NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4506 8.1927 115.4137 57.7833 64.6589 174.1880 3 V 3.2597 8.2614 121.1355 66.0425 31.2018 176.7335 4 Y 3.9903 8.5634 117.2969 61.1656 37.9610 177.7380 5 D 4.3828 7.7805 118.0861 57.1778 41.2127 178.3172 6 A 4.0718 8.1059 121.1278 55.1550 18.3884 179.5503 7 A 3.8580 8.3476 119.4315 55.1486 18.1829 179.6508 8 A 4.0523 7.7570 118.2778 54.8774 18.4970 179.1373 9 Q 4.2763 7.7305 114.9911 56.6252 29.8609 177.1003 10 L 4.2089 7.4293 121.4829 53.7980 40.2113 177.0905 11 T 4.2534 7.6939 114.9700 60.1433 71.7484 175.0366 12 A 3.9511 8.4389 121.7258 55.7601 18.1404 179.4995 13 D 4.2909 7.9917 116.6530 57.3488 40.9184 179.0413 14 V 3.4849 7.3098 118.3895 65.9776 31.5454 178.2552 15 K 3.8535 8.2312 118.4868 59.1676 31.7398 179.2740 16 K 3.9533 8.0591 119.9204 59.7440 32.1903 178.6961 17 D 4.5898 8.3590 119.3247 57.2415 40.6015 178.8668 18 L 3.7261 8.0023 119.6484 57.7206 41.5844 179.7557 19 R 4.0335 8.1012 117.9499 59.4599 29.4016 178.8347 20 D 4.4760 8.5231 119.2300 57.5070 40.8780 179.1089 21 S 3.2300 8.2055 114.7251 60.6997 63.1143 176.3252 22 W 4.3500 8.6883 132.1112 60.0009 30.1888 177.7120 23 K 3.8756 7.9502 119.2485 59.1985 31.5384 178.5978 24 V 3.7332 7.0618 115.2331 65.6380 31.6506 178.2270 25 I 3.4827 7.4877 112.2250 63.3559 37.6465 177.9669 26 G 2.1593 6.9646 109.1405 46.3649 0.0000 174.6557 27 S 4.1010 7.0500 113.8883 60.0237 63.3931 174.1734 28 D 4.6954 7.2036 119.3072 51.3046 40.9687 175.5249 29 K 3.8317 7.9321 123.0607 58.7512 32.5464 178.4495 30 K 4.0040 7.9717 119.4547 59.4202 32.2848 178.9283 31 G 3.5823 8.0079 106.6327 47.5847 0.0000 175.3174 32 N 4.4682 8.3703 119.8663 55.2365 38.5318 178.0361 33 G 3.4761 8.1187 107.5420 47.8562 0.0000 176.0870 34 V 3.5863 7.7364 120.9483 65.3179 31.5015 177.9328 35 A 3.9196 7.9180 120.7234 54.9584 18.2073 179.5206 36 L 3.7826 7.9126 117.4833 58.2251 41.6703 179.7874 37 M 3.4445 7.6883 118.5179 58.3659 31.8559 179.0000 38 T 3.9006 8.0133 110.2904 65.0891 68.7741 176.7329 39 T 3.8144 7.8214 118.5966 66.0510 68.3395 176.4289 40 L 3.8048 7.4928 122.2484 58.2878 41.7187 179.1647 41 F 4.4724 7.7120 117.5159 60.4530 38.5480 177.6648 42 A 4.0913 8.0558 119.7944 55.2537 18.3549 179.0139 43 D 4.6070 8.2037 115.7751 55.4268 42.6854 176.7939 44 N 5.1824 8.3065 116.3923 51.0375 39.0775 174.9047 45 Q 4.2876 8.3924 119.4840 58.0263 29.4901 179.0227 46 E 4.2169 8.2289 114.0693 57.9750 30.0233 177.9080 47 T 4.5897 8.2423 110.6046 63.0818 69.4402 176.5909 48 I 3.8811 7.7943 123.4209 64.5545 36.8344 178.0993 49 G 3.6399 8.0778 105.2365 48.1483 0.0000 174.8484 50 Y 4.3279 7.6035 117.3556 60.0497 38.0146 176.5291 51 F 4.7829 8.1116 118.2982 57.0195 39.8437 177.6626 52 K 3.8041 8.3783 125.0296 59.7597 31.9347 178.5927 53 R 3.9841 7.9885 117.3014 59.1319 30.0984 177.1404 54 L 4.1980 8.0058 116.3695 55.3613 42.6440 179.0234 55 G 3.8096 7.6964 105.6792 45.9591 0.0000 176.0318 56 D 4.4861 8.3679 119.0340 53.8304 40.6012 177.1700 57 V 3.7876 7.9257 120.0255 62.9652 31.5529 177.4517 58 S 4.3767 7.7524 113.3156 60.2831 63.3613 175.7066 59 Q 4.1426 8.1429 121.5580 56.1177 28.8495 177.2715 60 G 3.7823 8.5582 109.0815 46.3314 0.0000 176.9659 61 M 3.9936 8.9588 122.7126 58.1180 31.9915 177.0207 62 A 4.0190 7.6747 120.1510 54.0366 18.9208 177.2950 63 N 4.6092 8.1606 115.3383 52.8557 39.3924 175.1709 64 D 4.3920 8.6927 129.1856 57.4552 40.9893 178.9513 65 K 4.0234 8.1335 118.5577 59.3267 32.0750 179.0338 66 L 4.0431 8.5409 120.8813 58.0419 42.0278 179.0010 67 R 4.0025 8.3425 118.9892 59.3781 30.1788 178.7611 68 G 3.6509 8.4648 105.9212 48.0008 0.0000 175.1659 69 H 4.2327 8.4998 120.7619 59.1559 30.0390 177.5597 70 S 4.0735 8.4731 117.2849 61.6465 62.4443 176.7877 71 I 3.7778 7.6756 121.2134 64.8186 37.3003 178.3176 72 T 4.1905 7.9267 116.2655 66.5794 68.2977 176.4252 73 L 3.9041 8.1000 122.3398 58.4318 42.1072 179.0148 74 M 4.2057 7.9967 118.0476 58.3484 31.8202 178.0869 75 Y 4.0276 7.9212 115.9363 60.1099 38.0644 177.8303 76 A 3.7651 7.5662 123.6215 54.2640 18.3053 179.6462 