NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4924 8.3049 120.3283 54.7005 33.8882 175.1277 2 V 4.4376 8.2190 110.3354 56.7443 36.1491 175.1180 3 D 4.3943 8.7395 121.3480 56.3049 40.1465 177.9294 4 L 3.9674 7.9955 121.5654 58.1551 41.7306 178.5423 5 E 4.0522 7.7008 117.1564 59.2234 29.3801 178.7143 6 Q 3.9912 7.8054 118.8210 57.8295 29.4610 176.3546 7 E 3.7857 7.3620 119.2128 54.7753 30.3526 176.4676 8 F 4.1222 6.7465 117.1814 57.1034 38.3737 174.4043 9 A 4.7795 8.4941 126.2353 49.9552 21.0866 176.5088 10 L 4.1976 8.8757 125.2644 57.4120 42.2557 178.1003 11 G 4.2401 7.1955 105.3642 45.6176 0.0000 173.2565 12 G 3.9406 8.3112 111.1092 44.3570 0.0000 173.7315 13 R 4.7565 8.1261 117.1168 55.5759 32.1124 176.3874 14 V 4.9889 8.6490 113.2166 59.7283 36.3700 174.6111 15 L 5.3224 9.0614 122.3213 52.9686 45.3640 175.4853 16 A 5.0780 9.0135 123.9435 50.2172 22.1685 174.4647 17 F 5.0538 9.0683 126.0727 57.3496 39.8353 175.3140 18 H 4.3131 9.8899 124.1872 55.3482 28.8771 176.4215 19 G 4.1027 6.6704 114.8677 45.8131 0.0000 171.8216 20 P 4.3646 0.0000 0.0000 64.3542 32.1963 175.6822 21 L 4.5576 7.3642 118.6570 54.2774 45.0798 172.5890 22 M 4.9386 7.7364 118.4517 54.2262 35.0648 173.0236 23 Y 5.2933 8.7221 120.0965 56.4107 43.4663 174.1364 24 E 4.6247 9.1108 119.4286 56.3882 31.3142 175.8527 25 A 5.0171 9.0092 123.5376 50.5859 23.8209 175.5066 26 K 4.7426 8.4343 120.6003 55.1025 34.9170 175.6309 27 I 4.4762 7.5938 130.9499 62.5424 37.5877 175.3243 28 L 4.7726 8.7259 121.5385 56.1900 47.8973 174.9570 29 K 5.2776 8.2391 120.3632 54.4529 35.7623 175.0902 30 I 5.3831 9.3462 119.5415 59.3829 41.7694 173.6092 31 W 5.5229 8.9197 131.7793 56.2657 34.8011 173.0274 32 D 4.9136 6.9672 121.5197 52.0590 44.0842 174.4001 33 P 4.2952 0.0000 0.0000 64.6617 31.7215 177.6748 34 S 4.1573 8.2026 115.7798 61.0041 62.7114 175.0318 35 S 4.3777 7.3295 111.8316 56.9237 64.8086 173.5774 36 K 2.5822 6.8643 118.1081 56.4370 30.4070 173.4166 37 M 4.9295 6.1812 115.9506 54.3547 37.6465 175.0751 38 Y 5.3517 8.0153 118.8413 56.0638 41.6138 174.0935 39 T 5.1003 9.0384 108.0439 60.8079 72.6866 173.0094 40 S 5.3467 8.5493 117.2559 57.9423 67.8353 172.7230 41 I 5.1481 8.2346 114.2423 58.2168 40.9280 172.8667 42 P 4.8004 0.0000 0.0000 62.4609 29.3802 176.6335 43 N 4.5151 8.3592 118.1950 56.0746 40.1509 172.9681 44 D 4.6442 7.2924 114.9865 54.5057 43.7684 173.5644 45 K 4.3701 8.2238 118.9620 53.7613 32.9311 174.4115 46 P 4.6856 0.0000 0.0000 61.5274 31.9315 177.4603 47 G 3.7962 8.8125 105.1843 46.0795 0.0000 175.1766 48 G 4.2036 7.9005 107.3567 44.5280 0.0000 173.8797 49 S 4.7530 7.9083 114.2224 56.1322 67.0558 174.7288 50 S 4.2541 8.9429 118.6142 60.9795 63.1006 174.1242 51 Q 4.6357 7.2546 114.7719 54.8817 30.0800 173.5913 52 A 4.3699 8.2354 122.5823 52.3282 19.6902 177.3459 53 T 4.3685 8.2695 110.8584 59.6668 71.2105 174.6097 54 K 3.8372 9.1522 121.3064 57.7928 32.5413 179.3603 55 E 3.7803 7.7352 115.9882 57.7756 27.0282 175.0144 56 I 3.9764 8.3607 127.6928 61.6451 38.1731 176.5099 57 K 4.2219 8.3775 124.1362 55.0259 32.8138 175.2498 58 P 4.3425 0.0000 0.0000 62.4953 31.7133 175.6367 59 Q 4.4567 7.2511 121.6673 53.8601 32.2661 174.3083 60 K 4.1693 8.4244 122.3438 56.2846 32.6982 177.0597 61 L 4.5352 8.5422 125.0902 55.9518 42.8059 176.0609 62 G 4.3332 9.1609 112.4146 45.3317 0.0000 175.0828 63 E 4.1582 8.5140 121.6822 58.8659 29.6548 177.7672 64 D 4.6224 8.3411 112.5382 54.3087 43.8547 173.8394 65 E 4.8809 7.9633 117.0609 55.4246 32.6108 174.7095 66 S 4.6655 8.3129 114.8178 57.2023 66.8884 174.0837 67 I 4.3794 7.7686 117.1220 58.0144 39.9905 173.5404 68 P 4.4345 0.0000 0.0000 62.1125 32.2959 177.0247 69 E 3.9938 8.6319 118.1757 58.9529 29.5660 179.4811 70 E 4.1393 8.2178 