NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2890 8.1627 120.3228 61.0210 33.6301 177.6735 2 H 3.6275 6.3086 121.2301 57.0691 28.0224 171.7670 3 L 4.7300 8.9760 121.5761 52.6664 44.9098 177.6926 4 T 3.9843 8.4813 120.9324 63.0434 70.4222 173.5037 5 P 4.2131 0.0000 0.0000 65.7710 31.3181 178.8217 6 E 4.0936 8.0803 115.3508 58.6089 29.5962 178.9612 7 E 3.8799 7.8410 119.7886 59.2749 29.7637 178.5535 8 K 3.7488 8.0718 118.7333 59.8657 32.3148 179.3474 9 S 4.0633 8.1521 112.6163 60.9267 61.6915 176.1056 10 A 3.9855 7.6244 123.9741 54.9019 18.1673 179.7323 11 V 3.4199 7.8038 116.7752 66.3879 31.6272 178.1842 12 T 3.9383 8.0386 115.2974 66.8751 68.1544 176.3756 13 A 4.0687 7.6725 120.5207 55.1292 18.6135 179.0587 14 L 3.9819 7.8215 117.7670 57.6594 42.1261 178.8329 15 W 4.3430 8.7104 128.7391 60.3807 30.5015 177.9482 16 G 3.9432 8.1956 104.7778 46.9647 0.0000 173.9510 17 K 4.4710 7.6888 117.8531 55.9246 32.8097 176.4776 18 V 3.6319 7.5805 120.8521 62.3313 31.9616 175.8339 19 N 4.4789 8.3959 125.4746 52.7289 38.9376 175.6010 20 V 3.5370 8.0892 128.6523 65.7472 31.5408 177.4168 21 D 4.3390 8.0630 118.5801 57.1024 40.7763 178.3475 22 E 3.9515 8.3418 119.0848 59.4997 29.5618 179.5372 23 V 3.5127 7.6382 118.3724 65.7178 31.5017 178.3091 24 G 3.6480 7.8955 105.4650 47.8512 0.0000 176.0231 25 G 3.5957 7.6679 107.3083 47.2401 0.0000 175.4880 26 E 3.8966 8.2675 121.4551 58.9258 29.6736 178.8228 27 A 3.9462 8.3247 121.3396 55.0514 18.3464 179.4433 28 L 3.9894 7.9770 119.1207 58.0193 42.1441 179.3592 29 G 3.5862 8.1412 105.7188 48.0297 0.0000 175.9488 30 R 3.9611 8.3985 121.2918 58.4535 29.9769 178.9601 31 L 4.1187 7.9028 120.3043 58.4258 42.1396 179.2033 32 L 4.3769 7.6735 120.2412 56.8761 41.2354 179.7784 33 V 3.5848 7.5467 117.7188 65.9469 31.7099 178.0733 34 V 3.6803 8.0510 116.8912 64.3197 32.5068 175.3237 35 Y 4.7222 8.1811 117.0957 54.5918 38.1945 174.0725 36 P 4.8482 0.0000 0.0000 64.2336 31.7260 177.5068 37 A 4.0515 8.2203 120.1324 55.3622 18.3099 179.1539 38 T 4.3350 8.1693 107.1481 64.0705 68.8074 176.1676 39 Q 4.4352 8.5241 122.0728 58.3327 28.4930 178.1682 40 R 4.0678 7.6426 116.5263 58.6518 29.4679 178.1695 41 F 4.3221 7.5391 117.1744 58.3503 39.2503 176.0863 42 F 4.5742 7.5987 116.9222 56.8312 39.4879 177.1519 43 E 4.1152 8.4222 123.8935 59.7769 29.2645 179.0375 44 S 4.5566 8.0894 109.6527 59.3875 63.0729 174.5576 45 F 4.6912 8.5553 120.3924 57.8748 40.0250 175.8763 46 G 4.0163 7.5677 105.5454 44.1744 0.0000 173.9725 47 D 4.6278 8.6862 124.7616 53.9329 41.4284 176.2982 48 L 4.9546 8.2493 128.4854 54.5261 43.0110 178.1982 49 S 4.3305 8.2500 115.8774 60.7541 63.5462 174.6221 50 T 4.7284 7.4220 109.8425 58.1236 72.9569 172.5011 51 P 4.2028 0.0000 0.0000 66.2281 31.4493 178.4674 52 D 4.3468 8.1540 116.4769 57.4044 40.6214 178.6540 53 A 3.9712 7.8851 120.8054 55.1571 18.1631 179.8430 54 V 3.5709 7.7929 115.7025 66.6228 31.7793 178.0697 55 M 4.2891 8.3499 117.1195 57.6294 31.8485 178.2681 56 G 3.9124 7.8022 104.4129 44.7346 0.0000 173.4488 57 N 4.3451 7.5494 121.3259 53.0772 39.3745 173.7689 58 P 4.3394 0.0000 0.0000 65.1513 31.4539 178.3550 59 K 3.7711 9.6875 119.3652 58.6598 31.9191 179.2136 60 V 3.7031 7.8339 118.1122 65.9923 31.6065 177.9375 61 K 3.8757 8.0891 117.9143 59.5694 32.0461 179.2343 62 A 3.9924 7.8010 120.4212 55.3786 18.2244 179.2067 63 H 4.4403 8.3729 117.0321 59.1995 29.9096 177.4514 64 G 3.7470 8.3966 108.0288 47.9042 0.0000 175.3326 65 K 3.9270 7.9888 122.1542 59.0984 32.2321 178.7387 66 K 4.0652 8.0677 119.5783 59.3711 32.1790 178.9022 67 V 3.6787 8.0560 118.6791 66.2413 31.5293 178.1443 68 L 4.3943 8.3902 118.8903 57.5411 40.9392 179.6013 69 G 3.8366 8.7608 106.2212 48.0313 0.0000 175.6159 70 A 4.1828 8.2837 123.2874 54.7570 18.3075 179.5106 71 F 4.0598 8.5323 119.2664 61.4864 39.3361 177.4812 72 S 4.0351 8.6285 114.9450 61.7402 62.4477 176.3744 73 D 4.4834 7.7639 120.0744 57.4062 40.9340 178.8696 74 G 3.5734 7.7989 106.2582 47.6286 0.0000 175.8065 75 L 3.8338 7.2203 119.9747 57.1098 41.6508 178.6861 76 A 4.2354 7.4576 118.6815 53.1351 19.1533 177.0661 77 H 4.8704 