NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4559 8.3044 118.1947 55.1556 32.5657 174.2533 1 V 4.2419 7.8892 118.3435 60.7510 34.3932 173.4679 2 L 4.3835 8.2791 127.2642 53.8250 43.7906 176.7018 3 S 4.5677 8.4489 116.9937 57.6557 65.4849 175.1276 4 E 4.3486 8.7717 122.0620 59.3162 29.4726 178.8878 5 G 3.6191 8.0927 105.6015 47.6557 0.0000 175.4742 6 E 3.9243 8.0674 120.4739 59.0840 29.4124 179.4490 7 W 4.3741 8.0986 118.9455 59.8701 29.1031 178.6526 8 Q 4.1387 8.5459 118.2944 58.9990 28.0633 178.7040 9 L 4.1065 7.9434 119.6825 57.6914 41.5903 179.8263 10 V 3.7732 8.0072 118.3947 65.8665 31.6066 177.6194 11 L 4.4686 8.5607 117.5660 56.3468 41.4214 178.5525 12 H 4.3309 8.3231 119.5052 59.1284 29.9561 177.4187 13 V 3.7675 7.8451 120.7191 64.2769 31.3968 178.1615 14 W 3.9270 8.6063 128.9664 60.0998 30.2579 177.7849 15 A 4.0136 7.9264 120.1293 54.5874 18.0000 179.5870 16 K 3.9230 7.2406 117.5781 59.4978 32.2359 179.3349 17 V 2.8485 7.0842 118.4579 66.0506 30.9700 177.7320 18 E 3.8547 7.5270 115.6739 58.2890 29.2669 178.6459 19 A 4.2459 7.5489 120.5456 53.5948 19.9285 177.3161 20 D 4.5983 7.9555 116.7913 51.8090 41.8679 175.5957 21 V 3.5025 7.9281 122.9304 65.2704 32.0001 176.9029 22 A 4.0544 7.9611 120.3608 54.8909 18.3212 179.6656 23 G 3.8544 8.2648 105.6375 47.8444 0.0000 175.7337 24 H 4.1940 8.2657 119.0327 58.3355 28.6965 178.1049 25 G 3.6146 8.3445 107.9164 47.6989 0.0000 175.4993 26 Q 3.8279 8.1030 121.8027 59.0735 29.1424 177.8462 27 D 4.3080 7.9557 119.8000 57.4904 40.8421 179.0732 28 I 3.6271 7.6885 119.8849 64.5232 37.0922 178.5800 29 L 3.4365 7.7150 119.6268 57.5537 41.3109 179.7800 30 I 3.7227 7.7199 119.9148 64.2683 36.9660 178.3983 31 R 3.8970 8.0207 119.6756 59.0968 29.7907 178.4352 32 L 3.8847 7.8262 120.2486 58.2344 41.6054 179.0296 33 F 4.6356 8.0343 118.1101 60.4426 38.5659 177.9756 34 K 4.0057 8.4944 117.6070 59.7084 32.0230 179.3280 35 S 4.2684 8.0179 114.1018 60.5137 64.0683 174.6449 36 H 4.7297 8.3990 119.0364 51.9419 29.1873 171.8819 37 P 4.4502 0.0000 0.0000 64.5027 31.5732 177.4887 38 E 4.2421 8.2375 116.2302 59.4085 29.4059 179.0631 39 T 3.8548 8.2278 111.1292 64.2783 68.8630 176.3419 40 L 3.8613 8.0565 123.3374 57.7570 41.7447 178.6068 41 E 4.1039 7.9995 117.6475 59.0715 29.4169 178.8911 42 K 4.4321 8.2031 117.3726 57.2961 32.6873 177.6068 43 F 4.5000 8.2629 119.0502 55.7339 38.8946 176.0051 44 D 4.3953 8.4385 124.4252 56.8122 41.0398 178.4364 45 R 3.8780 7.7209 118.3558 57.9924 30.4247 176.6441 46 F 5.0292 7.2564 114.2774 57.3541 41.0872 177.5095 47 K 4.0526 8.2024 122.1480 59.7296 32.0493 176.8436 48 H 4.3909 8.1939 111.5052 56.7569 28.8614 175.1152 49 L 4.1582 7.4863 121.8969 54.7848 41.5460 176.9477 50 K 4.1890 9.3038 124.8527 57.9897 32.8588 177.2915 51 T 4.7281 7.3085 107.4675 58.9617 73.2751 174.2484 52 E 3.9331 8.5981 120.3857 59.0999 29.6062 178.4482 53 A 4.0469 7.9055 120.7276 55.0012 18.2906 179.2809 54 E 3.9613 7.8886 116.4955 59.6194 29.7901 179.1117 55 M 4.1441 8.1726 118.8789 58.4167 31.8350 178.9796 56 K 3.9683 8.2890 117.5262 58.8712 32.2855 178.3393 57 A 4.4811 7.4330 117.9525 51.2684 19.4034 176.9941 58 S 4.2600 7.5808 114.2964 57.4228 62.9546 174.4816 59 E 3.9857 8.8942 129.0934 59.2388 29.4757 178.1510 60 D 4.4547 8.1391 118.5705 57.3906 41.0382 178.1196 61 L 3.1471 7.8502 120.6633 58.0941 42.0083 179.0646 62 K 3.9083 7.8376 118.7259 59.3371 32.0582 178.9555 63 K 4.0477 8.1338 119.0352 59.6440 31.8914 178.8382 64 H 4.4376 8.5527 118.8366 59.1039 29.7482 177.5390 65 G 3.5866 8.2747 107.7644 47.6278 0.0000 175.9414 66 V 3.5975 