NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4909 8.1927 115.5704 57.5617 65.1344 172.7008 3 V 4.8620 7.9633 118.1489 60.2674 34.4345 173.0241 4 I 4.6563 9.6634 127.3349 59.2540 42.2773 173.7722 5 K 4.4374 8.4747 126.9324 55.8286 33.3026 177.6977 6 I 3.5387 8.5267 123.2091 64.5207 37.5608 177.9636 7 E 3.4686 7.8065 117.5994 59.2343 29.5838 178.8462 8 K 4.0294 7.8226 118.7117 59.1210 32.4614 178.4991 9 A 3.8720 8.1233 121.3601 55.1806 18.1276 179.5543 10 L 4.2286 7.9444 115.6739 57.0805 41.7801 178.0993 11 K 4.4409 7.7157 116.4417 55.9420 32.4315 176.7306 12 L 4.1928 7.5506 120.0175 54.1951 42.1590 176.3947 13 D 4.3786 8.5607 122.1411 55.2519 42.5509 176.2509 14 K 3.9536 8.6478 124.5732 57.6598 29.3206 174.5431 15 V 4.9311 7.5189 116.7136 60.0116 34.3414 176.8296 16 I 4.3313 8.2858 122.7134 59.1681 41.1944 173.8019 17 F 4.9644 8.8326 127.3297 56.1251 41.2393 174.6538 18 V 4.6860 9.0450 123.7750 61.1167 33.9173 173.6666 19 D 3.7603 8.8663 129.1942 52.8821 42.2395 176.5230 20 V 4.0593 8.0365 119.0877 61.2371 32.5309 176.6972 21 R 4.2438 7.9713 122.0269 55.3498 30.8810 176.0145 22 T 4.0093 8.3810 110.0296 61.6798 70.4873 175.1646 23 E 4.0331 8.7020 121.0914 59.4385 29.2770 179.8156 24 G 3.6502 8.4247 105.7503 47.9669 0.0000 175.6650 25 E 3.9875 7.9817 121.0762 59.0763 29.3075 178.7296 26 Y 4.0035 7.9942 118.6527 60.8483 38.9398 177.7281 27 E 4.0456 8.3782 118.5752 59.1138 29.5602 178.7633 28 E 4.0397 7.6596 118.7342 57.9864 30.2615 176.6684 29 D 4.4849 7.0860 114.5572 53.7382 45.3534 174.3783 30 H 4.6700 7.9619 117.2281 53.6297 31.8755 172.9583 31 I 3.0307 8.3250 120.7794 60.3806 37.2123 175.9599 32 L 4.0214 7.5643 126.4367 56.7829 42.1473 177.0323 33 N 4.3938 9.1254 121.0758 53.4287 36.3200 174.2072 34 A 4.6799 8.2432 120.9275 52.1787 19.2430 177.4881 35 I 4.3538 8.5788 114.0745 59.5706 40.5585 174.5938 36 N 4.8894 7.9512 122.1376 50.3012 41.3150 171.7832 *38 P 4.3788 0.0000 0.0000 62.3547 32.3204 176.6648 39 L 3.7807 8.2698 122.8756 56.7544 41.6852 177.5750 40 F 5.2776 7.2565 114.6403 54.8551 42.2466 175.7116 41 K 4.2289 9.0603 123.7422 55.9627 33.7478 178.1877 42 N 4.3014 8.7410 118.9029 56.8969 38.5880 177.4448 43 N 4.3597 8.0578 117.5868 55.8473 37.4099 176.9261 44 E 3.4528 7.8847 120.3832 59.2086 29.5054 178.3425 45 H 3.8502 8.2455 118.2529 59.5794 29.8932 176.9609 46 N 4.2727 7.9469 117.7907 56.2125 38.2635 177.1161 47 E 3.9415 8.1125 120.6425 59.1210 29.6809 178.9303 48 V 3.5970 7.9708 118.6764 65.8562 31.5302 178.2222 49 G 3.6274 8.1221 105.4799 48.1937 0.0000 175.8526 50 T 3.9355 7.6442 117.1431 66.2710 68.5351 176.5740 51 I 3.8581 7.7378 120.7912 64.5339 37.5752 177.3971 52 Y 4.6639 8.2669 120.4702 60.6942 38.4023 177.9279 53 K 3.7743 7.7020 115.2592 58.1305 32.0354 177.1031 *55 Q 4.1465 8.0058 116.9523 54.8762 30.8750 175.5962 56 G 3.9263 7.8102 103.0944 44.3447 0.0000 174.1008 57 K 4.1559 8.8314 118.1457 59.8336 32.0924 177.8852 58 H 4.2164 8.3348 117.9205 59.6279 29.8719 176.9891 59 E 4.0140 8.2631 119.3907 59.0174 29.2737 179.0097 60 A 4.0465 7.9185 120.7603 54.9829 18.4448 179.7171 61 I 3.6100 8.1930 118.8130 64.5746 37.2523 178.4940 62 Q 4.1685 7.9390 118.3974 59.0924 28.6380 179.1079 63 K 4.0188 8.0939 120.5749 59.1372 32.1615 178.7520 64 G 3.9323 8.2428 106.3797 48.2570 0.0000 175.3522 65 F 4.2457 8.1706 120.5724 60.3984 38.6920 177.4741 66 D 4.4157 7.8367 117.2783 57.4877 40.6928 177.9286 67 Y 4.9932 7.7402 114.9907 59.1008 38.6574 176.6232 68 V 4.2472 8.0107 111.4551 60.6684 33.8529 177.8535 69 S 4.2948 8.3433 116.1567 61.5092 62.4735 175.9053 70 Y 4.3773 8.0771 119.7013 