NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1917 8.1727 122.0546 56.3061 34.1596 174.1028 2 V 4.6160 8.1656 126.7289 60.7252 32.2675 174.5876 3 F 4.4022 9.8964 128.7131 57.6069 40.2231 174.6372 4 E 4.3113 9.0063 120.5107 55.2745 31.1738 176.7530 5 R 3.2199 8.8944 121.3435 60.8333 30.0104 179.4210 6 C 4.3147 8.0049 115.4310 59.6489 38.4704 175.7935 7 E 3.8885 8.0538 120.9152 59.0834 29.3052 178.4397 8 L 3.7202 8.1110 120.3251 57.8760 42.0955 178.5303 9 A 3.9609 7.8863 120.7929 55.5582 18.2347 179.9407 10 R 3.9379 8.1130 116.3094 59.4601 30.1714 179.4274 11 T 3.8572 7.9274 115.7184 66.6403 68.5622 176.7315 12 L 3.8713 8.2497 121.3461 57.4388 41.5887 179.4970 13 K 3.9030 8.0278 119.6900 59.5413 31.9628 178.7274 14 R 3.9314 7.9508 117.9049 59.2378 29.9282 177.3951 15 L 4.4220 7.3782 115.8211 53.8891 41.7194 176.7453 16 G 3.9006 7.8563 106.4710 47.1405 0.0000 175.2345 17 M 3.9588 7.7027 120.2181 55.8526 32.5550 175.9046 18 D 4.6262 8.0577 118.6349 55.2284 41.3238 175.8135 19 G 3.9489 9.6552 115.6686 45.6949 0.0000 171.6240 20 Y 4.1538 8.0720 122.1272 58.3468 38.9870 175.8661 21 R 3.5808 8.8427 126.6833 57.2923 28.5759 176.3903 22 G 3.8300 8.0424 101.3071 45.3604 0.0000 173.8573 23 I 4.1539 7.7157 121.9528 59.0625 38.3246 176.0001 24 S 4.6031 8.3178 120.6092 58.0380 65.0106 174.9635 25 L 4.2438 8.6344 124.1421 58.4002 41.7606 179.1747 26 A 4.2371 8.1680 120.3193 55.4132 18.3678 179.2365 27 N 4.4409 8.1566 114.6183 56.2766 38.5887 177.7812 28 W 4.2189 7.9547 120.2370 59.8851 29.0956 178.5867 29 M 4.1870 8.7831 119.2114 58.5346 31.4449 177.9018 30 C 3.0761 8.2247 119.0310 59.1396 42.5967 175.6191 31 L 4.0595 8.0101 121.1549 58.9434 40.0294 179.1606 32 A 4.0189 8.1914 121.8914 54.4272 18.2096 179.2907 33 K 2.6800 7.8922 118.1556 59.3445 32.0276 178.8686 34 W 4.3107 7.6069 116.4586 58.5198 29.1993 177.9246 35 E 4.4911 8.1208 118.5578 58.1019 29.5390 177.2063 36 S 4.5190 8.0386 109.2647 56.5635 65.0475 174.3822 37 G 3.3214 8.3699 109.1554 46.9932 0.0000 173.7015 38 Y 3.6626 7.5679 113.1660 58.3862 35.6867 168.4394 39 N 5.3009 7.7051 119.3672 52.1651 39.9198 175.9062 40 T 4.2151 8.8940 116.3846 63.6172 69.1475 175.7632 41 R 4.4787 8.4132 120.2757 55.8239 30.9491 176.2440 42 A 4.2067 7.7936 121.6941 52.7055 19.3620 176.9852 43 T 4.9995 8.4218 118.1756 61.9286 72.8178 173.3128 44 N 4.9023 9.0955 122.9519 51.6485 42.2280 172.8820 45 Y 4.7878 8.7415 125.7331 56.9738 40.3345 174.4055 46 N 4.5528 8.6725 125.7515 51.5475 39.4598 175.0014 47 A 3.5686 8.1979 130.0011 54.4785 19.0471 179.1945 48 G 3.6217 8.1588 105.1657 48.4741 0.0000 174.5316 49 D 4.7319 8.0359 116.3978 51.6468 39.7003 175.9031 50 R 3.8724 7.6230 116.9346 57.8886 28.4714 175.8192 51 S 5.0267 7.8333 109.2980 56.8867 67.0621 172.9776 52 T 5.1274 8.9543 116.5869 61.9889 72.1210 172.6146 53 D 5.4894 9.1056 124.9851 53.1806 43.1348 175.1604 54 Y 4.8147 9.3322 120.8391 57.2914 41.7397 177.5798 55 G 4.5258 8.8373 111.6263 44.3926 0.0000 173.9363 56 I 3.6929 8.2207 116.9203 62.6199 37.7055 176.6530 57 F 4.8891 8.0312 115.6394 56.4820 40.2221 175.0057 58 Q 3.5795 8.1790 119.5135 57.1064 26.6709 173.8421 59 I 4.4088 8.2707 118.9110 61.0205 39.4821 176.6852 60 N 5.6090 9.3840 124.3379 52.5738 39.8572 175.7841 61 S 4.8133 9.1388 120.5275 60.0932 63.3927 175.2757 62 R 3.8579 8.9163 122.4514 58.4011 30.4487 177.5620 63 Y 4.2748 7.8416 115.0864 57.8211 40.2949 176.8259 64 W 4.9148 8.5736 118.8947 57.4490 31.7500 173.9069 65 C 5.5139 8.3131 112.3072 53.4818 46.4404 172.2310 66 N 5.2422 8.9067 118.9655 51.7094 40.5671 174.5905 67 D 4.9207 8.6312 123.7695 52.3867 40.0610 177.0278 68 G 3.9642 8.5472 106.6678 46.4536 0.0000 174.6324 69 K 4.5530 