NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4P H 4.8036 8.4449 120.3918 55.6162 31.3798 173.1438 5P E 4.4947 7.5869 117.6922 52.4592 32.2106 175.1318 6P I 3.9178 8.8633 114.8205 62.0905 39.1880 175.5966 7P Y 4.1890 7.4161 118.0990 57.6585 38.3425 174.4702 8P D 4.3821 7.5376 119.6883 58.2396 40.4253 175.8877 9P G 4.0605 9.3449 115.8743 45.4197 0.0000 172.6052 10P H 4.6204 8.4917 118.2111 55.7103 29.9014 174.3870 11P A 5.0071 8.8643 124.3606 50.0402 22.4908 174.9840 12P V 4.2428 8.2223 120.9047 61.6701 33.2588 174.6026 13P Y 5.1579 8.6916 125.2588 56.2558 41.6892 174.6186 14P Q 4.9405 8.9923 123.0033 54.7440 31.6499 174.5277 15P V 4.7637 8.5721 121.0521 60.3195 33.5634 175.0304 16P D 5.0114 9.1188 126.3842 52.8771 41.8290 176.0982 17P V 4.3080 8.3519 117.1202 60.0432 33.4343 177.1287 18P A 4.1939 8.7340 127.1403 53.6538 20.0121 177.3659 19P S 4.8550 7.4699 108.8291 56.2125 67.4758 174.6799 20P M 4.1747 8.4178 120.0794 58.4440 31.5557 178.2092 21P D 4.3682 7.6596 118.3606 57.6760 41.2678 178.4859 22P Q 4.0957 7.8074 117.1643 58.4273 28.6281 178.4135 23P V 3.6348 7.5332 119.3753 65.9390 31.4881 178.0951 24P K 3.9984 7.9861 118.7088 59.3410 32.0781 177.9835 25P L 3.9980 7.7401 120.2606 58.7243 41.9696 179.3308 26P V 3.8403 8.4099 118.2394 66.0435 31.3793 177.5421 27P H 4.3246 8.1397 118.2361 59.5567 29.7579 177.0526 28P D 4.3593 8.2182 120.7100 57.1892 40.6084 178.5849 29P F 4.0186 8.0371 121.1907 61.3871 39.2890 176.9123 30P E 3.7731 8.3415 118.1581 59.5199 29.2370 179.3118 31P N 4.2451 7.7469 116.1319 56.4468 38.4568 177.3479 32P D 4.3416 7.9778 118.9753 56.4095 40.9784 177.5584 33P L 4.0335 7.3753 118.5364 54.1098 43.1875 175.6146 34P M 3.1312 7.4946 116.7478 57.0828 29.9520 176.3907 35P L 4.2810 7.7765 117.1040 54.0571 44.0644 178.6999 36P D 4.5633 8.1532 120.2649 53.5178 41.4464 175.4976 37P V 4.1971 8.2364 126.5008 61.8015 30.9199 175.4180 38P W 4.7490 8.8618 129.3320 59.4804 29.8460 177.3176 39P S 4.7861 8.4867 113.6281 56.7698 66.0576 173.7920 40P D 4.8191 8.8631 123.2609 54.2012 41.5055 175.8295 41P A 4.5571 8.6398 124.8000 51.8263 19.3755 177.3465 42P V 4.2580 8.1978 119.3602 59.7095 34.6566 172.2020 *48P P 4.5182 0.0000 0.0000 64.4199 31.9441 176.8518 49P G 4.0334 10.3455 112.2394 45.1905 0.0000 173.6073 50P R 4.6832 8.2230 120.3800 54.0540 31.7838 171.8575 51P P 4.5002 0.0000 0.0000 62.9668 32.3346 176.1499 52P G 4.4878 8.5819 108.3684 44.2362 0.0000 172.1620 53P K 5.4366 9.1473 119.3194 54.3928 35.5830 176.2068 54P V 4.5613 8.3244 122.7968 59.7620 35.4046 174.0351 55P L 4.2284 8.5239 126.7643 54.0497 43.2524 175.1605 56P V 4.0337 8.4310 127.5471 60.0983 33.7337 173.6666 57P P 4.0108 0.0000 0.0000 62.1298 32.1144 177.1905 58P K 3.7837 8.4062 121.4947 59.6704 32.1717 178.2439 59P F 4.9087 7.8237 114.1785 57.7865 38.8982 175.7364 60P K 4.6854 8.1848 118.4661 55.1512 34.3384 178.4135 61P R 3.9851 7.8882 118.4304 59.2718 29.7904 178.4836 62P E 4.0013 8.1570 118.5969 59.3887 29.6649 178.7556 63P I 3.8132 7.7772 119.4763 64.1168 36.9586 178.0505 64P F 4.4721 8.4971 121.8880 61.3771 39.4314 176.8085 65P E 3.1768 7.8843 115.5752 57.6959 29.4988 178.2657 66P N 4.2114 7.7487 119.2011 56.7277 39.1186 176.4940 67P F 3.8626 7.7565 122.0935 61.0953 39.3673 177.1227 68P L 3.6173 7.1456 118.4528 57.3642 41.1685 179.3384 69P K 3.9493 7.7993 119.7518 59.4892 32.0063 178.5249 70P Q 4.0240 7.4951 115.1495 57.9274 28.9294 177.2326 71P S 4.2509 7.3153 115.7087 57.8493 63.2415 174.8319 72P G 3.7460 7.3455 109.5941 45.7050 0.0000 173.0630 73P V 4.1521 7.4628 119.8214 61.0879 32.3360 176.0621 74P Q 4.3354 8.6814 127.3721 56.6053 29.8559 174.8135 75P Y 5.5176 7.5281 119.5755 56.2481 41.3760 173.5980 76P K 4.4630 8.8133 115.8580 55.9152 36.2814 174.1205 77P L 3.7771 8.8956 124.9355 55.7956 41.8198 175.7381 78P E 4.2790 8.7165 128.3710 57.8864 30.7677 176.5663 79P V 4.2436 7.2193 119.4301 61.1187 33.9614 175.6836 80P E 3.7609 9.0078 129.3891 58.2829 29.6868 175.6365 81P N 4.9246 7.7266 116.7530 50.9087 40.5211 174.7467 82P V 3.8516 8.7228 120.7879 63.1655 31.5363 178.2504 83P K 3.9764 8.2531 119.9754 59.6282 32.0207 178.2545 84P E 4.0160 7.9229 117.5742 59.5092 29.4104 179.3838 85P Q 4.0734 8.0101 117.7027 58.6418 28.8823 178.4261 86P L 4.0025 7.8157 120.1002 57.8547 41.6965 179.3545 87P E 4.0354 8.3688 118.5760 59.1351 29.2956 179.2286 88P L 3.9594 7.8009 120.3428 57.9220 42.1819 178.5302 89P E 3.8995 8.0271 118.8335 59.3917 29.5049 