7.7214 115.0805 54.8803 29.6907 175.8222 78 L 4.1800 8.1241 120.5593 57.4465 41.6556 178.2694 79 D 4.5764 7.8626 116.2580 55.1971 42.0700 175.9574 80 N 5.0088 8.3611 118.6993 51.1180 39.4612 174.9731 81 L 3.9624 7.9989 122.6040 58.0000 42.2342 179.1365 82 K 3.9803 8.2588 117.9739 59.9045 31.7968 179.3287 83 G 3.6872 8.1108 103.6008 48.1325 0.0000 175.4097 84 T 3.7936 7.7545 117.1101 65.2265 68.5137 175.2169 85 F 4.8688 7.8841 117.0275 56.9645 40.1400 176.9486 86 A 4.0760 7.9152 124.0450 55.5511 18.0150 180.3456 87 T 3.8354 7.8553 107.6502 65.0845 68.8859 176.5815 88 L 4.0479 7.9916 121.6652 57.2729 41.6672 179.1510 89 S 4.2787 8.4501 113.3418 61.5825 62.4417 175.7811 90 E 3.8467 8.3160 121.1854 59.4820 29.2663 179.3552 91 L 3.8748 8.1177 120.0274 58.6723 42.2060 178.8855 92 H 4.2391 8.6381 115.9697 58.4041 28.2894 176.9607 93 C 3.6563 7.7387 120.9127 61.9484 31.2395 175.2938 94 D 4.3810 8.3348 120.3157 56.5022 40.5725 177.6318 95 K 4.2278 7.7351 116.8717 57.5722 33.2518 177.3693 96 L 4.2084 7.6677 116.6937 54.5413 42.5363 176.0481 97 H 4.0324 7.1624 113.3323 56.6473 26.4494 175.3937 98 V 3.7913 7.8659 118.5980 60.9141 32.3447 174.6682 99 D 4.2127 8.6163 127.3589 53.8174 41.3774 175.0159 100 P 2.9700 0.0000 0.0000 64.4491 31.3037 177.8761 101 E 3.7789 8.0658 118.3918 59.0535 29.4123 178.3080 102 N 4.4288 8.0003 116.3743 55.6295 38.5114 177.2197 103 F 4.5150 7.6723 119.8690 60.6835 38.8598 177.7678 104 R 3.9870 7.6895 116.5483 59.0492 29.8062 179.0142 105 L 3.8021 7.7483 118.3527 57.7713 41.5786 179.2013 106 L 4.1264 8.0296 120.3088 57.9343 41.9146 179.2387 107 G 3.6626 8.0778 105.8332 48.0467 0.0000 175.5475 108 N 4.4485 8.4397 119.3706 55.7305 38.4814 177.8519 109 V 3.6316 8.0938 119.9638 65.7616 31.6761 177.6477 110 L 3.8471 8.2239 120.5352 58.3059 41.8667 179.1476 111 V 3.5586 7.9974 118.0507 66.3306 31.5028 177.7653 112 C 4.1176 8.2569 116.3981 62.6149 27.8869 176.4225 113 V 3.5074 7.8792 120.0462 65.8914 31.1402 177.9785 114 L 3.8646 7.7041 118.4935 57.7326 41.3478 179.5084 115 A 3.5641 7.1887 120.5052 55.1893 18.0756 179.0329 116 H 3.9221 7.8655 115.6453 59.8512 29.9509 176.8209 117 H 4.1335 8.0998 116.6738 57.3921 28.8974 176.6123 118 F 4.8471 8.1966 117.6434 54.6859 40.3312 177.8766 119 G 3.8991 8.9283 108.0512 46.0525 0.0000 176.5665 120 K 3.9329 9.1988 122.6343 59.2713 31.8515 177.6367 121 E 4.1390 8.2626 117.0615 58.3509 30.0296 177.4302 122 F 4.5777 8.0593 124.1333 56.8837 37.8700 175.2713 123 T 4.1543 7.2993 115.3059 60.6119 71.1960 173.4219 124 P 4.1718 0.0000 0.0000 65.4839 31.3813 177.1368 125 P 4.1894 0.0000 0.0000 65.5541 31.2390 178.8508 126 V 3.5176 7.3709 116.5095 65.8078 31.3122 177.7767 127 Q 3.5040 7.8792 119.3877 59.0686 28.9702 178.2427 128 A 3.9820 8.0695 121.5664 55.1329 18.2701 179.4801 129 A 3.9126 7.9399 119.2082 55.5460 18.3415 179.5417 130 Y 3.9610 8.0827 115.3093 61.0309 37.9211 178.4494 131 Q 4.1200 8.5434 119.5801 58.9876 28.8198 178.9956 132 K 3.9684 7.9981 119.1650 59.4487 32.0197 179.5787 133 V 3.4916 7.5069 118.2929 66.0577 31.4958 178.3303 134 V 3.7805 8.3302 118.0584 65.8320 31.2653 177.9193 135 A 4.1254 8.3630 120.9503 55.0891 18.2289 179.8538 136 G 3.4954 8.2564 104.3815 47.7727 0.0000 176.2084 137 V 3.3078 7.9766 120.4332 65.5095 31.3224 177.7431 138 A 3.8984 7.6614 119.2036 55.5297 18.5509 178.9829 139 N 4.4094 8.3883 114.6637 56.3854 38.7210 177.5767 140 A 4.0031 8.1180 122.0978 55.2520 18.3559 179.7208 141 L 3.8892 8.0663 116.0061 57.0945 41.8926 178.6586 142 A 4.5410 7.7806 119.0245 52.9321 19.1047 178.2643 143 H 4.2388 8.0476 116.3609 58.7355 29.9628 175.7698 144 K 4.3902 7.7598 116.3525 56.0762 32.4402 176.3449 145 Y 3.8864 7.9432 117.9517 58.5313 38.2975 176.1440 146 H 4.5096 8.1965 118.5583 55.9004 28.7305 173.0471 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 M 8.16 4.29 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 2 H 6.31 3.63 0.00 3.18 3.31 0.00 5.69 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 3 L 8.98 4.73 0.00 1.56 1.47 0.80 0.73 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 4 T 8.48 3.98 4.17 