NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7822 8.1633 120.2791 55.2784 34.2942 174.0059 2 K 4.8856 8.6800 121.0149 53.7941 37.1500 173.3926 3 K 4.8473 9.9770 126.8458 55.1858 34.7629 174.7163 4 I 4.9258 8.8103 128.5105 59.7254 39.5706 174.1882 5 E 5.3180 9.4635 127.3497 54.5011 32.1058 174.9162 6 A 5.0046 9.0565 126.2336 50.1447 22.3638 174.6448 7 I 4.7908 8.6977 124.7875 60.0244 38.8662 175.1741 8 I 4.9411 8.7286 120.4209 58.5338 42.0266 174.9584 9 R 4.3311 8.2413 120.8762 55.3666 30.8957 176.3853 10 P 4.2970 0.0000 0.0000 65.6352 31.1750 178.9047 11 F 4.4578 8.2521 111.6336 59.1053 38.2276 176.7124 12 K 3.8927 6.9864 117.6287 56.7932 31.6935 178.2848 13 L 3.8730 7.6326 122.2785 58.3460 41.9593 178.6248 14 D 4.3185 7.9779 118.0912 57.3988 40.8927 178.2993 15 E 3.9207 8.1278 118.5523 59.4693 29.5158 179.5102 16 V 3.5196 7.8555 118.0949 65.7447 31.6278 177.6962 17 K 3.8265 8.3923 119.7257 59.7147 32.0222 178.5209 18 I 3.6554 7.9179 119.6524 64.4825 37.2264 178.2888 19 A 4.0046 7.9979 121.3727 55.0697 18.1597 179.7914 20 L 4.0010 7.9863 117.4094 57.9911 41.8328 179.8074 21 V 3.8018 7.6797 119.4701 65.5504 31.2695 177.5395 22 N 4.5367 8.1995 114.0944 54.8336 38.4086 176.0176 23 A 4.6210 7.2923 119.8714 51.3741 19.4298 177.4402 24 G 3.7377 7.9763 106.1549 46.0229 0.0000 174.4084 25 I 4.0939 7.7808 121.7676 59.6830 36.3781 175.0803 26 V 4.3103 9.3043 119.1933 61.2955 32.2545 174.5232 27 G 4.1861 7.7494 120.8303 45.1995 0.0000 170.0110 28 M 4.9402 7.7681 121.9741 54.4921 34.1134 174.0916 29 T 4.6644 8.8235 117.3286 61.8059 71.7969 173.1476 30 V 5.0404 8.4754 125.7146 61.1879 34.4565 174.4833 31 S 4.7697 8.7664 120.3442 56.9566 67.0384 172.3194 32 E 4.8248 8.6607 120.2890 55.6077 30.7786 175.9233 33 V 4.6402 8.5947 116.2788 60.0684 36.9353 174.0432 34 R 5.2352 8.2834 119.0334 55.1372 33.9290 174.9897 35 G 4.4602 9.2310 107.6763 45.9694 0.0000 171.8513 36 F 5.3497 8.1969 113.9611 54.7706 41.1208 175.4444 37 G 4.2581 8.6513 108.5271 45.6168 0.0000 176.5167 38 R 4.0356 8.8128 120.5673 58.9236 30.5856 177.2522 39 Q 4.3561 8.1515 114.9354 55.1061 29.1778 175.7331 40 K 3.7207 8.7600 116.8213 57.6404 29.7423 177.2465 41 G 4.2638 8.4282 103.2230 46.5851 0.0000 175.2550 42 Q 4.5437 7.5670 120.8105 55.4990 28.1122 174.3025 43 T 4.2935 7.7210 107.7896 63.5264 71.3862 173.9641 *48 G 3.6237 7.6945 111.3295 44.3797 0.0000 171.4059 49 S 4.6825 8.2545 116.7633 56.1584 65.7700 172.6252 50 E 4.1558 7.6986 119.3781 55.0475 31.8224 174.4944 51 Y 4.7737 8.0447 117.8527 57.9034 40.3336 175.6250 52 T 4.2965 7.6672 114.3885 60.4725 68.5270 174.0720 53 V 3.7648 8.0159 127.8561 61.0827 32.1649 175.0727 54 E 4.6488 8.0697 123.8640 54.2967 32.6024 174.9808 55 F 5.1714 8.7456 121.2183 56.7690 40.3056 175.2589 56 L 4.9376 9.3559 123.6307 52.8519 44.8256 175.8075 57 Q 4.6492 8.6235 120.6022 56.1666 29.5204 175.6323 58 K 4.8666 9.0784 121.7697 54.9981 37.6534 174.7846 59 L 5.1233 8.8509 121.2414 52.9670 44.7930 175.7477 60 K 4.8685 9.1559 125.3066 55.0872 33.7420 174.8625 61 L 5.0602 9.1893 128.6024 53.4904 43.9627 175.5908 62 E 5.1309 9.1836 122.5459 54.6652 33.0689 174.9770 63 I 4.7756 8.7756 124.9487 59.5730 40.9974 174.3736 64 V 4.8231 8.4890 127.1326 61.4576 33.3084 174.9976 65 V 4.6127 8.3192 119.1899 59.6734 36.9130 174.0788 66 E 4.3696 8.8370 121.9308 55.8550 30.6167 176.8785 67 D 4.3824 8.9390 123.3910 57.8275 40.6309 179.1512 68 A 4.1677 7.9833 118.7238 54.1135 18.7707 178.3437 69 Q 4.3296 8.0988 115.7434 56.0711 29.3124 177.6631 70 V 3.5696 7.5744 120.2085 66.2967 31.4495 177.4353 71 D 4.3781 8.1005 117.8271 57.7373 40.6996 178.8738 72 T 3.8362 7.8173 115.6143 66.5972 68.5691 176.7057 73 V 3.5903 7.7273 120.1170 66.0689 31.4486 178.1911 74 I 3.6991 7.8705 119.4788 64.4469 36.9631 178.0878 75 D 4.3361 8.2606 119.8685 57.4404 40.6742 179.1405 76 K 4.0325 8.1399 118.8530 59.1897 32.1136 179.5157 77 I 3.6496 7.8112 120.1699 64.3928 37.1597 178.5867 78 V 3.5358 8.0301 