8.3973 116.8431 56.3450 33.0394 175.7104 70 T 4.5083 7.6863 116.8204 61.2558 69.8502 172.0789 71 P 4.2753 0.0000 0.0000 63.9242 31.7136 176.6861 72 G 3.7649 8.9282 110.0696 45.8426 0.0000 173.3891 73 A 4.6904 7.3508 120.9890 51.6989 18.8410 178.3858 74 V 3.9642 8.0267 119.6975 61.9808 33.8940 175.1505 75 N 4.2165 8.0346 116.3896 54.4267 36.7160 175.1898 76 A 4.0380 8.1767 121.2951 54.9223 18.9435 178.5512 77 C 4.5575 8.5312 112.1397 57.2712 41.2113 173.0280 78 H 4.0518 7.9566 115.9293 56.4891 25.9978 173.6178 79 L 4.7939 8.0502 118.0895 53.0853 46.5759 176.2042 80 S 4.7468 8.3183 114.5348 57.7753 63.3288 175.8751 81 C 4.0482 8.7414 124.8191 59.9061 40.7702 176.6659 82 S 3.8385 7.7330 115.7009 61.2375 62.1567 176.3870 83 A 4.0801 7.8626 123.4758 54.2792 18.2291 178.4482 84 L 4.4683 8.0711 116.6764 54.9777 41.6973 177.5691 85 L 5.3336 7.4374 117.2999 53.7579 42.2465 176.5837 86 Q 4.3805 7.8083 118.0991 55.3815 29.5262 175.8350 87 D 4.4708 8.4647 118.7728 56.5326 41.2406 176.6354 88 N 4.6716 8.0637 118.2228 52.9355 39.4984 174.6659 89 I 4.3015 8.3746 118.5531 60.9812 37.9850 177.0462 90 A 3.9385 7.9217 124.6321 55.8607 18.1046 180.0395 91 D 4.2393 8.0432 116.4059 57.5745 40.9923 178.5695 92 A 4.0909 8.0702 120.7447 55.2887 18.3649 179.7685 93 V 3.3139 8.2332 116.7925 66.0616 31.4608 178.2147 94 A 3.8737 8.1847 120.8094 55.1477 18.0752 178.8002 95 C 4.2004 8.4384 117.0385 59.5898 38.3096 175.6204 96 A 3.8388 8.1120 122.6173 54.9516 17.5695 179.8024 97 K 3.8784 7.4613 116.4188 59.3774 32.4282 179.2757 98 R 4.0448 7.5525 119.1265 59.2480 29.9012 178.6203 99 V 2.1269 7.4267 118.1309 65.6679 31.4053 178.1691 100 V 3.8679 7.7088 110.3520 63.0851 31.1494 177.5946 101 R 4.3976 7.4758 116.4653 55.9072 30.3586 176.1683 102 E 4.4985 7.3743 119.7594 54.5730 30.8023 175.6663 103 P 4.2551 0.0000 0.0000 65.8001 31.5701 177.9721 104 Q 4.1591 8.1510 114.4090 56.0748 30.3545 177.0776 105 G 3.8320 7.6711 108.8205 47.4798 0.0000 176.4686 106 I 3.8681 7.8905 123.8478 62.5530 37.7231 177.1376 107 R 4.3055 7.6265 117.7812 58.2987 29.9372 177.5360 108 A 3.8411 7.5735 120.7021 53.5971 18.5853 177.4271 109 W 4.6545 7.8444 116.1936 55.0114 29.2042 177.1696 110 V 3.8105 8.4507 118.3086 64.0737 31.0704 178.1835 111 A 4.2016 8.0923 119.7077 54.2689 18.0914 179.5784 112 W 3.9367 8.4906 127.5488 60.6780 30.6528 178.3963 113 R 3.6392 8.1550 116.1379 59.4372 29.6598 178.4127 114 N 4.4066 8.3938 115.4329 55.2640 38.6648 176.1496 115 R 4.2255 7.5167 115.4437 55.7311 31.6234 175.3755 116 C 4.5313 8.1907 114.7920 57.9191 42.5382 174.4306 117 Q 3.4852 6.4712 119.4428 57.0738 28.7078 175.3741 118 N 4.2241 8.7338 122.0788 54.4199 35.7454 173.7432 119 R 4.5740 7.3747 113.9697 54.3706 34.5085 174.5480 120 D 4.6080 8.5655 118.7554 54.0224 41.1633 176.0339 121 V 4.7142 8.2841 118.8736 61.3301 32.1410 177.9268 122 R 4.2012 7.5974 120.1953 58.5182 30.0687 178.8398 123 Q 4.0374 8.0190 115.9517 58.7825 28.9144 177.8941 124 Y 4.2536 7.9073 115.9673 60.1150 38.1031 176.8788 125 V 4.4029 7.6258 110.5260 60.6170 32.8914 174.9271 126 Q 4.1522 7.5626 121.5462 57.2270 29.1069 176.3833 127 G 3.9838 9.0289 113.6207 45.7017 0.0000 174.3071 128 C 4.4312 7.8671 115.6664 56.7180 40.5900 173.7697 129 G 3.8603 8.0867 107.2737 46.9335 0.0000 174.2194 130 V 4.0115 7.8979 117.9032 61.0930 32.1261 175.9051 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 4.19 0.00 1.88 1.75 0.00 1.26 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.13 7.81 2 V 8.17 4.62 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 0.92 0.00 0.00 0.96 0.00 0.00 3 F 9.90 4.40 0.00 2.84 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 9.01 4.31 0.00 1.89 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 2.24 2.37 0.00 5 R 8.89 3.22 0.00 1.90 1.89 0.00 3.36 0.00 0.00 3.44 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 6 C 8.00 4.31 0.00 2.99 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 8.05 3.89 0.00 2.03 2.21 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 2.46 2.36 0.00 8 L 8.11 3.72 0.00 1.41 1.41 -0.