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 1.21 0.00 0.00 5 P 0.00 4.21 0.00 2.13 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 6 E 8.08 4.09 0.00 2.13 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 0.00 2.33 2.32 0.00 7 E 7.84 3.88 0.00 2.22 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 2.33 2.33 0.00 8 K 8.07 3.75 0.00 1.88 1.82 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.57 7.81 9 S 8.15 4.06 0.00 3.89 3.97 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 10 A 7.62 3.99 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 11 V 7.80 3.42 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 0.65 0.00 0.00 0.44 0.00 0.00 12 T 8.04 3.94 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 1.26 0.00 0.00 13 A 7.67 4.07 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 14 L 7.82 3.98 0.00 1.83 1.87 0.16 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.71 4.34 0.00 3.84 3.35 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 16 G 8.20 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.69 4.47 0.00 1.99 2.02 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.37 7.81 18 V 7.58 3.63 1.28 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 0.21 0.00 0.00 0.72 0.00 0.00 19 N 8.40 4.48 0.00 2.71 2.59 0.00 0.00 6.85 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 20 V 8.09 3.54 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 1.05 0.00 0.00 0.84 0.00 0.00 21 D 8.06 4.34 0.00 2.89 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 22 E 8.34 3.95 0.00 1.94 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 2.28 2.26 0.00 23 V 7.64 3.51 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 0.91 0.00 0.00 0.57 0.00 0.00 24 G 7.90 3.65 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 0.00 0.00 0.00 25 G 7.67 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 26 E 8.27 3.90 0.00 2.22 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 2.23 2.26 0.00 27 A 8.32 3.95 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 28 L 7.98 3.99 0.00 1.75 1.62 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.14 3.59 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 0.00 0.00 0.00 30 R 8.40 3.96 0.00 1.88 1.98 0.00 3.09 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 31 L 7.90 4.12 0.00 1.96 1.94 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.67 4.38 0.00 1.67 1.73 0.67 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.55 3.58 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 0.74 0.00 0.00 0.91 0.00 0.00 34 V 8.05 3.68 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 0.07 0.00 0.00 0.84 0.00 0.00 35 Y 8.18 4.72 0.00 3.17 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 36 P 0.00 4.85 0.00 2.19 2.13 0.00 3.95 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 A 8.22 4.05 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 38 T 8.17 4.33 4.57 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 1.40 0.00 0.00 39 Q 8.52 4.44 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 40 R 7.64 4.07 0.00 1.68 1.86 0.00 2.47 0.00 0.00 2.92 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.00 41 F 7.54 4.32 0.00 2.35 2.55 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 42 F 7.60 4.57 0.00 2.85 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 0.00 0.00 0.00 43 E 8.42 4.12 0.00 2.01 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 2.42 2.34 0.00 44 S 8.09 4.56 0.00 4.09 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 45 F 8.56 4.69 0.00 3.17 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 46 G 7.57 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 0.00 0.00 0.00 0.00 47 D 8.69 4.63 0.00 2.65 2.62 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 48 L 8.25 4.95 0.00 1.66 1.63 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.25 4.33 0.00 4.02 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 50 T 7.42 4.73 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.16 2.14 0.00 3.60 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 2.10 2.18 0.00 52 