NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3866 8.3044 120.3453 55.5464 33.4182 174.1743 2 H 4.6890 8.6749 124.9530 53.8103 32.1996 171.4735 3 L 4.9685 7.5631 124.8942 52.0566 46.7003 176.4926 4 T 4.1320 8.6419 111.4886 61.0578 70.7564 173.7244 5 P 4.1802 0.0000 0.0000 65.9104 31.1652 178.7604 6 E 3.9522 8.0946 116.7302 59.4237 29.4683 179.1601 7 E 3.8680 8.0669 118.3885 59.3318 29.6385 179.2156 8 K 3.7919 8.0792 119.7205 59.4932 32.1190 178.5361 9 S 4.0488 8.1050 113.0800 61.4803 62.3399 176.0396 10 A 3.9886 7.7515 123.2446 55.0552 18.0572 179.8832 11 V 3.4009 7.8141 116.9368 66.3640 31.5056 178.4841 12 T 3.9877 7.9998 109.4080 64.6235 68.3718 176.2867 13 A 4.0079 8.0728 123.0024 55.0387 18.7676 179.1594 14 L 3.9248 7.9562 118.3444 57.8555 42.1453 178.8700 15 W 4.4941 8.5818 128.5240 59.9864 30.4345 178.0680 16 G 3.7568 8.0066 104.9233 46.7092 0.0000 174.1335 17 K 4.3998 7.7164 118.3413 56.1926 32.9759 176.5576 18 V 3.6846 7.3421 120.3489 62.0358 31.8977 175.7695 19 N 4.4761 8.3486 125.6998 52.5274 38.7678 175.2864 20 V 3.4515 8.1141 128.4933 65.7520 31.6863 177.4221 21 D 4.2780 7.9980 118.5758 57.3035 40.6253 178.2799 22 E 3.8311 8.0932 119.2370 59.3232 29.7127 178.8497 23 V 3.5767 7.9547 118.6798 65.6368 31.5177 178.2329 24 G 3.6827 8.2774 106.0228 47.8615 0.0000 176.0175 25 G 3.6208 8.0048 108.2139 47.0886 0.0000 175.5770 26 E 3.8434 7.9637 121.2530 59.0247 29.7201 178.7408 27 A 3.9000 8.0536 120.8851 55.1820 18.5924 179.3792 28 L 3.9975 7.9370 119.0519 58.1641 42.2246 179.4218 29 G 3.5457 7.9976 105.6179 47.9251 0.0000 176.0105 30 R 3.9279 8.2105 120.7354 58.4602 30.0104 178.7887 31 L 4.0129 7.9226 120.3932 58.3983 41.9974 179.2243 32 L 4.0394 7.8412 118.2985 57.1810 41.2307 179.5315 33 V 3.6229 7.1744 117.2714 65.4846 31.7159 177.8341 34 V 3.5763 7.7400 117.2353 64.1006 32.7921 175.6337 35 Y 3.9561 7.1838 116.1140 54.4733 37.8205 174.2253 36 P 4.5114 0.0000 0.0000 64.0623 31.9920 177.6508 37 W 4.3901 8.0372 115.3291 58.9721 27.6879 177.6524 38 T 4.2476 7.7704 110.7115 63.7339 68.2482 176.1515 39 Q 4.2863 8.1905 121.7655 58.3255 28.4638 178.1559 40 R 3.7830 7.5510 116.2171 58.2066 29.3329 177.6837 41 F 4.4771 7.0749 116.1905 57.1433 39.6208 175.6132 42 F 4.6670 7.9287 118.7287 56.8760 39.7703 177.1580 43 E 4.0327 8.4845 122.3280 59.1207 29.4263 178.2639 44 S 4.5968 8.1097 110.9655 58.8167 63.5412 174.4743 45 F 4.4431 8.4419 119.6315 57.8680 39.1446 175.0463 46 G 3.8249 8.0948 106.1141 43.9061 0.0000 172.2231 47 D 4.5759 8.4325 118.2562 54.2644 41.6646 176.7505 48 L 4.8972 8.2521 126.1949 54.4448 42.9603 178.0975 49 S 4.3107 9.4201 117.4732 60.9051 63.2557 174.9969 50 T 4.7200 7.4244 109.5527 58.1280 73.0695 172.6110 51 P 4.2301 0.0000 0.0000 65.7839 30.9553 178.6752 52 D 4.2975 8.0377 117.1984 56.4649 39.3451 178.4396 53 A 3.9629 7.6367 122.3786 54.5097 18.2034 179.5321 54 V 3.5269 7.8207 115.8256 66.7571 31.6519 177.9885 55 M 4.3029 8.0855 116.8366 57.4050 31.8614 177.9539 56 G 3.9989 7.3752 102.8806 43.2077 0.0000 173.2386 57 N 4.4473 7.4201 121.2104 52.9086 39.6149 174.1525 58 P 4.3097 0.0000 0.0000 65.3483 31.4255 178.9033 59 K 3.7993 8.2698 117.6414 58.8855 31.7220 179.5601 60 V 3.7272 7.9079 118.2794 65.9075 31.6119 177.9909 61 K 3.8974 8.0035 117.9603 59.4271 32.0132 179.2064 62 A 3.9576 7.9318 120.8940 55.4960 18.2738 179.1394 63 H 4.3556 8.6212 117.2092 59.3430 29.9190 177.5315 64 G 3.6422 8.4621 107.9318 47.7597 0.0000 175.4881 65 K 3.9800 8.0108 121.8679 59.0621 32.2007 179.0142 66 K 3.9975 7.9987 118.5215 59.4745 31.9881 179.4271 67 V 3.6166 7.9319 118.5308 66.1331 31.5226 177.7969 68 L 4.3742 8.3198 119.6613 57.4229 41.9516 178.9978 69 G 3.7463 8.4639 106.1182 47.8824 0.0000 175.6365 70 A 4.1549 8.0464 122.3761 54.7042 18.6953 179.0468 71 F 4.3190 8.6360 119.4646 61.6724 39.5814 177.2627 72 S 4.1879 8.8964 113.1140 61.7106 62.1326 175.9497 73 D 4.5355 8.3606 121.4788 57.0343 40.4946 178.9490 74 G 3.4707 7.9090 106.5409 47.4247 0.0000 175.5361 75 L 3.8574 7.2073 119.1042 56.4923 41.6631 178.4513 76 A 4.1723 7.3293 119.4772 53.2370 19.4493 176.7215 77 H 4.8907 7.9659 114.9051 54.9184 29.6479 175.4332 78 