NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.2520 8.2993 122.1379 53.9826 32.4007 174.6344 *11 P 4.5987 0.0000 0.0000 61.5026 34.2725 175.9234 12 L 4.9721 7.6531 121.0121 53.8364 44.4158 175.0801 13 M 4.9727 9.0614 126.0835 53.4128 36.0372 175.0393 14 V 4.8960 8.2088 120.3837 61.0745 35.0384 174.3876 15 K 5.0112 9.0944 126.5800 54.5669 35.7517 175.2597 16 V 4.8157 8.9882 124.7013 61.0269 34.6865 174.2307 17 L 5.0977 9.0529 127.2014 52.9240 45.7584 174.9391 18 D 5.2558 9.0295 121.5815 52.7230 42.3670 176.6409 19 A 4.2565 9.2642 128.9577 54.1074 18.5488 178.7873 20 V 3.8487 8.5397 114.8059 65.4241 31.9322 177.0526 21 R 4.2917 8.8133 116.7501 55.5940 31.0175 176.1466 22 G 3.8943 8.2744 105.8826 46.0716 0.0000 172.4740 23 S 4.7723 7.3966 111.5152 55.7499 67.4359 172.5588 24 P 4.7104 0.0000 0.0000 62.5909 32.0224 176.6067 25 A 4.3677 8.5449 125.2439 50.4709 19.1507 176.6087 26 V 4.1496 8.4480 121.7609 62.8831 33.2365 174.9770 27 D 4.4168 8.4711 124.5526 55.1792 40.2879 173.5353 28 V 3.8504 7.7757 117.9720 61.8825 32.6275 174.8841 29 A 4.4639 8.6732 130.3882 51.8739 19.7321 175.9092 30 V 4.7307 9.1232 122.8182 60.8951 34.6953 174.4318 31 K 4.6310 8.7923 126.4575 54.4985 35.5676 175.0896 32 V 4.7262 8.7241 125.2962 61.2134 33.7836 174.5240 33 F 5.5756 9.4478 125.3646 55.6112 43.7042 173.6987 34 K 4.6649 9.4718 121.5665 54.3520 35.2177 175.1086 35 K 4.1598 8.8516 130.3251 56.3187 32.7109 177.0372 36 T 4.2857 8.3141 118.3578 60.2971 70.6351 175.7597 37 S 4.0452 8.4256 117.0644 61.5898 62.7991 176.0952 38 E 3.9165 7.9179 116.8848 57.6640 29.6574 177.5458 39 G 3.8620 7.4862 108.1447 45.1631 0.0000 173.3783 40 S 4.4515 7.5912 115.6202 56.6353 65.5356 173.6926 41 W 5.1765 8.4145 122.2074 55.5808 29.5345 175.6378 42 E 4.6663 9.0610 124.4704 54.3645 31.0790 174.2649 43 P 4.5041 0.0000 0.0000 63.6357 31.4945 175.0686 44 F 4.8342 8.9484 125.3824 59.5255 41.6017 174.6903 45 A 4.5667 7.6642 117.4884 51.5782 22.4660 174.6811 46 S 4.7047 7.5031 112.2498 57.5630 65.9612 174.2677 47 G 3.9691 7.6215 106.6439 46.5708 0.0000 171.5735 48 K 5.3203 8.3438 118.0187 54.2359 35.9299 176.9419 49 T 4.1211 8.4394 113.6905 61.9061 70.2502 174.8944 50 A 4.5902 8.5004 127.4511 51.2114 20.3073 177.7160 51 E 4.0413 8.6556 114.2199 59.3350 29.6296 178.3763 52 S 4.1272 7.9614 112.8246 59.2418 63.5613 175.1451 53 G 3.8951 8.3978 109.9775 44.6498 0.0000 172.3098 54 E 5.0999 7.8676 118.7751 54.1710 33.0520 174.6538 55 L 4.9318 8.9252 125.2145 53.6937 44.4102 175.0458 56 H 5.0448 8.7434 122.4371 54.0911 32.3588 173.4753 57 G 3.8972 8.7147 105.3246 46.8018 0.0000 175.5308 58 L 4.0102 8.0702 121.7266 57.4119 41.8426 176.6647 59 T 4.4531 7.3034 109.9275 61.3493 70.3625 171.4828 60 T 4.7801 8.0879 110.9300 59.3795 71.6751 174.6453 61 D 4.5964 8.7638 121.6292 57.6597 41.0723 178.2121 62 E 4.1524 8.2883 117.4773 59.0697 29.6171 177.9691 63 K 4.3149 7.9928 118.0688 58.0361 32.7914 177.0733 64 F 5.0203 8.2123 122.5531 57.2315 37.4980 174.9230 65 V 4.0489 7.6311 118.0444 59.4639 33.3229 175.5853 66 E 4.0868 8.6707 122.0911 56.0775 30.6166 176.3509 67 G 4.0992 7.7515 112.5535 46.5377 0.0000 170.7868 68 V 4.6897 7.2625 119.4675 61.6758 33.0416 174.4461 69 Y 5.1677 8.6960 125.4258 56.1232 41.9409 174.7555 70 R 4.7157 9.0106 121.4944 54.6828 33.3472 173.9481 71 V 4.7109 8.9330 127.5198 61.3432 33.6278 173.7532 72 E 4.9884 9.1431 130.1594 54.4574 31.9005 174.3115 73 L 4.8568 8.8272 127.7688 53.5825 43.4982 176.3025 74 D 5.1574 8.9131 124.7941 53.8016 38.9644 176.6506 75 T 4.0162 7.9892 115.3417 63.7737 69.3874 176.5374 76 K 4.1482 8.1943 122.0541 59.6835 32.2740 178.6424 77 S 4.1414 8.3312 115.2012 61.6878 62.8950 176.0107 78 Y 3.9431 7.6341 120.7782 60.6319 38.5379 178.3721 79 W 4.3777 8.0812 119.6560 59.8318 29.0370 178.7985 80 K 4.3384 8.4410 119.7955 59.0265 31.2220 179.5307 81 T 3.9540 7.9211 115.3736 65.6299 68.3132 175.6373 82 L 4.5090 7.0370 118.2588 53.8985 41.7920 177.0234 83 G 3.9403 7.5895 106.3328 46.0546 0.0000 173.5955 84 I 4.4102 7.9041 120.6427 58.9845 39.2842 175.1255 85 S 4.5843 8.5945 120.2742 