00 3.07 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 56 R 7.86 3.89 0.00 1.89 1.98 0.00 3.28 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 57 I 7.75 3.51 1.78 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.39 0.89 0.00 0.00 58 I 7.55 3.64 1.80 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 1.43 0.46 0.85 0.00 0.00 59 S 7.85 4.09 0.00 4.07 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 60 E 7.86 3.76 0.00 1.16 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 2.13 2.15 0.00 61 L 8.16 3.91 0.00 1.80 1.82 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 62 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 63 A 7.75 4.06 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 64 L 7.77 3.91 0.00 2.00 1.67 0.92 0.61 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 65 L 7.91 4.20 0.00 1.72 1.73 1.08 0.88 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 66 D 7.21 4.81 0.00 2.74 2.71 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 67 Q 7.70 4.33 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.63 0.00 0.00 0.00 0.00 0.00 2.62 2.44 0.00 68 P 0.00 4.36 0.00 2.03 2.13 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 69 I 7.48 4.43 1.87 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 1.32 0.62 0.95 0.00 0.00 70 V 8.25 3.64 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 -0.27 0.00 0.00 0.75 0.00 0.00 71 D 8.06 4.65 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 4.21 0.00 3.13 3.24 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 73 D 8.15 4.38 0.00 2.85 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 74 K 8.29 3.93 0.00 2.00 1.97 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.19 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.40 7.81 75 V 7.66 3.61 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 1.12 0.00 0.00 0.93 0.00 0.00 76 D 8.45 4.32 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 77 A 8.04 3.93 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 78 Y 8.04 4.16 0.00 3.03 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 79 V 8.03 3.37 2.02 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 0.94 0.00 0.00 -0.09 0.00 0.00 80 H 8.43 4.06 0.00 3.26 3.46 0.00 5.84 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 81 Q 8.09 3.94 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 82 L 8.08 3.96 0.00 1.83 1.78 0.83 0.33 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 83 K 8.35 4.03 0.00 1.92 1.96 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 84 G 8.25 3.52 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 0.00 85 S 8.30 4.21 0.00 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.45 3.99 0.00 4.16 4.39 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 87 A 8.40 4.04 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 88 S 7.88 4.20 0.00 4.05 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 0.00 89 V 7.21 4.24 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 0.60 0.00 0.00 0.31 0.00 0.00 90 G 7.81 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 91 A 7.53 4.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 7.78 3.43 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.86 0.00 0.00 0.00 0.00 0.00 1.25 1.66 0.00 93 K 7.64 3.85 0.00 1.77 1.96 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.57 7.81 94 V 7.62 3.80 2.30 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 1.17 0.00 0.00 1.12 0.00 0.00 95 K 7.82 3.99 0.00 1.85 1.84 0.00 1.92 0.00 0.00 1.85 0.00 0.00 3.22 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.53 7.81 96 F 8.05 4.70 0.00 3.28 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 97 T 8.10 4.75 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 1.31 0.00 0.00 98 C 8.27 4.45 0.00 3.32 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 99 M 8.08 4.18 0.00 2.07 2.33 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.64 0.00 100 Q 8.14 4.06 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 101 F 8.74 4.24 0.00 3.27 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 0.00 102 R 8.58 3.98 0.00 1.98 2.24 0.00 3.18 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 103 Q 7.89 4.11 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 104 L 8.05 4.11 0.00 1.95 1.75 1.00 0.72 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 0.00 105 C 8.18 4.38 0.00 3.39 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.95 4.02 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 107 D 7.90 4.38 0.00 2.74 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 0.00 108 K 7.44 2.00 0.00 1.58 1.08 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.73 1.23 7.81 109 N 7.64 4.68 0.00 2.86 2.79 0.00 0.00 6.88 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 0.00 110 R 8.55 4.12 0.00 2.16 2.03 0.00 3.29 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.80 0.00 111 D 8.38 4.51 0.00 2.89 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 0.00 112 G 8.97 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 0.00 113 C 8.18 3.87 0.00 3.28 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 0.00 114 I 8.05 3.60 1.99 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 1.39 0.74 0.88 0.00 0.00 115 M 8.10 3.89 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 116 A 7.83 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.57 3.85 0.00 1.70 1.73 1.05 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 A 7.88 3.92 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 0.00 119 V 7.96 3.49 2.18 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 1.09 0.00 0.00 0.90 0.00 0.00 120 V 7.98 3.75 2.37 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 1.07 0.00 0.00 1.10 0.00 0.00 121 R 8.06 3.69 0.00 1.82 1.89 0.00 3.02 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.04 0.00 122 N 7.90 4.28 0.00 2.82 2.84 0.00 0.00 7.08 7.47 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 0.00 123 E 8.38 4.03 0.00 2.19 2.02 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 2.33 2.42 0.00 124 F 8.35 4.43 0.00 3.06 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 0.00 125 Y 8.01 3.94 0.00 2.99 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 0.00 126 D 8.06 4.23 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 3.63 0.00 1.77 1.54 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.70 3.92 0.00 1.30 1.60 0.00 3.22 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 129 N 7.79 4.21 0.00 2.87 2.79 0.00 0.00 7.12 6.38 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 0.00 130 K 7.78 3.90 0.00 1.66 1.64 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.45 7.81 131 F 8.42 4.68 0.00 3.18 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 0.00 132 Q 8.47 4.03 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 133 T 7.80 3.82 4.42 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 1.21 0.00 0.00 134 M 8.52 4.04 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 135 L 8.24 4.12 0.00 1.75 1.71 0.91 0.77 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 0.00 136 Q 8.70 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 137 L 8.17 4.04 0.00 1.86 1.75 0.97 1.00 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 0.00 138 E 8.36 4.04 0.00 2.06 2.02 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 2.37 2.50 0.00 139 Q 7.86 3.98 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 140 Q 7.92 4.15 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 141 I 7.61 3.86 2.04 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 1.54 0.63 0.93 0.00 0.00 142 Q 7.80 4.31 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.55 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00