59.1837 38.5288 177.1104 71 K 3.9142 7.2226 119.4334 57.7119 32.2231 178.9523 72 L 3.9809 7.4427 119.0950 57.4117 41.5201 179.0179 73 K 3.9921 8.0324 119.2488 59.6426 32.1018 178.1572 74 D 4.3483 8.0907 117.7721 57.2635 41.1422 178.1672 75 I 3.6142 7.6484 120.0525 64.3583 37.0655 177.5554 76 Y 4.0785 8.0905 120.3381 60.9308 38.7417 178.4078 77 L 3.7144 8.0778 119.6932 57.6708 41.6698 179.5989 78 Q 3.9159 8.3521 118.2801 58.7432 28.6217 178.5191 79 A 3.8893 8.0118 121.6464 54.9845 18.1824 179.4642 80 A 3.7304 7.6603 118.6752 55.1544 18.6409 179.1545 81 E 3.9699 7.8968 117.3562 59.4703 29.6889 179.0494 82 L 4.1449 8.0012 118.7907 57.8089 41.4444 179.3777 83 A 4.0532 7.9939 119.7825 54.8622 18.3192 179.3437 84 L 4.0848 7.6050 116.3097 56.9272 41.7044 177.5730 85 N 4.7363 8.1335 114.1731 52.8329 40.7854 174.2622 86 Y 4.7718 7.6062 114.1196 56.0514 41.2772 175.2293 87 D 4.6740 8.7506 123.1993 56.5351 41.9260 176.6787 88 N 5.1335 8.1858 115.2576 51.4114 43.1229 173.4527 89 I 4.7034 8.4980 123.4287 59.4680 40.7091 174.3630 90 V 4.7028 8.5278 127.9782 61.1347 33.7093 174.1562 91 I 5.0809 8.9262 129.7930 60.0142 39.3049 174.4938 92 Y 5.2725 8.8554 123.8443 55.7908 41.9651 174.1857 93 C 5.3634 8.4458 115.3613 57.1059 33.1131 173.4614 94 A 4.2385 8.9574 118.5291 55.2473 18.5455 179.9545 95 R 4.7179 7.9524 110.1932 55.3511 32.2180 175.6455 96 G 3.5654 8.4865 105.3757 46.8497 0.0000 175.1176 97 G 3.7226 7.5835 107.3100 46.8120 0.0000 176.7313 *99 R 4.1581 7.7102 117.3267 55.3321 32.4582 178.4950 100 S 4.3323 7.9224 112.4606 61.0443 63.1892 176.4890 101 G 3.5969 8.2553 109.7520 47.5184 0.0000 175.8946 102 S 4.1083 7.9201 116.3896 61.3339 63.0718 176.5017 103 I 3.6500 7.3160 122.4346 63.8214 36.7035 178.6901 104 V 3.5541 7.8949 119.0945 66.0536 31.5241 177.9111 105 N 4.3156 8.3032 116.3682 56.0602 38.4185 177.2463 106 L 3.9262 8.0422 121.6966 58.2142 42.3754 178.9174 107 L 4.0577 8.0463 119.0471 58.0272 41.6669 179.5840 108 S 4.4642 8.6882 114.9095 60.7634 62.0845 176.2635 109 S 4.2526 7.8028 115.7497 60.5704 62.9191 175.4009 110 L 4.4038 7.4615 120.2675 54.5116 41.6624 177.3113 111 G 3.8592 7.8977 107.5282 45.0657 0.0000 173.6898 112 V 3.7940 7.6123 120.3389 61.1797 31.4883 174.7158 113 N 4.5010 8.6238 126.5355 54.0531 38.1368 173.8685 114 V 4.7125 7.7036 117.4822 59.7420 36.1986 174.5644 115 Y 4.9980 8.7523 119.0330 56.3290 42.0926 174.4488 116 Q 4.8955 9.0150 124.0305 54.8321 31.2905 174.4644 117 L 4.6170 8.9232 129.4648 54.5731 43.2122 175.8264 118 E 4.1593 9.1103 129.1340 57.5612 30.0484 177.1426 119 G 3.8994 9.2400 113.7437 44.6465 0.0000 174.7506 120 G 4.2596 7.8628 108.6428 45.5495 0.0000 173.4618 121 Y 4.1508 9.1423 118.6380 60.8019 38.7142 179.2432 122 K 3.7403 8.3852 120.2436 59.8081 32.1983 178.4462 123 A 4.0229 7.8990 120.2935 55.1450 18.2145 179.0629 124 Y 3.9560 7.4498 116.6164 60.8966 38.9161 178.0995 125 R 3.6397 7.7849 119.2837 59.5893 29.6849 178.8785 126 N 4.3621 8.1576 115.8582 55.9306 38.2338 177.4266 127 F 4.0820 7.9716 121.7224 61.1763 39.5708 177.1586 128 V 3.3135 7.4385 116.8785 65.3748 31.4014 177.1177 129 L 4.3171 7.3985 115.4206 53.2598 41.9806 176.4779 130 E 3.8029 6.9631 120.0195 56.8927 29.9735 176.1972 131 Y 4.1600 8.5660 125.4577 57.8862 38.9000 174.7632 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.49 0.00 3.93 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.96 4.