7.6956 119.9777 66.0928 31.5789 178.1762 67 T 3.8712 7.9098 115.5482 66.5338 68.2978 176.1468 68 L 3.9369 8.1328 122.3556 58.4104 42.1053 179.1425 69 L 4.2097 8.1673 118.9010 58.0000 41.5267 179.6151 70 T 3.9490 8.3454 115.8753 66.6818 68.2915 176.4548 71 A 4.0136 8.0718 122.6458 54.9296 18.2969 179.4841 72 L 3.7257 8.0310 118.9982 58.1390 42.2028 179.1765 73 G 3.4707 8.4287 105.8058 48.0022 0.0000 175.4231 74 A 4.0487 7.8033 121.8126 54.6008 18.6076 179.4913 75 I 3.8709 7.2629 118.7432 64.3579 37.3180 178.4980 76 L 3.9856 7.8267 120.0424 57.5830 41.1601 179.5573 77 K 3.9982 7.6712 117.1525 58.5612 32.2593 179.0902 78 K 3.9233 7.8974 118.8439 56.6285 31.9021 177.1283 79 K 2.0000 8.0712 117.4008 56.6519 29.6944 176.2253 80 G 4.0652 8.1312 107.4289 45.9323 0.0000 174.9626 81 H 4.6966 7.5864 118.4498 54.0262 27.2136 174.6284 82 H 5.1390 7.1164 112.1230 54.1260 30.1957 176.5395 83 E 3.9398 8.4216 121.2680 60.0507 29.0415 179.1930 84 A 4.1252 7.8886 118.4902 55.3091 18.6358 179.0846 85 E 4.0717 8.1791 116.6187 59.3825 29.4772 179.1186 86 L 4.1058 8.2435 120.3616 57.4977 42.0669 178.9536 87 K 3.9736 7.7640 118.4660 59.0855 32.0864 177.4807 88 P 4.3165 0.0000 0.0000 65.5951 31.2809 178.0582 89 L 4.0984 7.4987 120.3677 57.8243 42.0058 178.6389 90 A 4.2353 8.4329 121.2204 55.0484 18.2981 179.4220 91 Q 3.9321 8.4084 118.6079 59.1756 29.0304 178.4512 92 S 4.0683 8.2154 115.4444 61.5286 63.2617 176.1756 93 H 4.1327 8.6874 119.4798 58.0467 28.2436 177.4946 94 A 2.8775 7.9192 122.0503 54.2317 18.5392 178.9424 95 T 3.9346 7.5292 112.5843 64.9243 69.3082 176.3562 96 K 4.0168 7.4409 120.1433 59.1379 32.8030 177.4037 97 H 4.2215 7.8921 114.9835 56.7662 29.3462 175.2924 98 K 3.2112 7.5184 115.9616 56.7264 27.9300 175.7431 99 I 4.3588 8.0511 119.3731 58.6421 38.6220 174.9928 100 P 4.4428 0.0000 0.0000 62.2611 32.1784 177.2716 101 I 3.6321 8.1216 121.1872 64.7333 36.9587 178.4884 102 K 3.6334 7.9618 119.7147 59.8989 31.8902 178.2267 103 Y 4.3006 8.0494 116.7994 60.8820 37.8010 178.1965 104 L 4.2367 7.9224 119.7066 57.5631 41.7909 179.1535 105 E 4.0000 8.1550 118.8113 59.4124 29.4357 179.2129 106 F 4.5101 7.9102 117.8285 60.8291 38.9065 177.5448 107 I 3.9521 8.2114 117.6904 63.5954 37.7714 178.1267 108 S 4.2024 8.0827 116.5324 61.5582 62.6765 176.0141 109 E 4.0336 8.5077 121.8764 59.2976 29.4119 178.7932 110 A 4.0712 8.0596 120.8293 55.0622 18.4006 179.7352 111 I 3.7139 8.2112 118.8015 64.7146 37.2227 178.7909 112 I 3.8543 7.9707 120.6780 64.4131 36.8479 178.0879 113 H 4.1254 8.4349 119.2815 59.2109 29.6597 177.5512 114 V 3.5450 7.8616 120.0096 66.0476 31.3081 177.9803 115 L 3.8022 7.8399 118.7491 57.8674 41.0421 178.9505 116 H 4.3282 7.8530 117.3000 59.5027 29.8889 177.2593 117 S 4.1853 7.9853 116.0052 61.4201 62.7496 176.3080 118 R 4.1027 7.9799 119.5389 57.2443 31.4190 176.5158 119 H 5.0433 8.2287 115.5308 53.8365 29.4461 172.9144 120 P 4.3118 0.0000 0.0000 65.8638 31.7378 179.5197 121 G 3.6597 8.1637 106.6714 47.5668 0.0000 173.6883 122 N 5.0282 8.2261 115.3233 52.8667 39.2326 174.9999 123 F 4.9578 7.8729 119.0446 56.3913 39.7721 174.8750 124 G 3.8813 7.7633 108.6138 44.2533 0.0000 172.1151 125 A 3.8851 8.4107 120.6161 55.3740 18.3554 179.8163 126 D 4.1910 7.9463 116.6994 57.4244 40.9081 178.7301 127 A 3.9236 7.7619 120.8125 54.9825 18.3569 179.2931 128 Q 3.1229 7.8334 118.5047 58.7304 28.9257 178.4977 129 G 3.5277 8.1339 106.8612 47.4987 0.0000 175.6777 130 A 3.8495 8.0786 123.2259 55.0490 18.3260 179.4123 131 M 3.9779 8.3091 117.1084 58.7105 32.2854 177.9207 132 N 4.2930 8.5666 117.7025 56.5421 