NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2479 8.3344 116.7860 57.9012 63.9055 175.0853 -7 D 5.1428 9.2074 134.7625 53.2834 41.6183 173.0827 -6 P 4.0638 0.0000 0.0000 66.0135 32.2221 177.9390 -5 S 4.8755 8.1012 109.6941 58.8683 62.6479 174.4874 -4 S 4.7455 8.4636 116.1342 58.3883 64.4228 176.1637 -3 I 4.2748 7.8462 122.8407 63.3263 37.6140 177.7084 -2 N 5.0379 7.6103 116.0354 52.4409 39.5757 176.4779 -1 G 4.0415 7.8523 104.6468 44.8967 0.0000 172.0948 -7 G 4.4628 9.1974 123.1626 44.1834 0.0000 171.6827 -6 I 3.8138 9.4720 128.4714 63.8135 38.9221 177.0390 -5 V 4.5255 7.8212 113.1941 62.7683 31.7479 176.1874 -4 V 4.3955 8.1836 119.6342 62.2883 33.5228 177.8637 -3 A 4.4248 8.0862 126.7407 54.7263 17.9140 179.1084 -2 M 4.7779 7.4903 116.9354 54.7409 33.5757 177.5779 -1 T 4.4315 7.6723 109.4468 61.5967 67.8350 171.8948 8 G 4.1531 8.4985 113.6939 43.7510 0.0000 171.5392 9 K 4.0098 8.6472 122.1074 56.8133 31.6748 176.8466 10 D 4.4785 8.7254 127.3609 54.5976 38.6265 173.2383 11 C 4.7346 7.4855 110.1894 57.4464 32.3566 172.5146 12 V 4.9782 7.8930 112.0671 59.8317 35.2894 174.6535 13 A 4.7219 8.3915 123.3159 50.4084 22.4078 175.4150 14 I 5.2715 8.0343 119.1684 59.7939 40.9929 173.7853 15 A 5.0011 8.5294 129.8099 50.6312 22.5602 174.0068 16 C 5.2630 8.2848 112.4260 57.5031 32.7325 173.4258 17 D 4.8208 8.4112 119.6068 52.5508 41.6390 175.8258 18 L 5.1088 8.2705 115.4396 53.4016 44.0001 176.7020 19 R 4.5491 8.0935 119.9022 56.4361 31.2166 176.2142 20 L 4.2577 8.8014 127.3938 54.1988 44.5582 174.3986 21 G 4.5767 8.2781 113.0441 44.2802 0.0000 170.9841 22 S 4.6852 8.9700 113.6813 56.8043 63.6540 174.6701 23 Q 3.7368 8.2288 130.1424 56.8229 26.5467 176.8866 24 S 4.1681 8.8042 120.7587 61.6178 63.3989 174.0963 25 L 4.0054 7.7780 124.5744 54.4381 41.8364 176.0705 26 G 3.9862 8.5916 116.1242 45.4307 0.0000 172.4265 27 V 4.1987 8.4319 122.5837 63.6172 33.9661 175.7445 28 S 4.7215 8.4207 113.2894 56.6711 65.3110 173.4678 29 N 5.4717 8.7778 123.8626 52.7593 37.4825 174.4787 30 K 4.6011 8.0348 115.1390 57.2938 33.9385 177.2897 31 F 4.6160 8.4585 125.7620 56.8237 38.5074 174.2387 32 E 4.0283 8.1034 122.5866 55.5469 30.4083 176.4056 33 K 4.2798 8.3432 120.3552 55.9564 34.2211 174.9906 34 I 4.7937 7.0344 120.6576 59.5793 39.4585 174.7284 35 F 4.9901 9.2158 124.2612 56.3593 44.1205 172.9603 36 H 4.8216 7.4437 112.9227 54.6753 31.7019 172.6674 *38 Y 4.7452 7.9213 116.3895 58.7472 39.2304 175.6444 39 G 3.8971 8.1627 116.6093 47.3706 0.0000 172.9925 40 H 4.7767 9.0034 119.5257 54.7345 28.8655 173.8407 41 V 4.3526 7.5616 120.9888 61.6111 33.4419 174.4342 42 F 5.0008 9.4478 126.9394 55.8323 41.8010 174.7360 43 L 5.2341 9.5337 124.6139 53.6248 45.0766 175.2742 44 G 4.5295 9.4483 114.5382 45.0104 0.0000 172.4840 45 I 5.1689 8.8915 123.8608 59.8865 40.6656 175.2710 46 T 4.4057 8.4883 117.6115 60.4089 71.2857 172.4628 47 G 3.9283 8.7063 105.5558 44.1626 0.0000 173.1808 48 L 4.2040 9.1722 124.6363 54.6381 42.8149 178.0344 49 A 4.1389 10.5090 128.6378 56.0003 18.1212 179.0167 50 T 3.8383 8.0591 110.6593 65.7353 67.2036 175.6632 51 D 4.3950 8.1654 120.1698 56.9762 41.0433 178.6017 52 V 3.6940 8.0053 118.9225 66.3758 31.5840 178.1667 53 T 3.8258 8.3763 115.5518 67.0076 68.3900 176.4772 54 T 3.7649 7.9954 117.5915 66.8874 68.4808 176.5092 55 L 3.3485 8.2327 121.1796 57.4121 41.5636 179.0702 56 N 4.3116 7.6335 118.1297 56.2631 38.9308 176.8317 57 E 3.9881 7.9768 119.7229 59.3340 29.3295 179.2143 58 M 3.7780 7.6168 118.4252 58.5894 32.2469 178.3491 59 F 4.3713 7.9534 117.9052 59.8253 38.9020 177.8850 60 R 3.8837 7.9865 120.2935 58.9690 30.1461 177.3116 61 Y 4.0850 7.8065 118.9803 61.0666 38.6675 178.6328 62 K 4.2490 8.5996 119.4034 59.8321 31.7480 179.6020 63 T 3.9223 8.3033 110.4031 64.6423 68.5657 176.4133 64 N 4.3738 8.6143 119.7668 56.3541 38.6688 177.3767 65 L 4.0129 7.8088 119.8724 57.8595 41.6287 178.9549 66 Y 4.0334 8.2436 119.7080 60.5312 38.6475 178.1945 67 K 4.5431 