NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2470 8.1727 120.1344 56.8345 34.8465 173.8680 2 V 4.5499 8.0829 121.5859 61.0001 32.2782 174.7685 3 F 4.4928 9.4892 128.1573 57.3177 40.3005 174.7852 4 E 4.1895 9.3137 122.9700 55.6898 30.8999 176.7195 5 R 3.4226 9.0111 123.8446 60.5399 29.9281 179.5086 6 C 4.3897 8.3459 115.2812 59.3466 34.5801 175.7421 7 E 3.8878 8.1456 121.0932 59.1932 29.2501 178.5874 8 L 3.5839 7.9906 120.1712 57.7240 42.0832 178.4626 9 A 3.9275 7.8541 120.7682 55.5740 18.3285 179.9355 10 R 3.9096 8.1744 116.3987 59.5087 29.9646 179.6285 11 T 3.8366 7.6594 115.1610 66.6777 68.5334 176.8100 12 L 3.8240 8.1414 121.3155 57.6234 41.3445 179.5878 13 K 3.9782 7.7696 118.7607 59.4791 32.2926 178.8695 14 R 4.1228 7.9338 118.5149 58.9485 29.6852 178.0930 15 L 4.4427 7.8881 116.7676 54.2986 41.7086 177.0967 16 G 3.9766 7.4797 105.7960 47.0143 0.0000 175.5499 17 M 3.9040 7.8816 121.5428 56.4840 32.3991 175.6751 18 D 4.5698 7.9949 117.7020 56.4115 41.0232 175.9308 19 G 3.9578 9.6457 116.5242 45.0652 0.0000 171.3890 20 Y 4.0870 8.2042 122.0650 58.8153 38.8506 176.2639 21 R 3.6682 9.0874 125.2685 57.1066 27.6344 177.4463 22 G 3.8798 8.3728 106.1021 45.2651 0.0000 174.2683 23 I 3.9081 7.6082 122.3333 60.0401 37.6175 176.0730 24 S 4.6721 8.3312 120.7488 57.7848 65.0616 174.8580 25 L 4.2093 8.6282 123.6076 58.4653 41.7359 179.1359 26 A 4.1246 8.1206 120.2196 55.3129 18.3455 179.2103 27 N 4.4252 7.9656 113.7218 56.1091 38.5699 177.7859 28 W 4.2646 7.9212 120.5741 59.9481 29.1569 178.4967 29 M 4.1968 8.6095 119.0993 58.5531 31.4171 177.9718 30 C 3.4320 8.2387 118.7984 59.1705 44.8499 175.3132 31 L 4.0452 8.0632 121.6525 58.2578 41.6423 178.7262 32 A 4.1077 8.3010 120.7065 55.0085 18.3888 179.4180 33 K 3.0690 8.1829 117.9320 59.4598 32.0926 179.1365 34 W 4.0960 7.7613 117.1768 58.9701 29.0389 178.2756 35 E 4.3759 8.2133 118.5391 58.4515 29.7340 177.5758 36 S 4.5168 8.1318 110.0637 56.4966 64.5091 174.6011 37 G 3.3268 7.9642 108.7413 46.9276 0.0000 173.5260 38 Y 3.7017 7.8513 113.5672 58.4422 34.7963 168.2776 39 N 5.3199 7.5744 118.5989 51.9541 39.9042 175.5841 40 T 4.0690 8.9297 117.8288 63.4967 70.0638 175.6508 41 R 4.7891 7.7632 117.7292 55.8328 30.3664 176.5298 42 A 4.4129 7.7852 121.6022 52.9959 19.5226 177.6587 43 T 4.9470 8.3010 110.8189 60.0157 72.4338 173.2211 44 N 4.8065 8.9217 122.1125 52.1358 41.9124 172.2308 45 Y 4.8052 8.6964 128.2696 57.2203 40.0119 174.3927 46 N 4.5802 8.9477 124.8860 51.2337 39.2987 175.6251 47 A 3.5294 8.1584 127.9574 54.4250 18.8910 178.9836 48 G 3.6924 7.9972 104.6783 48.0045 0.0000 174.0891 49 D 4.7964 7.6234 115.6626 51.8169 39.9285 175.4084 50 R 3.9484 7.5276 116.2410 57.6098 28.5588 176.0023 51 S 5.0095 7.7044 110.8603 57.1847 66.2336 172.8422 52 T 5.1686 9.0404 116.7290 62.0554 72.7306 172.6908 53 D 5.3866 8.9775 125.5415 53.2999 43.2994 175.0169 54 Y 4.8894 8.9431 120.6092 57.3699 41.2988 177.5841 55 G 4.6228 9.1008 112.4302 43.8984 0.0000 173.2894 56 M 4.3325 8.5942 116.5767 57.6977 32.1281 177.9795 57 F 4.5820 7.9145 113.7151 56.4562 40.0402 175.5497 58 Q 3.5065 7.8434 119.1711 57.0547 26.6013 174.2784 59 I 4.3887 8.1330 118.9188 60.8007 39.1215 177.0421 60 N 5.2292 9.2374 126.8169 53.6838 39.5360 175.8052 61 S 4.6668 9.2103 120.9921 60.5262 63.3893 175.4065 62 R 3.8632 8.7415 121.4161 58.2602 30.4056 177.7248 63 Y 4.2901 7.8353 114.2919 57.7185 40.7807 176.6605 64 W 4.9300 8.2443 118.5569 57.1394 31.5725 173.7250 65 C 5.6297 8.1149 112.4027 53.7868 40.6841 172.3378 66 N 5.2305 9.0177 119.3242 52.2387 40.1621 174.8539 67 D 4.6789 8.4559 122.4572 51.8691 40.8270 176.1547 68 G 3.9313 8.5757 107.2313 46.3860 0.0000 174.3477 69 K 4.5122 8.5062 116.2651 55.9265 