NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1776 8.1727 122.0505 56.2792 34.1348 174.0060 2 V 4.5863 8.1435 126.8445 60.6925 32.4611 174.5056 3 F 4.4110 9.9421 129.0676 57.5395 40.2030 174.9677 4 E 4.2368 9.0459 121.4450 55.6297 30.9737 176.8958 5 R 3.3296 8.9638 121.3004 60.7289 29.9501 179.4823 6 C 4.3162 8.0134 115.2190 59.6751 37.6494 175.6918 7 E 3.9104 8.1103 120.6251 59.2873 29.2972 178.4970 8 L 3.5456 7.9929 120.0153 57.8675 42.0411 178.5517 9 A 3.9425 7.8620 120.6821 55.5053 18.3255 179.9362 10 R 3.9167 8.1037 116.3524 59.4806 30.2000 179.4889 11 T 3.8671 7.7939 115.7056 66.6300 68.4584 176.7703 12 L 3.8628 8.1949 121.3479 57.4718 41.5949 179.5044 13 K 3.8974 7.9964 119.6847 59.5533 31.9538 178.9159 14 R 3.9610 7.8683 117.7622 58.9985 29.9933 177.4627 15 L 4.3780 7.4335 116.2980 53.9489 41.6913 176.7495 16 G 3.8691 7.7976 106.6307 47.0956 0.0000 175.3224 17 M 3.8715 7.8018 121.1013 56.3087 32.4477 176.0037 18 D 4.4753 8.0001 118.3951 55.6626 41.3925 176.0229 19 G 3.9517 9.3914 115.6915 45.3503 0.0000 171.6857 20 Y 4.2578 8.2411 122.0968 58.7790 38.9036 176.3376 21 R 3.6734 9.0426 127.0993 57.2995 27.7521 177.3005 22 G 3.8245 8.2698 103.5210 45.5741 0.0000 173.9104 23 I 4.1451 7.5464 121.8623 58.9310 38.3606 175.8555 24 S 4.6370 8.3307 120.2627 57.7372 63.9623 174.9141 25 L 4.2043 8.9109 123.3735 58.6292 41.7150 179.3574 26 A 4.1545 8.1856 120.0502 55.3270 18.2887 179.2383 27 N 4.4329 8.1824 114.6967 56.2686 38.6404 177.7373 28 W 4.3169 8.0940 119.9786 59.8939 29.1621 178.4334 29 M 4.1936 8.4968 118.9695 58.5304 31.5833 177.8592 30 C 3.0858 8.1074 118.7436 59.1111 44.8787 175.4109 31 L 3.9931 8.1503 121.6183 58.2837 41.7714 178.8720 32 A 4.0078 8.2778 120.7146 54.7770 18.3576 179.4553 33 K 2.7710 8.0788 118.2120 59.2739 32.0337 178.9933 34 W 4.2745 7.5319 116.7054 58.8382 29.1497 178.3750 35 E 4.3394 8.2293 118.6724 58.6098 29.1773 177.6854 36 S 4.5053 7.9143 109.3598 56.5845 64.6972 174.5387 37 G 3.2311 8.0026 108.5889 46.8983 0.0000 173.4943 38 Y 3.6425 7.6510 113.5045 58.5033 35.2231 168.4590 39 N 5.2620 7.5791 119.4644 52.0655 39.7432 175.9493 40 T 3.9964 9.0871 117.6499 63.9038 69.1845 175.9220 41 R 4.4936 7.9880 116.6794 55.5191 30.0373 176.0890 42 A 4.2851 7.7053 122.4197 52.9921 19.1533 177.1720 43 T 5.0961 8.4090 111.5489 60.2011 72.6029 173.4339 44 N 4.9098 8.7244 120.4414 52.2423 42.9318 172.8825 45 Y 4.6138 8.7769 125.7621 57.2075 40.7753 174.0741 46 N 4.7026 8.4727 125.0299 51.1027 37.1423 175.1515 47 A 3.6428 8.2438 127.1813 54.9449 18.7930 180.2805 48 G 3.8730 8.0394 103.3165 48.1497 0.0000 173.6379 49 D 4.6742 6.9852 112.4888 52.0965 40.3838 175.8555 50 R 4.0191 8.2009 116.2945 56.9850 28.1989 175.8276 51 S 4.9733 7.6560 112.2286 57.1399 66.2904 172.9301 52 T 5.0924 8.7234 116.1533 61.9909 72.7964 172.6987 53 D 5.4919 9.0607 125.5347 53.2775 43.0475 175.0688 54 Y 5.1355 9.3816 121.2046 57.4805 41.6780 176.9861 55 G 4.3879 9.1086 111.0997 45.4907 0.0000 173.5726 56 I 3.7572 8.1836 116.8390 62.7850 37.7386 176.6766 57 F 4.7062 8.0385 115.3232 56.3261 39.8214 175.3766 58 Q 3.6292 8.1849 119.0503 57.0670 26.4835 174.4127 59 G 4.0345 8.6762 106.0216 46.3622 0.0000 172.3770 60 N 5.6620 9.3994 124.1620 52.9921 40.0646 175.8000 61 S 4.7745 9.0421 120.6493 60.3078 63.2405 175.3418 62 R 3.7762 8.9741 122.4362 58.3780 30.4382 177.5873 63 Y 4.1328 7.5942 114.9356 58.0399 40.5364 177.2694 64 W 4.7131 8.4403 119.2835 57.8067 30.4270 173.6511 65 C 5.6170 7.9616 110.5935 53.4334 45.8316 171.7368 66 N 5.1172 8.9657 119.5124 52.0311 39.5694 174.7342 67 D 4.7853 8.6837 123.3072 52.3187 40.6806 177.1383 68 G 4.0374 8.3840 108.0879 45.6098 0.0000 174.4652 