8.2452 121.9465 59.0778 32.1471 178.7718 68 L 3.9830 7.7653 118.1876 57.5954 41.5687 179.2014 69 K 4.1495 7.7834 117.1211 58.9335 32.4957 178.7633 70 E 3.8993 8.2526 117.6868 56.3242 30.1107 176.3759 71 E 3.8178 8.2044 117.7834 56.5095 27.4612 174.0546 72 R 4.3621 7.0812 111.4075 55.6672 31.7461 173.6445 73 A 4.5366 8.5704 122.3104 51.3902 19.4960 177.5910 74 I 3.7961 8.0935 121.0809 60.9897 38.7299 176.0470 75 E 4.5455 8.3195 125.1081 54.2986 32.3401 175.6018 76 P 4.3573 0.0000 0.0000 66.1076 31.5305 178.5664 77 E 3.9617 8.2326 116.3786 59.9164 29.4452 179.4076 78 T 3.8399 7.9037 114.8071 66.8296 68.6354 176.0222 79 F 4.0205 8.4177 122.6204 61.7212 39.1721 177.1951 80 T 3.6240 8.1327 115.2912 66.7047 68.1721 176.4886 81 Q 3.9013 7.7256 119.3128 58.8985 28.7565 178.6835 82 L 3.8604 7.7568 121.3197 57.9654 42.0483 179.2687 83 V 3.2389 7.5795 118.5761 65.6990 31.3946 177.8788 84 S 4.0527 8.1434 113.4597 61.5764 62.2641 176.4049 85 S 4.2044 8.3060 117.1047 61.4979 62.4845 176.5250 86 S 4.1849 7.9779 118.0970 61.2980 62.7642 176.4335 87 L 4.2379 8.0849 121.6813 58.0975 41.5310 178.9324 88 Y 3.7922 8.1854 119.0137 60.1005 38.4112 177.3943 89 E 4.1455 8.0031 118.7559 57.9342 29.9054 177.0095 90 R 4.4369 7.7078 118.5257 55.9794 30.9668 178.1657 91 R 3.1734 7.0270 120.6685 59.0700 29.7847 177.3699 92 F 4.8778 7.1937 113.6333 56.7912 39.9002 175.9760 93 G 4.2809 7.3505 104.5491 44.8569 0.0000 172.1332 94 P 4.0847 0.0000 0.0000 62.3521 32.5994 176.1327 95 Y 4.0181 7.7230 116.6346 57.8216 38.8319 176.5939 96 F 4.7914 8.9756 123.9483 56.3623 37.7953 175.0207 97 V 4.9860 7.9442 114.0257 59.4091 36.0612 175.6551 98 G 4.2275 8.9672 109.1253 43.4811 0.0000 169.9945 99 P 4.8728 0.0000 0.0000 63.2528 32.8898 176.1644 100 V 4.4884 9.1691 122.8308 61.2616 34.9212 174.0142 101 V 5.1459 8.6342 126.9563 61.2546 33.8738 174.4455 102 A 4.7474 9.1787 128.1830 49.9914 22.9087 175.5212 103 G 4.2164 7.7666 107.3587 46.7125 0.0000 171.8581 104 I 4.6443 8.1625 119.9721 58.9150 39.8262 175.6013 105 N 5.0237 8.8481 121.8430 53.4788 38.7299 174.2687 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 -8 S 8.33 4.25 0.00 3.84 3.51 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 0.00 0.00 0.00 -7 D 9.21 5.14 0.00 2.74 2.56 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 -6 P 0.00 4.06 0.00 1.16 1.42 0.00 3.28 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 0.93 1.66 0.00 -5 S 8.10 4.88 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 -4 S 8.46 4.75 0.00 3.88 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 -3 I 7.85 4.27 1.84 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 1.52 1.22 0.88 0.00 0.00 -2 N 7.61 5.04 0.00 2.74 2.72 0.00 0.00 7.59 7.61 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 -1 G 7.85 4.04 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 0.00 0.00 0.00 -7 G 9.20 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 0.00 0.00 0.00 0.00 -6 I 9.47 3.81 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 1.41 0.47 0.91 0.00 0.00 -5 V 7.82 4.53 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 1.03 0.00 0.00 0.93 0.00 0.00 -4 V 8.18 4.40 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.09 4.42 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 -2 M 7.49 4.78 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.67 4.43 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 8 G 8.50 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 9 K 8.65 4.01 0.00 1.70 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.73 4.48 0.00 2.81 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 0.00 11 C 7.49 4.73 0.00 3.01 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 12 V 7.89 4.98 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 0.74 0.00 0.00 0.86 0.00 0.00 13 A 8.39 4.72 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.03 5.27 1.81 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 1.27 0.95 0.77 