NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.1635 8.2548 109.1120 45.5488 0.0000 175.3459 17 I 3.4700 7.3115 120.2893 63.8316 37.1928 175.4601 18 T 3.8677 7.7584 115.8857 63.3873 69.9679 174.5509 19 G 3.5255 7.3239 112.1023 44.9557 0.0000 170.8301 20 T 4.7238 7.7217 116.7630 61.5814 70.8555 173.9933 21 W 5.3602 9.2193 125.4119 55.1262 33.7126 173.9584 22 Y 6.1618 9.4855 118.4032 55.5358 42.1744 174.7398 23 N 5.5861 8.9902 119.7713 50.1524 40.1600 175.5041 24 Q 4.0820 8.6975 116.1851 58.6497 28.5416 177.3425 25 L 4.2088 8.1650 117.5648 55.1874 42.0656 177.5370 26 G 4.0610 8.2291 106.6738 44.7982 0.0000 174.0984 27 S 4.6235 8.2084 115.7071 58.8043 64.6254 173.0218 28 T 5.0708 8.8493 119.0319 61.7816 71.7138 173.1022 29 F 4.9904 9.2254 128.0135 56.5687 42.5690 173.4613 30 I 4.7056 8.5750 128.5083 59.4859 38.9876 175.3741 31 V 4.6516 8.2519 126.4091 59.8927 35.4146 174.6292 32 T 4.6664 8.5358 118.1418 61.7195 71.6765 172.6887 33 A 4.7209 9.1019 129.6009 50.4687 20.0786 177.2506 34 G 3.9281 9.5201 112.6681 44.2314 0.0000 174.7156 35 A 4.1053 8.5531 123.0748 54.4033 18.5093 178.2851 36 D 4.5824 8.1188 113.5658 53.2658 39.8542 177.2699 37 G 3.3766 8.3299 108.6143 44.9110 0.0000 173.2603 38 A 4.8659 7.8516 120.7446 51.4121 20.3324 176.6909 39 L 5.2823 8.7851 120.6481 53.1940 45.2124 175.8919 40 T 4.9998 8.3679 111.8320 59.9434 72.6528 174.3777 41 G 4.1021 7.1893 109.2878 46.4172 0.0000 171.2197 42 T 5.3168 7.6762 109.4554 60.1369 72.7808 172.6126 43 Y 5.1091 9.2903 124.0545 55.8710 42.5796 173.7257 44 E 5.2256 9.0673 126.7917 54.5931 32.5927 174.4342 45 S 4.9985 9.3088 121.9408 57.2715 63.5032 173.9563 46 A 4.1820 9.1331 131.0919 54.1294 18.4170 177.0390 47 V 4.3372 7.1307 107.6315 60.1585 35.3130 175.5479 48 G 3.5220 8.3223 108.7426 44.9726 0.0000 173.5212 49 N 4.5285 7.9434 115.3033 51.7010 37.3064 174.1095 50 A 4.9224 7.5549 122.8465 50.5996 22.5719 175.6161 51 E 4.7026 9.9141 120.6081 55.9565 33.4628 176.8954 52 S 3.6954 8.5705 119.5235 58.6962 61.7522 170.1534 53 R 4.9735 8.4011 116.5815 55.5934 31.6413 175.6888 54 Y 4.7503 8.9058 119.3535 55.8833 41.8396 175.3563 55 V 4.3404 8.5940 123.2757 62.9407 32.4680 174.9973 56 L 5.1961 8.8447 126.3308 54.4594 44.1411 175.1416 57 T 4.8286 8.6534 113.8820 61.2751 71.5579 173.0732 58 G 4.6399 8.7549 113.0776 46.1354 0.0000 171.6741 59 R 5.6789 8.9219 117.3112 54.9613 34.7628 174.2530 60 Y 5.2662 8.8438 118.8984 55.4620 41.4141 174.4636 61 D 4.4725 9.0036 121.0841 53.6539 41.6124 176.5375 62 S 4.2579 8.2203 119.6831 58.6934 63.7984 174.7976 63 A 4.6684 8.1445 123.0127 50.2304 18.8724 174.3405 64 P 4.6498 0.0000 0.0000 60.9610 32.6481 177.0276 65 A 4.3065 8.3717 122.8984 52.6594 18.9880 177.5168 66 T 4.7169 8.1592 108.5610 61.0537 69.5780 174.8273 67 D 4.3444 8.1526 121.4636 55.4819 39.3807 177.0886 68 G 4.1518 6.3632 103.2110 45.3179 0.0000 173.0410 69 S 4.4532 8.1440 115.5723 57.4817 63.7942 173.9834 70 G 4.0196 8.3440 109.9799 46.4034 0.0000 172.7400 71 T 4.8634 8.9480 116.7570 61.4385 70.5795 174.6991 72 A 4.8359 8.7342 129.1783 52.2225 19.9132 175.9333 73 L 4.8918 9.0516 120.9036 55.6242 44.6472 173.8121 74 G 5.0889 9.0835 104.5968 45.8297 0.0000 172.3662 75 W 5.7670 8.0490 116.9833 55.6321 31.8826 173.2529 76 T 5.2622 9.2661 116.6976 61.9371 72.4407 173.4011 77 V 4.5066 8.5922 122.8308 61.1819 35.0228 173.6783 78 A 4.4985 8.2757 129.4774 49.1798 20.3298 178.2162 79 W 4.1649 8.3887 126.7294 55.9059 27.7253 176.5845 80 K 5.2749 7.8942 118.1811 54.9083 34.9537 174.4647 81 N 4.9609 8.9420 123.3077 51.7703 39.8261 174.2368 82 N 4.2153 8.4592 113.7646 55.8102 38.7929 175.4033 83 Y 4.5483 7.1276 115.3080 59.0503 39.3579 175.4974 84 R 4.6652 8.6143 118.1256 55.1699 33.4798 173.3135 85 N 5.2670 8.4871 119.0031 52.4500 40.6526 173.5740 86 A 4.3406 9.1994 128.7266 51.6134 19.9862 176.3674 87 H 4.1528 8.3745 113.9514 55.9244 26.9242 173.5460 88 S 5.2033 7.2431 111.3270 57.7861 66.6108 175.3936 89 A 5.0599 8.9778 121.8292 50.6947 22.8388 175.1747 90 T 5.0178 8.6658 117.4129 61.7339 72.2836 173.2603 91 T 4.9402 8.3355 114.9757 59.6506 71.9457 172.5833 92 W 5.0360 