77 L 3.6090 7.3971 117.0389 57.6421 41.6857 179.2150 78 Q 3.4352 7.7694 119.5171 58.8825 28.7327 177.8293 79 N 4.2623 7.7298 116.9323 56.7980 39.3312 176.3298 80 F 4.6349 7.6728 118.9175 60.9374 38.9175 177.7150 81 I 3.5440 7.6441 119.1919 64.5506 36.6443 178.2079 82 D 4.4971 8.1289 118.0859 56.3633 41.0372 177.6521 83 Q 4.4603 7.7513 117.4025 55.7968 28.8656 177.1969 84 L 3.9823 7.5104 121.3455 57.9187 41.6422 178.2268 85 D 4.3388 8.0977 117.6902 56.2239 41.1722 175.8800 86 N 4.8249 7.9901 117.9120 50.6380 40.3679 172.6445 87 P 4.2371 0.0000 0.0000 66.1315 31.0762 177.9654 88 D 4.4556 8.2935 118.2162 57.1100 40.8198 178.2851 89 D 4.4181 8.2287 119.1195 56.7626 40.9900 178.3306 90 L 3.9668 8.0501 121.0347 58.1885 42.0558 179.2002 91 V 3.3932 7.8806 118.5126 66.0668 31.2612 177.7724 92 C 4.1391 7.9319 114.1407 61.1730 29.4966 176.2325 93 V 3.6884 7.8038 114.6534 63.8670 31.1365 178.6230 94 V 3.8655 8.0965 118.3176 66.2373 31.4550 178.0475 95 E 3.9185 8.4301 118.3954 58.9034 28.9608 179.3599 96 K 3.8521 7.4648 119.2397 59.8351 32.4189 178.3549 97 Y 4.6762 8.2390 118.0504 60.2133 37.6558 178.0792 98 A 3.9872 8.4070 122.3486 55.2624 18.4920 179.7390 99 V 3.5373 7.7678 116.4772 66.3342 31.5527 177.9932 100 N 4.4121 8.0784 116.2078 56.1307 38.2658 176.5831 101 H 4.4086 8.0533 116.6262 57.6911 29.4405 177.4467 102 I 3.7362 8.1237 122.5380 64.5046 36.7093 178.5213 103 T 3.8967 7.8624 108.9231 64.1160 68.7255 175.1376 104 R 4.3398 7.1758 116.9439 55.1155 30.1721 176.0955 105 K 3.8051 7.7245 116.1812 57.4608 29.9976 175.6273 106 I 4.0054 7.7269 119.9365 60.0452 37.9416 177.2739 107 S 4.5315 8.3889 120.7620 57.2220 65.6243 174.9052 108 A 3.9614 8.4379 122.9632 55.2202 17.8353 179.6307 109 A 3.9790 7.9301 117.7078 55.5563 18.8590 179.3275 110 E 4.1474 8.2591 116.8735 59.3330 29.6310 179.2999 111 F 4.1559 8.6931 121.2573 61.0424 39.4602 177.1790 112 G 3.8706 8.3633 104.8488 46.7836 0.0000 175.2014 113 K 4.2089 7.9460 120.5721 58.3725 32.0443 178.3967 114 I 3.4806 7.5799 118.9458 63.0852 37.8088 177.2431 115 N 4.4718 8.2071 118.0125 56.2913 38.3235 177.2143 116 G 3.6147 7.6022 106.7755 47.5185 0.0000 173.8118 117 P 4.2139 0.0000 0.0000 65.1207 31.2707 178.7928 118 I 3.5088 7.7764 118.4830 64.0948 36.9462 178.3275 119 K 3.9181 8.1908 120.5506 59.4918 32.0327 179.0543 120 K 3.9577 8.0715 118.7184 59.4090 31.7409 179.5797 121 V 3.5406 7.9080 118.6803 65.8973 31.3757 178.0595 122 L 3.8799 8.1058 118.7049 57.7737 41.4921 179.2948 123 A 4.1598 8.2421 121.0281 55.2200 18.1149 179.7582 124 S 4.2124 8.1263 111.3527 60.4189 62.9932 175.8102 125 K 4.4149 7.0938 120.1885 55.4439 32.3089 175.3603 126 N 4.1175 8.0532 116.0312 54.6424 37.5239 173.7581 127 F 4.5605 8.3002 115.7197 55.1846 40.7044 176.5115 128 G 4.1528 8.6129 115.4490 44.0318 0.0000 172.2056 129 D 4.5000 8.9341 118.7824 57.7393 40.7543 178.7708 130 K 3.8239 8.1379 119.2003 59.9399 32.1646 178.2960 131 Y 4.1496 8.0450 116.1261 60.9165 37.9370 177.8228 132 A 4.2300 8.3372 121.8835 55.4044 18.4602 179.4893 133 N 4.3748 8.7640 115.2096 56.1962 38.3356 177.5650 134 A 3.9329 7.8582 121.9207 55.0897 18.4812 179.8151 135 W 3.8350 8.4908 117.1860 59.6519 29.0581 178.6618 136 A 4.1110 8.1879 121.0154 55.0021 17.5329 179.8397 137 K 3.9153 7.6013 116.1593 59.4014 32.3641 179.0562 138 L 3.9107 7.5795 120.5928 58.0542 42.0430 179.0950 139 V 3.7318 8.1176 118.1252 66.0420 31.4269 177.8210 140 A 4.4780 8.0902 121.7784 54.4196 17.8757 179.8216 141 V 3.4086 7.3210 116.5163 66.0041 31.8473 178.1463 142 V 3.4749 7.4289 117.5909 65.8949 31.2848 177.7742 143 Q 3.8128 8.0348 117.6040 58.8856 28.3377 178.6815 144 A 4.0459 7.8274 120.1516 53.9352 18.4600 178.3378 145 A 4.3712 7.5473 117.2961 51.9955 19.6058 177.0014 146 L 4.1467 7.4160 122.6573 54.6694 41.8788 176.4307 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 2 S 8.19 4.45 0.00 4.14 4.11 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 3 V 8.26 3.26 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 0.91 0.00 0.00 0.84 0.00 0.00 4 Y 8.56 3.99 