69 K 4.4229 7.9169 116.3213 56.6721 33.0906 175.8498 70 T 4.4375 7.7558 117.0263 61.4454 69.2295 172.9080 71 P 4.2755 0.0000 0.0000 63.7275 31.9298 176.0780 72 G 3.9434 8.5156 107.8091 46.3637 0.0000 172.8988 73 A 4.5182 7.8348 119.2264 50.8487 20.0103 178.2824 74 V 4.2387 8.5565 114.7117 59.3859 34.7554 175.6982 75 N 4.9550 8.0408 118.6027 51.6750 37.6214 174.4315 76 A 3.9336 8.7509 124.8423 55.0212 19.1050 178.5648 77 C 4.4899 8.4841 111.0959 57.4038 41.0495 173.0347 78 H 4.1277 7.9882 116.2383 56.7440 26.3078 174.3675 79 L 4.8500 8.3412 117.5000 52.8489 46.3230 176.8019 80 S 4.6855 8.3464 115.4681 58.0140 63.3457 176.0201 81 C 4.1628 8.6395 123.6569 59.5605 39.4743 176.3602 82 S 3.8853 7.7345 114.8053 61.2349 61.6387 175.9613 83 A 4.1145 7.8179 122.6069 54.4297 18.0632 177.9591 84 L 4.4319 7.8122 116.1474 55.1468 41.8036 177.6786 85 L 5.0871 7.5632 116.9292 53.7181 42.3697 176.7557 86 Q 4.3436 7.7933 117.8413 55.5077 29.4317 175.9537 87 D 4.4319 8.5016 119.3359 56.7391 41.2042 176.5984 88 N 4.6597 8.0467 118.1975 52.9138 39.3941 174.6066 89 I 4.2972 8.4213 118.8643 61.0400 38.0418 177.0482 90 A 3.9443 8.6552 125.4279 56.0152 18.1877 180.2432 91 D 4.2900 8.0733 116.5013 57.4081 41.0192 178.6644 92 A 4.1148 7.9944 120.8901 55.1708 18.4470 179.7447 93 V 3.3900 8.2925 117.0426 65.9561 31.6261 178.1588 94 A 3.8546 8.0460 120.6274 55.2218 18.1919 178.8320 95 C 4.2571 8.3706 116.8577 59.6182 38.1977 175.6410 96 A 3.9475 7.9993 122.4994 54.9813 17.5972 179.7753 97 K 3.8536 7.6156 116.3554 59.3859 32.2776 179.2199 98 R 4.0764 7.6825 118.5970 59.3647 30.1639 178.5653 99 V 2.6341 7.4312 117.9465 65.8609 31.1652 177.9140 100 V 3.9309 7.3981 108.4563 62.6461 31.6365 177.8173 101 R 4.1961 7.7497 117.5797 56.9155 30.6356 176.4200 102 D 4.7345 7.3922 119.2940 52.6169 41.8014 175.4255 103 P 4.2666 0.0000 0.0000 66.1815 31.2856 177.9502 104 Q 4.0139 8.1433 117.4167 56.4987 29.9808 177.1949 105 G 3.6327 7.8584 107.0714 46.0778 0.0000 176.1941 106 I 3.5405 7.7890 120.2277 63.4873 37.9425 177.8609 107 R 4.2664 7.3194 117.3562 57.7660 29.9893 177.4694 108 A 3.8946 7.7416 121.1487 54.1030 18.6358 177.5552 109 W 4.7012 8.0264 116.5867 55.3606 29.8009 177.4832 110 V 3.7451 8.6981 123.8595 65.9332 30.9111 177.5738 111 A 4.0509 8.3019 120.2723 54.8007 18.1494 179.1440 112 W 4.0393 8.4509 126.9227 60.6875 30.5584 178.4087 113 R 3.6317 8.1425 116.3704 59.2275 29.6571 178.4179 114 N 4.3304 7.8699 114.9324 55.9009 38.7377 176.9707 115 R 4.0430 7.8171 116.2181 55.9591 31.2635 176.1005 116 C 4.5462 7.7268 115.5247 57.9267 42.4937 174.3415 117 Q 3.2408 6.4691 118.5168 57.5244 28.5704 175.6352 118 N 4.1833 8.7193 120.0313 54.1362 36.1828 173.6297 119 R 4.4964 7.3588 115.7677 54.0331 33.1176 175.2436 120 D 4.5842 8.4652 118.6406 54.0486 40.5729 175.8533 121 V 4.6151 8.2308 119.2257 61.3425 32.5369 178.1793 122 R 4.0444 8.1131 122.3321 59.4684 29.6815 178.5409 123 Q 3.9771 8.2166 116.8430 59.7919 27.9384 178.6147 124 Y 4.1588 7.9111 117.5266 59.8835 38.1716 177.0473 125 V 4.4231 7.7146 110.7044 60.6847 32.9455 175.3838 126 Q 4.1592 7.5890 120.2137 57.1791 28.7818 177.0081 127 G 3.9392 8.8644 109.9578 46.1568 0.0000 174.6634 128 C 4.4119 8.0300 115.7967 56.8688 40.5644 174.0403 129 G 3.8551 8.1525 107.2359 46.7332 0.0000 174.1385 130 V 4.0059 7.8743 118.0726 61.0820 32.0810 175.8311 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 K 8.17 4.18 0.00 2.00 1.67 0.00 1.29 0.00 0.00 0.99 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 1.13 7.81 2 V 8.14 4.