119.0428 66.0115 31.1151 177.9671 79 A 4.0005 7.8527 119.2149 54.9665 18.3151 179.1525 80 A 4.0445 8.0016 118.3113 54.5130 18.6559 178.8913 81 A 4.2138 7.7581 117.2737 52.0737 20.0579 177.8072 82 R 4.1602 7.1911 117.4570 56.7058 30.6519 176.2891 83 T 4.5124 9.7145 111.8278 60.5206 70.2876 175.1214 84 G 3.9765 9.0074 109.5142 44.9606 0.0000 172.8605 85 E 4.6163 7.8942 119.8328 54.0534 31.2655 175.7748 86 I 3.8519 8.0975 115.4719 62.6626 36.4639 176.3356 87 G 4.0118 8.9090 109.7598 45.3962 0.0000 174.9159 88 D 4.4636 7.3877 119.7985 56.5479 40.9197 175.8455 89 G 4.5059 6.0667 101.9760 44.0283 0.0000 172.5106 90 K 4.4712 8.1217 119.4257 54.4848 35.9305 174.5673 91 I 4.6649 7.8821 126.0890 59.3502 39.9204 174.7179 92 F 5.0108 9.3433 126.1842 55.6174 41.8090 174.3615 93 V 5.0814 8.5831 123.3975 61.2576 33.5411 174.6522 94 S 4.8857 8.8906 121.0213 56.2019 66.7602 171.5583 95 P 4.9306 0.0000 0.0000 62.6620 32.5166 175.4874 96 V 4.3440 8.1161 121.0944 61.4205 32.8895 175.4565 97 D 4.5154 9.0089 128.1927 57.0336 41.2499 176.6636 98 Q 4.7885 7.4838 116.6925 55.2303 32.1053 172.8487 99 T 4.7822 9.0836 121.4454 61.8108 72.2551 173.0157 100 I 4.9877 8.1858 125.1763 59.4778 40.8971 174.7905 101 R 4.1266 8.8869 128.5322 55.6809 30.2869 177.2111 102 I 3.7475 8.6013 128.2683 64.4673 37.5933 177.4495 103 R 4.0522 8.2428 119.4732 59.0464 29.9043 176.9849 104 T 4.2963 8.0214 104.8661 60.9179 70.3668 175.3933 105 G 3.9442 8.7505 109.5478 45.0096 0.0000 173.4866 106 E 4.1343 7.9971 119.6897 56.3984 30.1531 176.2622 107 K 5.1599 8.1221 119.6741 55.1895 37.7978 180.3133 108 N 4.0124 9.4145 120.1135 54.4513 38.8530 176.6418 109 A 4.0139 9.2401 129.7204 56.2551 19.1454 180.6066 110 D 4.3930 8.3458 113.8435 57.6266 40.8828 178.0654 111 A 4.2274 7.5383 118.2582 53.8696 18.7349 178.1786 112 I 4.0670 7.5822 117.8273 63.3876 37.9488 177.2801 *113 S 4.3279 7.8106 115.6993 57.7729 62.5383 177.9141 114 A 4.3316 8.3924 120.2770 53.7855 18.5096 177.9497 115 W 4.4048 7.9286 121.1775 56.7065 29.3588 176.1272 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 1 M 8.16 4.78 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.59 0.00 2 K 8.68 4.89 0.00 1.62 1.64 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.60 7.81 3 K 9.98 4.85 0.00 1.80 1.68 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 I 8.81 4.93 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 1.22 0.56 0.90 0.00 0.00 5 E 9.46 5.32 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 2.28 2.30 0.00 6 A 9.06 5.00 1.14 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 0.00 0.00 7 I 8.70 4.79 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.24 0.94 0.00 0.00 8 I 8.73 4.94 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.00 0.84 0.00 0.00 9 R 8.24 4.33 0.00 1.59 1.90 0.00 3.08 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 10 P 0.00 4.30 0.00 2.24 2.14 0.00 3.69 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 11 F 8.25 4.46 0.00 3.21 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 12 K 6.99 3.89 0.00 1.64 1.62 0.00 1.58 0.00 0.00 1.08 0.00 0.00 2.75 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.30 1.13 7.81 13 L 7.63 3.87 0.00 1.85 1.65 0.90 1.01 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 14 D 7.98 4.32 0.00 2.74 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 15 E 8.13 3.92 0.00 2.07 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 2.40 2.38 0.00 16 V 7.86 3.52 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 0.95 0.00 0.00 0.93 0.00 0.00 17 K 8.39 3.83 0.00 1.79 2.01 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 I 7.92 3.66 1.86 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 1.45 0.77 0.90 0.00 0.00 19 A 8.00 4.00 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 20 L 7.99 4.00 0.00 1.94 1.70 0.90 0.58 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 21 V 7.68 3.80 2.17 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 