178.3581 90P D 4.3581 8.0077 118.8577 57.5451 40.8691 178.7481 91P Q 3.9378 8.0006 119.7803 59.3105 28.5874 178.3752 92P L 4.0459 8.3689 120.4248 57.6616 41.6402 179.4003 93P L 4.0862 8.6235 119.1115 57.3181 41.4706 179.2497 94P A 3.9937 8.3254 121.0152 55.0754 18.1196 179.5655 95P A 3.9471 7.9600 118.7559 55.0305 18.3010 179.7525 96P A 3.9385 7.8161 118.5896 55.0950 18.2228 179.6321 97P A 3.9696 7.9422 118.2852 54.7652 18.5187 179.3109 98P A 4.0984 7.4853 119.0634 54.5429 18.6636 178.9693 99P K 4.1665 7.5901 116.3475 57.6770 32.5919 176.4776 100P S 4.2490 7.5890 118.0726 58.6865 62.2824 173.3694 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 4P H 8.44 4.80 0.00 3.09 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5P E 7.59 4.49 0.00 2.08 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 0.00 2.13 1.83 0.00 6P I 8.86 3.92 1.49 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.78 0.00 0.00 7P Y 7.42 4.19 0.00 3.08 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 8P D 7.54 4.38 0.00 2.68 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 9P G 9.34 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10P H 8.49 4.62 0.00 3.45 3.32 0.00 5.76 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 11P A 8.86 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 12P V 8.22 4.24 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 0.70 0.00 0.00 0.38 0.00 0.00 13P Y 8.69 5.16 0.00 2.93 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 14P Q 8.99 4.94 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 15P V 8.57 4.76 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 1.03 0.00 0.00 1.06 0.00 0.00 16P D 9.12 5.01 0.00 2.55 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 17P V 8.35 4.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.94 0.00 0.00 18P A 8.73 4.19 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 19P S 7.47 4.85 0.00 4.01 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 20P M 8.42 4.17 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 21P D 7.66 4.37 0.00 2.75 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 22P Q 7.81 4.10 0.00 2.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 23P V 7.53 3.63 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 1.07 0.00 0.00 1.04 0.00 0.00 24P K 7.99 4.00 0.00 1.86 1.83 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 25P L 7.74 4.00 0.00 2.03 1.86 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 26P V 8.41 3.84 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 1.11 0.00 0.00 1.08 0.00 0.00 27P H 8.14 4.32 0.00 3.45 3.50 0.00 5.84 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 28P D 8.22 4.36 0.00 2.82 2.74 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 29P F 8.04 4.02 0.00 2.61 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 30P E 8.34 3.77 0.00 2.20 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 2.47 2.72 0.00 31P N 7.75 4.25 0.00 2.86 2.79 0.00 0.00 7.03 9.28 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 32P D 7.98 4.34 0.00 2.49 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 0.00 0.00 0.00 0.00 33P L 7.38 4.03 0.00 1.08 1.26 0.75 0.80 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 34P M 7.49 3.13 0.00 2.13 2.01 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 2.54 2.44 0.00 35P L 7.78 4.28 0.00 1.38 1.39 0.67 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 36P D 8.15 4.56 0.00 2.97 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 37P V 8.24 4.20 2.14 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 0.95 0.00 0.00 0.94 0.00 0.00 38P W 8.86 4.75 0.00 3.39 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 39P S 8.49 4.79 0.00 3.95 4.01 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 0.00 0.00 0.00 40P D 8.86 4.82 0.00 2.62 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 41P A 8.64 4.56 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 42P V 8.20 4.