117.9980 58.3167 29.6182 177.4138 71 I 4.5018 7.6231 109.0635 60.3654 39.2375 176.7584 72 I 3.8141 7.7586 122.6254 64.9394 36.9802 177.1891 73 N 4.8085 7.7827 112.9430 53.6062 38.1130 174.3203 74 G 4.3148 7.6567 105.3410 44.7193 0.0000 173.0148 75 K 4.3475 8.7232 119.0952 56.7694 32.9973 176.9265 76 S 5.0097 8.5146 119.3620 56.9348 68.1396 173.3455 77 F 5.1157 8.8148 119.9495 56.0285 43.1728 173.6744 78 F 4.9898 9.5742 128.3916 57.7359 39.8809 174.3737 79 I 4.8478 7.6223 118.3919 59.3920 41.6275 173.3801 80 H 5.0794 8.4527 123.4755 53.9557 31.2831 173.6156 81 Y 4.4717 8.5412 124.4441 58.3019 38.0922 175.6672 82 Q 4.3956 9.3001 124.1762 55.7117 30.7822 176.9732 83 G 3.8568 9.0380 109.0228 45.8631 0.0000 172.7944 84 W 5.6376 7.6013 118.0869 54.3936 33.1313 174.8988 85 K 4.4714 9.0557 118.5053 56.5750 32.2478 178.5863 86 S 4.6738 8.5645 115.4271 60.4765 63.2232 176.8338 87 S 3.9999 7.9825 116.1054 61.2390 62.4854 175.1773 88 W 4.5237 7.4338 116.0438 57.1627 28.6840 175.8091 89 D 4.4625 8.1063 120.4183 54.4087 41.1932 175.1105 90 E 4.8109 8.2843 123.1546 55.3583 33.5097 173.3549 91 W 6.0246 8.9822 121.6453 54.7749 31.3208 176.3051 92 V 4.7106 8.5710 114.4374 59.5885 35.4647 175.4621 93 G 4.2471 8.6798 109.9760 45.6109 0.0000 173.8226 94 Y 5.0459 8.4189 118.6164 58.0094 38.6282 176.1928 95 D 4.5804 8.1750 118.4717 56.3810 42.0921 176.7318 96 R 4.5009 8.5626 117.6805 56.9455 32.1948 176.3057 97 I 4.8877 7.7061 117.9812 59.7943 40.4953 174.7185 98 R 4.2565 8.6893 124.8527 54.1379 34.8336 174.5221 99 A 4.5666 8.6305 123.9218 51.8000 19.3596 176.9072 100 Y 4.0911 8.6510 123.0943 58.2610 39.3585 175.2142 101 N 4.7256 8.0267 122.4304 50.3912 40.2184 174.8629 102 E 3.7788 8.6349 119.1498 59.3657 29.4810 178.5215 103 E 3.8097 8.1984 119.2447 59.3326 29.7043 178.6285 104 N 4.2231 7.8428 116.0168 56.1834 38.6061 177.3786 105 I 3.6309 7.4932 121.1830 64.0439 37.1190 178.2832 106 A 3.9211 8.1286 122.0213 55.1060 18.1777 179.2059 107 M 3.7133 7.8831 116.6707 58.5941 32.2920 178.2411 108 K 3.7506 8.1127 119.9477 59.5392 32.2367 178.6563 109 K 3.9794 8.3707 120.2203 59.1895 32.0391 178.6420 110 R 3.8320 7.9551 119.0772 59.5413 29.9285 178.5921 111 L 3.9317 7.9648 118.3779 57.6636 41.7303 179.1316 112 A 3.9982 8.5268 120.8400 54.6342 17.8935 179.1304 113 N 4.5003 7.4658 113.9943 55.9889 39.4029 177.2910 114 E 4.2117 8.2309 118.0530 58.4740 29.5820 177.7299 115 A 4.6922 8.0360 117.8959 51.5611 20.9363 177.7442 116 G 4.0202 7.8330 106.7274 45.4483 0.0000 173.0983 117 S 4.7523 7.5194 117.9545 57.2323 66.9083 174.7931 118 T 3.9339 8.5047 111.5235 62.7727 68.9118 176.4017 119 G 3.9387 8.1668 108.1271 46.2299 0.0000 174.8376 120 S 4.4618 7.3521 116.2586 57.4067 61.3761 173.2351 121 A 4.7653 7.2537 123.3816 49.9016 22.6189 175.6794 122 P 4.3316 0.0000 0.0000 63.7727 30.9416 177.0119 123 A 4.6259 7.7836 119.0255 51.3840 19.6293 177.7254 124 T 3.6962 8.5399 116.3838 62.8877 67.4268 172.9962 125 G 4.1504 8.0822 112.5144 43.7611 0.0000 175.5200 126 G 5.2702 7.0433 118.7456 45.3479 0.0000 172.5312 127 V 4.3587 7.2264 123.4337 60.7636 32.5106 177.1354 *129 K 4.2105 8.5514 116.9809 55.7526 31.6847 173.3891 130 P 4.7227 0.0000 0.0000 63.4509 32.2690 177.1824 131 H 4.2979 8.4936 115.1459 58.7101 28.1841 175.3201 132 R 4.4935 7.5421 112.8289 55.0458 31.7652 173.0774 133 Y 4.8061 7.4696 116.1727 56.8157 40.5558 174.4374 134 R 4.1704 8.4265 119.5182 56.8834 30.1579 174.4038 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.49 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 2 V 8.22 4.44 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 0.77 0.00 0.00 0.94 0.00 0.00 3 D 8.74 4.39 0.00 2.85 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 4 L 8.00 3.97 