1.15 0.00 0.00 0.95 0.00 0.00 22 N 8.20 4.54 0.00 2.87 2.85 0.00 0.00 6.93 6.84 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 23 A 7.29 4.62 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 24 G 7.98 3.74 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 0.00 0.00 0.00 25 I 7.78 4.09 1.93 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 1.40 1.45 0.90 0.00 0.00 26 V 9.30 4.31 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 0.69 0.00 0.00 0.88 0.00 0.00 27 G 7.75 4.19 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 0.00 0.00 0.00 28 M 7.77 4.94 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 29 T 8.82 4.66 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 30 V 8.48 5.04 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 0.83 0.00 0.00 0.92 0.00 0.00 31 S 8.77 4.77 0.00 3.90 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 32 E 8.66 4.82 0.00 1.87 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 2.27 2.33 0.00 33 V 8.59 4.64 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 0.82 0.00 0.00 1.01 0.00 0.00 34 R 8.28 5.24 0.00 1.55 1.92 0.00 3.30 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 35 G 9.23 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 36 F 8.20 5.35 0.00 2.96 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 37 G 8.65 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 38 R 8.81 4.04 0.00 1.85 2.05 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 39 Q 8.15 4.36 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.30 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 40 K 8.76 3.72 0.00 1.90 1.59 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.34 7.81 41 G 8.43 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 42 Q 7.57 4.54 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 43 T 7.72 4.29 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 1.20 0.00 0.00 *48 G 7.69 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 49 S 8.25 4.68 0.00 3.75 3.66 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 0.00 0.00 0.00 0.00 50 E 7.70 4.16 0.00 1.86 1.64 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 1.98 2.19 0.00 51 Y 8.04 4.77 0.00 2.99 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 52 T 7.67 4.30 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 1.23 0.00 0.00 53 V 8.02 3.76 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 0.53 0.00 0.00 -0.52 0.00 0.00 54 E 8.07 4.65 0.00 1.83 1.86 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 2.13 2.35 0.00 55 F 8.75 5.17 0.00 3.05 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 56 L 9.36 4.94 0.00 1.64 1.62 0.98 1.08 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 57 Q 8.62 4.65 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 58 K 9.08 4.87 0.00 1.67 1.78 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.61 7.81 59 L 8.85 5.12 0.00 1.54 1.53 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.16 4.87 0.00 1.80 1.69 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.44 7.81 61 L 9.19 5.06 0.00 1.62 1.54 0.90 0.82 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 62 E 9.18 5.13 0.00 1.86 1.82 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 2.23 2.26 0.00 63 I 8.78 4.78 1.87 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 1.10 0.81 0.96 0.00 0.00 64 V 8.49 4.82 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 0.94 0.00 0.00 65 V 8.32 4.61 2.21 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 0.67 0.00 0.00 0.99 0.00 0.00 66 E 8.84 4.37 0.00 2.06 1.82 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 2.39 2.40 0.00 67 D 8.94 4.38 0.00 2.80 2.73 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 68 A 7.98 4.17 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 69 Q 8.10 4.33 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 70 V 7.57 3.57 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 0.98 