NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5259 8.1627 120.3618 55.9758 34.4331 177.1661 2 M 3.9412 8.1869 117.5257 58.0174 32.2648 176.0924 3 D 4.3513 8.4078 117.9479 57.5603 41.7820 177.0808 4 Y 4.1418 7.9442 119.4458 60.7825 38.8715 177.7492 5 L 3.7340 8.3489 120.2565 57.5769 41.3469 179.6396 6 I 3.8059 8.0411 120.2009 64.7409 36.9329 178.6717 7 T 4.0284 7.8952 108.3470 63.9672 68.9740 175.2369 8 Q 4.2789 7.9340 119.2424 54.6200 29.1494 175.4382 9 N 4.1113 7.3600 112.8350 54.2189 36.6606 174.8095 10 G 4.0997 8.6018 98.9797 45.0808 0.0000 174.9230 11 G 3.9006 7.8510 110.5285 47.2657 0.0000 175.2878 12 M 3.9991 8.2428 120.2576 59.1331 31.9978 178.4088 13 V 3.4999 7.5367 111.7343 64.5269 31.6323 178.5619 14 F 4.4073 7.9689 116.7594 60.2324 38.7688 177.7710 15 A 4.0989 8.1141 120.3209 54.8991 18.2656 179.6898 16 V 3.5159 8.1041 117.2135 66.1140 31.5666 178.0295 17 L 4.0206 8.1068 119.8726 57.9551 41.8858 178.7591 18 A 4.1005 8.2230 120.8606 55.5577 18.4001 179.5098 19 M 4.0207 8.1305 116.9235 58.4070 32.0135 178.8566 20 A 3.9810 8.1098 120.8311 55.4786 18.4680 179.7794 21 T 4.0059 8.3730 114.3232 66.8469 68.1571 176.6736 22 A 4.0897 8.1488 122.5502 55.5066 18.4037 179.8989 23 T 3.7932 7.9230 114.0388 66.8635 68.5161 177.0627 24 I 3.4923 8.0469 121.9238 64.5806 37.2019 178.6972 25 F 4.0918 7.7759 118.5732 60.2696 38.7633 178.1342 26 S 4.2998 7.8507 114.0214 61.4324 62.8079 176.8546 27 G 3.5831 8.1524 109.4540 47.4143 0.0000 175.7962 28 I 3.7729 8.1036 122.5997 64.0061 37.1422 178.5532 29 G 3.6898 7.9492 106.4334 48.0685 0.0000 175.8844 30 S 4.6077 8.3718 118.9025 60.6875 62.8560 176.5202 31 A 3.9463 8.3199 123.8613 55.2120 18.0365 179.9137 32 K 4.0160 8.3967 117.2738 59.4726 32.1317 179.9974 33 G 3.5456 8.1731 106.0103 47.8437 0.0000 176.0384 34 V 3.8471 8.5250 121.6545 65.3657 31.4431 178.3272 35 G 3.5543 8.2328 105.5735 48.0510 0.0000 175.1859 36 M 4.0160 8.3413 121.8716 58.6567 32.1711 178.4873 37 T 4.0258 8.0506 115.9105 66.4930 68.4949 176.9657 38 G 3.6528 8.4164 108.0144 47.7666 0.0000 175.6008 39 E 3.9654 8.4600 120.7552 59.2411 29.4960 179.3631 40 A 4.0037 7.9788 120.2123 55.0357 18.4472 179.5830 41 A 3.9592 8.5006 119.6054 55.1421 18.2965 179.7071 42 A 3.9762 8.4216 119.4699 55.2758 18.2431 179.7204 43 A 3.9548 7.7764 118.2291 55.2096 18.7240 179.2747 44 L 4.0627 7.9903 118.8898 58.6845 41.3909 179.3947 45 T 4.1260 8.0797 115.7011 66.3933 68.0962 176.6145 46 T 4.0866 7.6362 111.4143 63.7890 68.7024 175.1051 47 S 4.6066 7.5641 114.7489 58.5212 65.7163 174.3574 48 Q 4.8460 8.6151 118.8141 52.3374 28.6202 174.2603 49 P 4.4587 0.0000 0.0000 64.8046 32.5049 179.0357 50 E 4.1154 8.2239 116.9389 58.2841 29.9194 177.8496 51 K 4.5077 8.0268 119.3394 56.4902 32.5190 177.9392 52 F 4.3365 8.2891 124.0844 61.5423 39.2236 177.3575 53 G 3.4835 8.1514 104.5516 48.0916 0.0000 175.4685 54 Q 3.9708 7.9686 120.0169 58.3495 28.7800 178.4219 55 A 3.9602 7.9783 121.9545 54.9850 18.5213 179.4466 56 L 3.6993 7.8010 119.0944 58.1036 41.8426 179.1771 57 I 3.6190 7.1632 118.2699 64.4603 37.0386 177.9831 58 L 4.0971 7.6563 119.1981 57.9280 41.2110 179.4336 59 Q 3.9542 7.7508 118.4655 59.0738 29.1578 177.9982 60 L 4.1149 7.7367 119.3647 56.8195 41.7412 179.0834 61 L 3.9169 7.4794 119.1596 57.6038 41.9062 177.3570 62 P 4.9316 0.0000 0.0000 62.9919 30.7495 177.8425 63 G 3.8094 8.2337 106.6439 46.1444 0.0000 176.1101 64 T 3.6766 7.3121 111.6557 64.3325 68.7707 176.6021 65 Q 4.1339 8.0189 120.7230 59.1206 28.8292 179.2875 66 G 3.6564 8.3424 106.6239 47.5707 0.0000 175.8217 67 L 4.0257 7.0969 118.0670 57.7825 41.6371 178.9192 68 Y 4.3759 7.8218 117.0094 61.1972 37.7834 179.1071 69 G 4.2417 8.2982 107.8822 47.3356 0.0000 175.3746 70 F 4.1668 8.4621 123.2775 61.0927 39.3408 177.3710 71 V 3.7455 8.3492 117.8008 66.1382 31.3875 177.9932 72 I 3.7823 8.2950 119.3178 64.4500 37.0131 178.1754 73 A 3.9875 8.2540 121.6590 55.2925 18.2734 179.5249 74 F 4.0021 8.2768 119.1515 61.0761 39.1605 177.2330 75 L 3.9403 8.0774 119.6880 57.9206 42.1546 178.7439 76 I 3.5751 7.8508 119.9201 64.1420 36.5115 177.8493 77 F 3.9588 8.0309 121.7425 61.3451 38.9229 176.8453 78 I 3.6457 7.1530 109.4477 62.0901 37.6576 176.0368 79 