NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6007 8.4293 116.2013 55.1462 30.3013 173.2659 2 C 4.1003 7.6587 114.0601 56.9890 30.1743 172.2364 3 D 4.5950 8.3601 118.6993 54.9723 40.1688 175.4245 4 L 4.0635 8.0226 120.5101 57.1323 42.2317 175.7159 5 P 4.5822 0.0000 0.0000 62.2048 32.4177 175.2196 6 C 4.3065 8.4447 113.0588 57.7720 30.7723 175.0641 7 G 3.8949 8.2812 107.3734 45.3380 0.0000 172.8442 8 V 4.2856 7.2060 118.9887 61.0496 32.5792 174.3734 9 Y 4.7299 8.1184 123.7093 56.5958 42.0834 174.6126 10 D 3.8295 7.9037 119.2598 51.6677 43.9745 174.5661 11 P 4.1259 0.0000 0.0000 64.4619 31.1686 178.0847 12 A 3.9761 8.5606 120.7794 55.0517 18.0012 179.6808 13 Q 3.7695 7.8866 116.4439 59.0403 28.7362 178.8201 14 A 4.0440 7.7597 121.2375 55.0477 18.4335 179.3901 15 R 3.8348 8.1509 117.3719 59.7785 30.3157 178.7749 16 I 3.8740 8.0566 119.8618 64.5455 37.0680 178.3620 17 E 4.0207 8.0612 119.2746 59.2887 29.3090 179.2414 18 A 4.0887 8.2809 120.9062 55.0213 18.2921 179.5721 19 E 3.9816 8.4918 117.7953 59.5824 29.4063 179.6728 20 S 4.1164 7.9400 115.0190 61.3582 62.8632 176.7017 21 V 3.5609 7.7967 120.9866 66.0912 31.2883 178.0851 22 K 4.1447 8.1354 119.0132 59.4060 32.0146 178.5525 23 A 4.2034 8.3661 121.4735 55.2644 18.2594 179.7293 24 I 3.7296 8.0754 118.5125 64.6423 37.0424 178.6482 25 Q 4.0517 8.1130 118.9307 59.0183 28.3646 178.7825 26 E 4.0151 8.4043 119.6607 59.4260 29.1514 179.5760 27 K 4.1404 8.1478 118.3150 59.3554 31.9059 179.1069 28 M 4.5100 8.0109 117.8496 57.6215 31.9872 178.0238 29 A 4.1690 7.6949 120.2822 54.1875 18.6808 178.0674 30 A 4.2689 7.6004 118.5009 52.9279 19.6204 176.7995 31 N 4.8058 7.8918 113.3612 52.2652 41.1558 173.2239 32 D 4.7999 8.7477 124.5531 54.2463 41.4187 176.6412 33 D 4.4435 8.7375 121.0298 54.0852 42.4965 176.2531 34 L 3.9321 8.6825 128.5998 59.0405 42.1812 179.0627 35 H 4.1564 8.3238 115.3177 58.5880 28.6681 177.5554 36 F 4.1866 8.6717 122.7381 61.4158 39.3017 177.2365 37 Q 3.8805 8.4027 117.8304 58.8258 28.3781 179.0265 38 I 3.6370 7.8430 120.8152 64.4746 37.1431 178.6862 39 R 3.8187 7.9801 118.6436 59.1557 29.7852 179.0162 40 A 3.7306 7.9556 120.8590 55.2725 18.2573 179.8774 41 T 3.7150 7.7861 114.1986 66.5907 68.5355 176.9991 42 V 3.5247 7.8220 120.2008 66.2949 31.5632 178.2330 43 I 4.0121 7.8288 120.8928 63.6326 36.8990 178.3597 44 K 3.9088 8.2862 120.8537 59.3073 32.0491 178.4359 45 E 3.9113 8.1789 119.6655 59.4002 29.0516 178.8974 46 Q 3.9826 7.8772 117.5379 59.1634 28.8100 179.0625 47 R 4.0099 8.2395 118.9043 59.0315 30.0159 178.9824 48 A 4.0264 8.2170 120.8555 54.9113 18.3189 179.3008 49 E 3.8624 8.1346 117.8205 59.4286 29.6586 179.0781 50 L 3.9400 7.8995 118.5789 57.6770 41.6886 179.3075 51 A 4.0558 8.1677 120.7261 55.1729 18.2603 179.8532 52 K 3.9276 8.2932 117.1051 59.7078 32.0857 178.9987 53 H 4.1428 8.3570 118.5049 59.7700 29.9388 176.9682 54 H 4.2073 8.3204 118.0296 58.9398 28.4706 177.8717 55 L 4.1046 8.0145 120.7411 57.8593 41.4954 179.1105 56 D 4.5469 8.5615 119.3481 57.4636 40.7204 179.1438 57 V 3.7338 8.0676 118.7309 65.9836 31.4807 178.0422 58 L 3.9385 7.9660 118.4680 57.5395 41.2438 179.4025 59 W 4.6024 8.4904 127.4605 60.6809 30.8372 177.8175 60 S 4.0389 8.8670 113.2222 60.3142 62.8680 175.0977 61 D 4.7184 8.3127 120.8751 55.9325 41.8895 177.4072 62 Y 3.3948 7.4538 118.1334 60.1548 38.9802 175.7717 63 F 4.0462 7.8878 118.1786 57.2429 39.5185 175.1094 64 K 4.5506 8.0527 123.5662 53.5083 35.3024 175.1646 65 P 4.4479 0.0000 0.0000 65.9357 31.0822 177.1091 66 P 4.2654 0.0000 0.0000 65.8605 31.1307 178.4171 67 H 4.3612 7.9613 115.1528 58.9150 28.3883 177.8817 68 F 4.3233 7.6923 117.9209 60.1344 38.8255 177.2926 69 E 4.1846 7.9857 117.7901 59.5944 29.4467 179.1407 70 S 4.2732 8.0817 113.8661 59.9926 64.0749 174.1379 71 Y 4.6051 7.9944 119.5906 54.6353 37.8140 174.0325 72 P 4.4003 0.0000 0.0000 64.7125 31.9960 177.1145 73 E 4.4655 8.1211 114.3560 56.2230 30.6745 177.5219 74 L 3.9062 8.3156 122.9219 58.7898 42.0907 178.2257 75 H 4.3891 8.3925 115.5166 59.5293 28.6572 177.6774 76 T 3.8199 7.9449 