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.89 3.96 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 10 R 8.11 3.94 0.00 1.88 1.98 0.00 3.13 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 11 T 7.93 3.86 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 1.21 0.00 0.00 12 L 8.25 3.87 0.00 1.71 1.56 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.03 3.90 0.00 1.94 1.96 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 R 7.95 3.93 0.00 2.10 1.97 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 15 L 7.38 4.42 0.00 1.65 1.53 0.83 0.96 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 16 G 7.86 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 0.00 0.00 0.00 17 M 7.70 3.96 0.00 1.27 1.94 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 18 D 8.06 4.63 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 19 G 9.66 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 8.07 4.15 0.00 3.33 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 8.84 3.58 0.00 1.56 1.89 0.00 3.43 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 22 G 8.04 3.83 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 0.00 0.00 0.00 23 I 7.72 4.15 1.64 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.64 -0.04 0.00 0.00 24 S 8.32 4.60 0.00 4.11 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 25 L 8.63 4.24 0.00 2.08 1.81 1.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.24 1.53 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 0.00 0.00 27 N 8.16 4.44 0.00 2.81 2.72 0.00 0.00 7.02 8.89 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 28 W 7.95 4.22 0.00 3.53 3.09 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 29 M 8.78 4.19 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.95 0.00 30 C 8.22 3.08 0.00 2.43 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 31 L 8.01 4.06 0.00 2.13 2.20 0.20 -0.07 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 32 A 8.19 4.02 1.45 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 33 K 7.89 2.68 0.00 1.63 1.69 0.00 0.62 0.00 0.00 1.07 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.03 0.21 7.81 34 W 7.61 4.31 0.00 3.38 3.30 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 35 E 8.12 4.49 0.00 2.08 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 0.00 2.69 2.60 0.00 36 S 8.04 4.52 0.00 4.08 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 0.00 37 G 8.37 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.57 3.66 0.00 3.27 3.01 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 0.00 0.00 0.00 39 N 7.71 5.30 0.00 2.84 2.85 0.00 0.00 6.99 7.37 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 40 T 8.89 4.22 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 41 R 8.41 4.48 0.00 1.95 2.04 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 42 A 7.79 4.21 1.35 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 43 T 8.42 5.00 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 1.05 0.00 0.00 44 N 9.10 4.90 0.00 2.86 2.71 0.00 0.00 6.29 7.88 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 45 Y 8.74 4.79 0.00 2.86 2.87 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 46 N 8.67 4.55 0.00 2.61 2.75 0.00 0.00 6.85 8.30 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 47 A 