56.3751 62.9272 172.1383 86 P 4.3053 0.0000 0.0000 61.0677 32.9244 176.2400 87 F 3.8129 8.3381 121.4446 61.2810 39.3018 175.5421 88 H 4.4179 7.8177 115.8848 54.7789 29.6315 175.4461 89 E 4.0025 8.3588 122.7140 59.3732 29.4617 176.4352 90 F 4.8916 6.9337 110.0466 57.0516 40.9656 173.0734 91 A 4.5964 8.7506 120.4687 50.1368 20.9331 174.9333 92 D 5.4533 9.0493 121.8923 51.8965 42.3452 175.9976 93 V 4.5100 8.8854 120.7618 61.2558 34.2882 174.1861 94 V 5.0790 8.5889 127.8186 61.1164 33.8058 174.4256 95 F 5.1076 8.5495 121.1605 55.9715 41.5181 173.4408 96 T 4.6584 8.7739 117.8308 63.5042 69.2641 173.7694 97 A 4.6489 9.0477 127.7792 50.5592 22.0640 175.9663 98 N 4.9451 10.0053 116.8366 53.4924 36.7087 176.0471 99 D 4.8367 8.5800 116.5540 54.6551 39.9264 176.8858 100 S 4.5578 7.8596 115.3424 57.5572 63.3941 173.1556 101 G 4.1799 8.5064 106.1071 44.6088 0.0000 173.8739 102 H 4.5597 8.7397 119.5815 55.8234 29.1590 175.1387 103 R 4.7867 9.1389 122.7352 54.6806 33.8803 174.4189 104 H 5.3236 9.0073 117.5206 54.6509 31.2755 173.8685 105 Y 5.1176 9.3540 119.7502 56.4693 41.6310 174.5737 106 T 4.9015 9.0687 120.6211 61.8758 71.5670 173.1476 107 I 4.6397 8.8611 128.4587 60.0364 38.7626 174.6744 108 A 5.2915 8.9593 129.3917 50.1007 22.0054 175.0115 109 A 5.1710 9.0895 122.1301 50.1270 23.2799 174.7791 110 L 5.1015 9.2193 124.0767 53.3087 44.7652 174.9411 111 L 5.3568 8.8771 126.5272 53.3250 44.2677 175.9196 112 S 5.2044 9.5466 118.9056 56.0007 67.0799 173.4059 113 P 3.1382 0.0000 0.0000 65.1036 31.0862 177.7457 114 Y 4.5319 7.7553 111.9117 57.3000 38.7496 174.9518 115 S 4.7378 8.0019 113.6125 57.5039 65.7142 172.5977 116 Y 5.4892 7.8001 122.4278 55.7997 41.0252 173.7240 117 S 4.9132 9.2113 115.2068 56.9080 65.6892 172.6436 118 T 5.2933 8.4848 119.0605 60.8926 70.5220 172.8690 119 T 4.8542 8.9853 122.7780 61.8058 73.3390 172.4262 120 A 5.0715 8.6180 125.7397 50.1519 21.6230 175.8727 121 V 4.2171 8.8016 122.9603 61.1511 33.6332 174.4417 122 V 4.7404 8.3769 128.1870 61.0112 33.5434 174.6475 123 S 4.7249 8.8059 121.7614 56.3311 66.9931 173.8241 124 N 4.3961 8.5491 117.8492 53.8798 38.7732 174.7748 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 9 K 8.30 4.25 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *11 P 0.00 4.60 0.00 2.22 2.78 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.06 0.00 12 L 7.65 4.97 0.00 0.80 1.16 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.06 4.97 0.00 1.87 1.85 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 2.45 2.42 0.00 14 V 8.21 4.90 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 0.74 0.00 0.00 0.89 0.00 0.00 15 K 9.09 5.01 0.00 1.64 1.60 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 16 V 8.99 4.82 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 0.87 0.00 0.00 0.81 0.00 0.00 17 L 9.05 5.10 0.00 1.57 1.52 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.03 5.26 0.00 2.69 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 19 A 9.26 4.26 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.54 3.85 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 0.97 0.00 0.00 1.05 0.00 0.00 21 R 8.81 4.29 0.00 1.91 2.02 0.00 3.39 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 22 G 8.27 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.40 4.77 0.00 3.88 3.96 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 24 P 0.00 4.71 0.00 2.04 2.16 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 25 A 8.54 4.37 0.51 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 26 V 8.45 4.15 2.13 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 0.82 0.00 0.00 1.05 0.00 0.00 27 D 8.47 4.42 0.00 2.86 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 28 V 7.78 3.85 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 0.45 0.00 0.00 29 A 8.67 4.46 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 30 V 9.12 4.73 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 0.92 0.00 0.00 0.92 0.00 0.00 31 K 8.79 4.63 0.00 1.70 1.21 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.29 7.81 32 V 8.72 4.73 