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.78 4.38 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.11 4.07 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 7 A 8.35 3.86 1.30 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 8 A 7.76 4.05 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 9 Q 7.73 4.28 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.21 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 10 L 7.43 4.21 0.00 1.66 1.54 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.69 4.25 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 A 8.44 3.95 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 13 D 7.99 4.29 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.31 3.48 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.23 3.85 0.00 1.92 1.79 0.00 1.68 0.00 0.00 1.52 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.54 7.81 16 K 8.06 3.95 0.00 1.99 1.99 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.47 1.72 7.81 17 D 8.36 4.59 0.00 2.84 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 18 L 8.00 3.73 0.00 1.65 1.26 0.56 -0.50 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 19 R 8.10 4.03 0.00 2.05 2.05 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 20 D 8.52 4.48 0.00 2.98 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 21 S 8.21 3.23 0.00 3.45 3.49 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 0.00 22 W 8.69 4.35 0.00 3.78 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 23 K 7.95 3.88 0.00 1.85 1.99 0.00 1.87 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.46 7.81 24 V 7.06 3.73 2.17 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 1.07 0.00 0.00 1.10 0.00 0.00 25 I 7.49 3.48 1.57 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 1.29 0.27 0.68 0.00 0.00 26 G 6.96 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.05 4.10 0.00 3.86 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 28 D 7.20 4.70 0.00 2.61 2.39 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 29 K 7.93 3.83 0.00 1.75 1.72 0.00 1.20 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.39 7.81 30 K 7.97 4.00 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.01 3.58 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 0.00 32 N 8.37 4.47 0.00 2.69 2.72 0.00 0.00 7.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.12 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 3.59 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 1.08 0.00 0.00 0.95 0.00 0.00 35 A 7.92 3.92 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 36 L 7.91 3.78 0.00 1.79 1.56 0.79 0.61 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 37 M 7.69 3.44 0.00 1.56 1.91 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 38 T 8.01 3.90 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 39 T 7.82 3.81 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 1.18 0.00 0.00 40 L 7.49 3.80 0.00 1.57 1.26 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.71 4.47 0.00 3.07 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 42 A 8.06 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.20 4.61 0.00 2.71 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 44 N 8.31 5.18 0.00 2.98 2.89 0.00 0.00 6.83 8.72 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 45 Q 8.39 4.29 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 46 E 8.23 4.22 0.00 2.09 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 2.37 2.30 0.00 47 T 8.24 4.59 4.72 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 1.46 0.00 0.00 48 I 7.79 3.88 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.06 0.70 0.00 0.00 49 G 8.08 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 50 Y 7.60 4.33 0.00 2.78 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 51 F 8.11 4.78 0.00 3.16 3.05 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 52 K 8.38 3.80 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 53 R 7.99 3.98 0.00 1.84 2.00 0.00 3.32 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 