39.0426 176.6339 133 K 3.8113 8.2220 120.9443 59.5583 32.1998 178.6001 134 A 3.8243 8.0401 121.0787 55.0914 18.1643 179.6016 135 L 4.1082 8.2650 117.6573 57.7233 41.6471 179.4604 136 E 3.9735 8.6329 119.2575 59.0603 29.3283 179.0305 137 L 3.9236 8.2743 120.7407 58.1496 42.1547 178.4487 138 F 4.1266 8.4092 120.7031 61.7486 39.1785 177.4455 139 R 3.4641 8.2649 117.4577 58.8950 29.8244 178.9761 140 K 3.8510 8.2493 119.7605 59.6394 32.1991 178.6745 141 D 4.3153 8.1608 119.2008 57.3257 40.6548 178.8315 142 I 3.4298 7.6609 120.4936 64.1049 37.0558 178.3168 143 A 3.7048 8.1016 121.8307 54.9520 18.2209 179.5937 144 A 3.9667 7.8376 119.4270 55.1995 18.3808 180.0729 145 K 4.0340 8.0264 117.1503 59.6755 32.0981 179.0868 146 Y 4.3584 8.4565 117.5970 61.0502 37.7557 178.7458 147 K 3.9754 8.1460 120.2219 59.7020 32.1460 178.7983 148 E 4.0429 7.8989 117.0596 59.2429 29.4438 178.8331 149 L 4.2942 7.9934 117.6399 55.6250 41.8597 177.9203 150 G 4.0501 8.0102 107.1584 45.4269 0.0000 172.9794 151 Y 4.3164 7.9696 120.0355 59.2717 40.6087 176.4150 152 Q 3.1192 7.4864 116.6418 57.2149 27.4204 173.9566 153 G 2.8876 6.6893 114.0495 45.2691 0.0000 171.5732 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 0 M 8.30 4.46 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.89 4.24 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.28 4.38 0.00 0.97 0.80 0.60 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.45 4.57 0.00 4.08 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 4 E 8.77 4.35 0.00 2.20 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 0.00 2.43 2.52 0.00 5 G 8.09 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 6 E 8.07 3.92 0.00 1.95 1.72 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 2.22 2.26 0.00 7 W 8.10 4.37 0.00 3.53 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 8 Q 8.55 4.14 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.94 4.11 0.00 1.90 1.75 0.89 0.59 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 10 V 8.01 3.77 2.43 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 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.56 4.47 0.00 1.84 1.80 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.32 4.33 0.00 3.46 3.52 0.00 5.78 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 13 V 7.85 3.77 2.43 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 1.04 0.00 0.00 0.88 0.00 0.00 14 W 8.61 3.93 0.00 3.64 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 15 A 7.93 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 16 K 7.24 3.92 0.00 1.54 1.67 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.46 7.81 17 V 7.08 2.85 1.05 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 -0.09 0.00 0.00 0.47 0.00 0.00 18 E 7.53 3.85 0.00 1.99 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 0.00 2.16 2.08 0.00 19 A 7.55 4.25 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 20 D 7.96 4.60 0.00 2.69 2.50 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 21 V 7.93 3.50 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 1.06 0.00 0.00 0.83 0.00 0.00 22 A 7.96 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 23 G 8.26 3.85 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 0.00 0.00 0.00 24 H 8.27 4.19 0.00 3.26 3.23 0.00 5.82 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 25 G 8.34 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 26 Q 8.10 3.83 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 7.96 4.31 0.00 2.89 2.65 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 28 I 7.69 3.63 