N 4.7544 7.2287 117.2108 52.9916 38.8119 175.7400 80 L 4.0982 6.9246 119.0792 55.2720 43.0374 176.1352 81 G 4.4413 7.9086 113.8306 45.7110 0.0000 173.1035 82 S 4.1710 7.9488 117.0575 60.6904 63.4455 175.1059 83 D 4.6336 7.9386 118.1789 54.4564 41.0148 175.3340 84 M 4.1514 7.6651 118.7899 55.8036 32.8010 176.1366 85 S 4.3663 8.4903 121.1799 57.9013 65.5204 175.3231 86 V 3.7389 8.2615 121.7242 66.0346 31.2571 178.1596 87 V 3.4917 7.7729 117.5813 66.1931 31.3842 177.6687 88 Q 3.9201 8.0154 118.7813 58.9576 28.8771 178.2817 89 G 3.9360 8.3159 106.7915 48.1116 0.0000 175.7076 90 L 3.9617 8.2886 122.0980 57.3195 41.5395 179.3744 91 N 4.2482 8.2856 116.6603 56.2748 38.5522 177.4299 92 F 4.3173 8.1477 119.1880 60.3700 38.7632 177.4631 93 L 4.1875 8.0311 119.1428 58.2742 42.1433 178.9171 94 G 3.7855 8.4818 105.7518 47.8557 0.0000 175.4682 95 A 4.0915 8.1948 123.1838 54.7617 18.4908 179.6422 96 S 4.2771 8.0936 112.1444 60.8649 63.2607 176.7612 97 L 4.1993 7.7921 123.4320 57.3210 41.3816 177.2471 98 P 4.3684 0.0000 0.0000 65.9445 31.3940 178.5362 99 I 3.8632 8.0631 116.9439 63.7498 37.8903 177.6089 100 A 3.9657 7.9999 121.4445 55.2778 18.2996 179.3221 101 F 4.5952 8.3146 115.5045 59.7409 39.5627 178.6420 102 T 4.2995 8.4910 110.0404 64.4988 68.6071 177.0643 103 G 3.7028 8.4036 108.6834 47.5775 0.0000 175.2003 104 L 3.9920 8.0503 123.2746 58.1113 42.1506 179.1918 105 F 4.2404 8.3983 117.6513 60.3767 38.9326 178.1359 106 S 4.4469 8.7413 114.3219 61.1245 62.9009 176.7858 107 G 3.6494 8.2542 109.5010 47.7568 0.0000 175.7876 108 I 3.7237 7.6254 122.1681 63.9966 37.0419 178.4218 109 A 4.0656 8.1853 121.6272 55.2906 18.1914 179.5045 110 Q 4.0799 8.7582 118.7067 59.1878 29.0453 178.4981 111 G 3.7016 8.2428 106.8816 47.8081 0.0000 175.8042 112 K 4.0012 8.0010 120.2830 59.2436 32.0535 179.6975 113 V 3.6210 7.7158 118.4724 65.8363 31.2446 178.0165 114 A 4.0119 8.2389 119.8255 55.0405 18.4239 179.0812 115 A 4.0760 8.3479 119.3558 55.3595 18.5345 179.7342 116 A 4.0973 8.2092 119.3975 55.2234 18.4287 180.1001 117 G 3.6989 8.3105 104.2553 47.8531 0.0000 175.9240 118 I 3.7860 7.5448 121.9099 64.5152 37.0316 178.4252 119 Q 4.0411 8.0754 118.4746 58.6760 28.3917 178.6918 120 I 3.7296 7.6634 120.6468 64.2804 37.0262 177.8576 121 L 3.8637 7.7047 119.6402 58.0920 41.9352 178.5662 122 A 4.1410 7.9664 119.6710 54.9344 18.4447 178.9739 123 K 4.3584 7.8992 114.7911 57.0331 34.5488 177.5533 124 K 4.7051 8.6095 118.0410 53.5651 32.6673 174.9904 125 P 4.3379 0.0000 0.0000 65.5604 31.6998 179.1179 126 E 4.0763 8.1662 115.1342 58.2873 29.9543 176.8918 127 H 4.7810 8.4274 116.8642 55.5645 29.3217 176.0141 128 A 4.0550 7.8390 124.7915 55.6935 17.9567 180.6166 129 T 3.8108 7.9118 113.7713 66.7221 68.4731 176.5974 130 K 3.7580 8.1524 120.6289 59.2594 32.0961 179.5522 131 G 3.7331 7.9206 105.6764 47.7802 0.0000 175.8183 132 I 3.7372 7.6495 121.6763 64.2028 37.1928 178.4186 133 I 3.6350 7.7023 120.5252 64.3199 36.6898 178.3028 134 F 4.4918 7.6181 117.0849 60.9125 39.1776 177.4076 135 A 4.2112 8.1280 119.4677 55.0794 18.2022 179.5374 136 A 4.0525 8.4740 119.5465 55.3892 18.1601 179.6856 137 M 4.1469 7.8158 116.1257 58.2069 32.1310 178.5421 138 V 4.0650 7.8719 117.9514 65.2984 31.7039 177.4089 139 E 4.0091 8.1257 119.4395 59.4501 29.2502 178.6080 140 T 3.6205 7.7936 115.3986 67.1589 68.4681 175.5754 141 Y 4.1475 7.2094 117.4660 60.5602 37.8177 178.0427 142 A 4.1960 8.0766 121.6693 55.1186 18.5372 179.5729 143 I 3.3645 7.7903 118.4018 64.3667 37.1532 178.6333 144 L 4.0878 8.2061 120.1789 57.7554 41.4822 179.8286 145 G 4.0250 8.1003 106.8482 47.2223 0.0000 175.4580 146 F 4.2448 8.5509 123.4980 61.0266 39.3280 177.3870 147 V 3.3799 8.1027 118.0659 66.0049 31.3397 178.0499 148 I 3.7001 7.7523 119.4859 64.5033 36.8820 178.4994 149 S 4.4200 8.0756 117.2672 60.9270 62.7468 176.5131 150 F 3.7555 8.2859 123.5069 61.3280 38.8731 177.1616 151 L 4.0837 7.9564 117.1592 57.9125 41.5047 179.3044 152 L 4.0951 8.1273 118.9693 57.4546 41.2765 179.7092 153 V 3.6687 7.9898 118.6137 66.0618 31.3234 178.1786 154 L 3.9463 7.4782 116.6031 56.7130 41.4818 177.8504 155 N 4.6428 7.2925 114.3704 53.1198 39.5200 174.2770 156 A 3.8083 7.2171 127.1938 53.0645 