L 3.8971 7.8886 119.5208 57.4623 41.9163 178.4017 79 D 4.8506 7.8828 116.0541 54.8219 41.9285 176.2877 80 N 5.0130 8.1050 118.1528 51.4605 39.6316 174.7086 81 L 4.0735 7.8391 122.9543 57.6709 41.9406 179.3081 82 K 4.1075 8.0720 118.1513 59.5897 31.8724 179.5375 83 G 3.3604 7.8537 104.5910 47.8258 0.0000 175.6869 84 T 3.8424 7.6888 117.4105 65.6443 68.6628 175.8360 85 F 4.7368 7.9892 117.0773 57.0229 39.2392 177.3450 86 A 4.0487 7.4784 122.9026 55.7652 18.1164 180.4561 87 T 3.8369 7.8719 113.4692 66.9369 68.5366 176.8224 88 L 4.0865 7.9836 120.3516 57.5454 41.6922 179.1817 89 S 4.4024 8.5933 114.9967 61.0033 62.4000 175.9923 90 E 3.8985 8.3215 121.0812 59.4073 29.2216 179.1414 91 L 3.9295 8.1656 120.2932 58.7152 42.1768 178.8919 92 H 4.2416 8.5780 116.2832 58.5266 28.7649 177.4573 93 C 3.4763 7.7699 120.6461 62.3730 31.1801 175.3338 94 D 4.4376 8.2584 119.2813 56.2750 40.5995 177.5682 95 K 4.2253 7.7561 117.2694 57.5996 33.2060 177.5337 96 L 4.2014 7.6284 116.0164 54.5131 42.6266 175.8696 97 H 4.1574 7.2285 113.3369 56.7345 26.3222 175.1527 98 V 3.8350 7.7421 118.5504 60.8233 32.6544 174.7473 99 D 4.3445 8.7098 127.1376 53.8570 41.5888 175.0742 100 P 3.1930 0.0000 0.0000 64.1799 31.7697 177.9588 101 E 3.9033 8.1037 119.1390 59.1017 29.3250 178.3259 102 N 4.3166 7.8952 116.7037 56.0641 38.4543 177.2787 103 F 4.4436 7.3226 119.3829 60.6527 39.0638 177.8914 104 R 3.9877 7.9500 117.2575 59.1715 29.9485 178.9243 105 L 3.8524 7.8333 118.8466 57.6891 41.5382 179.3529 106 L 4.1014 8.2602 120.5349 57.9076 41.9791 179.1406 107 G 3.6978 8.1625 105.8675 48.0601 0.0000 175.4619 108 N 4.4784 8.1669 118.7581 55.8612 38.5198 177.8127 109 V 3.6433 8.0456 119.8666 65.7924 31.5684 177.8161 110 L 3.8707 8.3435 120.6234 58.1801 41.9184 179.1483 111 V 3.5928 7.8479 118.1654 66.1881 31.4149 177.8150 112 C 4.1292 8.0536 116.6108 62.7617 27.8559 176.2769 113 V 3.5283 7.8606 119.9910 65.7030 30.9787 178.1346 114 L 3.7541 7.8617 118.6868 57.6225 41.3997 179.1871 115 A 3.6890 7.1309 120.5639 55.3881 18.0184 179.2293 116 H 4.1304 7.8821 115.7575 59.5469 30.0067 176.7810 117 H 3.9930 8.1214 119.4121 58.6479 29.9084 176.4676 118 F 4.6937 8.3859 117.8675 55.6977 39.7516 177.5718 119 G 3.9416 8.7078 108.9444 46.0872 0.0000 177.7789 120 K 4.0603 8.9158 123.2957 59.1957 32.3711 177.6732 121 E 4.0595 7.9359 119.9798 58.4125 30.0546 177.0401 122 F 4.5668 8.0734 123.2854 57.1216 37.8338 175.1553 123 T 4.2258 7.3217 115.7080 60.1710 71.4359 173.6216 124 P 4.1571 0.0000 0.0000 65.5798 31.2118 177.2461 125 P 4.2523 0.0000 0.0000 65.3492 31.2119 178.9315 126 V 3.5474 7.3713 116.3357 65.8205 31.4432 177.6863 127 Q 3.5634 7.7335 119.2679 59.2301 28.7960 178.4453 128 A 4.1439 7.9764 121.3512 54.9926 18.3305 179.5390 129 A 3.9288 7.8088 119.6391 55.5629 18.4903 179.5402 130 Y 3.9501 8.1716 115.2743 61.0706 37.8969 178.6088 131 Q 4.1641 8.8226 119.7042 58.8873 28.7498 178.8647 132 K 3.9639 7.9363 119.1308 59.3711 32.0314 179.6204 133 V 3.4923 7.6732 118.3866 66.2314 31.5604 178.6312 134 V 3.8103 8.4925 112.2590 64.2770 31.2282 178.5068 135 A 4.1683 8.2158 121.0243 54.9480 18.2321 179.8687 136 G 3.5315 8.3446 104.5369 47.8727 0.0000 176.1844 137 V 3.4152 8.0459 120.4035 65.5298 31.6585 177.9482 138 A 3.8553 7.9913 120.5534 55.3578 18.0044 179.4149 139 N 4.3248 8.3223 114.0185 56.3401 38.3490 177.2617 140 A 4.1578 7.9477 122.3261 55.0268 18.1514 179.5860 141 L 3.8840 8.0111 117.1969 56.9150 41.6385 178.5566 142 A 4.3875 7.8762 119.2925 53.2476 18.7338 178.6096 143 H 4.2711 7.9074 116.0179 58.5169 29.9770 175.8232 144 K 4.4523 7.8545 117.4796 56.1802 32.1772 176.3143 145 Y 4.1782 8.0359 117.8464 58.4767 38.3857 175.8241 146 H 4.4806 8.3780 117.5262 56.1141 28.4291 173.2144 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 8.30 4.39 0.00 2.25 2.01 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 2 H 8.67 4.69 0.00 3.19 3.11 0.00 5.73 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 3 L 7.56 4.97 0.00 1.50 1.52 0.79 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.64 4.13 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 5 P 0.00 4.18 0.00 2.16 2.13 0.00 3.59 