8.20 3.57 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 48 G 8.16 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 49 D 8.04 4.73 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 50 R 7.62 3.87 0.00 2.00 2.15 0.00 3.14 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 51 S 7.83 5.03 0.00 3.89 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 52 T 8.95 5.13 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 0.65 0.00 0.00 53 D 9.11 5.49 0.00 2.66 2.79 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 54 Y 9.33 4.81 0.00 2.88 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 8.84 4.53 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 0.00 0.00 0.00 56 I 8.22 3.69 1.68 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.56 0.19 0.00 0.00 57 F 8.03 4.89 0.00 3.21 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 58 Q 8.18 3.58 0.00 2.56 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 59 I 8.27 4.41 2.13 0.00 0.00 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 1.28 0.94 1.15 0.00 0.00 60 N 9.38 5.61 0.00 3.10 3.08 0.00 0.00 7.45 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 9.14 4.81 0.00 4.10 4.43 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 62 R 8.92 3.86 0.00 1.61 1.71 0.00 2.67 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.99 0.00 63 Y 7.84 4.27 0.00 1.95 1.53 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 64 W 8.57 4.91 0.00 3.46 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 65 C 8.31 5.51 0.00 3.11 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 66 N 8.91 5.24 0.00 2.84 2.68 0.00 0.00 7.03 8.01 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 67 D 8.63 4.92 0.00 2.82 2.61 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 68 G 8.55 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 0.00 0.00 0.00 69 K 8.40 4.55 0.00 1.87 1.86 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.44 7.81 70 T 7.69 4.51 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 71 P 0.00 4.28 0.00 2.00 1.98 0.00 3.76 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 8.93 3.76 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 0.00 0.00 0.00 73 A 7.35 4.69 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 74 V 8.03 3.96 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 0.75 0.00 0.00 0.83 0.00 0.00 75 N 8.03 4.22 0.00 2.89 2.76 0.00 0.00 7.12 8.08 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 76 A 8.18 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 77 C 8.53 4.56 0.00 3.31 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 78 H 7.96 4.05 0.00 3.37 3.39 0.00 5.62 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 79 L 8.05 4.79 0.00 1.71 1.50 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.32 4.75 0.00 3.83 3.68 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 81 C 8.74 4.05 0.00 2.31 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 82 S 7.73 3.84 0.00 3.97 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 0.00 83 A 7.86 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.07 4.47 0.00 1.87 1.82 1.05 0.49 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 85 L 7.44 5.33 0.00 1.79 1.72 1.09 1.02 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 86 Q 7.81 4.38 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 7.13 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 87 D 8.46 4.47 0.00 2.63 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 88 N 8.06 4.67 0.00 2.68 2.74 0.00 0.00 6.93 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 8.37 4.30 1.75 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 0.82 0.00 0.00 