NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8011 8.3549 109.7391 45.3918 0.0000 175.6717 *2 S 4.2397 8.5013 120.1037 58.4883 63.7877 172.1747 3 A 4.6564 7.9047 121.5318 50.1744 22.2697 174.0637 4 P 4.7120 0.0000 0.0000 62.6714 32.2139 176.1239 5 V 4.6419 8.8451 114.5078 59.9449 36.4139 174.4873 6 T 5.0255 8.7592 118.8623 61.7878 71.2737 173.2370 7 L 4.6443 9.1481 129.5792 54.3848 43.9257 175.1954 8 I 4.8150 8.8450 126.9257 59.5887 40.2377 174.0874 9 N 4.6616 9.2288 126.1605 50.8638 40.9574 170.6484 10 P 4.5001 0.0000 0.0000 61.9428 33.1350 174.9283 11 F 5.0058 9.3280 122.6696 55.6088 41.6836 175.0584 12 K 4.5328 8.9564 122.9771 55.4399 32.2773 175.8111 13 V 4.3900 8.2126 124.4555 60.2245 32.8594 173.8495 14 P 4.2950 0.0000 0.0000 62.1862 31.8792 175.5357 15 A 4.0933 8.4523 123.7264 54.2309 18.4723 177.3614 16 D 4.5352 8.9287 119.8801 54.7226 40.1358 173.8952 17 K 4.6122 7.8614 116.3636 56.3602 32.9690 178.2137 18 L 3.9344 8.1887 122.8367 58.3760 41.9998 178.0569 19 E 3.9224 8.1619 118.5098 59.1734 29.6720 178.3280 20 A 4.0315 8.0475 120.1794 55.1130 18.3861 179.3131 21 A 3.9162 8.1090 119.1908 55.2918 18.4153 179.7300 22 I 3.7133 8.0854 118.7222 64.9135 37.2361 178.5858 23 E 4.9478 8.4064 120.5213 58.9093 29.3720 178.7199 24 Y 4.0777 8.3083 119.7950 60.4877 38.8592 177.9710 25 W 4.0614 8.6538 129.4082 60.5950 30.7936 177.6718 26 E 3.7307 8.9601 118.7084 59.3180 28.7461 179.1886 27 A 3.9005 7.9129 120.7212 55.4615 18.1743 179.4838 28 H 3.9120 7.5661 113.2476 58.8038 28.8186 177.5925 29 R 3.6745 7.3216 119.8143 59.4513 29.7850 177.9297 30 D 4.3779 7.8520 117.8355 57.0718 41.1145 178.4663 31 F 4.0791 7.6706 118.0789 58.8593 38.9605 176.4159 *33 A 2.5800 7.9380 120.2860 50.8824 19.9780 178.2278 34 Q 4.1224 7.3445 112.4059 56.2373 29.4378 175.8829 35 Q 4.4143 7.3088 118.0000 53.4997 30.2948 173.3689 36 P 4.3991 0.0000 0.0000 64.5470 31.9371 177.0294 37 G 4.2421 8.9856 110.2139 46.4911 0.0000 172.4501 38 Y 2.9520 7.4119 121.1200 57.2846 39.1744 174.2119 39 L 4.4436 7.0439 126.6824 55.5601 43.4683 176.5691 40 S 4.3608 6.5521 110.2122 58.1773 65.8408 173.4263 41 T 5.0964 8.2462 113.6055 61.1226 70.8164 173.0952 42 Q 4.3862 9.2601 124.4088 54.1609 32.5173 173.9436 43 L 4.4719 8.4056 127.2073 54.4265 42.8821 175.3224 44 H 4.8538 9.2099 124.3062 54.2367 31.0587 173.6192 45 Q 5.1611 8.4082 123.6361 53.9035 31.4172 175.2196 46 S 4.3141 8.8596 121.5968 58.5314 63.7110 175.6721 47 I 3.7065 8.5327 123.3321 63.5961 37.4984 175.7382 48 D 4.7168 7.8536 120.5649 52.3105 41.7549 176.5041 49 E 4.1633 8.9028 127.8970 58.5217 29.8201 177.2150 50 G 3.8427 8.7207 106.0865 45.3525 0.0000 173.9462 51 A 4.1042 7.6201 123.1172 52.3613 19.0452 178.0610 52 T 3.6823 8.5547 117.6030 66.2315 68.7184 174.3235 53 Y 5.1868 7.3724 121.0714 55.3997 38.4732 176.0226 54 Q 4.4674 8.5222 124.7663 57.1576 30.3588 176.0697 55 L 5.3558 7.8187 116.6375 52.8845 45.8482 175.8824 56 I 5.0424 8.8373 123.3549 59.7366 41.0438 173.8915 57 N 5.1439 9.2359 126.7178 52.6903 40.9181 174.1065 58 V 4.8728 8.9155 124.4922 61.3300 34.3843 173.8825 59 A 5.2599 9.2399 129.9895 50.1413 22.7034 174.4427 60 I 4.9476 8.5283 121.0462 59.3234 40.0122 175.0082 61 W 5.0508 8.9785 125.9726 54.6300 32.0865 176.5038 62 Q 4.1969 9.5010 124.7349 59.2121 29.7697 176.0613 63 S 5.0105 7.9069 110.4391 56.7127 65.7907 175.2166 64 E 3.5509 8.9103 120.8022 59.4815 29.0645 179.3482 65 A 4.1412 8.0462 120.0857 55.4751 18.2592 179.1920 66 D 4.3432 8.2585 117.1931 57.4732 40.9160 178.8054 67 F 2.5320 7.8818 120.9560 61.0902 39.2620 176.7906 68 Y 4.1579 7.8525 116.5453 61.0810 37.6081 178.5460 69 Q 3.9712 8.3400 118.9605 58.9536 28.6047 178.8797 70 A 3.9923 7.5335 120.4016 55.0115 18.4901 179.1963 71 A 3.8665 7.4774 118.7364 55.1162 18.1139 179.3493 72 Q 4.0616 7.9697 118.0647 59.0293 29.1888 180.1393 73 K 3.9358 7.9083 119.6502 56.4433 31.6328 179.2730 *75 R 4.2421 8.0406 120.0496 56.4065 32.2328 178.1086 76 Q 3.8428 7.7595 116.7984 59.0666 29.3225 177.1318 77 A 4.0171 7.9172 119.5553 54.5971 18.3650 178.1740 78 L 4.4722 7.5708 111.3157 54.0130 44.3110 177.3904 79 G 3.6286 8.0099 113.0207 45.9462 0.0000 177.0440 *84 E 3.9538 9.1670 114.5444 56.8506 31.2825 177.8299 85 G 3.9858 