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.60 0.88 0.00 0.00 29 L 7.72 3.44 0.00 1.50 1.11 0.79 0.36 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 30 I 7.72 3.72 1.87 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 1.41 0.62 0.89 0.00 0.00 31 R 8.02 3.90 0.00 1.87 2.13 0.00 3.01 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 L 7.83 3.88 0.00 1.72 1.36 1.04 0.83 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 33 F 8.03 4.64 0.00 3.09 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 34 K 8.49 4.01 0.00 1.64 1.84 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.70 7.81 35 S 8.02 4.27 0.00 3.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.40 4.73 0.00 2.78 2.82 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 38 E 8.24 4.24 0.00 2.30 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 0.00 2.28 2.52 0.00 39 T 8.23 3.85 4.38 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 0.78 0.00 0.00 40 L 8.06 3.86 0.00 1.34 1.72 0.09 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.00 4.10 0.00 2.29 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 2.38 2.40 0.00 42 K 8.20 4.43 0.00 1.94 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.74 2.00 7.81 43 F 8.26 4.50 0.00 3.26 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.44 4.40 0.00 2.59 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 45 R 7.72 3.88 0.00 1.44 1.06 0.00 3.08 0.00 0.00 2.99 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.42 0.00 46 F 7.26 5.03 0.00 2.89 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 47 K 8.20 4.05 0.00 1.88 1.88 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.46 7.81 48 H 8.19 4.39 0.00 3.35 3.46 0.00 5.58 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.49 4.16 0.00 1.53 1.56 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.30 4.19 0.00 1.69 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.51 7.81 51 T 7.31 4.73 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 1.20 0.00 0.00 52 E 8.60 3.93 0.00 2.04 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 0.00 2.35 2.36 0.00 53 A 7.91 4.05 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 54 E 7.89 3.96 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 55 M 8.17 4.14 0.00 2.05 2.27 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 2.67 2.55 0.00 56 K 8.29 3.97 0.00 1.88 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.43 4.48 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 58 S 7.58 4.26 0.00 3.87 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 59 E 8.89 3.99 0.00 2.13 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 2.39 2.47 0.00 60 D 8.14 4.45 0.00 3.00 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 61 L 7.85 3.15 0.00 1.19 1.55 -0.23 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.84 3.91 0.00 1.84 1.90 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.13 4.05 0.00 2.09 1.92 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.47 7.81 64 H 8.55 4.44 0.00 3.58 3.55 0.00 5.79 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 65 G 8.27 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.70 3.60 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 1.12 0.00 0.00 0.95 0.00 0.00 67 T 7.91 3.87 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 1.28 0.00 0.00 68 L 8.13 3.94 0.00 1.79 1.84 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.17 4.21 0.00 1.78 1.86 0.92 0.83 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 70 T 8.35 3.95 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 1.25 0.00 0.00 71 A 8.07 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 72 L 8.03 3.73 0.00 1.65 1.79 0.33 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.43 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 74 A 7.80 4.05 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 75 I 7.26 3.87 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.83 0.88 0.00 0.00 76 L 7.83 3.99 0.00 1.21 1.55 -0.