8.01 4.20 0.00 1.81 1.76 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.70 3.81 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 0.00 0.00 0.00 56 D 8.37 4.49 0.00 2.78 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 57 V 7.93 3.79 1.70 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 0.62 0.00 0.00 0.31 0.00 0.00 58 S 7.75 4.38 0.00 3.97 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 59 Q 8.14 4.14 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.85 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 60 G 8.56 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 61 M 8.96 3.99 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.61 0.00 62 A 7.67 4.02 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 N 8.16 4.61 0.00 2.80 2.89 0.00 0.00 7.02 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 64 D 8.69 4.39 0.00 2.78 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 65 K 8.13 4.02 0.00 2.00 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.54 4.04 0.00 1.81 1.88 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.34 4.00 0.00 2.08 2.04 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.46 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 69 H 8.50 4.23 0.00 3.37 3.65 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.47 4.07 0.00 4.05 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 71 I 7.68 3.78 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.67 1.16 0.00 0.00 72 T 7.93 4.19 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 1.29 0.00 0.00 73 L 8.10 3.90 0.00 1.66 1.77 0.89 0.79 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 74 M 8.00 4.21 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.87 0.00 75 Y 7.92 4.03 0.00 3.33 3.07 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 76 A 7.57 3.77 0.50 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 77 L 7.40 3.61 0.00 1.54 1.26 0.96 1.13 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 78 Q 7.77 3.44 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 79 N 7.73 4.26 0.00 2.93 2.85 0.00 0.00 7.28 6.60 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 80 F 7.67 4.63 0.00 3.08 2.80 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 0.00 0.00 0.00 0.00 81 I 7.64 3.54 1.60 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.83 0.00 0.00 82 D 8.13 4.50 0.00 2.81 2.76 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 83 Q 7.75 4.46 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 84 L 7.51 3.98 0.00 1.52 1.69 0.79 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.10 4.34 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 7.99 4.82 0.00 2.75 2.68 0.00 0.00 6.90 7.40 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 87 P 0.00 4.24 0.00 2.34 2.30 0.00 3.75 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 2.08 0.00 88 D 8.29 4.46 0.00 2.97 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 89 D 8.23 4.42 0.00 2.88 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 90 L 8.05 3.97 0.00 1.91 1.76 0.87 0.60 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 91 V 7.88 3.39 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 0.57 0.00 0.00 0.50 0.00 0.00 92 C 7.93 4.14 0.00 3.13 3.18 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 93 V 7.80 3.69 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.29 0.00 0.00 94 V 8.10 3.87 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 0.94 0.00 0.00 0.53 0.00 0.00 95 E 8.43 3.92 0.00 2.06 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 2.25 2.35 0.00 96 K 7.46 3.85 0.00 1.68 1.66 0.00 1.45 0.00 0.00 0.88 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.46 7.81 97 Y 8.24 4.68 0.00 3.37 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 98 A 8.41 3.99 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 99 V 7.77 3.54 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 1.02 0.00 0.00 0.97 0.00 0.00 100 N 8.08 4.41 0.00 3.08 2.87 0.00 0.00 6.93 8.05 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 0.00 101 H 8.05 4.41 0.00 3.39 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.12 3.74 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.83 0.91 0.00 0.00 103 T 7.86 3.90 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 1.23 0.00 0.00 104 R 7.18 4.34 0.00 1.90 1.84 0.00 3.34 0.00 0.00 3.