8.9272 113.0225 44.2028 0.0000 172.8852 86 L 4.4447 6.7821 119.9650 54.2443 42.7181 175.1460 *88 G 3.6140 8.0741 109.3131 45.7750 0.0000 172.9099 89 N 5.1144 8.4913 115.6450 52.0102 38.6122 172.4698 90 P 4.7467 0.0000 0.0000 63.0120 33.0205 177.2108 91 A 4.6717 8.7550 122.4043 50.8257 23.0817 174.9476 92 L 4.9460 8.0821 118.8568 53.8475 43.6182 175.6965 93 Y 4.8094 8.9429 118.4859 56.6419 42.8484 174.2583 94 R 5.0040 8.4586 118.5901 54.2645 34.2979 175.4487 95 V 3.8814 8.4422 121.6128 62.6053 32.0992 175.8047 96 I 4.4428 8.3448 119.2656 61.0500 39.4906 175.6261 97 R 4.7468 7.6278 118.0531 54.8387 34.0876 174.8285 98 T 4.2004 8.2381 109.4297 61.9824 68.9552 173.7133 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 G 8.35 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 *2 S 8.50 4.24 0.00 3.92 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 3 A 7.90 4.66 1.21 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 0.00 0.00 4 P 0.00 4.71 0.00 1.96 2.03 0.00 3.68 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 5 V 8.85 4.64 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 0.72 0.00 0.00 0.85 0.00 0.00 6 T 8.76 5.03 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 1.27 0.00 0.00 7 L 9.15 4.64 0.00 1.45 1.69 0.87 1.06 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 8 I 8.84 4.81 1.52 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.87 0.73 0.00 0.00 9 N 9.23 4.66 0.00 2.72 2.62 0.00 0.00 6.54 7.87 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 10 P 0.00 4.50 0.00 0.49 1.39 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 11 F 9.33 5.01 0.00 3.10 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 12 K 8.96 4.53 0.00 1.92 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.69 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.67 7.81 13 V 8.21 4.39 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 0.82 0.00 0.00 0.99 0.00 0.00 14 P 0.00 4.30 0.00 2.20 1.96 0.00 3.66 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 15 A 8.45 4.09 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 D 8.93 4.54 0.00 2.80 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 17 K 7.86 4.61 0.00 1.87 1.73 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.46 7.81 18 L 8.19 3.93 0.00 1.75 1.66 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.16 3.92 0.00 2.13 1.94 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 2.39 2.54 0.00 20 A 8.05 4.03 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 21 A 8.11 3.92 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 22 I 8.09 3.71 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.76 0.99 0.00 0.00 23 E 8.41 4.95 0.00 2.10 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 2.56 2.35 0.00 24 Y 8.31 4.08 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 25 W 8.65 4.06 0.00 3.33 3.40 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 26 E 8.96 3.73 0.00 2.27 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 2.64 2.92 0.00 27 A 7.91 3.90 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 28 H 7.57 3.91 0.00 2.95 3.24 0.00 5.87 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.32 3.67 0.00 0.67 1.33 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 30 D 7.85 4.38 0.00 2.73 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 31 F 7.67 4.08 0.00 3.02 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 *33 A 7.94 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.34 4.12 0.00 1.86 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 35 Q 7.31 4.41 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.04 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 36 P 0.00 4.40 0.00 2.11 2.05 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 37 G 8.99 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 38 Y 7.41 2.95 0.00 2.17 2.59 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 39 L 7.04 4.44 0.00 1.41 1.49 0.89 0.70 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 40 S 6.55 4.36 0.00 3.74 3.77 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 41 T 8.25 5.10 4.48 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 1.68 0.00 0.00 42 Q 9.26 4.39 