NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7574 8.2833 118.1257 52.9528 39.0867 174.6171 3 D 4.2033 8.5051 125.0036 56.6858 40.9034 177.1331 4 K 3.9681 8.8443 119.9177 59.2560 32.4142 179.0961 5 K 3.9669 7.9419 118.1953 59.6969 32.1302 179.3645 6 I 3.7433 7.4690 119.7929 64.1240 37.0208 178.1888 7 E 3.9224 8.4704 120.5525 59.1662 29.5260 178.6797 8 L 3.9888 8.0033 120.2603 58.2261 42.1925 178.7404 9 L 4.0838 8.2791 119.3241 58.2616 41.5155 179.7837 10 T 3.9408 8.1526 115.5630 67.0258 68.1868 177.0135 11 T 4.0082 7.7324 116.3282 66.6383 68.8899 176.0788 12 Y 4.2018 8.6361 121.9699 60.8184 38.9141 178.1252 13 L 4.3136 8.4955 120.1534 57.4478 41.5338 179.0650 14 S 4.4647 7.7889 112.4130 60.2538 63.1919 175.6129 15 L 4.2311 8.0160 122.3493 55.5658 41.4857 175.5961 16 Y 5.2909 7.3851 115.5596 56.2138 40.8811 175.0461 17 I 4.4495 8.4328 120.4210 59.0125 41.7454 174.1113 18 D 4.8128 8.5660 128.6105 54.1994 42.0729 176.7843 19 H 4.5050 9.0002 120.9184 59.0721 28.4440 177.3561 20 H 4.1759 9.0533 121.7171 59.4329 29.5676 177.4264 21 T 3.8459 7.7678 117.1490 66.5382 68.1335 176.8264 22 V 3.6202 7.4547 118.8166 65.6806 31.6421 177.6435 23 L 4.2626 8.4142 119.3164 58.2985 42.2040 178.3122 24 A 4.5128 8.0712 122.1749 54.4485 18.1058 179.5292 25 D 4.6326 7.9810 115.6535 54.5471 41.3687 177.6678 *27 Q 4.3066 8.1242 115.9624 55.2332 30.4124 175.4818 28 N 4.7470 7.9676 114.4744 52.2058 39.2261 174.3322 29 A 3.8322 7.9955 119.4648 53.4094 16.2056 179.0586 30 T 3.8938 7.8055 118.5963 66.1424 68.9829 175.2652 31 G 3.9445 7.8433 108.7131 46.6069 0.0000 173.3517 32 K 4.1565 8.4451 119.5364 56.3957 34.3429 175.8168 33 Y 5.1419 7.8613 115.7919 56.0090 41.5845 175.1628 34 V 4.3568 8.6176 122.3348 61.1052 34.5836 174.3984 35 V 4.5459 8.4678 128.0526 62.0811 33.4090 174.2326 36 L 5.0119 9.2471 127.9926 52.9542 44.3274 175.1685 37 D 3.3700 8.8623 125.5643 52.9255 41.2625 175.6483 38 V 4.1577 7.6268 119.2802 61.1555 33.0164 176.9714 39 R 4.5529 7.9994 121.1849 55.6148 30.8283 176.0149 40 N 4.6071 8.5418 116.6695 52.5706 38.4761 175.5999 41 A 3.9508 8.8691 124.5193 55.0823 18.6364 177.9894 42 P 4.1877 0.0000 0.0000 65.9691 31.2737 178.3998 43 A 3.9543 7.9263 121.3670 54.8995 18.0291 178.8782 44 Q 4.2748 8.0122 112.8565 57.2171 28.9031 178.2779 45 V 3.7167 7.3959 118.1343 65.3123 31.6501 177.0388 46 K 4.1192 7.6954 117.6448 56.7665 32.0568 176.6979 47 K 4.2242 7.6436 116.8085 56.5241 30.0285 174.8848 48 D 4.9999 8.0071 113.0510 53.0188 40.1692 176.4325 49 Q 4.4048 7.9263 117.4394 56.4721 29.7501 175.1368 50 I 3.7479 8.2750 119.7664 60.4859 37.5470 175.9641 51 K 4.0488 8.2728 125.0901 58.4918 32.1496 177.1710 52 G 3.9088 9.8068 113.8332 45.4842 0.0000 173.3247 53 A 4.4354 8.1029 122.2204 51.9089 19.3564 177.3684 54 I 4.3098 8.7734 122.9725 59.9351 38.7339 175.7420 55 A 4.6616 8.3720 128.5121 50.7916 19.6193 174.8046 *57 P 4.5754 0.0000 0.0000 62.2863 32.6652 177.4834 58 A 3.9262 8.7497 127.8519 55.4232 18.3378 179.2315 59 K 4.3380 7.9545 110.9573 57.9499 33.0043 176.8467 60 D 4.7974 8.3772 119.0993 53.7457 43.0059 177.2896 61 L 3.7566 7.4624 121.4209 58.5274 41.6727 178.4850 62 A 3.9745 7.9516 119.3053 55.7929 18.2539 179.2988 63 T 4.0523 7.7692 112.7747 66.0437 69.0890 176.2611 64 R 4.4474 7.8131 117.7926 56.0283 30.1031 177.7047 65 I 3.8213 7.5794 119.5079 62.4870 37.7715 176.9923 66 G 3.9462 7.8280 106.5042 46.9862 0.0000 173.8520 67 E 4.4799 7.8193 117.9967 55.9203 29.9686 175.6675 68 L 4.5389 7.0688 118.3470 52.9755 43.3028 175.8215 69 D 4.6708 8.9283 123.0638 53.2621 41.4741 175.5163 70 P 4.7472 0.0000 0.0000 65.0496 31.5817 176.9091 71 A 4.2900 8.8110 121.2389 53.0479 18.9854 177.2267 72 K 4.4547 7.6690 114.6657 55.3479 34.1912 176.1705 73 T 4.7732 7.8459 118.8978 62.3816 70.6926 173.4038 74 Y 5.0513 8.8118 124.1775 56.5839 40.5882 174.8255 75 V 4.8986 8.8489 122.9531 61.4403 34.2241 174.9420 76 V 5.1508 8.7791 121.2741 59.6907 34.6717 174.4873 77 Y 5.0456 7.7005 118.2227 56.4003 41.3596 173.0805 78 D 5.4822 8.5458 121.1920 52.0608 44.6109 176.1198 79 W 4.5366 9.1674 115.3074 59.4664 29.1624 176.1295 80 T 4.6210 6.9612 112.7608 59.7450 69.8042 174.4089 81 G 3.6247 8.4896 