D 8.15 4.35 0.00 2.67 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 53 A 7.89 3.97 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 54 V 7.79 3.57 2.24 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 0.91 0.00 0.00 0.96 0.00 0.00 55 M 8.35 4.29 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 56 G 7.80 3.91 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 57 N 7.55 4.35 0.00 2.85 2.84 0.00 0.00 6.77 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 58 P 0.00 4.34 0.00 2.24 2.25 0.00 3.71 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 2.01 2.02 0.00 59 K 9.69 3.77 0.00 1.54 0.74 0.00 1.50 0.00 0.00 1.33 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.25 7.81 60 V 7.83 3.70 2.27 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 1.15 0.00 0.00 1.05 0.00 0.00 61 K 8.09 3.88 0.00 1.81 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.57 7.81 62 A 7.80 3.99 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 63 H 8.37 4.44 0.00 3.54 3.62 0.00 5.81 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 64 G 8.40 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 0.00 0.00 0.00 65 K 7.99 3.93 0.00 2.00 2.08 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 66 K 8.07 4.07 0.00 2.12 1.93 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.53 7.81 67 V 8.06 3.68 2.27 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 1.03 0.00 0.00 0.95 0.00 0.00 68 L 8.39 4.39 0.00 1.86 1.90 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.76 3.84 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 0.00 70 A 8.28 4.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.06 0.00 3.35 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 72 S 8.63 4.04 0.00 4.37 4.12 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 73 D 7.76 4.48 0.00 2.79 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 74 G 7.80 3.57 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 0.00 75 L 7.22 3.83 0.00 1.48 1.48 -0.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.46 4.24 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 77 H 7.72 4.87 0.00 3.06 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 4.18 0.00 1.55 1.67 0.79 0.98 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 79 D 7.86 4.58 0.00 2.63 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 80 N 8.36 5.01 0.00 2.66 2.60 0.00 0.00 7.05 6.54 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 81 L 8.00 3.96 0.00 1.76 1.88 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.26 3.98 0.00 1.81 1.88 0.00 1.48 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.27 1.46 7.81 83 G 8.11 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 84 T 7.75 3.79 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 0.40 0.00 0.00 85 F 7.88 4.87 0.00 3.16 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 86 A 7.92 4.08 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 T 7.86 3.84 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 1.22 0.00 0.00 88 L 7.99 4.05 0.00 2.06 1.82 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.45 4.28 0.00 4.07 4.15 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 90 E 8.32 3.85 0.00 2.22 1.98 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 2.33 2.50 0.00 91 L 8.12 3.87 0.00 1.82 1.89 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.64 4.24 0.00 3.49 3.70 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.74 3.66 0.00 1.23 2.41 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 94 D 8.33 4.38 0.00 2.64 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 95 K 7.74 4.23 0.00 1.79 1.79 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 96 L 7.67 4.21 0.00 1.69 1.61 0.68 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.16 4.03 0.00 3.46 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.87 3.79 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 0.31 0.00 0.00 0.30 0.00 0.00 99 D 8.62 4.21 0.00 2.70 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 0.00 100 P 0.00 2.97 0.00 1.75 1.47 0.00 3.