8.7529 125.7242 54.7345 31.7952 174.7562 93 S 4.9857 8.7352 119.3919 56.7575 64.7991 172.9727 94 G 4.8065 8.7422 113.0455 47.0390 0.0000 171.7278 95 Q 5.2827 8.2767 117.7630 54.7679 32.6661 173.5490 96 Y 4.9155 9.1528 123.1797 56.8163 40.8248 174.3314 97 V 4.1529 8.5677 126.7036 61.0399 33.9764 175.5546 98 G 3.7824 7.6903 118.8936 44.1197 0.0000 169.1760 99 G 3.7214 8.7109 104.3663 43.8691 0.0000 173.1667 100 A 4.1055 8.7095 121.7754 54.6593 18.4436 178.1684 101 E 4.4965 7.7037 115.6990 54.0885 29.0421 174.4023 102 A 4.5040 7.9711 124.3519 52.0160 20.0748 176.5417 103 R 5.4018 9.1903 119.7169 54.7488 35.5527 174.4698 104 I 5.0366 8.8362 121.6738 59.8873 40.6554 174.2102 105 N 5.4245 8.9849 125.8498 52.1613 40.4258 174.7330 106 T 5.4270 9.4492 113.5879 60.0880 73.2329 172.6228 107 Q 5.0612 8.9907 119.9755 53.8692 32.9267 174.7301 108 W 5.4303 8.5932 119.1877 54.6491 32.5098 173.8982 109 L 5.2494 8.6119 120.0269 52.9766 44.9013 175.2570 110 L 5.0218 9.2101 126.6772 53.7682 44.3130 174.8784 111 T 5.0979 8.7590 123.8004 62.0393 70.8381 174.0046 112 S 5.1789 8.7620 122.5708 56.5610 65.2360 174.3618 113 G 3.9177 8.5959 111.2392 46.5049 0.0000 173.1105 114 T 4.7834 8.2773 113.4184 59.4700 72.2886 173.2664 115 T 4.4382 8.0189 112.1194 60.8218 69.7356 175.1395 116 E 3.9735 8.5883 121.2996 58.7834 29.5704 177.8799 117 A 4.3166 7.4852 119.8118 54.1438 18.9106 178.1570 118 N 4.6167 7.8147 113.0121 53.1261 38.9989 176.5394 119 A 4.1689 8.2781 125.6537 54.3494 18.0905 179.7421 120 W 4.3972 8.3773 113.8228 58.3859 28.0782 176.7079 121 K 4.1591 6.9293 118.9735 56.1499 32.2101 177.1772 122 S 4.2584 7.8342 115.4381 60.5273 63.6882 173.2423 123 T 5.0658 7.5872 117.6007 61.7863 70.8652 173.3892 124 L 4.8860 8.9719 126.6789 53.1535 44.6142 175.9033 125 V 4.3480 7.8707 119.9365 60.2587 34.5984 174.8263 126 G 3.0171 6.3824 109.1126 45.3294 0.0000 170.7698 127 H 5.3784 7.9886 114.0165 53.9994 31.5317 172.6460 128 D 5.3320 9.3512 120.4384 52.8849 45.1757 174.7274 129 T 5.2044 8.8331 118.4055 61.9831 71.7126 173.0810 130 F 5.5001 9.7795 125.5904 56.3090 42.0357 174.8806 131 T 5.2321 9.5963 118.9785 61.6625 71.5064 173.3282 132 K 3.8265 8.2441 127.3077 55.7017 32.7254 176.7504 133 V 3.8454 8.1384 127.7490 61.9476 32.6938 176.2075 134 K 4.0460 8.5814 122.9971 57.0764 33.0787 174.5414 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 16 G 8.25 4.16 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 17 I 7.31 3.47 1.30 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.45 0.00 0.00 18 T 7.76 3.87 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 1.11 0.00 0.00 19 G 7.32 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 20 T 7.72 4.72 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 0.77 0.00 0.00 21 W 9.22 5.36 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 9.49 6.16 0.00 3.00 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 23 N 8.99 5.59 0.00 2.42 1.63 0.00 0.00 6.48 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 24 Q 8.70 4.08 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 25 L 8.17 4.21 0.00 1.84 1.79 0.98 0.94 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 26 G 8.23 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.21 4.62 0.00 4.07 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.85 5.07 4.29 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 1.13 0.00 0.00 29 F 9.23 4.99 0.00 2.61 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 30 I 8.58 4.71 1.75 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 1.14 0.68 0.77 0.00 0.00 31 V 8.25 4.65 0.67 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 0.14 0.00 0.00 0.52 0.00 0.00 32 T 8.54 4.67 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 1.13 0.00 0.00 33 A 9.10 4.72 0.65 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 34 G 9.52 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.55 4.11 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 36 D 8.12 4.58 0.00 2.77 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 37 G 8.33 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 38 A 7.85 