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 4 I 9.66 4.66 1.36 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.05 0.71 0.00 0.00 5 K 8.47 4.44 0.00 1.70 1.94 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.64 1.41 7.81 6 I 8.53 3.54 1.80 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 1.54 0.72 0.66 0.00 0.00 7 E 7.81 3.47 0.00 1.87 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 2.37 2.29 0.00 8 K 7.82 4.03 0.00 1.75 1.80 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 9 A 8.12 3.87 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 10 L 7.94 4.23 0.00 1.60 1.78 0.77 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.72 4.44 0.00 1.88 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.49 7.81 12 L 7.55 4.19 0.00 1.65 1.60 0.70 0.94 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 13 D 8.56 4.38 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.65 3.95 0.00 2.06 1.88 0.00 1.68 0.00 0.00 2.12 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.43 7.81 15 V 7.52 4.93 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 0.87 0.00 0.00 0.64 0.00 0.00 16 I 8.29 4.33 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.33 0.51 0.00 0.00 17 F 8.83 4.96 0.00 3.02 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 18 V 9.05 4.69 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 0.80 0.00 0.00 0.83 0.00 0.00 19 D 8.87 3.76 0.00 2.55 2.38 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 20 V 8.04 4.06 1.87 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 0.51 0.00 0.00 0.86 0.00 0.00 21 R 7.97 4.24 0.00 1.89 2.13 0.00 3.28 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 22 T 8.38 4.01 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 1.20 0.00 0.00 23 E 8.70 4.03 0.00 2.02 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 2.32 2.32 0.00 24 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 25 E 7.98 3.99 0.00 2.09 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 2.32 2.28 0.00 26 Y 7.99 4.00 0.00 2.78 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 27 E 8.38 4.05 0.00 2.04 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 2.42 2.56 0.00 28 E 7.66 4.04 0.00 1.92 2.12 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 2.33 2.35 0.00 29 D 7.09 4.48 0.00 2.63 2.63 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 0.00 0.00 0.00 0.00 30 H 7.96 4.67 0.00 3.16 2.93 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.33 3.03 1.39 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.10 -0.28 0.00 0.00 32 L 7.56 4.02 0.00 1.61 1.61 0.95 1.04 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 33 N 9.13 4.39 0.00 3.00 3.03 0.00 0.00 7.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.24 4.68 1.63 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.58 4.35 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.14 0.90 0.00 0.00 36 N 7.95 4.89 0.00 1.44 2.00 0.00 0.00 7.33 7.69 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 *38 P 0.00 4.38 0.00 2.12 2.13 0.00 3.26 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 39 L 8.27 3.78 0.00 1.34 0.60 0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.26 5.28 0.00 3.02 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 41 K 9.06 4.23 0.00 1.81 1.69 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 N 8.74 4.30 0.00 2.72 2.89 0.00 0.00 6.59 6.92 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 43 N 8.06 4.36 0.00 2.87 3.04 0.00 0.00 6.20 7.66 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 44 E 7.88 3.45 0.00 1.97 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 1.47 1.91 0.00 45 H 8.25 3.85 0.00 3.31 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.95 4.27 0.00 2.89 2.84 0.00 0.00 6.72 9.00 0.00 0.00 