114.4248 47.9060 0.0000 175.4021 82 G 3.5764 7.7648 108.1780 47.8824 0.0000 173.7079 83 T 4.3121 6.9707 109.9031 61.4221 70.2093 174.8788 84 T 4.4943 8.1208 109.2225 61.7041 69.3148 175.8481 85 L 4.0976 7.6536 122.1475 57.9708 41.4936 179.5316 86 G 3.5352 7.9583 105.3102 47.7779 0.0000 175.8893 87 K 3.9029 7.8939 120.6869 59.2260 32.1965 179.5319 88 T 3.8228 8.0895 115.9708 66.4621 68.3842 176.6165 89 A 3.9097 7.9671 122.6952 54.9985 18.3630 179.2616 90 L 3.8058 8.0437 119.1495 58.3234 42.0355 178.9700 91 L 3.9148 8.1979 120.5016 58.0264 42.0481 179.1710 92 V 3.5453 7.6101 117.6676 65.8932 31.4859 178.0382 93 L 3.9899 7.8858 118.5757 57.9838 41.6182 179.5884 94 L 4.2949 8.1601 120.5747 57.4631 41.2965 179.8499 95 S 4.2048 8.2164 114.1288 60.9272 62.8248 175.5602 96 A 4.4219 7.6552 120.7687 52.0667 18.5312 177.8700 97 G 3.7110 7.8477 105.5530 45.3772 0.0000 173.6123 98 F 4.7527 8.2080 118.0202 55.9401 41.8370 174.6350 99 E 4.7561 8.8824 120.1110 55.2098 30.9393 175.2062 100 A 5.1786 8.0422 124.8081 51.3769 22.9637 174.0387 101 Y 4.8044 8.8970 115.1927 56.9709 43.2473 173.8902 102 E 4.8413 8.9524 122.9130 54.6431 32.1589 174.8445 103 L 4.6082 8.9298 129.0787 54.5124 43.2249 176.1208 104 A 4.4532 8.6365 130.7789 53.6484 18.9412 176.9761 105 G 3.9316 8.9022 111.1515 43.7553 0.0000 174.3013 106 A 3.9843 7.7449 121.4807 52.2059 18.2278 177.0076 107 L 3.7846 8.1272 113.5252 58.3509 42.0238 179.8508 108 E 4.1039 8.3521 119.5221 59.3990 29.3634 179.1304 109 G 3.5848 8.0891 104.3228 47.4566 0.0000 174.9580 110 W 4.1875 8.2263 131.0755 60.2926 30.4804 178.2518 111 K 4.2533 8.4350 117.3752 59.0852 31.5403 180.2533 112 G 3.7778 7.9459 104.9042 44.8241 0.0000 173.5555 *114 Q 4.1758 8.0294 116.8460 55.1792 30.1849 175.7414 115 L 4.1123 7.2568 117.2528 53.1519 42.8762 175.6864 116 P 4.4502 0.0000 0.0000 63.6655 31.8816 175.1992 117 L 5.1912 8.5533 123.4285 52.7583 44.1305 176.0316 118 E 3.9936 8.9577 123.6059 59.4568 29.6283 176.9632 119 H 4.7150 8.0948 114.6892 54.3703 29.8722 174.0284 120 H 5.0530 8.0278 118.6339 53.1973 31.8055 172.3676 121 H 4.2287 8.8244 119.1731 57.0473 30.1314 174.6304 122 H 4.4324 8.3763 121.0470 55.9439 28.9554 174.2024 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 N 8.28 4.76 0.00 2.85 2.87 0.00 0.00 7.02 7.19 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 3 D 8.51 4.20 0.00 2.77 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 4 K 8.84 3.97 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.54 7.81 5 K 7.94 3.97 0.00 1.95 1.85 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.52 7.81 6 I 7.47 3.74 1.88 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 1.41 0.70 0.93 0.00 0.00 7 E 8.47 3.92 0.00 2.30 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 0.00 2.33 2.39 0.00 8 L 8.00 3.99 0.00 1.83 1.81 1.00 0.45 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 9 L 8.28 4.08 0.00 1.88 1.75 0.92 0.58 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 10 T 8.15 3.94 4.42 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 1.26 0.00 0.00 11 T 7.73 4.01 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 1.26 0.00 0.00 12 Y 8.64 4.20 0.00 3.18 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 13 L 8.50 4.31 0.00 1.92 1.79 0.97 0.73 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 14 S 7.79 4.46 0.00 4.13 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 15 L 8.02 4.23 0.00 1.50 1.37 0.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.39 5.29 0.00 2.79 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 17 I 8.43 4.45 1.50 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.08 0.89 0.00 0.00 18 D 8.57 4.81 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 19 H 9.00 4.51 0.00 3.57 3.72 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 9.05 4.18 0.00 3.05 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.77 3.85 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 1.23 0.00 0.00 22 V 7.45 3.62 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 0.85 0.00 0.00 0.85 0.00 0.00 23 L 8.41 4.26 0.00 1.87 1.81 0.