4.87 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 39 L 8.79 5.28 0.00 1.65 1.46 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.37 5.00 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 1.21 0.00 0.00 41 G 7.19 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 0.00 0.00 0.00 0.00 42 T 7.68 5.32 4.31 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 1.22 0.00 0.00 43 Y 9.29 5.11 0.00 3.06 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 44 E 9.07 5.23 0.00 2.11 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 2.29 2.39 0.00 45 S 9.31 5.00 0.00 4.36 3.80 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 46 A 9.13 4.18 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 47 V 7.13 4.34 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 0.72 0.00 0.00 0.83 0.00 0.00 48 G 8.32 3.52 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 49 N 7.94 4.53 0.00 2.57 2.63 0.00 0.00 6.58 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.55 4.92 1.07 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 0.00 0.00 51 E 9.91 4.70 0.00 1.93 1.94 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 2.19 2.23 0.00 52 S 8.57 3.70 0.00 3.88 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 53 R 8.40 4.97 0.00 1.75 1.88 0.00 3.23 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 54 Y 8.91 4.75 0.00 2.98 2.77 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 0.00 0.00 0.00 55 V 8.59 4.34 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 0.80 0.00 0.00 0.94 0.00 0.00 56 L 8.84 5.20 0.00 2.01 1.78 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.65 4.83 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 8.75 4.64 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 59 R 8.92 5.68 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 60 Y 8.84 5.27 0.00 2.96 2.85 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 61 D 9.00 4.47 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 62 S 8.22 4.26 0.00 3.85 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.14 4.67 1.20 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 0.00 0.00 64 P 0.00 4.65 0.00 2.14 2.11 0.00 3.80 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 2.16 2.36 0.00 65 A 8.37 4.31 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 66 T 8.16 4.72 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 1.29 0.00 0.00 67 D 8.15 4.34 0.00 2.80 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 68 G 6.36 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 69 S 8.14 4.45 0.00 3.91 3.83 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 0.00 0.00 0.00 70 G 8.34 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 71 T 8.95 4.86 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 72 A 8.73 4.84 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 73 L 9.05 4.89 0.00 2.04 1.97 1.23 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.08 5.09 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 0.00 0.00 0.00 75 W 8.05 5.77 0.00 3.48 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 76 T 9.27 5.26 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 1.19 0.00 0.00 77 V 8.59 4.51 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 -0.17 0.00 0.00 0.87 0.00 0.00 78 A 8.28 4.50 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.39 4.16 0.00 3.41 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 80 K 7.89 5.27 0.00 1.94 1.71 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 81 N 8.94 4.96 0.00 2.69 2.49 0.00 0.00 6.59 6.58 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 82 N 8.46 4.22 0.00 1.89 2.37 0.00 0.00 6.70 7.46 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 83 Y 7.13 4.55 0.00 3.25 3.17 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 84 R 8.61 4.67 0.00 1.95 1.96 0.00 3.17 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 85 N 8.49 5.27 0.00 2.68 2.59 0.00 0.00 6.91 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 9.20 4.34 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 H 8.37 4.15 0.00 3.35 