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.58 0.00 101 E 8.07 3.78 0.00 2.08 1.81 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 2.23 2.30 0.00 102 N 8.00 4.43 0.00 2.70 2.80 0.00 0.00 6.86 7.97 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 0.00 103 F 7.67 4.52 0.00 3.00 2.88 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 0.00 104 R 7.69 3.99 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 105 L 7.75 3.80 0.00 1.62 1.18 0.51 0.03 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 0.00 106 L 8.03 4.13 0.00 1.86 1.87 0.95 1.12 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 0.00 107 G 8.08 3.66 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 0.00 0.00 0.00 108 N 8.44 4.45 0.00 2.81 2.95 0.00 0.00 6.71 7.20 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 0.00 109 V 8.09 3.63 2.27 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 1.02 0.00 0.00 1.20 0.00 0.00 110 L 8.22 3.85 0.00 1.69 1.78 0.79 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.00 3.56 2.30 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 1.20 0.00 0.00 1.17 0.00 0.00 112 C 8.26 4.12 0.00 3.19 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 0.00 113 V 7.88 3.51 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 0.88 0.00 0.00 0.89 0.00 0.00 114 L 7.70 3.86 0.00 1.19 1.24 0.54 0.76 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 0.00 115 A 7.19 3.56 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 0.00 116 H 7.87 3.92 0.00 3.22 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.10 4.13 0.00 2.82 2.44 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.20 4.85 0.00 3.26 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 0.00 119 G 8.93 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 0.00 120 K 9.20 3.93 0.00 1.81 1.95 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.45 7.81 121 E 8.26 4.14 0.00 2.34 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 0.00 2.38 2.31 0.00 122 F 8.06 4.58 0.00 3.02 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 0.00 123 T 7.30 4.15 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 1.27 0.00 0.00 124 P 0.00 4.17 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.19 0.00 2.11 2.06 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 126 V 7.37 3.52 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 0.93 0.00 0.00 0.88 0.00 0.00 127 Q 7.88 3.50 0.00 1.81 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 128 A 8.07 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 0.00 129 A 7.94 3.91 1.28 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 0.00 130 Y 8.08 3.96 0.00 3.30 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 0.00 131 Q 8.54 4.12 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 8.00 3.97 0.00 1.97 1.84 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.59 7.81 133 V 7.51 3.49 2.24 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 0.87 0.00 0.00 0.79 0.00 0.00 134 V 8.33 3.78 2.44 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 1.03 0.00 0.00 1.26 0.00 0.00 135 A 8.36 4.13 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 0.00 136 G 8.26 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 0.00 0.00 0.00 137 V 7.98 3.31 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 0.37 0.00 0.00 0.60 0.00 0.00 138 A 7.66 3.90 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 0.00 139 N 8.39 4.41 0.00 2.89 2.88 0.00 0.00 7.00 8.59 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 0.00 140 A 8.12 4.00 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 0.00 141 L 8.07 3.89 0.00 1.20 0.84 0.03 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.78 4.54 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 0.00 143 H 8.05 4.24 0.00 3.38 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.76 4.39 0.00 1.84 1.83 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.73 7.81 145 Y 7.94 3.89 0.00 3.11 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 0.00 146 H 8.20 4.51 0.00 3.17 3.22 0.00 5.75 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