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.67 4.00 0.00 1.72 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.90 3.92 0.00 1.86 1.76 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.85 7.81 79 K 8.07 2.00 0.00 1.34 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.78 7.81 80 G 8.13 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 0.00 0.00 0.00 81 H 7.59 4.70 0.00 3.19 3.23 0.00 5.76 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 82 H 7.12 5.14 0.00 3.31 3.44 0.00 5.68 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 83 E 8.42 3.94 0.00 2.09 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 2.42 2.51 0.00 84 A 7.89 4.13 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 85 E 8.18 4.07 0.00 2.25 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 2.40 2.44 0.00 86 L 8.24 4.11 0.00 2.00 1.68 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.76 3.97 0.00 1.89 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.63 7.81 88 P 0.00 4.32 0.00 2.30 2.34 0.00 3.72 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 2.11 2.05 0.00 89 L 7.50 4.10 0.00 1.88 1.94 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.43 4.24 1.48 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 91 Q 8.41 3.93 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.22 4.07 0.00 4.02 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 93 H 8.69 4.13 0.00 3.63 3.63 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 94 A 7.92 2.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.53 3.93 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 1.11 0.00 0.00 96 K 7.44 4.02 0.00 1.53 1.52 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.34 7.81 97 H 7.89 4.22 0.00 3.00 3.16 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.21 0.00 1.79 1.83 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.21 1.15 7.81 99 I 8.05 4.36 2.12 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 1.53 0.95 1.16 0.00 0.00 100 P 0.00 4.44 0.00 1.95 1.98 0.00 3.25 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.48 0.00 101 I 8.12 3.63 1.81 0.00 0.00 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 1.40 1.09 0.82 0.00 0.00 102 K 7.96 3.63 0.00 1.70 1.64 0.00 0.97 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 0.72 7.81 103 Y 8.05 4.30 0.00 3.25 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 0.00 104 L 7.92 4.24 0.00 1.83 1.82 0.76 1.18 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 0.00 105 E 8.16 4.00 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 2.31 2.43 0.00 106 F 7.91 4.51 0.00 3.18 2.82 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 0.00 107 I 8.21 3.95 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 1.14 0.00 0.00 108 S 8.08 4.20 0.00 4.24 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 0.00 109 E 8.51 4.03 0.00 2.18 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 0.00 2.39 2.43 0.00 110 A 8.06 4.07 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 0.00 111 I 8.21 3.71 2.10 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 1.62 0.76 1.03 0.00 0.00 112 I 7.97 3.85 