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 *48P P 0.00 4.52 0.00 2.10 2.25 0.00 3.76 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 49P G 10.35 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 50P R 8.22 4.68 0.00 1.87 1.79 0.00 3.14 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 51P P 0.00 4.50 0.00 2.17 2.29 0.00 3.83 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 2.03 2.17 0.00 52P G 8.58 4.49 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 0.00 53P K 9.15 5.44 0.00 1.86 1.71 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 54P V 8.32 4.56 1.88 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 0.62 0.00 0.00 0.74 0.00 0.00 55P L 8.52 4.23 0.00 0.95 1.40 0.82 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56P V 8.43 4.03 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 0.67 0.00 0.00 -0.12 0.00 0.00 57P P 0.00 4.01 0.00 2.15 1.83 0.00 3.50 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 2.04 1.98 0.00 58P K 8.41 3.78 0.00 1.62 1.31 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.37 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.01 1.27 7.81 59P F 7.82 4.91 0.00 3.08 2.98 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 60P K 8.18 4.69 0.00 1.85 1.73 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.41 7.81 61P R 7.89 3.99 0.00 1.97 2.14 0.00 3.14 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 1.80 1.89 0.00 62P E 8.16 4.00 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 2.42 2.44 0.00 63P I 7.78 3.81 1.97 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 1.58 1.08 1.04 0.00 0.00 64P F 8.50 4.47 0.00 3.01 3.12 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 65P E 7.88 3.18 0.00 1.60 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.27 0.00 66P N 7.75 4.21 0.00 3.09 3.01 0.00 0.00 6.67 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 67P F 7.76 3.86 0.00 2.63 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68P L 7.15 3.62 0.00 1.27 1.77 -0.14 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 69P K 7.80 3.95 0.00 1.98 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.62 7.81 70P Q 7.50 4.02 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.03 0.00 71P S 7.32 4.25 0.00 3.34 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72P G 7.35 3.75 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 0.00 0.00 0.00 73P V 7.46 4.15 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 0.85 0.00 0.00 0.91 0.00 0.00 74P Q 8.68 4.34 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.44 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 75P Y 7.53 5.52 0.00 3.05 2.88 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 76P K 8.81 4.46 0.00 1.81 1.83 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.30 7.81 77P L 8.90 3.78 0.00 1.64 1.62 0.37 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 78P E 8.72 4.28 0.00 2.02 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 2.27 2.25 0.00 79P V 7.22 4.24 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 0.98 0.00 0.00 0.94 0.00 0.00 80P E 9.01 3.76 0.00 1.91 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 2.26 2.25 0.00 81P N 7.73 4.92 0.00 2.76 2.62 0.00 0.00 7.23 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 82P V 8.72 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 83P K 8.25 3.98 0.00 1.94 1.89 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.77 7.81 84P E 7.92 4.02 0.00 2.10 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 2.36 0.00 85P Q 8.01 4.07 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 86P L 7.82 4.00 0.00 1.91 1.71 0.93 0.77 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 87P E 8.37 4.04 0.00 2.18 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 2.38 2.51 0.00 88P L 7.80 3.96 0.00 1.73 1.81 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 89P E 8.03 3.90 0.00 2.07 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 2.28 2.33 0.00 90P D 8.01 4.36 0.00 2.94 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 91P Q 8.00 3.94 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 92P L 8.37 4.05 0.00 2.00 1.69 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93P L 8.62 4.09 0.00 1.69 1.70 0.95 0.76 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 94P A 8.33 3.99 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 95P A 7.96 3.95 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 96P A 7.82 3.94 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 97P A 7.94 3.97 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 98P A 7.49 4.10 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 99P K 7.59 4.17 0.00 1.90 1.83 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 100P S 7.59 4.25 0.00 4.02 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 * Residues marked with a * may have inaccurate shift predictions.