18.2426 177.1374 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 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.19 3.94 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.79 0.00 3 D 8.41 4.35 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 4 Y 7.94 4.14 0.00 3.09 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 5 L 8.35 3.73 0.00 1.94 1.74 0.89 0.92 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 6 I 8.04 3.81 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.92 0.00 0.00 7 T 7.90 4.03 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 1.22 0.00 0.00 8 Q 7.93 4.28 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 N 7.36 4.11 0.00 2.79 2.79 0.00 0.00 6.78 7.53 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 10 G 8.60 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 11 G 7.85 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 12 M 8.24 4.00 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 13 V 7.54 3.50 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 0.71 0.00 0.00 0.23 0.00 0.00 14 F 7.97 4.41 0.00 3.34 3.19 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 15 A 8.11 4.10 1.24 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 0.00 0.00 16 V 8.10 3.52 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 0.99 0.00 0.00 0.99 0.00 0.00 17 L 8.11 4.02 0.00 2.00 1.97 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.22 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.74 0.00 20 A 8.11 3.98 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 21 T 8.37 4.01 4.52 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 1.42 0.00 0.00 22 A 8.15 4.09 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 23 T 7.92 3.79 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 1.30 0.00 0.00 24 I 8.05 3.49 1.49 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.67 0.19 0.00 0.00 25 F 7.78 4.09 0.00 2.78 2.79 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 0.00 0.00 0.00 0.00 26 S 7.85 4.30 0.00 4.19 4.36 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 27 G 8.15 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 28 I 8.10 3.77 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.70 0.88 0.00 0.00 29 G 7.95 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 30 S 8.37 4.61 0.00 3.86 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 31 A 8.32 3.95 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 32 K 8.40 4.02 0.00 1.85 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.57 7.81 33 G 8.17 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 34 V 8.52 3.85 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 1.06 0.00 0.00 1.00 0.00 0.00 35 G 8.23 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 36 M 8.34 4.02 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.05 4.03 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 1.28 0.00 0.00 38 G 8.42 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 39 E 8.46 3.97 0.00 2.21 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 0.00 2.33 2.52 0.00 40 A 7.98 4.00 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 41 A 8.50 3.96 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 42 A 8.42 3.98 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 43 A 7.78 3.95 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 44 L 7.99 4.06 0.00 1.81 1.87 0.94 0.93 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 45 T 8.08 4.13 4.44 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 1.23 0.00 0.00 46 T 7.64 4.09 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 1.27 0.00 0.00 47 S 7.56 4.61 0.00 4.15 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 48 Q 8.62 4.85 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 49 P 0.00 4.46 0.00 2.19 2.40 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.22 4.12 0.00 2.16 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 2.38 2.29 0.00 51 K 8.03 4.51 0.00 2.06 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.38 7.81 52 F 8.29 4.34 0.00 3.18 3.10 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 53 G 8.15 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 54 Q 7.97 