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 3 F 9.94 4.41 0.00 2.88 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 4 E 9.05 4.24 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 5 R 8.96 3.33 0.00 1.91 1.90 0.00 3.41 0.00 0.00 3.44 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 6 C 8.01 4.32 0.00 3.00 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 7 E 8.11 3.91 0.00 2.06 2.25 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 2.61 2.43 0.00 8 L 7.99 3.55 0.00 1.38 1.40 -0.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.94 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 10 R 8.10 3.92 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 11 T 7.79 3.87 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 L 8.19 3.86 0.00 1.56 1.57 0.94 0.43 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 13 K 8.00 3.90 0.00 1.94 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 14 R 7.87 3.96 0.00 1.99 2.04 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.43 4.38 0.00 1.66 1.53 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.80 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 0.00 0.00 0.00 17 M 7.80 3.87 0.00 1.19 1.90 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 18 D 8.00 4.48 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 19 G 9.39 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 20 Y 8.24 4.26 0.00 3.30 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 21 R 9.04 3.67 0.00 1.88 1.83 0.00 3.19 0.00 0.00 2.93 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.31 0.00 22 G 8.27 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.55 4.15 1.80 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.60 -0.19 0.00 0.00 24 S 8.33 4.64 0.00 4.07 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 25 L 8.91 4.20 0.00 2.12 1.81 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.19 4.15 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 27 N 8.18 4.43 0.00 2.80 2.71 0.00 0.00 6.94 7.90 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 28 W 8.09 4.32 0.00 3.56 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 29 M 8.50 4.19 0.00 2.20 2.38 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.90 0.00 30 C 8.11 3.09 0.00 2.41 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 31 L 8.15 3.99 0.00 1.88 1.93 0.58 -0.34 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 32 A 8.28 4.01 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 33 K 8.08 2.77 0.00 1.50 1.75 0.00 0.65 0.00 0.00 1.14 0.00 0.00 2.60 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.11 0.21 7.81 34 W 7.53 4.27 0.00 3.38 3.29 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 35 E 8.23 4.34 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 36 S 7.91 4.51 0.00 4.07 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 37 G 8.00 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 0.00 0.00 0.00 38 Y 7.65 3.64 0.00 3.25 2.97 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 39 N 7.58 5.26 0.00 2.80 2.84 0.00 0.00 7.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.09 4.00 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 1.49 0.00 0.00 41 R 7.99 4.49 0.00 2.01 2.10 0.00 3.09 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 42 A 7.71 4.29 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 43 T 8.41 5.