NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.5591 8.1076 122.4755 51.9689 20.5042 175.3424 2 S 5.4061 8.6256 114.0021 55.2291 66.1003 171.1068 3 Y 5.0074 9.4131 119.2917 55.9166 42.0442 174.7675 4 K 5.1068 8.6888 119.0525 55.0041 35.0508 175.9642 5 V 4.6298 8.3079 115.0726 60.0230 36.9375 173.6619 6 N 5.2239 8.7099 119.8827 52.4508 40.4455 174.0740 7 I 4.5474 8.6490 124.2629 58.5466 40.1865 173.5707 8 P 4.7469 0.0000 0.0000 62.9082 31.8349 175.9315 9 A 4.4472 8.4389 122.4184 51.1441 21.1927 177.3035 10 G 3.7819 8.1779 107.4939 44.2284 0.0000 171.2176 11 P 4.2542 0.0000 0.0000 62.2235 31.7592 175.6053 12 L 4.4042 7.7482 121.1342 52.8327 43.7205 176.3803 13 W 4.7367 9.0006 123.4920 56.8131 29.8235 176.6017 14 S 4.8126 7.2557 112.1329 56.6438 65.7324 176.1024 15 N 4.6859 8.7927 120.7360 56.7527 38.3064 176.8200 16 A 3.9984 8.0968 121.9507 55.2398 18.4003 179.1145 17 E 3.6463 8.2425 117.4756 59.2268 29.7507 178.7203 18 A 3.3468 7.5504 120.7898 55.0814 17.9205 179.6507 19 Q 4.4540 8.0893 115.5699 58.6452 28.7868 178.2190 20 Q 4.1923 7.1243 118.0271 57.9142 29.4474 177.7938 21 V 3.7468 7.9083 119.7105 65.1511 31.5474 177.9952 22 G 2.3302 7.7758 105.9068 47.1718 0.0000 173.7879 23 P 4.3006 0.0000 0.0000 65.0360 31.4234 178.9382 24 K 3.9343 7.7567 116.9962 59.3280 31.6477 179.3575 25 I 3.6614 7.6849 119.9283 64.1030 36.9227 178.2122 26 A 4.0126 8.1652 121.6330 55.2839 18.3106 179.4102 27 A 3.8868 8.1472 119.0195 55.4334 18.1927 179.7554 28 A 3.9089 7.7373 117.4732 54.4410 18.3394 178.5207 29 H 4.7557 7.4056 112.6694 54.7914 30.0235 174.4223 30 Q 3.4453 7.9972 117.5371 57.1102 26.7221 172.9092 31 G 4.3196 8.2459 103.7458 44.8808 0.0000 171.9746 32 N 5.2428 8.6158 116.0582 51.0727 41.7688 174.3207 33 F 5.1028 8.9679 126.4885 58.6211 39.7116 175.1523 34 T 3.9161 8.1665 115.8663 62.2409 68.9477 175.6150 35 G 3.4138 5.8946 109.5999 44.8887 0.0000 173.6566 36 Q 4.5697 7.4256 119.0357 55.2567 30.1273 175.1853 37 W 5.2981 8.2083 118.4900 56.6841 30.9982 172.9884 38 T 3.6637 8.5848 112.4884 61.3048 70.7724 172.0810 39 T 4.5748 8.2198 123.7626 63.4940 68.8272 175.0044 40 V 4.1827 8.5578 118.7895 61.6248 33.6608 176.2534 41 V 4.2309 7.4659 119.7671 60.6609 34.2933 174.1009 42 E 3.9092 9.0181 128.5746 58.2351 29.6456 176.6605 43 S 4.0420 9.0376 119.2760 59.3408 60.7479 172.0266 44 A 4.6966 8.2773 120.7376 52.9768 22.4470 177.0676 45 M 4.7115 7.6373 113.0353 54.6492 35.9745 174.0042 46 S 5.2517 8.8179 120.1070 57.0424 68.1047 173.2014 47 V 5.0529 9.0331 113.8777 59.8175 36.0683 175.1507 48 V 5.0326 8.6647 115.6503 59.4922 35.5829 174.6482 49 E 4.8211 9.5165 126.5585 55.4957 30.8699 175.4156 50 V 4.9146 8.8776 127.1470 61.0173 35.0428 173.6731 51 E 4.6104 9.2138 129.5544 55.5083 30.8351 175.1970 52 L 4.9191 8.7577 126.7145 53.0533 45.3920 175.1708 53 Q 5.0776 8.3453 118.8843 54.5102 30.0562 176.3501 54 V 3.9379 8.7585 123.6160 65.3352 32.2741 176.0733 55 E 4.6425 8.0934 119.8431 54.1595 31.7972 174.2062 56 N 4.7762 8.9471 124.3193 52.5772 39.4037 174.5117 57 T 4.6448 9.6405 112.6671 58.9018 71.7302 173.2404 58 G 4.1805 7.8360 110.5418 44.9259 0.0000 172.3360 59 I 4.0463 7.5856 111.5188 61.1354 38.3505 174.9744 60 H 4.9899 7.8748 119.0947 54.0603 32.0469 172.5990 61 E 5.3065 8.2543 116.6497 55.4357 33.2455 174.4120 62 F 5.0756 9.4486 122.2465 57.2412 43.1149 172.9797 63 K 4.9413 7.9046 125.2735 55.3274 34.2831 175.1724 64 T 4.2038 8.1293 116.5359 61.7736 71.6059 171.2086 65 D 5.4330 8.5728 123.7820 52.8969 42.9055 176.5017 66 V 4.5651 8.2007 114.1892 59.1144 36.5652 174.8360 67 L 4.4149 8.7088 121.8400 55.3240 41.9456 177.0022 68 A 4.5702 8.7315 122.4334 50.9090 20.8136 177.0218 69 G 3.8505 8.2601 105.1125 43.9388 0.0000 171.1213 70 P 4.2688 0.0000 0.0000 62.0951 31.7742 175.6502 71 L 4.3689 7.9700 122.6230 52.7075 43.3137 176.5866 72 W 4.7295 8.9106 123.5180 57.0796 29.7098 176.6497 73 S 4.8346 7.2742 112.1561 56.6960 65.6383 176.4804 74 N 4.7044 8.6741 120.8879 57.0122 38.6473 176.7589 75 D 4.3804 