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.98 3.96 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 56 L 7.80 3.70 0.00 1.14 1.45 0.82 0.99 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 57 I 7.16 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 0.86 0.00 0.00 58 L 7.66 4.10 0.00 1.84 1.71 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.75 3.95 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 60 L 7.74 4.11 0.00 1.86 1.63 0.85 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.48 3.92 0.00 1.91 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.93 0.00 2.18 2.23 0.00 3.94 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 2.25 2.05 0.00 63 G 8.23 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 64 T 7.31 3.68 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 1.04 0.00 0.00 65 Q 8.02 4.13 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.76 2.67 0.00 66 G 8.34 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 67 L 7.10 4.03 0.00 1.59 1.60 0.75 0.61 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 68 Y 7.82 4.38 0.00 3.23 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 69 G 8.30 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.46 4.17 0.00 3.26 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.35 3.75 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 1.50 0.00 0.00 1.20 0.00 0.00 72 I 8.29 3.78 2.19 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.95 0.99 0.00 0.00 73 A 8.25 3.99 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 74 F 8.28 4.00 0.00 2.73 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 8.08 3.94 0.00 1.84 1.83 0.79 0.23 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 76 I 7.85 3.58 1.89 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 1.44 0.83 0.32 0.00 0.00 77 F 8.03 3.96 0.00 3.01 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 78 I 7.15 3.65 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.62 0.44 0.00 0.00 79 N 7.23 4.75 0.00 2.89 2.98 0.00 0.00 6.99 7.27 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 80 L 6.92 4.10 0.00 1.46 1.39 0.62 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.91 4.44 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 0.00 82 S 7.95 4.17 0.00 3.99 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 83 D 7.94 4.63 0.00 2.64 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 84 M 7.67 4.15 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 85 S 8.49 4.37 0.00 4.09 3.98 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 0.00 0.00 0.00 86 V 8.26 3.74 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 1.06 0.00 0.00 1.10 0.00 0.00 87 V 7.77 3.49 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.02 3.92 0.00 2.16 2.25 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 2.50 2.27 0.00 89 G 8.32 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 90 L 8.29 3.96 0.00 1.69 1.57 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.29 4.25 0.00 2.67 2.61 0.00 0.00 6.96 7.67 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 92 F 8.15 4.32 0.00 3.37 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 93 L 8.03 4.19 0.00 1.95 1.96 1.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.48 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.19 4.09 1.50 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 96 S 8.09 4.28 0.00 4.27 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 0.00 97 L 7.79 4.20 0.00 1.85 1.98 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.37 0.00 2.36 2.19 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 8.06 3.86 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.47 1.13 0.00 0.00 100 A 8.00 3.97 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 0.00 101 F 8.31 4.60 0.00 3.28 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 8.49 4.30 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 1.38 0.00 0.00 103 G 8.40 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 0.00 104 L 8.05 3.99 0.00 2.04 1.87 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.40 4.24 0.00 3.44 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 0.00 106 S 8.74 