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 E 8.11 3.94 0.00 2.25 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 2.33 2.35 0.00 48 V 7.97 3.60 1.79 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 0.87 0.00 0.00 0.61 0.00 0.00 49 G 8.12 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.64 3.94 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 1.22 0.00 0.00 51 I 7.74 3.86 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.94 0.00 0.00 52 Y 8.27 4.66 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.70 3.77 0.00 1.77 1.92 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 *55 Q 8.01 4.15 0.00 2.24 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.24 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 56 G 7.81 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 57 K 8.83 4.16 0.00 2.15 1.98 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.55 7.81 58 H 8.33 4.22 0.00 3.31 3.35 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.26 4.01 0.00 2.09 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 2.39 2.38 0.00 60 A 7.92 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.19 3.61 2.09 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 1.51 0.82 1.09 0.00 0.00 62 Q 7.94 4.17 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 63 K 8.09 4.02 0.00 1.79 1.85 0.00 1.57 0.00 0.00 1.26 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.07 7.81 64 G 8.24 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 65 F 8.17 4.25 0.00 3.27 3.08 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 0.00 0.00 0.00 66 D 7.84 4.42 0.00 2.43 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.74 4.99 0.00 3.29 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 68 V 8.01 4.25 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 0.79 0.00 0.00 0.86 0.00 0.00 69 S 8.34 4.29 0.00 4.24 4.50 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 70 Y 8.08 4.38 0.00 3.16 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 71 K 7.22 3.91 0.00 1.63 1.61 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.86 0.21 7.81 72 L 7.44 3.98 0.00 1.74 1.71 0.98 0.61 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 73 K 8.03 3.99 0.00 1.85 1.85 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.55 7.81 74 D 8.09 4.35 0.00 2.83 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 75 I 7.65 3.61 1.98 0.00 0.00 0.71 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 0.55 0.85 0.00 0.00 76 Y 8.09 4.08 0.00 3.07 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 77 L 8.08 3.71 0.00 1.85 1.65 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.35 3.92 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 79 A 8.01 3.89 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 80 A 7.66 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.90 3.97 0.00 2.07 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 2.29 2.39 0.00 82 L 8.00 4.14 0.00 1.91 1.78 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.99 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.61 4.08 0.00 1.73 1.71 0.94 1.24 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 85 N 8.13 4.74 0.00 2.66 2.34 0.00 0.00 6.76 7.04 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 86 Y 7.61 4.77 0.00 2.93 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 0.00 87 D 8.75 4.67 0.00 2.82 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 88 N 8.19 5.13 0.00 2.62 2.71 0.00 0.00 6.94 7.30 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 89 I 8.50 4.70 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.83 