NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2570 8.3444 119.1223 54.8677 29.4179 173.8926 4 D 4.6782 8.4979 123.8972 51.8080 42.1121 174.7413 5 H 4.7511 9.6302 124.0598 56.0371 31.2947 175.1212 6 I 3.8836 7.8771 118.7394 61.0716 37.7557 175.0355 7 R 3.9425 9.3719 119.8672 55.8606 27.2817 176.2234 8 Y 4.0942 7.8932 119.0751 60.6094 38.2345 176.7695 9 D 4.5457 8.3449 119.7718 57.0872 39.3333 178.9848 10 I 3.7403 7.7666 120.9061 63.6484 37.2222 178.3326 11 L 4.0512 7.6674 119.0605 57.5766 41.4441 179.2912 12 A 4.0837 8.9170 121.7952 55.1877 18.2593 179.7253 13 Q 4.1679 8.5044 116.9867 59.3203 28.6127 178.5764 14 D 4.2170 7.8905 117.2656 56.8651 41.5216 177.9091 15 A 4.1040 7.9048 121.1135 55.2685 18.4677 179.6560 16 L 4.0144 8.3856 117.9467 57.9300 41.1625 179.7067 17 R 3.8941 8.3777 118.9557 59.1900 29.7231 178.7050 18 G 3.4985 7.9724 105.2465 46.9235 0.0000 176.0851 19 V 3.4627 7.9203 121.3380 66.1068 31.5869 178.0907 20 I 3.1072 7.4485 118.9011 64.0957 36.6930 178.5868 21 R 3.6429 7.0974 118.2997 58.9113 29.8707 179.0930 22 K 3.9436 7.6203 118.5439 59.5565 32.7932 179.4928 23 V 3.4477 7.7730 119.6527 65.9472 31.5144 178.0204 24 L 4.0341 7.8634 118.8416 57.7449 41.2975 179.9284 25 G 3.6684 8.4753 108.5823 48.2585 0.0000 176.3828 26 E 4.0668 8.2840 120.7872 60.8514 29.6590 182.3856 27 V 3.8593 7.8546 118.5399 65.9232 31.4403 177.9954 28 A 4.0598 8.0786 119.2879 55.5591 18.1827 178.7447 29 A 4.0481 7.6915 118.8577 55.7540 18.4443 179.6706 30 T 4.0092 7.8670 108.6824 64.2896 69.2652 175.0419 31 G 4.1659 7.8461 109.5383 44.2272 0.0000 173.6313 32 R 4.8839 8.5188 116.1386 53.9373 32.4891 175.1115 33 L 4.2086 8.6243 121.0975 53.9934 42.6288 175.0351 34 P 4.5917 0.0000 0.0000 63.2157 33.4092 176.5210 35 G 3.6663 8.2229 109.2592 47.6774 0.0000 173.7544 36 D 4.7722 8.6132 124.3861 54.0597 40.9028 175.9574 37 H 4.3661 7.9858 117.9977 56.2022 29.2612 174.4691 38 H 4.2897 8.0630 117.2260 54.2709 31.7976 172.0651 39 F 5.0702 7.8935 118.4801 55.8145 42.2383 174.4803 40 F 4.8028 9.5761 122.9312 56.1982 40.6646 174.8513 41 I 5.0141 8.7685 126.1263 59.9196 39.5552 174.9380 42 T 5.1595 9.2428 125.2507 61.9294 70.7650 174.0207 43 F 5.3414 8.6693 120.0093 55.2766 42.9456 173.0644 44 L 4.7839 8.5376 118.8658 53.5087 41.7161 178.6191 45 T 3.8490 8.8133 116.2248 63.7871 69.1119 176.9259 46 G 3.6065 7.9661 110.3773 47.4772 0.0000 174.1298 47 A 4.0710 7.4298 121.5684 51.4133 18.9714 175.1752 48 P 4.3830 0.0000 0.0000 63.9342 31.9883 177.0887 49 G 3.9025 8.8140 108.9035 45.1733 0.0000 173.6284 50 V 3.9446 7.0345 119.0328 62.8145 32.4071 175.8970 51 R 4.6701 9.0455 127.4421 54.2843 31.9359 174.4635 52 I 5.0444 8.0405 116.2885 58.4421 41.1950 175.5791 53 S 4.3876 8.7138 119.9851 58.5726 64.0162 175.8155 54 Q 4.1194 8.7027 123.0083 60.5515 27.6688 179.1509 55 H 4.3287 8.3202 118.9486 59.7742 29.7979 177.2258 56 L 3.9720 7.6170 119.2737 57.5450 41.2815 179.4508 57 K 3.9371 8.3883 119.0510 59.1486 32.1190 178.4988 58 S 4.3703 7.8086 114.7362 60.7460 63.1757 176.0968 59 K 4.0321 7.8884 121.5190 57.3266 31.9335 176.2996 60 Y 4.4028 7.5925 116.3708 55.5664 39.6926 174.7217 61 A 4.0417 8.3741 129.1763 54.4573 19.3176 177.6256 62 E 4.4618 7.8858 109.6881 55.3045 32.8023 175.8703 63 Q 5.1448 7.5449 114.7722 53.1913 31.7019 174.3127 *65 T 4.3738 8.1546 114.3365 63.8724 69.4905 173.6318 66 I 4.6914 8.7619 120.2235 59.1546 40.8770 174.6575 67 V 4.2762 8.1318 122.6584 61.1598 34.0587 174.6686 68 I 3.8868 8.4191 129.7705 60.2864 37.7847 174.9621 69 Q 4.3072 8.7165 127.5717 56.1821 33.9594 174.6805 70 H 4.7398 8.1231 114.5720 57.1709 30.3994 175.9198 71 Q 4.5781 7.8955 120.4633 53.5651 28.3057 174.3881 72 F 5.1983 7.7814 115.5530 54.4987 41.5680 174.7957 73 W 5.0880 8.2352 118.1984 55.5428 31.1762 170.7166 74 D 4.3375 8.8288 123.5781 53.9391 40.2862 173.5034 *76 K 4.0049 8.2398 122.1776 56.1938 32.7692 174.4868 77 V 4.3836 8.3759 126.4081 62.1821 32.6943 174.8283 78 T 4.8876 8.4501 125.3033 61.3521 69.8155 173.2582 79 E 4.3101 8.8664 114.6673 59.2794 30.5604 173.8677 80 T 4.2286 8.0773 114.4362 64.7209 68.7721 