33.2397 175.7548 70 T 4.6982 7.7220 116.3499 60.7699 70.0482 172.5562 71 P 4.2271 0.0000 0.0000 63.9345 32.0970 176.4235 72 G 3.9213 8.5299 109.7835 46.4091 0.0000 172.8891 73 A 4.6127 7.7266 118.3610 50.8525 20.3358 178.4414 74 V 4.3117 8.2568 114.1083 59.2529 34.7597 175.6288 75 N 4.9730 8.1262 119.6972 51.6767 37.6162 174.4310 76 A 3.9381 8.4990 124.9080 55.1532 19.0633 178.5971 77 C 4.4775 8.4491 110.7707 57.4085 41.2243 173.1086 78 H 4.1704 8.0029 116.4542 56.2501 26.1990 174.1234 79 L 4.7463 8.3446 118.3990 53.1158 46.6824 176.3454 80 S 4.7292 8.4142 116.0342 57.8471 64.2863 176.1483 81 C 4.0641 9.0223 121.3440 59.7157 35.0563 176.6303 82 S 3.9365 7.8845 115.2972 60.9636 62.4533 175.9080 83 A 4.3688 7.8325 124.6712 53.5149 18.3153 177.7830 84 L 4.4754 7.8078 116.7836 54.9508 41.8932 177.5688 85 L 5.0778 7.7446 117.4531 54.5800 42.4935 176.7146 86 Q 4.3771 7.7506 118.4171 55.4310 29.5776 176.8913 87 D 4.3832 8.5575 119.8156 56.9965 41.1318 176.5708 88 N 4.6569 8.0148 118.1636 52.7975 39.0470 174.8865 89 I 4.1494 8.4646 119.1168 61.1418 38.1513 176.9075 90 A 3.9379 8.3536 124.4569 56.0665 18.0692 179.6382 91 D 4.2959 8.1063 116.2327 57.3370 40.8439 178.7923 92 A 4.0594 7.8617 120.8830 55.1342 18.5577 179.6068 93 V 3.1579 8.2361 117.0170 66.0544 31.5414 178.0884 94 A 3.8283 7.9857 120.4402 55.1767 18.1289 178.8502 95 C 4.2664 8.0275 116.5450 59.6307 38.1645 175.4483 96 A 3.8210 8.0381 122.6841 55.2505 17.5239 179.8180 97 K 3.7400 7.3783 116.0434 59.2856 32.1179 179.3072 98 R 4.0751 7.4333 117.8483 59.1765 29.8796 178.6091 99 V 2.2598 7.4145 118.0964 65.7028 31.5148 178.2791 100 V 3.8108 7.7322 110.6653 63.3848 31.2895 177.9597 101 R 4.2569 7.5157 116.6399 56.7014 30.4456 176.4562 102 D 4.7293 7.4696 119.7560 53.1165 41.9653 175.7746 103 P 4.1858 0.0000 0.0000 66.1112 31.6203 178.1774 104 Q 4.0405 8.2016 116.2138 56.6001 29.7820 177.5523 105 G 4.0632 8.2124 107.4909 46.9561 0.0000 175.4128 106 I 3.8841 7.8060 119.5905 63.1334 38.0712 177.8634 107 R 4.3596 7.4522 116.9431 57.7657 29.9049 177.4565 108 A 3.9264 7.6144 122.0549 54.4489 18.6342 178.3536 109 W 4.6398 8.3430 117.2163 55.7073 29.2097 177.0469 110 V 3.7291 8.7026 124.8616 66.1436 30.7422 177.5190 111 A 4.0982 8.2465 120.0444 54.6343 18.2825 179.2262 112 W 3.9566 8.5386 127.1394 60.5326 30.5466 178.5014 113 R 3.7306 8.1861 116.7162 59.4058 29.7086 178.3660 114 N 4.3718 7.9220 114.9143 55.3014 38.6534 176.7202 115 R 4.0357 7.6974 116.0584 55.7598 31.5331 175.7141 116 C 4.3999 6.9952 113.9952 57.9281 43.2158 174.2652 117 Q 3.2596 6.5241 119.7023 57.3770 28.6216 176.1724 118 N 4.2037 8.7032 120.0978 53.7503 36.3381 173.6844 119 R 4.5364 7.2592 116.8011 53.7638 32.8234 175.0226 120 D 4.5409 8.4142 118.9652 54.5883 41.5989 176.0066 121 V 4.8554 8.3305 117.1209 61.0856 33.3580 177.5581 122 R 4.0966 8.4750 122.0459 59.0398 30.3430 179.1122 123 Q 4.0193 8.1745 115.9263 59.1050 28.7838 177.7581 124 Y 4.2794 7.7368 115.5564 60.0919 38.2600 177.0583 125 V 4.4883 7.7675 110.8750 60.3643 33.6098 175.5081 126 Q 4.1801 7.8685 120.3485 57.2481 28.8290 177.0686 127 G 3.9566 8.8403 109.6334 46.1654 0.0000 174.8281 128 C 4.3835 8.0967 116.7438 57.1605 40.6228 174.2709 129 G 3.8650 8.2437 106.6677 46.6443 0.0000 173.8761 130 V 4.0231 7.8086 118.0583 61.1259 32.3251 175.7640 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 4.25 0.00 1.66 1.89 0.00 1.14 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.09 7.81 2 V 8.08 4.55 2.09 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 0.87 0.00 0.00 1.00 0.00 0.00 3 F 9.49 4.49 0.00 2.95 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 4 E 9.31 4.19 0.00 2.03 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 