0.00 0.00 15 A 8.53 5.00 1.16 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 0.00 0.00 16 C 8.28 5.26 0.00 3.06 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.41 4.82 0.00 2.73 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 18 L 8.27 5.11 0.00 1.60 1.78 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.09 4.55 0.00 1.85 2.01 0.00 3.23 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.80 4.26 0.00 1.50 1.53 0.75 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.28 4.58 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 22 S 8.97 4.69 0.00 3.73 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 23 Q 8.23 3.74 0.00 2.24 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 24 S 8.80 4.17 0.00 3.97 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 25 L 7.78 4.01 0.00 1.69 1.77 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.59 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 27 V 8.43 4.20 2.22 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 0.82 0.00 0.00 0.97 0.00 0.00 28 S 8.42 4.72 0.00 3.85 3.64 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 29 N 8.78 5.47 0.00 2.85 2.86 0.00 0.00 5.89 7.13 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 30 K 8.03 4.60 0.00 1.70 1.81 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.46 4.62 0.00 3.19 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 32 E 8.10 4.03 0.00 1.56 1.61 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 2.21 2.22 0.00 33 K 8.34 4.28 0.00 1.63 1.96 0.00 1.76 0.00 0.00 1.95 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 I 7.03 4.79 1.73 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 1.23 0.77 1.02 0.00 0.00 35 F 9.22 4.99 0.00 2.73 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 36 H 7.44 4.82 0.00 1.92 1.69 0.00 5.85 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 *38 Y 7.92 4.75 0.00 2.72 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.16 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 40 H 9.00 4.78 0.00 3.33 3.38 0.00 5.49 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.56 4.35 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 0.71 0.00 0.00 0.72 0.00 0.00 42 F 9.45 5.00 0.00 3.15 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 43 L 9.53 5.23 0.00 2.09 1.83 1.15 0.85 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 44 G 9.45 4.53 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 0.00 0.00 0.00 45 I 8.89 5.17 2.14 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 1.05 0.00 0.00 46 T 8.49 4.41 4.32 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 1.28 0.00 0.00 47 G 8.71 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 48 L 9.17 4.20 0.00 1.86 1.77 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.51 4.14 1.10 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 50 T 8.06 3.84 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 1.30 0.00 0.00 51 D 8.17 4.40 0.00 3.06 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 52 V 8.01 3.69 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 1.40 0.00 0.00 1.25 0.00 0.00 53 T 8.38 3.83 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 1.26 0.00 0.00 54 T 8.00 3.76 4.30 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 1.03 0.00 0.00 55 L 8.23 3.35 0.00 1.53 1.52 0.84 -1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.63 4.31 0.00 1.48 2.43 0.00 0.00 6.82 7.65 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 57 E 7.98 3.99 0.00 2.11 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 2.31 2.40 0.00 58 M 7.62 3.78 0.00 1.51 1.61 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.05 0.00 59 F 7.95 4.37 0.00 2.91 2.54 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 60 R 7.99 3.88 0.00 2.19 2.14 0.00 3.22 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.81 4.08 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 62 K 8.60 4.25 0.00 1.98 1.98 