2.27 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 1.24 0.00 0.00 0.92 0.00 0.00 33 F 9.45 5.58 0.00 2.86 3.18 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 0.00 34 K 9.47 4.66 0.00 1.53 1.62 0.00 1.19 0.00 0.00 1.63 0.00 0.00 2.56 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.98 0.25 7.81 35 K 8.85 4.16 0.00 1.03 1.30 0.00 1.15 0.00 0.00 1.40 0.00 0.00 2.56 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.97 0.37 7.81 36 T 8.31 4.29 4.16 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 1.19 0.00 0.00 37 S 8.43 4.05 0.00 3.82 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 38 E 7.92 3.92 0.00 2.01 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 2.18 2.22 0.00 39 G 7.49 3.86 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 0.00 40 S 7.59 4.45 0.00 3.64 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 41 W 8.41 5.18 0.00 2.95 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 42 E 9.06 4.67 0.00 2.15 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 0.00 2.60 2.44 0.00 43 P 0.00 4.50 0.00 2.00 2.04 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 44 F 8.95 4.83 0.00 3.07 3.25 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 45 A 7.66 4.57 1.15 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 46 S 7.50 4.70 0.00 3.86 3.65 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 0.00 0.00 0.00 0.00 47 G 7.62 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 0.00 0.00 0.00 48 K 8.34 5.32 0.00 1.57 1.64 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.37 7.81 49 T 8.44 4.12 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 1.17 0.00 0.00 50 A 8.50 4.59 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 51 E 8.66 4.04 0.00 2.09 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 0.00 2.27 2.30 0.00 52 S 7.96 4.13 0.00 4.00 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 53 G 8.40 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 54 E 7.87 5.10 0.00 1.91 1.66 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 2.17 2.35 0.00 55 L 8.93 4.93 0.00 1.60 1.40 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.74 5.04 0.00 2.98 3.13 0.00 6.07 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.71 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 58 L 8.07 4.01 0.00 1.57 1.71 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.30 4.45 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 1.08 0.00 0.00 60 T 8.09 4.78 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 1.22 0.00 0.00 61 D 8.76 4.60 0.00 2.74 2.80 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 62 E 8.29 4.15 0.00 2.01 2.07 0.00 0.00 0.00 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 2.27 0.00 63 K 7.99 4.31 0.00 1.83 1.97 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 64 F 8.21 5.02 0.00 3.20 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 65 V 7.63 4.05 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 0.84 0.00 0.00 1.00 0.00 0.00 66 E 8.67 4.09 0.00 1.99 1.78 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 2.33 2.37 0.00 67 G 7.75 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 0.00 0.00 0.00 68 V 7.26 4.69 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 1.11 0.00 0.00 0.86 0.00 0.00 69 Y 8.70 5.17 0.00 1.95 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 70 R 9.01 4.72 0.00 0.67 0.97 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.11 0.00 71 V 8.93 4.71 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 0.97 0.00 0.00 1.14 0.00 0.00 72 E 9.14 4.99 0.00 1.92 1.78 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 2.09 1.90 0.00 73 L 8.83 4.86 0.00 1.51 1.46 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.91 5.16 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 75 T 7.99 4.02 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 1.17 0.00 0.00 76 K 8.19 4.15 0.00 2.19 1.94 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.59 7.81 77 S 8.33 4.14 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 78 Y 7.63 3.94 0.00 