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 44 N 8.72 4.91 0.00 2.92 2.72 0.00 0.00 6.71 7.04 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 45 Y 8.78 4.61 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.47 4.70 0.00 2.64 2.59 0.00 0.00 6.56 7.12 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 47 A 8.24 3.64 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 48 G 8.04 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 0.00 0.00 0.00 49 D 6.99 4.67 0.00 2.68 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 50 R 8.20 4.02 0.00 2.04 2.20 0.00 3.13 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.53 0.00 51 S 7.66 4.97 0.00 3.87 3.90 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 52 T 8.72 5.09 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 0.65 0.00 0.00 53 D 9.06 5.49 0.00 2.69 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 54 Y 9.38 5.14 0.00 2.87 2.86 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 55 G 9.11 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 0.00 0.00 0.00 56 I 8.18 3.76 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.74 0.37 0.00 0.00 57 F 8.04 4.71 0.00 3.18 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.18 3.63 0.00 2.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.76 0.00 59 G 8.68 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 0.00 0.00 0.00 60 N 9.40 5.66 0.00 3.16 3.13 0.00 0.00 6.97 7.63 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 61 S 9.04 4.77 0.00 4.07 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 0.00 62 R 8.97 3.78 0.00 1.52 1.26 0.00 2.56 0.00 0.00 2.89 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 63 Y 7.59 4.13 0.00 1.66 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 0.00 0.00 0.00 64 W 8.44 4.71 0.00 3.64 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.96 5.62 0.00 3.19 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 66 N 8.97 5.12 0.00 2.78 2.70 0.00 0.00 7.12 8.50 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 67 D 8.68 4.79 0.00 2.83 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 68 G 8.38 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 69 K 7.92 4.42 0.00 1.85 1.91 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 70 T 7.76 4.44 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 1.16 0.00 0.00 71 P 0.00 4.28 0.00 2.01 1.97 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 72 G 8.52 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 73 A 7.83 4.52 1.25 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 0.00 0.00 74 V 8.56 4.24 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 0.61 0.00 0.00 0.85 0.00 0.00 75 N 8.04 4.95 0.00 2.78 2.65 0.00 0.00 6.76 7.73 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 76 A 8.75 3.93 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 77 C 8.48 4.49 0.00 3.27 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 78 H 7.99 4.13 0.00 3.33 3.37 0.00 5.62 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.34 4.85 0.00 1.68 1.50 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.35 4.69 0.00 3.83 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 81 C 8.64 4.16 0.00 2.22 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 82 S 7.73 3.89 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.82 4.11 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 84 L 7.81 4.43 0.00 1.93 1.82 1.15 0.36 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 85 L 7.56 5.09 0.00 1.81 1.73 1.10 0.98 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 86 Q 7.79 4.34 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.12 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 87 D 8.50 4.43 0.00 2.65 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 88 N 8.05 4.66 0.00 2.70 2.75 0.00 0.00 6.95 7.94 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 89 I 8.42 4.30 1.83 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.03 0.98 0.00 0.00 90 A 8.66 3.94 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 91 D 8.07 4.29 0.00 2.75 2.75 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 0.00 0.00 0.00 0.00 92 A 7.99 4.11 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 93 V 8.29 3.39 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 0.68 0.00 0.00 0.90 0.00 0.00 94 A 8.05 3.85 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 95 C 8.37 4.26 0.00 3.16 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 96 A 8.00 3.