116.7468 66.4048 68.3243 176.2429 77 L 3.9192 8.1877 122.5166 58.2569 42.1730 179.3059 78 V 3.5582 7.9352 118.2350 65.9040 31.4699 177.4602 79 N 4.0618 8.0636 116.8466 56.6523 38.6553 176.7589 80 E 3.7341 8.3222 120.1998 58.8937 29.3553 179.2049 81 A 3.9567 7.5652 120.8450 55.3874 18.5529 180.2219 82 V 3.6154 7.7517 110.8722 64.3682 31.5610 179.0616 83 K 3.9925 8.0996 118.2198 59.1879 31.8335 179.2734 84 A 4.1022 8.2112 121.5311 55.0731 18.2756 179.7100 85 L 4.0325 7.9602 117.6991 57.9257 41.4185 179.8253 86 S 4.1207 8.1648 115.0829 61.5140 62.5185 176.5797 87 A 3.9939 7.9888 122.4091 55.0260 18.5042 179.2743 88 A 4.1784 7.9670 120.7599 54.5334 18.1738 179.9675 89 K 3.9547 7.8356 116.3842 59.2251 32.1428 178.3202 90 A 4.5148 7.3480 118.1953 51.1629 18.9540 176.5771 91 S 4.6457 7.3035 112.3832 57.7240 65.6569 173.9302 92 T 4.3855 8.3208 112.7811 61.2378 69.6660 173.7275 93 D 4.5342 8.1958 124.2011 53.2069 41.4425 175.0897 94 P 4.6807 0.0000 0.0000 64.6969 31.2690 178.3121 95 A 3.9925 8.8300 120.6758 55.0916 17.7690 179.7286 96 T 4.0123 8.2613 108.9485 64.9016 68.9685 177.3352 97 G 3.6012 8.1231 108.1794 47.4459 0.0000 175.3583 98 Q 3.9788 8.4182 122.2230 58.7981 29.1826 178.1568 99 K 3.7619 8.1749 120.5783 59.3022 32.2175 178.6871 100 A 4.1733 7.9031 120.6166 55.2967 18.3671 179.6534 101 L 4.0148 7.9921 117.5160 57.9292 41.6377 179.5645 102 D 4.3294 8.2517 119.0856 57.5511 40.7533 178.3962 103 Y 4.3434 7.7472 116.8997 61.2070 37.8562 178.6045 104 I 3.8069 8.1517 120.6034 64.3497 37.1675 178.3481 105 A 4.1874 8.2609 121.6714 55.2096 18.2027 179.7666 106 Q 4.0400 8.0036 116.3076 59.1622 28.7418 178.9216 107 I 3.8135 7.9664 120.9851 64.2881 37.1516 177.9131 108 D 4.4191 8.7084 119.4547 57.1995 41.1393 178.2158 109 K 4.1093 8.2197 120.1385 59.7286 32.2652 178.8747 110 I 3.4981 7.6666 119.5750 64.0582 36.7066 177.8883 111 F 4.0161 8.4039 120.8882 61.4813 39.3325 177.2116 112 W 4.1943 8.3201 117.9828 59.5141 28.9052 178.4935 113 E 4.1240 8.1405 118.8177 59.4025 28.7070 179.0339 114 T 4.1213 7.7459 108.3589 63.7244 69.0791 176.2010 115 K 4.1029 7.2731 120.2990 57.7661 32.2994 178.7518 116 K 4.1884 7.6409 118.3305 58.9335 32.3906 176.6277 117 A 4.1907 8.0407 124.5959 52.5760 18.3087 176.9615 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 H 8.43 4.60 0.00 3.27 3.27 0.00 5.48 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.66 4.10 0.00 3.11 2.92 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 3 D 8.36 4.60 0.00 2.88 2.85 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 4 L 8.02 4.06 0.00 1.59 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.28 2.09 0.00 3.80 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 1.99 1.98 0.00 6 C 8.44 4.31 0.00 3.00 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 7 G 8.28 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.21 4.29 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 0.88 0.00 0.00 0.91 0.00 0.00 9 Y 8.12 4.73 0.00 2.77 2.40 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 10 D 7.90 3.83 0.00 2.60 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 0.00 0.00 0.00 0.00 11 P 0.00 4.13 0.00 2.27 1.89 0.00 3.09 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.00 12 A 8.56 3.98 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 13 Q 7.89 3.77 0.00 1.82 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 14 A 7.76 4.04 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 15 R 8.15 3.83 0.00 1.89 2.07 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 16 I 8.06 3.87 1.86 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 1.52 1.12 0.91 0.00 0.00 17 E 8.06 4.02 0.00 2.12 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 2.55 2.56 0.00 18 A 8.28 4.09 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 19 E 8.49 3.98 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 2.34 2.53 0.00 20 S 7.94 4.12 0.00 4.11 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 21 V 7.80 3.56 2.28 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 