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 2.17 0.00 6 E 8.09 3.95 0.00 2.03 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 2.39 2.45 0.00 7 E 8.07 3.87 0.00 2.11 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 0.00 2.29 2.28 0.00 8 K 8.08 3.79 0.00 1.73 1.75 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 9 S 8.10 4.05 0.00 3.93 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 7.75 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 11 V 7.81 3.40 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 0.65 0.00 0.00 0.36 0.00 0.00 12 T 8.00 3.99 4.28 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 1.20 0.00 0.00 13 A 8.07 4.01 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 7.96 3.92 0.00 1.85 1.98 -0.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.58 4.49 0.00 3.83 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 16 G 8.01 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.40 0.00 1.94 2.01 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.56 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.36 7.81 18 V 7.34 3.68 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 0.09 0.00 0.00 0.82 0.00 0.00 19 N 8.35 4.48 0.00 2.71 2.58 0.00 0.00 6.84 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 8.11 3.45 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 1.26 0.00 0.00 0.92 0.00 0.00 21 D 8.00 4.28 0.00 2.83 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 8.09 3.83 0.00 1.94 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 2.19 2.24 0.00 23 V 7.95 3.58 1.90 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 0.93 0.00 0.00 0.65 0.00 0.00 24 G 8.28 3.68 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 0.00 0.00 0.00 25 G 8.00 3.62 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 26 E 7.96 3.84 0.00 2.06 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 2.23 2.30 0.00 27 A 8.05 3.90 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 28 L 7.94 4.00 0.00 1.76 1.63 0.80 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.00 3.55 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 0.00 30 R 8.21 3.93 0.00 1.87 1.92 0.00 3.08 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 31 L 7.92 4.01 0.00 1.87 1.90 0.98 0.54 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 32 L 7.84 4.04 0.00 1.83 1.67 0.72 0.86 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 33 V 7.17 3.62 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 0.71 0.00 0.00 0.95 0.00 0.00 34 V 7.74 3.58 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 -0.05 0.00 0.00 0.73 0.00 0.00 35 Y 7.18 3.96 0.00 2.61 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 36 P 0.00 4.51 0.00 2.24 2.11 0.00 3.87 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 37 W 8.04 4.39 0.00 3.53 3.46 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 38 T 7.77 4.25 4.41 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 1.13 0.00 0.00 39 Q 8.19 4.29 0.00 2.23 2.25 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 2.42 2.54 0.00 40 R 7.55 3.78 0.00 1.69 1.95 0.00 2.96 0.00 0.00 2.65 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 F 7.07 4.48 0.00 1.91 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.67 0.00 2.80 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 0.00 0.00 0.00 0.00 43 E 8.48 4.03 0.00 1.97 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 2.27 2.22 0.00 44 S 8.11 4.60 0.00 4.10 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 45 F 8.44 4.44 0.00 3.19 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 8.09 3.82 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 0.00 0.00 0.00 47 D 8.43 4.58 0.00 2.65 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 48 L 8.25 4.90 0.00 1.76 1.62 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 S 9.42 4.31 0.00 3.93 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 0.00 50 T 7.42 4.72 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 1.21 0.00 0.00 51 P 0.00 4.23 0.00 2.14 2.12 0.00 3.58 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 2.08 2.12 0.00 52 D 8.04 4.30 0.00 