8.1526 120.0061 57.3727 40.9138 178.2653 76 E 3.8514 8.1379 119.2866 59.0467 29.6662 178.6114 77 A 3.3317 7.8101 121.1922 55.0925 17.9465 179.7199 78 Q 4.3329 8.0698 115.7372 58.6242 28.7770 178.5625 79 K 4.0579 7.3832 120.4045 59.2065 32.5575 178.3905 80 L 4.2333 8.1443 119.1565 56.2686 41.7395 179.0600 81 G 2.5233 7.8061 106.6576 47.1683 0.0000 173.7559 82 P 4.3605 0.0000 0.0000 65.3135 31.4872 178.8030 83 Q 4.0193 7.8583 116.3196 58.8859 28.4789 178.5490 84 I 3.7553 7.9972 121.0548 64.2339 37.0832 178.3304 85 A 4.1450 8.4673 121.9600 55.1156 18.1167 179.5402 86 A 4.1389 8.1386 119.5884 55.1587 18.2378 179.6025 87 S 4.2302 7.8815 110.7720 60.3930 63.1899 175.0420 88 Y 4.6466 7.2865 119.0513 56.7549 38.5111 175.2890 89 G 3.9611 8.7134 107.8422 46.4483 0.0000 172.9965 90 A 4.7571 8.2008 120.2620 50.5574 23.0183 175.8741 91 E 4.7534 8.6831 116.6946 54.8341 32.4902 175.6244 92 F 5.1280 8.7238 124.9682 57.9353 39.9779 175.6354 93 T 3.9101 8.0471 115.8356 62.1262 69.0216 175.6796 94 G 3.3786 5.7293 109.3426 44.8130 0.0000 173.5872 95 Q 4.6189 7.3297 118.9138 55.0705 30.2787 175.0464 96 W 5.2651 8.2551 118.1618 56.4239 30.8793 173.2683 97 R 3.8100 8.6977 114.8972 55.4643 32.4671 173.7982 98 T 4.7090 8.1982 118.0731 63.2168 68.8250 174.7222 99 I 4.1622 8.5426 119.7202 61.6430 39.4496 176.1476 100 V 4.1427 7.5091 121.8142 60.6333 32.9728 173.3462 101 E 3.8982 8.9437 127.7186 58.0176 29.5629 177.1118 102 G 4.3028 9.0750 112.6043 46.3074 0.0000 173.2262 103 V 4.3479 8.2913 117.8201 64.0664 33.8348 175.5009 104 M 4.8431 7.7188 118.3547 54.2419 35.8313 173.3255 105 S 5.2920 8.7577 119.4996 56.9251 67.8479 173.2272 106 V 5.0551 9.1790 114.1734 59.6445 35.9602 174.8549 107 I 5.1113 8.3218 115.8761 59.2146 41.1770 174.0137 108 Q 4.9745 9.2445 126.1473 55.3408 30.3211 174.6317 109 I 4.9373 8.7154 120.0498 58.9236 41.4445 174.4353 110 K 4.6833 9.0177 124.2771 54.9447 34.7009 174.6967 111 Y 4.9694 9.3202 126.4168 57.8819 39.7007 174.8449 112 T 5.2962 8.7669 119.0172 61.7145 71.7526 173.9656 113 F 4.6152 8.7089 120.9498 57.2989 38.1730 174.1774 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 A 8.11 4.56 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 2 S 8.63 5.41 0.00 4.07 3.85 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 3 Y 9.41 5.01 0.00 3.04 3.02 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 0.00 4 K 8.69 5.11 0.00 1.64 1.72 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.56 7.81 5 V 8.31 4.63 2.11 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 0.89 0.00 0.00 0.89 0.00 0.00 6 N 8.71 5.22 0.00 2.66 2.75 0.00 0.00 6.68 7.32 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 7 I 8.65 4.55 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.80 0.74 0.00 0.00 8 P 0.00 4.75 0.00 1.91 1.97 0.00 3.57 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 9 A 8.44 4.45 1.08 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 0.00 0.00 10 G 8.18 3.78 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 0.00 0.00 0.00 11 P 0.00 4.25 0.00 1.11 1.74 0.00 3.70 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 2.07 2.12 0.00 12 L 7.75 4.40 0.00 1.27 0.88 0.44 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 W 9.00 4.74 0.00 3.29 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 14 S 7.26 4.81 0.00 4.10 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 15 N 8.79 4.69 0.00 3.16 3.05 0.00 0.00 6.77 8.38 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 16 A 8.10 4.00 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 17 E 8.24 3.65 0.00 2.06 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 0.00 2.12 2.25 0.00 18 A 7.55 3.35 -0.28 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 0.00 0.00 19 Q 8.09 4.45 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.75 2.64 0.00 20 Q 7.12 4.19 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 21 V 7.91 3.75 1.77 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 0.82 0.00 0.00 0.86 0.00 0.00 