0.00 0.00 90 V 8.53 4.70 1.01 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 0.83 0.00 0.00 0.52 0.00 0.00 91 I 8.93 5.08 1.88 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 1.24 0.55 0.85 0.00 0.00 92 Y 8.86 5.27 0.00 3.11 3.06 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 93 C 8.45 5.36 0.00 2.98 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 94 A 8.96 4.24 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 95 R 7.95 4.72 0.00 1.89 1.94 0.00 3.25 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 96 G 8.49 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 0.00 0.00 0.00 97 G 7.58 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 *99 R 7.71 4.16 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.42 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 100 S 7.92 4.33 0.00 4.06 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 0.00 101 G 8.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.92 4.11 0.00 3.99 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 0.00 103 I 7.32 3.65 1.80 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 1.48 0.68 0.84 0.00 0.00 104 V 7.89 3.55 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 1.12 0.00 0.00 0.97 0.00 0.00 105 N 8.30 4.32 0.00 2.94 2.85 0.00 0.00 6.70 6.26 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 0.00 106 L 8.04 3.93 0.00 1.83 1.65 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.05 4.06 0.00 1.78 1.72 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.69 4.46 0.00 3.83 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 0.00 109 S 7.80 4.25 0.00 4.09 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 0.00 110 L 7.46 4.40 0.00 1.85 1.67 0.79 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.90 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 0.00 112 V 7.61 3.79 2.20 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 0.87 0.00 0.00 1.00 0.00 0.00 113 N 8.62 4.50 0.00 2.62 2.69 0.00 0.00 7.01 7.71 0.00 0.00 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 V 7.70 4.71 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 0.77 0.00 0.00 0.87 0.00 0.00 115 Y 8.75 5.00 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 9.02 4.90 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 117 L 8.92 4.62 0.00 1.95 1.71 1.01 1.06 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 0.00 118 E 9.11 4.16 0.00 2.02 1.87 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 2.35 2.29 0.00 119 G 9.24 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 0.00 120 G 7.86 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 0.00 0.00 0.00 0.00 121 Y 9.14 4.15 0.00 3.32 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.39 3.74 0.00 1.95 2.06 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 123 A 7.90 4.02 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 0.00 124 Y 7.45 3.96 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.78 3.64 0.00 1.86 1.85 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.04 0.00 126 N 8.16 4.36 0.00 2.87 2.86 0.00 0.00 6.71 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 0.00 127 F 7.97 4.08 0.00 3.00 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 0.00 128 V 7.44 3.31 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.27 0.00 0.00 129 L 7.40 4.32 0.00 1.66 1.63 0.88 0.61 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 0.00 130 E 6.96 3.80 0.00 2.03 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 2.25 2.24 0.00 131 Y 8.57 4.16 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.