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.14 4.14 0.00 1.89 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.57 7.81 23 A 8.37 4.20 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 24 I 8.08 3.73 2.04 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 1.54 0.74 0.91 0.00 0.00 25 Q 8.11 4.05 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 26 E 8.40 4.02 0.00 2.23 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 2.34 2.55 0.00 27 K 8.15 4.14 0.00 2.19 2.11 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.75 7.81 28 M 8.01 4.51 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.47 0.00 29 A 7.69 4.17 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 30 A 7.60 4.27 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 31 N 7.89 4.81 0.00 2.33 2.23 0.00 0.00 6.98 8.47 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 32 D 8.75 4.80 0.00 2.73 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 33 D 8.74 4.44 0.00 2.86 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 34 L 8.68 3.93 0.00 1.79 1.65 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.32 4.16 0.00 3.46 3.40 0.00 5.87 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 36 F 8.67 4.19 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.40 3.88 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 38 I 7.84 3.64 1.97 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 1.47 0.72 0.87 0.00 0.00 39 R 7.98 3.82 0.00 1.85 1.91 0.00 3.16 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 40 A 7.96 3.73 0.75 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 0.00 0.00 41 T 7.79 3.71 4.31 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 1.17 0.00 0.00 42 V 7.82 3.52 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 1.01 0.00 0.00 0.94 0.00 0.00 43 I 7.83 4.01 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.03 0.90 0.00 0.00 44 K 8.29 3.91 0.00 1.82 1.97 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.18 3.91 0.00 2.29 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 2.29 2.38 0.00 46 Q 7.88 3.98 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 47 R 8.24 4.01 0.00 1.83 2.10 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 48 A 8.22 4.03 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 49 E 8.13 3.86 0.00 2.20 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 2.29 2.38 0.00 50 L 7.90 3.94 0.00 1.95 1.70 0.93 0.59 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 51 A 8.17 4.06 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 52 K 8.29 3.93 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 53 H 8.36 4.14 0.00 3.22 3.43 0.00 5.79 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 54 H 8.32 4.21 0.00 3.36 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.01 4.10 0.00 1.89 1.76 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.56 4.55 0.00 2.90 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 57 V 8.07 3.73 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 1.26 0.00 0.00 0.92 0.00 0.00 58 L 7.97 3.94 0.00 2.10 1.72 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.49 4.60 0.00 3.50 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 60 S 8.87 4.04 0.00 4.05 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 61 D 8.31 4.72 0.00 2.98 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 62 Y 7.45 3.39 0.00 1.43 2.40 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 63 F 7.89 4.05 0.00 2.93 2.04 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 64 K 8.05 4.55 0.00 1.40 1.53 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.13 7.81 65 P 0.00 4.45 0.00 2.14 2.17 0.00 3.55 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 2.12 2.25 0.00 66 P 0.00 4.27 0.00 1.97 2.03 0.00 3.34 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 H 7.96 4.36 0.00 2.89 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.69 4.32 0.00 3.17 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 69 E 7.99 4.18 0.00 2.19 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 2.59 2.51 0.00 