90 A 7.92 3.94 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 91 D 8.04 4.24 0.00 2.75 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 92 A 8.07 4.09 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 8.23 3.31 2.22 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 0.72 0.00 0.00 0.88 0.00 0.00 94 A 8.18 3.87 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 95 C 8.44 4.20 0.00 3.04 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 96 A 8.11 3.84 0.79 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 97 K 7.46 3.88 0.00 1.70 1.57 0.00 1.33 0.00 0.00 1.08 0.00 0.00 2.16 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.93 7.81 98 R 7.55 4.04 0.00 1.92 2.06 0.00 3.26 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 99 V 7.43 2.13 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 -0.07 0.00 0.00 -0.51 0.00 0.00 100 V 7.71 3.87 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 1.17 0.00 0.00 1.37 0.00 0.00 101 R 7.48 4.40 0.00 2.01 2.01 0.00 3.22 0.00 0.00 3.36 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 102 E 7.37 4.50 0.00 2.08 1.90 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 2.71 2.78 0.00 103 P 0.00 4.26 0.00 2.02 2.12 0.00 3.67 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 2.09 0.00 104 Q 8.15 4.16 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 105 G 7.67 3.83 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 0.00 0.00 0.00 106 I 7.89 3.87 1.17 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.86 -0.78 0.00 0.00 107 R 7.63 4.31 0.00 1.95 2.01 0.00 3.41 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 108 A 7.57 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 7.84 4.65 0.00 3.58 3.34 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 0.00 110 V 8.45 3.81 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 0.87 0.00 0.00 1.02 0.00 0.00 111 A 8.09 4.20 1.60 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 0.00 112 W 8.49 3.94 0.00 3.53 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 0.00 113 R 8.15 3.64 0.00 2.05 2.01 0.00 3.56 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 114 N 8.39 4.41 0.00 2.53 2.73 0.00 0.00 6.89 7.25 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 0.00 115 R 7.52 4.23 0.00 1.24 0.94 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.18 0.00 116 C 8.19 4.53 0.00 1.64 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 0.00 117 Q 6.47 3.49 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.81 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 118 N 8.73 4.22 0.00 2.81 2.85 0.00 0.00 6.86 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 7.37 4.57 0.00 1.83 1.77 0.00 3.13 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 120 D 8.57 4.61 0.00 2.65 2.61 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 0.00 121 V 8.28 4.71 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 0.83 0.00 0.00 1.06 0.00 0.00 122 R 7.60 4.20 0.00 1.90 2.02 0.00 3.33 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 123 Q 8.02 4.04 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 1.70 2.06 0.00 124 Y 7.91 4.25 0.00 3.28 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 0.00 125 V 7.63 4.40 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 1.11 0.00 0.00 1.06 0.00 0.00 126 Q 7.56 4.15 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 127 G 9.03 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 0.00 128 C 7.87 4.43 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.09 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 7.90 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 0.86 0.00 0.00 0.96 0.00 0.00