0.00 1.78 1.72 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.70 4.05 0.00 2.10 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 0.00 2.39 2.34 0.00 6 Q 7.81 3.99 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 7 E 7.36 3.79 0.00 2.08 1.67 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 2.14 2.15 0.00 8 F 6.75 4.12 0.00 3.06 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 9 A 8.49 4.78 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 10 L 8.88 4.20 0.00 1.70 1.79 0.99 1.10 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 11 G 7.20 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 12 G 8.31 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 13 R 8.13 4.76 0.00 1.67 1.92 0.00 2.25 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 14 V 8.65 4.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 15 L 9.06 5.32 0.00 1.50 1.53 0.85 0.81 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 16 A 9.01 5.08 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 17 F 9.07 5.05 0.00 2.79 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 18 H 9.89 4.31 0.00 3.15 3.29 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 6.67 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 20 P 0.00 4.36 0.00 2.35 2.21 0.00 3.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 21 L 7.36 4.56 0.00 1.88 1.43 1.12 0.79 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 22 M 7.74 4.94 0.00 1.84 1.77 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 23 Y 8.72 5.29 0.00 3.17 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 24 E 9.11 4.62 0.00 2.13 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 0.00 2.47 2.51 0.00 25 A 9.01 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.43 4.74 0.00 1.75 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.56 7.81 27 I 7.59 4.48 1.98 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 1.47 0.71 1.16 0.00 0.00 28 L 8.73 4.77 0.00 1.82 1.87 1.06 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.24 5.28 0.00 1.78 1.54 0.00 0.61 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.67 7.81 30 I 9.35 5.38 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 1.13 0.00 0.00 31 W 8.92 5.52 0.00 3.31 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 32 D 6.97 4.91 0.00 2.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.30 0.00 2.16 2.31 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 34 S 8.20 4.16 0.00 3.72 3.86 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 35 S 7.33 4.38 0.00 3.54 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 36 K 6.86 2.58 0.00 1.74 1.85 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.37 7.81 37 M 6.18 4.93 0.00 1.75 1.64 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 38 Y 8.02 5.35 0.00 3.67 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 39 T 9.04 5.10 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 1.18 0.00 0.00 40 S 8.55 5.35 0.00 3.86 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 41 I 8.23 5.15 1.91 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 1.35 0.58 0.96 0.00 0.00 42 P 0.00 4.80 0.00 2.12 2.19 0.00 3.39 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 43 N 8.36 4.52 0.00 2.86 2.86 0.00 0.00 6.51 8.51 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 44 D 7.29 4.64 0.00 2.72 2.46 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 45 K 8.22 4.37 0.00 1.68 1.63 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.31 1.62 7.81 46 P 0.00 4.69 0.00 2.30 2.14 0.00 3.97 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 2.24 2.25 0.00 47 G 8.81 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 0.00 0.00 0.00 48 G 7.90 4.20 