4.45 0.00 4.24 4.35 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 0.00 107 G 8.25 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 0.00 108 I 7.63 3.72 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.94 0.00 0.00 109 A 8.19 4.07 1.47 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 0.00 110 Q 8.76 4.08 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.24 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 0.00 112 K 8.00 4.00 0.00 2.05 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.72 3.62 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 1.15 0.00 0.00 1.02 0.00 0.00 114 A 8.24 4.01 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 0.00 115 A 8.35 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 0.00 116 A 8.21 4.10 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 0.00 117 G 8.31 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 0.00 118 I 7.54 3.79 2.08 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.83 0.95 0.00 0.00 119 Q 8.08 4.04 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.66 3.73 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.96 1.01 0.00 0.00 121 L 7.70 3.86 0.00 1.66 1.96 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.97 4.14 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 0.00 123 K 7.90 4.36 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.61 4.71 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.34 0.00 2.21 2.43 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.17 4.08 0.00 2.01 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 1.98 2.16 0.00 127 H 8.43 4.78 0.00 3.30 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.84 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 0.00 129 T 7.91 3.81 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 130 K 8.15 3.76 0.00 1.87 1.51 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 131 G 7.92 3.73 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 0.00 0.00 0.00 132 I 7.65 3.74 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.67 0.88 0.00 0.00 133 I 7.70 3.64 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.07 0.79 0.00 0.00 134 F 7.62 4.49 0.00 3.21 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 0.00 135 A 8.13 4.21 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 0.00 136 A 8.47 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 0.00 137 M 7.82 4.15 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.02 0.00 138 V 7.87 4.06 2.29 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 1.23 0.00 0.00 1.04 0.00 0.00 139 E 8.13 4.01 0.00 2.19 2.09 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 2.36 2.48 0.00 140 T 7.79 3.62 2.96 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 0.77 0.00 0.00 141 Y 7.21 4.15 0.00 3.22 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 0.00 142 A 8.08 4.20 1.56 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 0.00 0.00 0.00 143 I 7.79 3.36 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.76 0.83 0.00 0.00 144 L 8.21 4.09 0.00 1.75 1.77 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.10 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.55 4.24 0.00 2.90 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 0.00 147 V 8.10 3.38 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 1.02 0.00 0.00 0.93 0.00 0.00 148 I 7.75 3.70 1.91 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 1.75 0.81 0.93 0.00 0.00 149 S 8.08 4.42 0.00 4.13 3.95 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 0.00 150 F 8.29 3.76 0.00 2.63 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 0.00 151 L 7.96 4.08 0.00 1.83 1.73 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.13 4.10 0.00 1.89 1.68 0.93 0.66 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 0.00 153 V 7.99 3.67 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 1.10 0.00 0.00 1.04 0.00 0.00 154 L 7.48 3.95 0.00 1.74 1.65 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.29 4.64 0.00 2.73 2.72 0.00 0.00 7.13 7.78 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 0.00 156 A 7.22 3.81 0.12 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 0.00 0.00