0.00 0.00 71 D 8.10 4.38 0.00 2.72 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 72 T 7.82 3.84 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 1.21 0.00 0.00 73 V 7.73 3.59 2.21 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 1.02 0.00 0.00 0.99 0.00 0.00 74 I 7.87 3.70 1.98 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 1.49 0.68 0.88 0.00 0.00 75 D 8.26 4.34 0.00 2.84 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 76 K 8.14 4.03 0.00 1.76 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.61 7.81 77 I 7.81 3.65 1.92 0.00 0.00 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 1.37 0.93 0.85 0.00 0.00 78 V 8.03 3.54 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 0.98 0.00 0.00 0.90 0.00 0.00 79 A 7.85 4.00 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 80 A 8.00 4.04 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 81 A 7.76 4.21 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 82 R 7.19 4.16 0.00 2.10 1.83 0.00 3.20 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 83 T 9.71 4.51 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 1.36 0.00 0.00 84 G 9.01 3.98 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 0.00 0.00 0.00 85 E 7.89 4.62 0.00 2.06 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 2.28 2.40 0.00 86 I 8.10 3.85 1.89 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 1.36 0.54 0.92 0.00 0.00 87 G 8.91 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 0.00 0.00 0.00 88 D 7.39 4.46 0.00 2.67 2.73 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 89 G 6.07 4.51 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 0.00 0.00 0.00 90 K 8.12 4.47 0.00 1.66 1.17 0.00 1.77 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.60 1.18 7.81 91 I 7.88 4.66 1.71 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.88 0.00 0.00 92 F 9.34 5.01 0.00 2.90 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 93 V 8.58 5.08 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 0.85 0.00 0.00 0.94 0.00 0.00 94 S 8.89 4.89 0.00 3.90 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 95 P 0.00 4.93 0.00 2.10 2.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.12 4.34 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 0.84 0.00 0.00 0.94 0.00 0.00 97 D 9.01 4.52 0.00 2.71 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 98 Q 7.48 4.79 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 99 T 9.08 4.78 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 1.22 0.00 0.00 100 I 8.19 4.99 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 1.23 0.48 0.91 0.00 0.00 101 R 8.89 4.13 0.00 1.91 1.82 0.00 3.29 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 102 I 8.60 3.75 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 0.65 0.91 0.00 0.00 103 R 8.24 4.05 0.00 1.77 1.97 0.00 3.20 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 T 8.02 4.30 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 1.22 0.00 0.00 105 G 8.75 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 0.00 106 E 8.00 4.13 0.00 2.08 1.91 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 2.35 2.31 0.00 107 K 8.12 5.16 0.00 1.77 1.66 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.58 7.81 108 N 9.41 4.01 0.00 2.82 2.25 0.00 0.00 7.17 7.90 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 0.00 109 A 9.24 4.01 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 0.00 110 D 8.35 4.39 0.00 2.88 2.94 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 0.00 111 A 7.54 4.23 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 0.00 112 I 7.58 4.07 1.89 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 1.17 0.64 0.97 0.00 0.00 *113 S 7.81 4.33 0.00 3.65 3.67 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 0.00 114 A 8.39 4.33 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 0.00 115 W 7.93 4.40 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.