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 0.00 49 S 7.91 4.75 0.00 3.83 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 50 S 8.94 4.25 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.25 4.64 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.04 0.00 0.00 0.00 0.00 0.00 2.11 2.24 0.00 52 A 8.24 4.37 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 53 T 8.27 4.37 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 54 K 9.15 3.84 0.00 1.78 1.82 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.46 7.81 55 E 7.74 3.78 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 56 I 8.36 3.98 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 1.02 0.00 0.00 57 K 8.38 4.22 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.49 7.81 58 P 0.00 4.34 0.00 1.88 1.80 0.00 3.62 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 59 Q 7.25 4.46 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 60 K 8.42 4.17 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.39 7.81 61 L 8.54 4.54 0.00 2.17 1.80 0.15 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.16 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 0.00 0.00 0.00 0.00 63 E 8.51 4.16 0.00 1.99 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 2.31 0.00 64 D 8.34 4.62 0.00 2.53 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 65 E 7.96 4.88 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 66 S 8.31 4.67 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.77 4.38 1.22 0.00 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.01 -0.13 0.00 0.00 68 P 0.00 4.43 0.00 2.20 2.19 0.00 3.59 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 2.02 1.96 0.00 69 E 8.63 3.99 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 70 E 8.22 4.14 0.00 1.94 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 2.31 2.24 0.00 71 I 7.62 4.50 1.85 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 1.23 0.28 0.95 0.00 0.00 72 I 7.76 3.81 2.03 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 1.16 0.83 1.05 0.00 0.00 73 N 7.78 4.81 0.00 2.95 2.88 0.00 0.00 7.14 7.56 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 74 G 7.66 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 0.00 0.00 0.00 0.00 75 K 8.72 4.35 0.00 1.78 1.73 0.00 1.04 0.00 0.00 1.67 0.00 0.00 2.24 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.47 1.25 7.81 76 S 8.51 5.01 0.00 3.61 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.81 5.12 0.00 3.11 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 78 F 9.57 4.99 0.00 1.62 2.61 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 79 I 7.62 4.85 1.52 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.42 0.90 0.00 0.00 80 H 8.45 5.08 0.00 3.14 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.54 4.47 0.00 2.90 2.87 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 82 Q 9.30 4.40 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.00 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 83 G 9.04 3.86 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 0.00 0.00 0.00 84 W 7.60 5.64 0.00 3.33 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 85 K 9.06 4.47 0.00 1.77 1.74 0.00 1.68 0.00 0.00 1.92 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.72 1.83 7.81 86 S 8.56 4.67 0.00 3.94 4.18 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 87 S 7.98 4.00 0.00 3.08 3.50 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 88 W 7.43 4.52 0.00 3.24 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.11 4.46 0.00 2.67 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.28 4.81 0.00 2.33 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 2.48 2.64 0.00 91 W 8.98 6.02 0.00 3.10 