22 G 7.78 2.33 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 23 P 0.00 4.30 0.00 2.15 2.16 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 24 K 7.76 3.93 0.00 1.79 1.77 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.39 7.81 25 I 7.68 3.66 1.84 0.00 0.00 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 1.49 1.02 0.88 0.00 0.00 26 A 8.17 4.01 1.46 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 0.00 0.00 27 A 8.15 3.89 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 28 A 7.74 3.91 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 29 H 7.41 4.76 0.00 3.14 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.00 3.45 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 31 G 8.25 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 0.00 0.00 0.00 0.00 32 N 8.62 5.24 0.00 2.64 2.71 0.00 0.00 7.10 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 33 F 8.97 5.10 0.00 2.99 2.99 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 0.00 34 T 8.17 3.92 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 1.15 0.00 0.00 35 G 5.89 3.41 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 0.00 36 Q 7.43 4.57 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.54 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 37 W 8.21 5.30 0.00 3.71 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 38 T 8.58 3.66 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 1.16 0.00 0.00 39 T 8.22 4.57 4.18 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 1.21 0.00 0.00 40 V 8.56 4.18 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 0.62 0.00 0.00 0.97 0.00 0.00 41 V 7.47 4.23 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 1.06 0.00 0.00 0.92 0.00 0.00 42 E 9.02 3.91 0.00 1.95 1.91 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 2.34 2.49 0.00 43 S 9.04 4.04 0.00 4.20 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 44 A 8.28 4.70 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 45 M 7.64 4.71 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 46 S 8.82 5.25 0.00 3.88 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 47 V 9.03 5.05 2.12 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 0.72 0.00 0.00 0.98 0.00 0.00 48 V 8.66 5.03 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 0.47 0.00 0.00 0.90 0.00 0.00 49 E 9.52 4.82 0.00 2.19 1.96 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 2.31 2.12 0.00 50 V 8.88 4.91 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 0.91 0.00 0.00 1.00 0.00 0.00 51 E 9.21 4.61 0.00 2.07 1.77 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 2.25 2.27 0.00 52 L 8.76 4.92 0.00 0.37 1.27 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.35 5.08 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.06 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 54 V 8.76 3.94 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 0.71 0.00 0.00 1.02 0.00 0.00 55 E 8.09 4.64 0.00 1.94 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 2.21 2.39 0.00 56 N 8.95 4.78 0.00 2.89 3.08 0.00 0.00 6.94 7.54 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 57 T 9.64 4.64 4.27 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 1.25 0.00 0.00 58 G 7.84 4.18 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 0.00 59 I 7.59 4.05 1.71 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.01 0.84 0.00 0.00 60 H 7.87 4.99 0.00 1.53 2.59 0.00 5.77 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.25 5.31 0.00 2.06 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 2.17 2.36 0.00 62 F 9.45 5.08 0.00 3.49 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 63 K 7.90 4.94 0.00 1.46 1.53 0.00 1.77 0.00 0.00 1.55 0.00 0.00 2.61 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.35 7.81 64 T 8.13 4.20 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 1.39 0.00 0.00 65 D 8.57 5.43 0.00 2.57 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 66 V 8.20 4.57 1.51 