NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2592 8.3301 115.4099 58.5053 63.6465 173.8499 2 A 3.4208 8.4299 131.3523 50.6070 17.1533 172.4257 3 D 4.6676 7.6040 109.7023 54.5902 42.6935 175.7372 4 H 4.1632 7.9632 116.3950 57.9084 28.5470 177.0949 5 E 4.0863 7.7288 120.2012 58.4730 29.3871 178.8999 6 R 4.0206 7.9899 119.4024 59.2335 30.2819 178.0046 7 E 3.9856 8.1261 118.4107 58.8535 29.4661 178.3191 8 A 4.0144 7.7647 120.4739 55.3082 18.2647 179.1407 9 Q 4.0598 7.7913 116.6308 58.9242 28.9401 178.1524 10 K 3.9865 8.1238 120.7570 59.2599 32.0639 178.6929 11 A 4.0044 7.9406 120.8027 55.0666 18.1192 179.4385 12 E 3.9527 7.9710 116.5562 59.5424 29.3613 179.1792 13 E 3.9639 8.1351 118.9884 59.0200 29.8700 178.2774 14 E 3.9193 7.8759 119.6839 59.1289 29.6879 178.5471 15 L 3.9262 7.6906 120.5290 58.2509 42.1874 178.9355 16 Q 4.0375 7.9153 118.1761 58.7262 28.6277 178.7414 17 K 3.9480 7.8782 120.7385 59.5727 32.2594 179.0510 18 V 3.6272 7.7106 118.1716 65.8470 31.4130 177.8587 19 L 4.0868 7.8425 120.1205 57.4211 41.0998 179.4818 20 E 4.1865 8.0139 119.2072 58.9027 29.3890 179.2806 21 E 3.8643 8.4602 118.5339 59.1500 29.5188 179.1217 22 A 4.1188 8.5853 121.7185 55.1269 18.2196 179.8349 23 S 4.1356 8.3052 112.8153 61.0902 62.8312 176.8551 24 K 3.6095 7.4147 123.0702 59.2171 32.0808 178.8643 25 K 3.9112 7.9946 118.4808 59.4884 32.0550 179.0644 26 A 3.8787 8.5738 121.2083 55.1189 18.2334 179.8615 27 V 3.3587 7.1720 115.1747 66.1763 31.4666 177.8032 28 E 4.0611 7.6914 116.8214 58.1748 29.5759 178.2619 29 A 4.0851 8.3178 121.6888 55.4392 18.5651 179.5000 30 E 4.1074 8.1229 116.5907 58.0936 29.8399 177.2303 31 R 4.4762 7.3331 117.6374 57.0801 28.9265 174.4849 32 G 3.3962 8.2443 117.1059 45.1335 0.0000 171.8153 33 A 4.2932 7.5407 124.2569 50.7810 19.3623 174.8044 34 P 4.5213 0.0000 0.0000 62.7792 32.4364 175.0550 35 G 4.2358 9.2084 118.1289 44.9316 0.0000 177.0017 36 A 4.0202 9.4545 120.0661 49.2411 18.2886 176.5856 37 A 3.9583 9.0561 122.5646 50.2942 18.4634 179.2623 38 L 4.3396 7.2442 117.1430 53.4834 42.8618 175.3197 39 I 4.2745 7.8792 117.8403 60.7007 40.4027 171.7473 40 S 4.2489 8.5516 118.2579 58.2264 63.2208 168.9468 41 Y 3.9893 8.6135 127.9287 60.1721 38.8250 176.1083 42 P 4.3078 0.0000 0.0000 64.6215 31.6945 176.3448 43 D 4.6158 7.8796 116.6008 52.9014 40.2255 177.7436 44 A 4.0873 7.9396 124.0935 55.5155 18.3729 179.9439 45 I 3.8517 7.7919 116.7455 63.9735 36.7380 178.0835 46 W 4.6138 8.2739 119.6972 59.5782 28.8812 178.1111 47 W 4.4044 8.3247 128.4901 60.4287 29.7321 177.8635 48 S 3.5932 8.3552 113.2106 61.1513 61.5468 176.3561 49 V 3.5788 7.6597 120.5378 65.9883 31.4143 177.6250 50 E 4.2005 7.4988 115.9230 58.3931 29.6606 178.9105 51 T 3.5739 7.1187 117.3449 66.5701 68.2721 176.4059 52 A 4.1602 7.7533 122.3560 54.9734 18.1272 179.4684 53 T 4.2178 7.4971 106.2502 62.7786 69.0822 175.7859 54 T 3.4314 7.5527 109.8860 62.2259 68.2364 173.0575 55 V 3.6052 7.7175 122.2166 66.1313 31.6403 176.3165 56 G 4.2516 8.1645 110.7764 45.3435 0.0000 173.1781 57 Y 3.6262 7.3214 122.5535 55.9794 38.1944 170.0020 58 G 4.9138 7.7314 121.4070 46.2866 0.0000 172.8687 59 D 4.3509 7.3596 120.3256 54.9918 40.8914 177.5658 60 R 4.6372 8.2254 118.2976 55.2476 35.2564 173.4684 61 Y 5.2342 7.4115 114.8820 55.7129 40.2794 172.5636 62 P 4.7478 0.0000 0.0000 62.1344 34.0967 177.1187 63 V 4.4941 7.8231 121.0186 63.2884 29.3997 177.6411 64 T 4.4899 8.5064 110.3942 63.7351 70.7447 174.4697 65 E 4.1672 8.1151 119.2063 56.3441 30.5287 176.5026 66 E 4.3161 7.4431 116.1802 58.1144 30.8506 176.8802 67 G 4.3432 8.2300 108.0979 47.0038 0.0000 174.8088 68 R 4.3805 7.7240 120.6009 59.4242 31.0270 176.6789 69 K 3.9672 8.2831 117.8669 58.9010 31.6761 178.7826 70 V 3.5729 8.1794 119.4645 66.0129 31.5377 177.8023 71 A 4.1733 8.0695 119.8720 55.2007 18.3620 178.6678 72 E 3.8843 8.4110 118.1032 59.6744 29.5721 178.9792 73 Q 3.9144 8.0599 119.1541 59.2872 29.1846 178.5059 74 V 3.5644 7.5055 119.0075 66.1221 31.7025 177.8901 75 M 4.0929 8.4873 118.7875 58.4657 31.8836 178.7919 76 K 3.9904 8.3040 119.3961 59.0267 32.3064 178.7682 77 A 4.0139 8.1579 121.7010 54.7500 18.1999 179.7954 78 G 3.2030 7.7426 105.5387 47.2904 0.0000 175.9068 79 I 3.6947 7.2628 122.4170 64.1209 37.1581 178.5368 80 E 3.9956 8.0035 119.1110 58.9780 28.7799 179.7496 81 V 3.4905 7.1704 118.1724 66.0143 31.4535 178.1984 82 F 4.5315 7.5713 115.6466 59.9566 38.9386 177.1632 83 A 4.2654 7.9594 120.9652 54.7043 18.5055 179.1830 84 L 3.9418 7.8868 118.8864 58.4007 42.1188 179.2860 85 V 3.8332 7.6012 110.6403 63.3893 31.4665 177.9574 86 T 3.9890 8.0010 115.9595 65.4845 67.9984 175.9234 87 A 4.2644 8.1843 122.5776 54.5474 18.2016 178.7555 88 A 4.3301 8.2220 119.4684 54.4066 19.3059 179.6440 89 L 4.0243 