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 105 K 7.72 3.81 0.00 1.98 1.95 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.58 7.81 106 I 7.73 4.01 1.98 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.96 0.00 0.00 107 S 8.39 4.53 0.00 4.07 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 0.00 108 A 8.44 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.93 3.98 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 0.00 110 E 8.26 4.15 0.00 2.12 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 2.42 2.40 0.00 111 F 8.69 4.16 0.00 3.17 3.18 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 0.00 112 G 8.36 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 0.00 113 K 7.95 4.21 0.00 1.98 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.55 7.81 114 I 7.58 3.48 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.74 0.00 0.00 115 N 8.21 4.47 0.00 2.96 2.88 0.00 0.00 6.70 7.74 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 0.00 116 G 7.60 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.21 0.00 2.16 2.13 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 118 I 7.78 3.51 1.95 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 1.19 0.67 0.63 0.00 0.00 119 K 8.19 3.92 0.00 1.93 2.00 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.07 3.96 0.00 1.94 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.63 7.81 121 V 7.91 3.54 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 0.90 0.00 0.00 0.86 0.00 0.00 122 L 8.11 3.88 0.00 1.95 1.96 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.24 4.16 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 0.00 124 S 8.13 4.21 0.00 4.02 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 0.00 125 K 7.09 4.41 0.00 2.14 1.98 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.55 7.81 126 N 8.05 4.12 0.00 2.71 2.58 0.00 0.00 6.92 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 F 8.30 4.56 0.00 3.14 2.84 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 0.00 128 G 8.61 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 0.00 0.00 0.00 129 D 8.93 4.50 0.00 2.82 2.80 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 0.00 0.00 0.00 0.00 130 K 8.14 3.82 0.00 1.74 1.56 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.39 7.81 131 Y 8.05 4.15 0.00 3.45 3.21 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 0.00 132 A 8.34 4.23 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 0.00 133 N 8.76 4.37 0.00 2.89 2.89 0.00 0.00 6.90 7.35 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 0.00 134 A 7.86 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 0.00 135 W 8.49 3.84 0.00 3.64 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 0.00 136 A 8.19 4.11 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 0.00 137 K 7.60 3.92 0.00 1.85 1.81 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.66 1.54 7.81 138 L 7.58 3.91 0.00 1.45 1.70 0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.12 3.73 2.34 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 1.19 0.00 0.00 1.16 0.00 0.00 140 A 8.09 4.48 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 0.00 141 V 7.32 3.41 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 0.60 0.00 0.00 0.81 0.00 0.00 142 V 7.43 3.47 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 0.27 0.00 0.00 0.77 0.00 0.00 143 Q 8.03 3.81 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 144 A 7.83 4.05 1.30 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 0.00 145 A 7.55 4.37 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 0.00 146 L 7.42 4.15 0.00 1.70 1.51 0.53 0.71 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