172.6537 81 G 2.9323 7.0450 111.9413 45.3810 0.0000 173.5753 82 F 5.4742 8.8978 121.3040 55.4949 41.8560 172.7395 83 E 4.9644 9.1107 118.5832 54.7410 32.5226 175.5857 84 I 4.5904 8.8336 122.8433 59.3720 42.4721 173.6046 85 G 3.2415 8.1819 113.9205 43.5885 0.0000 172.1629 86 L 5.5011 8.0470 123.9208 53.0546 47.0088 174.9305 87 S 5.0912 8.3726 113.9527 56.6783 65.4655 173.7042 88 F 4.7101 8.7451 122.1535 56.3483 40.7636 175.5538 89 S 3.8353 9.8328 122.0857 59.5990 61.5199 172.9873 90 D 4.5508 8.4799 116.6155 55.8167 38.7724 173.9304 91 T 4.5027 7.6898 115.0205 59.3092 68.2998 171.7376 92 P 5.0446 0.0000 0.0000 63.4699 32.3329 175.6122 93 E 5.0396 10.0639 121.2653 54.6102 34.3839 174.2902 94 K 4.8306 8.7719 122.4072 54.6144 34.9024 175.1078 95 L 4.8976 9.1262 126.8647 52.8043 45.5618 175.5550 96 V 4.3823 8.2658 123.1079 61.1855 33.9675 174.3531 97 I 4.3406 7.9559 130.2510 58.3928 39.5446 173.7233 98 P 4.4466 0.0000 0.0000 62.1323 32.4455 176.7740 99 Y 4.3658 8.1258 119.7266 61.7507 37.9281 178.2754 100 N 4.5787 8.2019 113.1920 54.2457 39.1320 175.2611 101 A 4.5036 8.4993 121.9149 52.7631 19.9474 177.5462 102 I 4.4475 7.4141 117.2400 61.7021 37.8267 175.6217 103 R 4.6680 9.8367 125.7749 57.5996 32.2124 175.9631 104 G 4.6362 8.0478 103.6554 44.7700 0.0000 171.6484 105 F 5.4592 9.3990 123.6198 56.5580 42.8529 172.7963 106 Y 5.3370 9.0916 127.1310 56.0487 42.7162 173.5133 107 D 5.0420 8.7674 125.5522 50.1778 42.1002 173.8849 108 P 3.6459 0.0000 0.0000 64.0351 31.8680 178.5539 109 S 4.1175 7.3675 111.0532 61.0448 62.1073 175.4727 110 V 4.3634 7.5876 110.9328 61.7064 33.0791 175.4069 111 N 4.2344 7.5312 114.2249 54.8626 37.5763 173.9252 112 F 5.1351 7.8828 121.6856 56.6266 42.3281 174.2433 113 E 5.1932 8.5253 126.3132 54.3297 32.7403 174.6269 114 L 4.5946 9.0945 124.7130 52.8719 45.7572 175.3811 115 E 4.8960 8.0852 120.5784 54.6550 33.3541 174.5866 116 F 4.9413 8.9825 120.2191 56.3309 43.7784 175.6329 117 D 4.7480 9.0220 123.0833 53.4299 39.2108 177.5417 118 V 3.8629 8.0338 119.9335 62.7689 32.3878 175.0685 119 P 4.5094 0.0000 0.0000 63.0746 31.0137 175.9827 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 3 Q 8.34 4.26 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 D 8.50 4.68 0.00 2.75 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 5 H 9.63 4.75 0.00 3.10 3.29 0.00 5.74 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 6 I 7.88 3.88 1.26 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.21 0.00 0.00 7 R 9.37 3.94 0.00 1.73 1.90 0.00 3.26 0.00 0.00 3.23 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 8 Y 7.89 4.09 0.00 3.04 2.99 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 9 D 8.34 4.55 0.00 2.91 3.01 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 10 I 7.77 3.74 1.87 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 1.64 0.84 0.91 0.00 0.00 11 L 7.67 4.05 0.00 1.97 1.76 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.92 4.08 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 13 Q 8.50 4.17 0.00 2.36 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 14 D 7.89 4.22 0.00 2.68 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.10 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 4.01 0.00 1.98 1.92 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.38 3.89 0.00 1.69 1.91 0.00 2.98 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 18 G 7.97 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.92 3.46 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 0.90 0.00 0.00 20 I 7.45 3.11 1.70 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.65 0.71 0.00 0.00 21 R 7.10 3.64 0.00 1.74 1.68 0.00 2.82 0.00 0.00 2.78 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.21 0.00 22 K 7.62 3.94 0.00 1.86 1.97 0.00 1.24 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.33 7.81 23 V 7.77 3.45 1.84 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 0.75 0.00 0.00 0.81 0.00 0.00 24 L 7.86 4.03 0.00 1.64 1.48 0.03 0.47 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 25 G 8.48 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 