2.85 2.91 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 53 A 7.64 3.96 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 54 V 7.82 3.53 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 0.83 0.00 0.00 0.97 0.00 0.00 55 M 8.09 4.30 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.88 0.00 56 G 7.38 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.45 0.00 2.93 2.82 0.00 0.00 7.18 8.80 0.00 0.00 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 4.31 0.00 2.14 2.03 0.00 3.60 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 2.14 0.00 59 K 8.27 3.80 0.00 1.46 0.74 0.00 1.66 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.06 1.21 7.81 60 V 7.91 3.73 2.26 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 1.13 0.00 0.00 1.00 0.00 0.00 61 K 8.00 3.90 0.00 2.00 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.60 7.81 62 A 7.93 3.96 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 63 H 8.62 4.36 0.00 3.60 3.52 0.00 5.80 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 8.46 3.64 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 0.00 0.00 0.00 65 K 8.01 3.98 0.00 1.88 2.03 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.66 7.81 66 K 8.00 4.00 0.00 2.07 1.91 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.51 7.81 67 V 7.93 3.62 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 1.12 0.00 0.00 0.88 0.00 0.00 68 L 8.32 4.37 0.00 2.03 1.80 0.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.46 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 70 A 8.05 4.15 1.54 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 0.00 0.00 71 F 8.64 4.32 0.00 3.30 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 72 S 8.90 4.19 0.00 4.61 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 0.00 73 D 8.36 4.54 0.00 2.86 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 74 G 7.91 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.21 3.86 0.00 1.51 1.43 0.02 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.33 4.17 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 H 7.97 4.89 0.00 3.07 3.12 0.00 5.82 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 78 L 7.89 3.90 0.00 1.53 1.64 0.75 0.95 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 79 D 7.88 4.85 0.00 2.62 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 80 N 8.10 5.01 0.00 2.62 2.58 0.00 0.00 7.15 7.03 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 81 L 7.84 4.07 0.00 1.75 1.82 0.87 0.98 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 82 K 8.07 4.11 0.00 1.74 1.80 0.00 1.54 0.00 0.00 1.44 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.44 7.81 83 G 7.85 3.36 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 0.00 84 T 7.69 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 85 F 7.99 4.74 0.00 3.15 2.91 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 86 A 7.48 4.05 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 87 T 7.87 3.84 4.26 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 1.23 0.00 0.00 88 L 7.98 4.09 0.00 2.00 1.86 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.59 4.40 0.00 4.01 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 90 E 8.32 3.90 0.00 2.24 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 2.32 2.34 0.00 91 L 8.17 3.93 0.00 1.76 1.91 0.91 1.20 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 92 H 8.58 4.24 0.00 3.72 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.77 3.48 0.00 1.23 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 94 D 8.26 4.44 0.00 2.73 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 7.76 4.23 0.00 1.82 1.79 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.50 7.81 96 L 7.63 4.20 0.00 1.67 1.60 0.71 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.23 4.16 0.00 3.50 3.43 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.74 3.83 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 0.12 0.00 0.00 0.44 0.00 0.00 99 D 8.71 4.34 0.00 2.79 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 0.00 100 P 0.00 3.19 0.00 1.94 1.79 0.00 3.39 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.47 