70 S 8.08 4.27 0.00 3.83 3.50 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 71 Y 7.99 4.61 0.00 3.04 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 72 P 0.00 4.40 0.00 2.07 2.17 0.00 3.68 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 2.25 0.00 73 E 8.12 4.47 0.00 2.16 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 0.00 2.37 2.29 0.00 74 L 8.32 3.91 0.00 1.82 1.90 0.54 -0.13 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 75 H 8.39 4.39 0.00 3.25 3.34 0.00 5.68 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 76 T 7.94 3.82 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 1.22 0.00 0.00 77 L 8.19 3.92 0.00 1.83 1.84 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.94 3.56 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 0.92 0.00 0.00 1.12 0.00 0.00 79 N 8.06 4.06 0.00 2.70 2.74 0.00 0.00 7.23 7.08 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 80 E 8.32 3.73 0.00 1.34 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 2.13 2.35 0.00 81 A 7.57 3.96 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 82 V 7.75 3.62 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 0.93 0.00 0.00 0.88 0.00 0.00 83 K 8.10 3.99 0.00 1.94 1.81 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 84 A 8.21 4.10 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 85 L 7.96 4.03 0.00 1.89 1.73 0.94 0.99 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 86 S 8.16 4.12 0.00 4.04 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 87 A 7.99 3.99 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 7.97 4.18 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 89 K 7.84 3.95 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.35 4.51 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.30 4.65 0.00 3.82 3.75 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 T 8.32 4.39 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 93 D 8.20 4.53 0.00 2.71 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 94 P 0.00 4.68 0.00 2.20 2.11 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.83 3.99 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 96 T 8.26 4.01 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 97 G 8.12 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 98 Q 8.42 3.98 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 99 K 8.17 3.76 0.00 1.95 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.26 7.81 100 A 7.90 4.17 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 0.00 101 L 7.99 4.01 0.00 1.88 1.74 0.93 1.16 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 0.00 102 D 8.25 4.33 0.00 2.58 2.54 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 0.00 103 Y 7.75 4.34 0.00 3.23 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 0.00 104 I 8.15 3.81 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.94 0.00 0.00 105 A 8.26 4.19 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 0.00 106 Q 8.00 4.04 0.00 2.46 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 107 I 7.97 3.81 2.11 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 1.46 0.87 1.09 0.00 0.00 108 D 8.71 4.42 0.00 2.83 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 0.00 109 K 8.22 4.11 0.00 1.98 2.04 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.53 1.58 7.81 110 I 7.67 3.50 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.81 -0.08 0.00 0.00 111 F 8.40 4.02 0.00 2.92 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 0.00 112 W 8.32 4.19 0.00 3.58 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 0.00 113 E 8.14 4.12 0.00 2.26 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 2.44 2.68 0.00 114 T 7.75 4.12 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 1.24 0.00 0.00 115 K 7.27 4.10 0.00 1.89 1.91 0.00 1.47 0.00 0.00 0.87 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.54 0.51 7.81 116 K 7.64 4.19 0.00 2.09 1.91 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.68 7.81 117 A 8.04 4.19 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00