0.00 0.00 0.00 26 E 8.28 4.07 0.00 1.99 1.97 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 2.24 2.18 0.00 27 V 7.85 3.86 2.28 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 1.04 0.00 0.00 1.16 0.00 0.00 28 A 8.08 4.06 1.40 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 0.00 0.00 29 A 7.69 4.05 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 30 T 7.87 4.01 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 1.27 0.00 0.00 31 G 7.85 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.52 4.88 0.00 1.88 1.89 0.00 3.10 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 33 L 8.62 4.21 0.00 1.65 1.63 0.46 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.59 0.00 2.27 2.20 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 35 G 8.22 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 0.00 0.00 0.00 36 D 8.61 4.77 0.00 2.63 2.69 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 37 H 7.99 4.37 0.00 3.30 3.24 0.00 5.87 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.06 4.29 0.00 3.13 3.12 0.00 5.40 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 39 F 7.89 5.07 0.00 2.77 2.03 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 40 F 9.58 4.80 0.00 3.14 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 41 I 8.77 5.01 2.04 0.00 0.00 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 1.36 0.77 1.18 0.00 0.00 42 T 9.24 5.16 4.38 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 1.31 0.00 0.00 43 F 8.67 5.34 0.00 3.26 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 44 L 8.54 4.78 0.00 1.69 1.63 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.81 3.85 4.13 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 0.73 0.00 0.00 46 G 7.97 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 47 A 7.43 4.07 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 48 P 0.00 4.38 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 49 G 8.81 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 50 V 7.03 3.94 2.24 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 0.99 0.00 0.00 1.15 0.00 0.00 51 R 9.05 4.67 0.00 1.73 1.79 0.00 3.14 0.00 0.00 3.33 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 52 I 8.04 5.04 1.88 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 1.42 0.67 1.01 0.00 0.00 53 S 8.71 4.39 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 54 Q 8.70 4.12 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 55 H 8.32 4.33 0.00 3.25 3.40 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.62 3.97 0.00 1.71 1.57 0.75 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.39 3.94 0.00 1.89 1.84 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.62 7.81 58 S 7.81 4.37 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 59 K 7.89 4.03 0.00 1.72 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.42 1.13 7.81 60 Y 7.59 4.40 0.00 2.88 2.89 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 61 A 8.37 4.04 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 62 E 7.89 4.46 0.00 1.96 1.89 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 2.25 2.23 0.00 63 Q 7.54 5.14 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.51 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 *65 T 8.15 4.37 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 1.45 0.00 0.00 66 I 8.76 4.69 2.02 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 1.45 0.75 1.15 0.00 0.00 67 V 8.13 4.28 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 0.33 0.00 0.00 0.08 0.00 0.00 68 I 8.42 3.89 1.61 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 0.99 0.99 0.21 0.00 0.00 69 Q 8.72 4.31 0.00 1.72 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.85 0.00 0.00 0.00 0.00 0.00 1.55 2.07 0.00 70 H 8.12 4.74 0.00 3.17 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.90 4.58 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 72 F 7.78 5.20 0.00 3.06 2.92 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 73 W 8.24 5.09 0.00 3.56 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 