7.7351 116.7911 57.7115 42.0330 178.8746 90 A 4.2328 8.5511 120.1977 54.1927 18.1319 178.2170 91 T 4.1424 7.4672 108.1483 62.1574 67.3799 175.6547 92 D 4.3539 8.2224 120.7705 57.9233 41.3694 177.9669 93 F 4.3172 8.2614 114.8867 59.8030 37.9747 177.4454 94 V 3.1431 6.6159 117.6360 65.1692 31.2013 178.0686 95 R 3.9453 7.6635 118.0285 58.7936 29.6191 178.3812 96 R 4.1587 7.6660 114.1089 57.7486 29.8997 177.8612 97 E 4.1260 8.2138 121.1349 59.0838 29.7558 178.0047 98 E 3.9538 8.0028 118.0369 59.5740 29.6761 178.6528 99 E 4.1442 7.9126 115.6827 57.8820 29.8541 178.0518 100 R 4.1123 7.6669 119.1298 58.9258 30.4314 177.7404 101 R 4.0022 7.9820 116.0131 57.2415 30.3604 177.6120 102 G 4.0141 9.7637 104.3641 45.5650 0.0000 173.0133 103 H 4.3131 7.7400 121.4984 55.9764 29.8223 173.2432 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 4.26 0.00 3.97 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 2 A 8.43 3.42 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 3 D 7.60 4.67 0.00 2.85 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 4 H 7.96 4.16 0.00 3.46 3.63 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.73 4.09 0.00 1.94 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 2.41 2.36 0.00 6 R 7.99 4.02 0.00 1.87 2.02 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 7 E 8.13 3.99 0.00 2.08 1.94 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 2.38 2.38 0.00 8 A 7.76 4.01 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 9 Q 7.79 4.06 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 10 K 8.12 3.99 0.00 2.04 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 11 A 7.94 4.00 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 12 E 7.97 3.95 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 13 E 8.14 3.96 0.00 2.09 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 0.00 2.39 2.43 0.00 14 E 7.88 3.92 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 15 L 7.69 3.93 0.00 1.67 1.79 0.78 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.92 4.04 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 17 K 7.88 3.95 0.00 1.78 2.00 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 18 V 7.71 3.63 2.19 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 0.98 0.00 0.00 0.99 0.00 0.00 19 L 7.84 4.09 0.00 1.97 1.76 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.01 4.19 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 21 E 8.46 3.86 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 2.36 2.56 0.00 22 A 8.59 4.12 1.48 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 23 S 8.31 4.14 0.00 3.80 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 0.00 24 K 7.41 3.61 0.00 1.91 2.01 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.63 7.81 25 K 7.99 3.91 0.00 1.98 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 26 A 8.57 3.88 1.21 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 0.00 0.00 27 V 7.17 3.36 1.92 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 1.04 0.00 0.00 0.78 0.00 0.00 28 E 7.69 4.06 0.00 1.94 1.94 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 2.32 2.32 0.00 29 A 8.32 4.09 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 30 E 8.12 4.11 0.00 1.92 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 2.18 2.19 0.00 31 R 7.33 4.48 0.00 1.89 1.89 0.00 3.29 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 32 G 8.24 3.40 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 0.00 33 A 7.54 4.29 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 34 P 0.00 4.52 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 35 G 9.21 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 0.00 0.00 0.00 0.00 36 A 9.45 4.02 1.17 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 0.00 0.00 37 A 9.06 3.96 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 38 L 7.24 4.34 0.00 1.17 1.20 0.81 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.88 4.27 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.52 0.84 0.00 0.00 40 S 8.55 4.25 0.00 4.02 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 41 Y 8.61 3.99 0.00 3.04 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 42 P 0.00 4.31 0.00 2.04 2.07 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 43 D 7.88 4.62 0.00 2.87 2.81 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 44 A 7.94 4.09 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 45 I 7.79 3.85 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.50 0.88 0.00 0.00 46 W 8.27 4.61 0.00 3.54 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.32 4.40 0.00 3.46 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 48 S 8.36 3.59 0.00 4.32 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 