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.93 1.13 0.00 0.00 113 H 8.43 4.13 0.00 3.37 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.86 3.54 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 115 L 7.84 3.80 0.00 0.36 0.76 0.78 0.74 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 0.00 116 H 7.85 4.33 0.00 3.47 3.61 0.00 5.95 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 0.00 117 S 7.99 4.19 0.00 3.80 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 0.00 118 R 7.98 4.10 0.00 1.54 1.54 0.00 2.81 0.00 0.00 3.01 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 119 H 8.23 5.04 0.00 3.19 3.21 0.00 5.63 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 0.00 120 P 0.00 4.31 0.00 2.21 2.26 0.00 3.75 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 2.06 1.93 0.00 121 G 8.16 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 0.00 122 N 8.23 5.03 0.00 2.80 2.93 0.00 0.00 6.69 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.87 4.96 0.00 2.95 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 0.00 124 G 7.76 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.41 3.89 1.27 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 0.00 0.00 126 D 7.95 4.19 0.00 2.65 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 0.00 127 A 7.76 3.92 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 0.00 128 Q 7.83 3.12 0.00 1.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 129 G 8.13 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 0.00 130 A 8.08 3.85 1.27 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 0.00 0.00 131 M 8.31 3.98 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.57 4.29 0.00 2.89 2.92 0.00 0.00 6.85 6.31 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 0.00 133 K 8.22 3.81 0.00 1.92 1.57 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.38 7.81 134 A 8.04 3.82 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 0.00 135 L 8.26 4.11 0.00 1.76 1.82 1.00 0.88 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 0.00 136 E 8.63 3.97 0.00 2.14 1.99 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 2.34 2.62 0.00 137 L 8.27 3.92 0.00 1.84 1.96 1.02 1.20 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 0.00 138 F 8.41 4.13 0.00 3.09 3.26 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 0.00 139 R 8.26 3.46 0.00 2.07 1.85 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 140 K 8.25 3.85 0.00 1.76 1.99 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.16 4.32 0.00 2.85 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 0.00 142 I 7.66 3.43 1.22 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 0.88 -0.36 0.05 0.00 0.00 143 A 8.10 3.70 1.25 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 0.00 0.00 144 A 7.84 3.97 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 0.00 145 K 8.03 4.03 0.00 2.03 1.93 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.54 7.81 146 Y 8.46 4.36 0.00 3.30 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 0.00 147 K 8.15 3.98 0.00 1.88 1.96 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.90 4.04 0.00 2.20 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 2.36 2.50 0.00 149 L 7.99 4.29 0.00 1.81 1.72 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.01 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.97 4.32 0.00 2.55 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 0.00 152 Q 7.49 3.12 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 153 G 6.69 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00