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 0.61 0.00 0.00 -0.04 0.00 0.00 67 L 8.71 4.41 0.00 1.67 1.67 0.97 0.74 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 68 A 8.73 4.57 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.26 3.85 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 0.00 0.00 0.00 70 P 0.00 4.27 0.00 1.12 1.84 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 71 L 7.97 4.37 0.00 1.26 0.90 0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.91 4.73 0.00 3.29 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 73 S 7.27 4.83 0.00 4.11 4.05 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 74 N 8.67 4.70 0.00 3.17 3.05 0.00 0.00 6.90 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.15 4.38 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.85 0.00 2.07 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 2.16 2.27 0.00 77 A 7.81 3.33 -0.31 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 78 Q 8.07 4.33 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.93 0.00 0.00 0.00 0.00 0.00 2.74 2.61 0.00 79 K 7.38 4.06 0.00 1.75 1.92 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 80 L 8.14 4.23 0.00 1.45 1.51 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.81 2.52 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 0.00 82 P 0.00 4.36 0.00 2.16 2.17 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 83 Q 7.86 4.02 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 84 I 8.00 3.76 1.72 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.00 0.00 0.00 85 A 8.47 4.14 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 86 A 8.14 4.14 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 87 S 7.88 4.23 0.00 3.98 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 0.00 88 Y 7.29 4.65 0.00 3.01 3.02 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 0.00 89 G 8.71 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 90 A 8.20 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 8.68 4.75 0.00 1.95 1.87 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 2.27 2.26 0.00 92 F 8.72 5.13 0.00 3.01 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 93 T 8.05 3.91 4.07 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 1.18 0.00 0.00 94 G 5.73 3.38 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 0.00 95 Q 7.33 4.62 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 96 W 8.26 5.27 0.00 3.68 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 97 R 8.70 3.81 0.00 1.60 1.72 0.00 2.66 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 98 T 8.20 4.71 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 1.26 0.00 0.00 99 I 8.54 4.16 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.90 0.00 0.00 100 V 7.51 4.14 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 1.09 0.00 0.00 0.94 0.00 0.00 101 E 8.94 3.90 0.00 1.97 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 2.36 2.50 0.00 102 G 9.08 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 0.00 0.00 0.00 0.00 103 V 8.29 4.35 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 0.80 0.00 0.00 0.99 0.00 0.00 104 M 7.72 4.84 0.00 2.12 1.81 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 105 S 8.76 5.29 0.00 3.94 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 0.00 106 V 9.18 5.06 2.20 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 0.79 0.00 0.00 0.99 0.00 0.00 107 I 8.32 5.11 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.71 0.76 0.00 0.00 108 Q 9.24 4.97 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 109 I 8.72 4.94 1.59 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.23 0.76 0.00 0.00 110 K 9.02 4.68 0.00 1.71 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.36 1.40 7.81 111 Y 9.32 4.97 0.00 3.33 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 0.00 112 T 8.77 5.30 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 113 F 8.71 4.62 0.00 3.07 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