74 D 8.83 4.34 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *76 K 8.24 4.00 0.00 1.86 1.90 0.00 1.74 0.00 0.00 1.97 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.48 7.81 77 V 8.38 4.38 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 0.98 0.00 0.00 1.05 0.00 0.00 78 T 8.45 4.89 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 1.24 0.00 0.00 79 E 8.87 4.31 0.00 2.03 1.84 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 2.21 1.86 0.00 80 T 8.08 4.23 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 1.14 0.00 0.00 81 G 7.05 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 0.00 0.00 0.00 82 F 8.90 5.47 0.00 3.04 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 83 E 9.11 4.96 0.00 1.78 1.75 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 2.09 2.12 0.00 84 I 8.83 4.59 2.11 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 1.16 1.15 0.83 0.00 0.00 85 G 8.18 3.24 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 86 L 8.05 5.50 0.00 1.20 1.18 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.37 5.09 0.00 3.86 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 88 F 8.75 4.71 0.00 3.27 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 89 S 9.83 3.84 0.00 4.19 4.12 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 90 D 8.48 4.55 0.00 2.91 2.92 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 91 T 7.69 4.50 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 1.35 0.00 0.00 92 P 0.00 5.04 0.00 2.12 2.21 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 93 E 10.06 5.04 0.00 2.25 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 0.00 2.75 2.87 0.00 94 K 8.77 4.83 0.00 1.80 1.68 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 95 L 9.13 4.90 0.00 1.32 1.24 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.27 4.38 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 0.93 0.00 0.00 0.82 0.00 0.00 97 I 7.96 4.34 0.83 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 -0.31 0.25 0.00 0.00 98 P 0.00 4.45 0.00 2.16 2.07 0.00 3.60 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 2.03 2.13 0.00 99 Y 8.13 4.37 0.00 3.04 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 0.00 100 N 8.20 4.58 0.00 2.72 2.86 0.00 0.00 6.78 7.35 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 0.00 101 A 8.50 4.50 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.41 4.45 2.13 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.74 1.30 0.00 0.00 103 R 9.84 4.67 0.00 1.96 2.13 0.00 3.13 0.00 0.00 3.22 7.17 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 G 8.05 4.64 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 0.00 0.00 0.00 105 F 9.40 5.46 0.00 3.26 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 9.09 5.34 0.00 2.89 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 0.00 107 D 8.77 5.04 0.00 3.01 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 0.00 108 P 0.00 3.65 0.00 2.08 1.89 0.00 3.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.89 0.00 109 S 7.37 4.12 0.00 3.98 4.17 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 0.00 0.00 0.00 0.00 110 V 7.59 4.36 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 0.75 0.00 0.00 1.12 0.00 0.00 111 N 7.53 4.23 0.00 2.86 2.93 0.00 0.00 6.77 6.73 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 0.00 112 F 7.88 5.14 0.00 3.20 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 0.00 113 E 8.53 5.19 0.00 1.90 1.60 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 1.99 2.33 0.00 114 L 9.09 4.59 0.00 1.35 0.92 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.09 4.90 0.00 1.60 1.67 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 2.06 2.11 0.00 116 F 8.98 4.94 0.00 2.91 2.90 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 0.00 117 D 9.02 4.75 0.00 2.73 2.67 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 0.00 118 V 8.03 3.86 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 0.77 0.00 0.00 0.93 0.00 0.00 119 P 0.00 4.51 0.00 2.18 2.09 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.