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.24 5.20 0.00 4.00 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 89 A 8.98 5.06 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 90 T 8.67 5.02 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 -0.26 0.00 0.00 91 T 8.34 4.94 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 1.15 0.00 0.00 92 W 8.75 5.04 0.00 1.78 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 0.00 0.00 0.00 93 S 8.74 4.99 0.00 3.81 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 94 G 8.74 4.81 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 95 Q 8.28 5.28 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 96 Y 9.15 4.92 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.57 4.15 2.02 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 0.86 0.00 0.00 0.93 0.00 0.00 98 G 7.69 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 99 G 8.71 3.72 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 0.00 0.00 0.00 100 A 8.71 4.11 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 0.00 101 E 7.70 4.50 0.00 1.96 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 2.22 2.27 0.00 102 A 7.97 4.50 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 0.00 103 R 9.19 5.40 0.00 1.80 1.93 0.00 3.45 0.00 0.00 3.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 104 I 8.84 5.04 1.84 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.03 1.04 0.00 0.00 105 N 8.98 5.42 0.00 2.77 2.83 0.00 0.00 6.10 6.90 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 0.00 106 T 9.45 5.43 4.51 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 0.00 0.00 0.00 1.46 0.00 0.00 107 Q 8.99 5.06 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 108 W 8.59 5.43 0.00 2.53 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 0.00 0.00 0.00 0.00 109 L 8.61 5.25 0.00 1.54 1.53 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.21 5.02 0.00 1.61 1.66 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.76 5.10 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 1.19 0.00 0.00 112 S 8.76 5.18 0.00 3.67 3.74 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 0.00 113 G 8.60 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.28 4.78 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 1.20 0.00 0.00 115 T 8.02 4.44 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 1.20 0.00 0.00 116 E 8.59 3.97 0.00 1.98 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 2.31 2.47 0.00 117 A 7.49 4.32 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 0.00 118 N 7.81 4.62 0.00 2.61 2.64 0.00 0.00 6.74 7.36 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 0.00 119 A 8.28 4.17 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 0.00 120 W 8.38 4.40 0.00 3.58 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 6.93 4.16 0.00 1.04 0.74 0.00 1.15 0.00 0.00 0.94 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 0.76 7.81 122 S 7.83 4.26 0.00 4.17 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 0.00 123 T 7.59 5.07 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 1.19 0.00 0.00 124 L 8.97 4.89 0.00 1.78 1.73 0.96 0.71 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 0.00 125 V 7.87 4.35 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 0.52 0.00 0.00 0.62 0.00 0.00 126 G 6.38 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 0.00 0.00 0.00 127 H 7.99 5.38 0.00 3.21 3.14 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.35 5.33 0.00 3.20 2.36 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 0.00 129 T 8.83 5.20 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 1.39 0.00 0.00 130 F 9.78 5.50 0.00 3.08 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 0.00 131 T 9.60 5.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 132 K 8.24 3.83 0.00 0.79 1.10 0.00 1.02 0.00 0.00 1.34 0.00 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.72 0.21 7.81 133 V 8.14 3.85 2.23 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 0.60 0.00 0.00 0.97 0.00 0.00 134 K 8.58 4.05 0.00 1.80 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.29 1.31 7.81