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.07 4.51 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 25 D 7.98 4.63 0.00 2.93 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 *27 Q 8.12 4.31 0.00 2.32 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 28 N 7.97 4.75 0.00 2.71 2.87 0.00 0.00 6.93 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 29 A 8.00 3.83 1.34 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 0.00 0.00 0.00 0.00 0.00 30 T 7.81 3.89 4.47 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 1.14 0.00 0.00 31 G 7.84 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 32 K 8.45 4.16 0.00 1.53 1.14 0.00 0.78 0.00 0.00 1.39 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.73 1.10 7.81 33 Y 7.86 5.14 0.00 2.89 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 34 V 8.62 4.36 1.57 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 1.18 0.00 0.00 0.78 0.00 0.00 35 V 8.47 4.55 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 1.09 0.00 0.00 0.89 0.00 0.00 36 L 9.25 5.01 0.00 1.48 1.42 0.70 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.86 3.37 0.00 2.45 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 38 V 7.63 4.16 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 0.56 0.00 0.00 0.88 0.00 0.00 39 R 8.00 4.55 0.00 1.99 1.89 0.00 3.28 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.70 0.00 40 N 8.54 4.61 0.00 2.85 2.94 0.00 0.00 5.77 7.84 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 41 A 8.87 3.95 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 42 P 0.00 4.19 0.00 2.18 2.31 0.00 3.63 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 2.04 1.95 0.00 43 A 7.93 3.95 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 44 Q 8.01 4.27 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 45 V 7.40 3.72 2.19 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 0.74 0.00 0.00 0.98 0.00 0.00 46 K 7.70 4.12 0.00 1.77 1.85 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.39 7.81 47 K 7.64 4.22 0.00 1.79 1.74 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.37 7.81 48 D 8.01 5.00 0.00 2.83 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 49 Q 7.93 4.40 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.36 7.12 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 50 I 8.27 3.75 1.53 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 -0.13 -0.12 0.16 0.00 0.00 51 K 8.27 4.05 0.00 1.84 1.88 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.48 7.81 52 G 9.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.10 4.44 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 54 I 8.77 4.31 1.87 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 1.18 0.67 0.89 0.00 0.00 55 A 8.37 4.66 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 *57 P 0.00 4.58 0.00 2.33 1.99 0.00 3.86 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 58 A 8.75 3.93 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 59 K 7.95 4.34 0.00 1.86 1.92 0.00 1.50 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 60 D 8.38 4.80 0.00 2.70 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 61 L 7.46 3.76 0.00 1.61 1.70 0.72 1.12 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 62 A 7.95 3.97 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 63 T 7.77 4.05 4.37 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 1.19 0.00 0.00 64 R 7.81 4.45 0.00 1.77 2.01 0.00 3.08 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 65 I 7.58 3.82 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.88 0.98 0.00 0.00 66 G 7.83 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 0.00 0.00 0.00 67 E 7.82 4.48 0.00 1.94 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 2.24 2.32 0.00 68 L 7.07 4.54 0.00 1.18 1.07 -0.08 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.93 4.67 0.00 2.81 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 70 P 0.00 4.75 0.00 2.17 2.13 0.00 3.93 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 71 A 8.81 4.29 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 72 K 7.67 4.45 0.00 1.45 1.28 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.50 7.81 73 T 7.85 4.77 4.59 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 