0.00 2.31 2.41 0.00 5 R 9.01 3.42 0.00 2.00 1.91 0.00 3.31 0.00 0.00 3.45 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 6 C 8.35 4.39 0.00 3.13 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 7 E 8.15 3.89 0.00 2.19 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 2.52 2.37 0.00 8 L 7.99 3.58 0.00 1.40 1.39 0.06 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 7.85 3.93 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 10 R 8.17 3.91 0.00 2.00 1.99 0.00 3.13 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 1.65 1.93 0.00 11 T 7.66 3.84 4.21 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 1.18 0.00 0.00 12 L 8.14 3.82 0.00 1.57 1.57 0.92 0.54 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 13 K 7.77 3.98 0.00 1.89 1.96 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 14 R 7.93 4.12 0.00 2.16 1.94 0.00 3.17 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 15 L 7.89 4.44 0.00 1.45 1.53 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.48 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 17 M 7.88 3.90 0.00 1.18 1.92 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 18 D 7.99 4.57 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 19 G 9.65 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 20 Y 8.20 4.09 0.00 3.41 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 21 R 9.09 3.67 0.00 1.96 1.89 0.00 3.14 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.49 0.00 22 G 8.37 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.61 3.91 1.63 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 0.90 0.39 -0.21 0.00 0.00 24 S 8.33 4.67 0.00 4.10 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 4.21 0.00 2.08 1.80 0.99 1.31 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 26 A 8.12 4.12 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 7.97 4.43 0.00 2.86 2.78 0.00 0.00 7.08 7.60 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 28 W 7.92 4.26 0.00 3.49 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 29 M 8.61 4.20 0.00 2.21 2.41 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.99 0.00 30 C 8.24 3.43 0.00 2.43 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 8.06 4.05 0.00 1.89 1.92 0.33 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.30 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.07 0.00 1.93 1.73 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.64 1.48 7.81 34 W 7.76 4.10 0.00 3.41 3.37 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 35 E 8.21 4.38 0.00 2.14 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 2.57 2.37 0.00 36 S 8.13 4.52 0.00 4.04 4.19 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 37 G 7.96 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 0.00 0.00 0.00 38 Y 7.85 3.70 0.00 3.22 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 39 N 7.57 5.32 0.00 2.88 2.82 0.00 0.00 7.00 7.10 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 40 T 8.93 4.07 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 1.42 0.00 0.00 41 R 7.76 4.79 0.00 1.79 2.08 0.00 3.10 0.00 0.00 3.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 42 A 7.79 4.41 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 8.30 4.95 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 1.11 0.00 0.00 44 N 8.92 4.81 0.00 2.83 2.80 0.00 0.00 6.88 7.41 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 45 Y 8.70 4.81 0.00 2.91 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 8.95 4.58 0.00 2.65 2.63 0.00 0.00 6.75 7.28 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 47 A 8.16 3.53 1.18 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 0.00 0.00 0.00 