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 43 L 8.41 4.47 0.00 0.27 1.01 0.04 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.21 4.85 0.00 3.24 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.41 5.16 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 46 S 8.86 4.31 0.00 3.94 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 47 I 8.53 3.71 1.87 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 1.30 0.54 0.91 0.00 0.00 48 D 7.85 4.72 0.00 2.66 2.53 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 49 E 8.90 4.16 0.00 1.96 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 2.29 2.46 0.00 50 G 8.72 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 0.00 0.00 0.00 51 A 7.62 4.10 1.33 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 52 T 8.55 3.68 3.71 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 0.00 0.00 0.00 0.38 0.00 0.00 53 Y 7.37 5.19 0.00 3.03 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 54 Q 8.52 4.47 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 55 L 7.82 5.36 0.00 1.74 1.51 0.76 0.66 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 56 I 8.84 5.04 1.82 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 1.03 0.83 0.78 0.00 0.00 57 N 9.24 5.14 0.00 3.09 3.01 0.00 0.00 6.14 7.24 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 58 V 8.92 4.87 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 0.97 0.00 0.00 0.83 0.00 0.00 59 A 9.24 5.26 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 60 I 8.53 4.95 1.70 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 0.94 0.00 0.00 61 W 8.98 5.05 0.00 3.28 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 62 Q 9.50 4.20 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 63 S 7.91 5.01 0.00 4.03 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 64 E 8.91 3.55 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 2.22 2.32 0.00 65 A 8.05 4.14 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 66 D 8.26 4.34 0.00 3.08 3.23 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 67 F 7.88 2.53 0.00 2.30 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 68 Y 7.85 4.16 0.00 2.99 2.78 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 0.00 0.00 0.00 0.00 69 Q 8.34 3.97 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 70 A 7.53 3.99 1.21 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 0.00 0.00 71 A 7.48 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.97 4.06 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 73 K 7.91 3.94 0.00 2.24 2.10 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.74 7.81 *75 R 8.04 4.24 0.00 2.03 1.98 0.00 3.11 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 76 Q 7.76 3.84 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 77 A 7.92 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.57 4.47 0.00 1.33 1.39 0.36 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.01 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 *84 E 9.17 3.95 0.00 2.03 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 0.00 2.13 1.89 0.00 85 G 8.93 3.99 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 0.00 0.00 0.00 86 L 6.78 4.44 0.00 1.45 1.41 0.97 0.68 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 *88 G 8.07 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 89 N 8.49 5.11 0.00 2.65 2.56 0.00 0.00 7.24 8.32 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 90 P 0.00 4.75 0.00 2.22 2.11 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 91 A 8.75 4.67 1.12 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 92 L 8.08 4.95 0.00 1.34 1.39 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 8.94 4.81 0.00 2.94 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 94 R 8.46 5.00 0.00 1.65 1.80 0.00 3.21 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 95 V 8.44 3.88 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 0.81 0.00 0.00 0.93 0.00 0.00 96 I 8.34 4.44 1.88 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 1.44 0.84 0.93 0.00 0.00 97 R 7.63 4.75 0.00 1.76 1.81 0.00 3.31 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 98 T 8.24 4.20 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.