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.62 3.85 0.00 1.66 1.51 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.24 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.30 0.94 7.81 98 R 7.68 4.08 0.00 1.97 2.14 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 99 V 7.43 2.63 1.79 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 -0.29 0.00 0.00 -0.71 0.00 0.00 100 V 7.40 3.93 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 1.06 0.00 0.00 1.45 0.00 0.00 101 R 7.75 4.20 0.00 2.07 2.04 0.00 3.24 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 102 D 7.39 4.73 0.00 3.03 2.60 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 0.00 103 P 0.00 4.27 0.00 2.15 2.19 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 104 Q 8.14 4.01 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.86 3.63 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 0.00 0.00 0.00 106 I 7.79 3.54 1.01 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.39 0.00 0.00 107 R 7.32 4.27 0.00 2.04 2.05 0.00 3.25 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.62 0.00 108 A 7.74 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.03 4.70 0.00 3.54 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.70 3.75 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.30 4.05 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 0.00 112 W 8.45 4.04 0.00 3.48 3.51 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 0.00 0.00 0.00 0.00 113 R 8.14 3.63 0.00 2.08 1.96 0.00 3.55 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.03 0.00 114 N 7.87 4.33 0.00 2.67 2.70 0.00 0.00 6.99 7.71 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 0.00 115 R 7.82 4.04 0.00 0.88 0.75 0.00 2.83 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 0.00 116 C 7.73 4.55 0.00 1.74 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 0.00 117 Q 6.47 3.24 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.82 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 118 N 8.72 4.18 0.00 2.80 2.82 0.00 0.00 6.87 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 0.00 119 R 7.36 4.50 0.00 1.83 1.82 0.00 3.22 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 120 D 8.47 4.58 0.00 2.65 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 0.00 121 V 8.23 4.62 2.38 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 0.83 0.00 0.00 1.06 0.00 0.00 122 R 8.11 4.04 0.00 1.84 2.03 0.00 3.17 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 123 Q 8.22 3.98 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.84 0.00 124 Y 7.91 4.16 0.00 3.24 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 0.00 125 V 7.71 4.42 2.14 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 1.01 0.00 0.00 1.06 0.00 0.00 126 Q 7.59 4.16 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.88 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 127 G 8.86 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 0.00 128 C 8.03 4.41 0.00 3.06 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 0.00 129 G 8.15 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 0.00 0.00 0.00 130 V 7.87 4.01 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 0.81 0.00 0.00 0.96 0.00 0.00