49 V 7.66 3.58 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 1.05 0.00 0.00 1.07 0.00 0.00 50 E 7.50 4.20 0.00 2.37 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 0.00 2.23 2.41 0.00 51 T 7.12 3.57 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 0.89 0.00 0.00 52 A 7.75 4.16 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 53 T 7.50 4.22 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 1.32 0.00 0.00 54 T 7.55 3.43 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 1.33 0.00 0.00 55 V 7.72 3.61 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 0.52 0.00 0.00 0.93 0.00 0.00 56 G 8.16 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 0.00 0.00 0.00 0.00 57 Y 7.32 3.63 0.00 3.36 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 58 G 7.73 4.91 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 0.00 0.00 0.00 59 D 7.36 4.35 0.00 2.86 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 60 R 8.23 4.64 0.00 1.87 1.62 0.00 3.31 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 61 Y 7.41 5.23 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.75 0.00 2.38 1.87 0.00 4.11 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 63 V 7.82 4.49 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 0.82 0.00 0.00 1.10 0.00 0.00 64 T 8.51 4.49 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 65 E 8.12 4.17 0.00 1.91 1.94 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 2.23 2.28 0.00 66 E 7.44 4.32 0.00 2.18 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 0.00 2.51 2.29 0.00 67 G 8.23 4.34 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 0.00 68 R 7.72 4.38 0.00 2.19 1.97 0.00 3.27 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 69 K 8.28 3.97 0.00 1.93 1.88 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.53 7.81 70 V 8.18 3.57 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 1.22 0.00 0.00 1.03 0.00 0.00 71 A 8.07 4.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.88 0.00 2.18 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 0.00 2.32 2.36 0.00 73 Q 8.06 3.91 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 74 V 7.51 3.56 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 0.89 0.00 0.00 1.05 0.00 0.00 75 M 8.49 4.09 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 76 K 8.30 3.99 0.00 1.94 1.77 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 77 A 8.16 4.01 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 78 G 7.74 3.20 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 0.00 79 I 7.26 3.69 1.83 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 1.62 0.73 0.94 0.00 0.00 80 E 8.00 4.00 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 81 V 7.17 3.49 1.82 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 1.11 0.00 0.00 0.87 0.00 0.00 82 F 7.57 4.53 0.00 3.17 2.98 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 83 A 7.96 4.27 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 84 L 7.89 3.94 0.00 1.90 1.84 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.60 3.83 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 1.03 0.00 0.00 1.03 0.00 0.00 86 T 8.00 3.99 4.30 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 1.24 0.00 0.00 87 A 8.18 4.26 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 88 A 8.22 4.33 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 89 L 7.74 4.02 0.00 1.76 1.76 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.55 4.23 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 91 T 7.47 4.14 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 0.96 0.00 0.00 92 D 8.22 4.35 0.00 2.85 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 93 F 8.26 4.32 0.00 3.26 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 94 V 6.62 3.14 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 0.87 0.00 0.00 -0.16 0.00 0.00 95 R 7.66 3.95 0.00 1.95 1.94 0.00 3.38 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 96 R 7.67 4.16 0.00 2.00 2.08 0.00 3.14 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 1.79 1.75 0.00 97 E 8.21 4.13 0.00 2.07 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 2.26 2.37 0.00 98 E 8.00 3.95 0.00 2.13 1.97 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 2.35 2.24 0.00 99 E 7.91 4.14 0.00 1.99 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 2.57 2.38 0.00 100 R 7.67 4.11 0.00 1.99 2.09 0.00 3.26 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 101 R 7.98 4.00 0.00 2.00 1.98 0.00 3.42 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 102 G 9.76 4.01 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 0.00 0.00 0.00 103 H 7.74 4.31 0.00 3.08 3.14 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00