1.69 0.00 0.00 74 Y 8.81 5.05 0.00 2.93 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 75 V 8.85 4.90 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 1.00 0.00 0.00 0.88 0.00 0.00 76 V 8.78 5.15 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 0.91 0.00 0.00 0.93 0.00 0.00 77 Y 7.70 5.05 0.00 3.00 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 78 D 8.55 5.48 0.00 2.84 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 79 W 9.17 4.54 0.00 3.61 3.35 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 80 T 6.96 4.62 2.71 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 0.02 0.00 0.00 81 G 8.49 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 82 G 7.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 6.97 4.31 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 1.24 0.00 0.00 84 T 8.12 4.49 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 1.24 0.00 0.00 85 L 7.65 4.10 0.00 1.84 1.76 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 86 G 7.96 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 3.90 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.57 7.81 88 T 8.09 3.82 4.22 0.00 0.00 0.00 0.00 0.00 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 89 A 7.97 3.91 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 90 L 8.04 3.81 0.00 1.78 1.76 0.82 0.68 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 91 L 8.20 3.91 0.00 1.83 1.80 0.90 0.82 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 92 V 7.61 3.55 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 0.93 0.00 0.00 0.93 0.00 0.00 93 L 7.89 3.99 0.00 1.85 1.70 0.82 -0.09 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 94 L 8.16 4.29 0.00 1.63 1.69 0.83 0.46 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 95 S 8.22 4.20 0.00 4.01 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 96 A 7.66 4.42 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.85 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 0.00 0.00 0.00 0.00 98 F 8.21 4.75 0.00 3.11 3.02 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 99 E 8.88 4.76 0.00 1.99 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 2.37 2.30 0.00 100 A 8.04 5.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.90 4.80 0.00 2.83 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 0.00 102 E 8.95 4.84 0.00 1.66 1.13 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 2.23 2.16 0.00 103 L 8.93 4.61 0.00 1.85 1.73 1.08 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.64 4.45 1.34 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 0.00 0.00 0.00 0.00 0.00 105 G 8.90 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 0.00 106 A 7.74 3.98 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 0.00 107 L 8.13 3.78 0.00 1.93 2.03 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.35 4.10 0.00 2.29 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 2.35 2.42 0.00 109 G 8.09 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.23 4.19 0.00 3.49 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 0.00 111 K 8.44 4.25 0.00 1.97 1.92 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.74 7.81 112 G 7.95 3.78 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 0.00 0.00 0.00 *114 Q 8.03 4.18 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.80 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 115 L 7.26 4.11 0.00 0.27 0.13 0.46 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.45 0.00 2.28 2.28 0.00 3.43 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 2.45 2.12 0.00 117 L 8.55 5.19 0.00 1.63 1.79 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.96 3.99 0.00 1.94 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 2.30 2.11 0.00 119 H 8.09 4.71 0.00 3.18 3.26 0.00 5.89 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 0.00 120 H 8.03 5.05 0.00 3.16 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.82 4.23 0.00 3.12 3.31 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.38 4.43 0.00 3.11 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.91 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.