0.00 101 E 8.10 3.90 0.00 2.05 1.89 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 2.32 2.38 0.00 102 N 7.90 4.32 0.00 2.51 2.74 0.00 0.00 6.90 8.20 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 0.00 103 F 7.32 4.44 0.00 3.09 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 R 7.95 3.99 0.00 2.05 1.97 0.00 3.37 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 105 L 7.83 3.85 0.00 1.69 1.33 0.71 0.05 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 0.00 106 L 8.26 4.10 0.00 1.80 1.87 0.92 0.94 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 0.00 107 G 8.16 3.70 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 0.00 0.00 0.00 108 N 8.17 4.48 0.00 2.95 2.95 0.00 0.00 6.69 7.22 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 0.00 109 V 8.05 3.64 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 1.13 0.00 0.00 1.15 0.00 0.00 110 L 8.34 3.87 0.00 1.74 1.82 0.90 0.21 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 0.00 111 V 7.85 3.59 2.32 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 1.31 0.00 0.00 1.17 0.00 0.00 112 C 8.05 4.13 0.00 3.20 2.93 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 0.00 113 V 7.86 3.53 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 1.00 0.00 0.00 0.92 0.00 0.00 114 L 7.86 3.75 0.00 1.05 1.13 0.65 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.13 3.69 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 0.00 116 H 7.88 4.13 0.00 3.15 3.39 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.12 3.99 0.00 2.81 2.56 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.39 4.69 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 0.00 119 G 8.71 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 0.00 120 K 8.92 4.06 0.00 1.91 2.01 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 121 E 7.94 4.06 0.00 1.99 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 2.32 2.26 0.00 122 F 8.07 4.57 0.00 3.07 3.15 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 0.00 123 T 7.32 4.23 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 1.30 0.00 0.00 124 P 0.00 4.16 0.00 2.16 2.14 0.00 3.58 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 2.19 0.00 125 P 0.00 4.25 0.00 2.12 2.07 0.00 3.50 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 2.09 2.12 0.00 126 V 7.37 3.55 2.03 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 0.92 0.00 0.00 0.90 0.00 0.00 127 Q 7.73 3.56 0.00 1.74 2.09 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 2.40 2.53 0.00 128 A 7.98 4.14 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 0.00 129 A 7.81 3.93 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 8.17 3.95 0.00 3.31 3.25 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 0.00 131 Q 8.82 4.16 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.62 0.00 132 K 7.94 3.96 0.00 1.94 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.62 7.81 133 V 7.67 3.49 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 0.96 0.00 0.00 0.73 0.00 0.00 134 V 8.49 3.81 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 1.03 0.00 0.00 1.12 0.00 0.00 135 A 8.22 4.17 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 0.00 136 G 8.34 3.53 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 0.00 137 V 8.05 3.42 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 0.58 0.00 0.00 0.75 0.00 0.00 138 A 7.99 3.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.32 0.00 2.73 2.90 0.00 0.00 7.04 7.24 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 0.00 140 A 7.95 4.16 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 0.00 141 L 8.01 3.88 0.00 0.96 0.49 -0.05 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.88 4.39 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 0.00 143 H 7.91 4.27 0.00 3.36 3.50 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 7.85 4.45 0.00 1.87 1.83 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.59 7.81 145 Y 8.04 4.18 0.00 3.10 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 0.00 146 H 8.38 4.48 0.00 3.21 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