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.57 4.71 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 1.13 0.00 0.00 1.09 0.00 0.00 93 G 8.68 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 0.00 0.00 0.00 94 Y 8.42 5.05 0.00 3.34 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 95 D 8.17 4.58 0.00 2.72 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 96 R 8.56 4.50 0.00 1.83 1.93 0.00 3.15 0.00 0.00 2.98 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 97 I 7.71 4.89 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 1.40 0.00 0.00 98 R 8.69 4.26 0.00 1.65 1.49 0.00 3.11 0.00 0.00 2.95 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.28 0.00 99 A 8.63 4.57 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 0.00 100 Y 8.65 4.09 0.00 3.04 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 0.00 101 N 8.03 4.73 0.00 2.87 2.97 0.00 0.00 6.07 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 0.00 102 E 8.63 3.78 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 103 E 8.20 3.81 0.00 2.02 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 0.00 2.20 2.25 0.00 104 N 7.84 4.22 0.00 2.61 2.67 0.00 0.00 6.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 7.49 3.63 1.82 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.53 0.83 0.00 0.00 106 A 8.13 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 M 7.88 3.71 0.00 1.93 1.74 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 1.94 2.22 0.00 108 K 8.11 3.75 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 109 K 8.37 3.98 0.00 1.80 1.78 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 110 R 7.96 3.83 0.00 2.02 1.91 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 111 L 7.96 3.93 0.00 1.78 1.66 0.46 0.65 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 0.00 112 A 8.53 4.00 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 0.00 113 N 7.47 4.50 0.00 2.89 2.86 0.00 0.00 7.30 8.33 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 0.00 114 E 8.23 4.21 0.00 1.93 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 2.47 2.46 0.00 115 A 8.04 4.69 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 0.00 116 G 7.83 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 0.00 117 S 7.52 4.75 0.00 3.83 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 0.00 118 T 8.50 3.93 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 1.19 0.00 0.00 119 G 8.17 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 7.35 4.46 0.00 4.08 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 0.00 121 A 7.25 4.77 1.23 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 0.00 0.00 122 P 0.00 4.33 0.00 2.07 2.12 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 123 A 7.78 4.63 1.26 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 0.00 0.00 124 T 8.54 3.70 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 1.30 0.00 0.00 125 G 8.08 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 0.00 126 G 7.04 5.27 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 0.00 127 V 7.23 4.36 2.18 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 1.29 0.00 0.00 1.10 0.00 0.00 *129 K 8.55 4.21 0.00 2.03 1.91 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.56 7.81 130 P 0.00 4.72 0.00 2.09 1.92 0.00 4.03 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 131 H 8.49 4.30 0.00 3.33 3.58 0.00 5.55 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 0.00 132 R 7.54 4.49 0.00 1.75 1.74 0.00 2.99 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.45 0.00 133 Y 7.47 4.81 0.00 3.04 2.95 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 0.00 134 R 8.43 4.17 0.00 1.72 1.79 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.