0.00 0.00 48 G 8.00 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 0.00 0.00 0.00 49 D 7.62 4.80 0.00 2.70 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 50 R 7.53 3.95 0.00 1.96 2.17 0.00 3.18 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 51 S 7.70 5.01 0.00 3.94 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 52 T 9.04 5.17 4.33 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 0.66 0.00 0.00 53 D 8.98 5.39 0.00 2.73 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 54 Y 8.94 4.89 0.00 3.07 2.95 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 55 G 9.10 4.62 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 56 M 8.59 4.33 0.00 1.09 1.84 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.12 0.00 57 F 7.91 4.58 0.00 3.24 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 58 Q 7.84 3.51 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 7.26 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 59 I 8.13 4.39 2.14 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.05 1.14 0.00 0.00 60 N 9.24 5.23 0.00 3.09 3.03 0.00 0.00 7.01 8.18 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 61 S 9.21 4.67 0.00 4.05 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 0.00 62 R 8.74 3.86 0.00 1.65 1.75 0.00 2.53 0.00 0.00 2.81 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.12 0.00 63 Y 7.84 4.29 0.00 2.23 1.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.93 0.00 3.43 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 65 C 8.11 5.63 0.00 3.05 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 66 N 9.02 5.23 0.00 2.85 2.69 0.00 0.00 7.00 9.28 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 67 D 8.46 4.68 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.58 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.51 4.51 0.00 1.79 1.82 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.60 7.81 70 T 7.72 4.70 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 1.24 0.00 0.00 71 P 0.00 4.23 0.00 2.02 1.98 0.00 3.83 0.00 0.00 3.87 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 72 G 8.53 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 0.00 0.00 0.00 73 A 7.73 4.61 1.23 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 74 V 8.26 4.31 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 0.64 0.00 0.00 0.96 0.00 0.00 75 N 8.13 4.97 0.00 2.81 2.69 0.00 0.00 6.90 7.85 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 76 A 8.50 3.94 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 77 C 8.45 4.48 0.00 3.33 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 8.00 4.17 0.00 3.30 3.31 0.00 5.66 0.00 0.00 0.00 0.00 7.03 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 4.75 0.00 1.71 1.51 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.41 4.73 0.00 3.95 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 81 C 9.02 4.06 0.00 2.06 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 82 S 7.88 3.94 0.00 4.05 4.09 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 83 A 7.83 4.37 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 84 L 7.81 4.48 0.00 1.98 1.83 1.05 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.74 5.08 0.00 1.81 1.72 1.12 1.19 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 86 Q 7.75 4.38 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.23 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 87 D 8.56 4.38 0.00 2.64 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 88 N 8.01 4.66 0.00 2.70 2.76 0.00 0.00 6.99 7.96 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 89 I 8.46 4.15 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.98 0.96 0.00 0.00 90 A 