2.92 2.84 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 79 W 8.08 4.38 0.00 3.53 3.32 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 80 K 8.44 4.34 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 81 T 7.92 3.95 4.21 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 1.15 0.00 0.00 82 L 7.04 4.51 0.00 1.89 1.69 0.37 0.72 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 83 G 7.59 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 84 I 7.90 4.41 2.24 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.54 0.77 0.00 0.00 85 S 8.59 4.58 0.00 3.97 3.92 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 0.00 0.00 0.00 86 P 0.00 4.31 0.00 2.19 1.94 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 87 F 8.34 3.81 0.00 1.95 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 88 H 7.82 4.42 0.00 3.23 3.35 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.36 4.00 0.00 1.26 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 2.07 2.09 0.00 90 F 6.93 4.89 0.00 3.02 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 91 A 8.75 4.60 0.30 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 92 D 9.05 5.45 0.00 2.60 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 93 V 8.89 4.51 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 1.12 0.00 0.00 0.99 0.00 0.00 94 V 8.59 5.08 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 0.88 0.00 0.00 95 F 8.55 5.11 0.00 3.15 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 96 T 8.77 4.66 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 1.33 0.00 0.00 97 A 9.05 4.65 0.69 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 0.00 0.00 98 N 10.01 4.95 0.00 2.69 2.73 0.00 0.00 6.66 8.27 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 99 D 8.58 4.84 0.00 2.78 2.82 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 0.00 0.00 0.00 100 S 7.86 4.56 0.00 3.79 3.92 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 0.00 0.00 0.00 101 G 8.51 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 0.00 0.00 0.00 0.00 102 H 8.74 4.56 0.00 3.20 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.14 4.79 0.00 1.25 1.44 0.00 3.28 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 104 H 9.01 5.32 0.00 2.95 3.14 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.35 5.12 0.00 2.85 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 0.00 106 T 9.07 4.90 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 1.18 0.00 0.00 107 I 8.86 4.64 1.84 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.00 0.89 0.00 0.00 108 A 8.96 5.29 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.09 5.17 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 0.00 110 L 9.22 5.10 0.00 1.77 1.58 0.98 0.44 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 0.00 111 L 8.88 5.36 0.00 1.83 2.01 0.55 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.55 5.20 0.00 3.89 3.72 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 0.00 113 P 0.00 3.14 0.00 2.07 1.57 0.00 3.31 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.69 0.00 114 Y 7.76 4.53 0.00 2.80 2.82 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 0.00 0.00 0.00 115 S 8.00 4.74 0.00 3.82 3.70 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 0.00 116 Y 7.80 5.49 0.00 3.09 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 0.00 117 S 9.21 4.91 0.00 3.92 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.48 5.29 4.40 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 1.34 0.00 0.00 119 T 8.99 4.85 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 0.00 120 A 8.62 5.07 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 0.00 121 V 8.80 4.22 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 0.91 0.00 0.00 0.91 0.00 0.00 122 V 8.38 4.74 1.98 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 0.46 0.00 0.00 0.96 0.00 0.00 123 S 8.81 4.72 0.00 3.81 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 0.00 124 N 8.55 4.40 0.00 2.66 2.69 0.00 0.00 6.86 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.