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.57 1.69 7.81 63 T 8.30 3.92 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 0.88 0.00 0.00 64 N 8.61 4.37 0.00 2.90 2.87 0.00 0.00 6.94 6.31 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 65 L 7.81 4.01 0.00 1.80 1.75 0.92 0.43 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 66 Y 8.24 4.03 0.00 3.16 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 67 K 8.25 4.54 0.00 2.14 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.48 7.81 68 L 7.77 3.98 0.00 1.82 1.70 0.88 0.90 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 69 K 7.78 4.15 0.00 1.61 1.77 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.56 7.81 70 E 8.25 3.90 0.00 1.55 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 0.00 1.58 1.47 0.00 71 E 8.20 3.82 0.00 2.06 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 2.22 2.19 0.00 72 R 7.08 4.36 0.00 1.98 2.00 0.00 3.02 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 73 A 8.57 4.54 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 74 I 8.09 3.80 0.86 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.34 0.62 0.00 0.00 75 E 8.32 4.55 0.00 2.05 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 0.00 2.42 2.39 0.00 76 P 0.00 4.36 0.00 2.19 2.16 0.00 3.65 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 2.16 2.19 0.00 77 E 8.23 3.96 0.00 2.07 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 2.42 2.49 0.00 78 T 7.90 3.84 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 1.24 0.00 0.00 79 F 8.42 4.02 0.00 2.97 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 80 T 8.13 3.62 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 1.16 0.00 0.00 81 Q 7.73 3.90 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 82 L 7.76 3.86 0.00 1.67 1.52 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.58 3.24 1.74 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 0.76 0.00 0.00 -0.78 0.00 0.00 84 S 8.14 4.05 0.00 3.91 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 85 S 8.31 4.20 0.00 4.09 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 86 S 7.98 4.18 0.00 4.27 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 87 L 8.08 4.24 0.00 1.92 1.76 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.19 3.79 0.00 3.16 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 89 E 8.00 4.15 0.00 2.15 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 0.00 2.29 2.34 0.00 90 R 7.71 4.44 0.00 1.68 1.68 0.00 2.99 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 0.00 91 R 7.03 3.17 0.00 0.67 1.06 0.00 2.59 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.19 4.88 0.00 3.00 2.93 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 93 G 7.35 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 0.00 0.00 0.00 0.00 94 P 0.00 4.08 0.00 1.93 1.84 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 95 Y 7.72 4.02 0.00 2.87 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 96 F 8.98 4.79 0.00 3.07 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 97 V 7.94 4.99 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 0.80 0.00 0.00 1.01 0.00 0.00 98 G 8.97 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 0.00 0.00 0.00 0.00 99 P 0.00 4.87 0.00 1.98 2.07 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 9.17 4.49 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 0.99 0.00 0.00 0.98 0.00 0.00 101 V 8.63 5.15 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 1.00 0.00 0.00 1.06 0.00 0.00 102 A 9.18 4.75 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 0.00 103 G 7.77 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 0.00 0.00 0.00 0.00 104 I 8.16 4.64 1.91 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 1.31 0.74 0.93 0.00 0.00 105 N 8.85 5.02 0.00 2.71 2.73 0.00 0.00 7.19 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 * Residues marked with a * may have inaccurate shift predictions.