8.35 3.94 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 91 D 8.11 4.30 0.00 2.80 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 7.86 4.06 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 93 V 8.24 3.16 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 0.64 0.00 0.00 0.88 0.00 0.00 94 A 7.99 3.83 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 95 C 8.03 4.27 0.00 3.00 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 96 A 8.04 3.82 0.63 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 97 K 7.38 3.74 0.00 1.63 1.42 0.00 1.28 0.00 0.00 0.96 0.00 0.00 2.18 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.89 7.81 98 R 7.43 4.08 0.00 1.99 2.10 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.98 0.00 99 V 7.41 2.26 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 -0.09 0.00 0.00 -0.76 0.00 0.00 100 V 7.73 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 1.21 0.00 0.00 1.43 0.00 0.00 101 R 7.52 4.26 0.00 1.98 2.03 0.00 3.23 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.03 0.00 102 D 7.47 4.73 0.00 3.09 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 4.19 0.00 2.02 2.12 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 104 Q 8.20 4.04 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 5.85 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 105 G 8.21 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 0.00 0.00 0.00 106 I 7.81 3.88 1.10 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 0.10 0.88 -0.58 0.00 0.00 107 R 7.45 4.36 0.00 2.09 2.06 0.00 3.37 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.70 0.00 108 A 7.61 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.34 4.64 0.00 3.67 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 0.00 110 V 8.70 3.73 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 1.10 0.00 0.00 1.01 0.00 0.00 111 A 8.25 4.10 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 3.96 0.00 3.47 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 0.00 113 R 8.19 3.73 0.00 2.01 2.01 0.00 3.39 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 114 N 7.92 4.37 0.00 2.82 2.71 0.00 0.00 6.92 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 0.00 115 R 7.70 4.04 0.00 0.67 0.66 0.00 2.75 0.00 0.00 2.84 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.00 116 C 7.00 4.40 0.00 1.53 2.53 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 0.00 117 Q 6.52 3.26 0.00 0.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 118 N 8.70 4.20 0.00 2.81 2.87 0.00 0.00 6.93 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 0.00 119 R 7.26 4.54 0.00 1.82 1.79 0.00 3.02 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 120 D 8.41 4.54 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 8.33 4.86 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 0.96 0.00 0.00 1.01 0.00 0.00 122 R 8.47 4.10 0.00 1.95 2.03 0.00 3.16 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 123 Q 8.17 4.02 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 124 Y 7.74 4.28 0.00 3.14 3.22 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 0.00 125 V 7.77 4.49 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 1.02 0.00 0.00 1.09 0.00 0.00 126 Q 7.87 4.18 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.19 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 127 G 8.84 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 0.00 128 C 8.10 4.38 0.00 3.12 3.16 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 0.00 0.00 0.00 129 G 8.24 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 0.00 130 V 7.81 4.02 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 0.75 0.00 0.00 0.95 0.00 0.00