NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4184 8.3033 120.1790 55.7564 31.9962 174.6803 3 K 4.3592 8.3487 119.4303 55.3524 32.7195 176.8537 4 I 3.6705 8.5020 122.2254 64.4493 38.6312 178.0464 5 T 3.6643 8.0357 110.2520 64.6775 68.2610 175.7422 6 K 3.8972 8.2376 122.6206 59.3301 31.8726 178.4541 7 V 3.7895 7.6655 117.9200 63.8230 31.2440 177.2477 8 Y 4.4955 7.9137 117.6055 59.7401 37.8450 175.7974 9 E 4.6299 7.9435 115.8130 56.0083 29.8908 176.6777 10 L 4.2481 7.9400 118.8000 56.3861 42.1026 176.0647 11 G 4.7520 7.8804 105.5482 45.0898 0.0000 172.0801 12 N 4.9066 8.4868 114.0435 51.8881 38.1600 174.7936 13 E 4.0599 8.2181 119.1977 56.6076 30.2051 176.3093 14 P 4.2616 0.0000 0.0000 65.6332 31.7334 177.3405 15 E 4.3337 8.1510 113.5912 56.7388 30.3047 178.1420 16 R 2.5100 7.5409 120.2661 59.1919 30.0339 177.8747 17 K 4.0182 8.0283 118.8354 59.8025 32.0767 178.2211 18 L 3.9961 7.8904 119.7906 57.7769 42.0842 178.4892 19 W 4.0850 8.2678 128.4321 60.3762 30.7052 177.9922 20 V 3.7008 8.5097 118.5940 66.4691 31.0418 177.8470 21 D 4.5067 8.4394 118.5037 57.1250 40.6132 178.8506 22 R 3.8033 8.0735 119.5142 59.4013 29.8749 177.9747 23 Y 2.8315 7.5362 118.3214 60.3543 38.7214 177.6858 24 L 3.6958 7.9808 118.7179 57.8664 41.8386 179.4016 25 T 3.9931 7.7335 115.9239 66.1968 68.2951 176.9709 26 F 4.4352 7.6516 119.6168 58.8440 39.1253 176.5145 *28 E 4.0885 8.1226 118.1470 55.8045 31.2344 177.7506 29 E 3.8021 8.0125 118.5762 58.9092 29.6156 177.5620 30 R 4.0037 7.4237 112.3942 56.0134 29.7629 177.0730 31 G 3.8369 8.1857 107.4033 45.5897 0.0000 174.2531 32 S 4.6458 7.1789 111.5616 55.3639 62.6771 172.3568 33 P 4.0320 0.0000 0.0000 63.7451 31.8440 176.6819 34 V 4.2522 8.1470 120.7187 61.6079 32.2422 174.8419 35 S 4.6443 8.6500 122.4477 59.0368 65.2481 174.0510 36 S 5.2035 7.8993 115.0533 56.1685 64.9116 174.0345 37 L 4.1031 8.6329 126.8938 54.3727 42.3490 175.1762 38 P 4.4863 0.0000 0.0000 62.9462 32.5799 175.1199 39 A 4.7840 8.2115 122.4964 50.9167 22.0121 176.5294 40 V 4.1864 8.3549 120.9479 61.7954 33.3999 177.6751 41 G 3.8341 9.1138 121.7488 46.4022 0.0000 172.9792 42 K 4.3517 9.1344 122.3954 56.9416 34.4716 175.7602 43 K 4.2023 7.7616 118.3277 55.1876 32.6808 174.5665 44 P 4.4311 0.0000 0.0000 62.4552 31.8510 175.5336 45 L 4.4222 8.2830 124.8697 53.3075 43.0025 176.6986 46 D 4.5651 8.4285 126.1673 53.5763 40.5128 175.9804 47 L 4.0128 8.2581 127.4233 57.2092 41.7687 178.8708 48 F 2.8243 8.0524 120.2113 60.9991 39.4452 177.0603 49 R 3.4139 8.0733 118.2871 58.9424 29.8455 178.1243 50 L 3.9062 7.8546 120.2246 58.2637 42.1317 178.3349 51 Y 4.1802 7.9817 119.5101 60.7392 38.7269 178.2121 52 V 3.2199 7.3107 119.0072 66.1931 31.5756 177.8494 53 C 4.6477 7.8900 117.7699 62.0946 27.9078 176.2556 54 V 3.2734 7.6523 120.0418 65.5563 30.8647 178.0581 55 K 3.8105 7.7083 119.5429 59.1899 32.0539 178.6495 56 E 3.8481 7.9730 118.9587 59.6066 29.2006 179.5338 57 I 3.7261 7.4179 118.4229 63.2792 37.0909 176.5734 58 G 3.7106 7.9012 106.8279 45.1085 0.0000 173.8447 59 G 3.9006 8.9271 107.2209 44.1533 0.0000 174.6686 60 L 3.9047 9.2824 119.5699 58.5291 41.7454 178.9062 61 A 4.0335 8.1614 119.6681 55.4997 18.2499 179.5054 62 Q 3.8677 7.9589 115.9456 58.9407 28.8941 178.8046 63 V 3.2063 7.7635 119.4573 65.6723 31.3547 177.8644 64 N 4.4341 8.2547 116.2458 56.3031 38.2756 177.0795 65 K 3.8776 7.9938 119.7613 59.5699 32.3582 177.6014 66 N 4.5505 8.2612 113.4093 51.9615 39.6393 175.0282 67 K 3.7876 7.5266 119.4403 57.4375 30.2971 175.8742 68 K 4.2920 7.6271 115.3615 56.1778 32.8169 178.2846 69 W 4.3469 7.6905 120.9411 59.8481 29.0001 178.1089 70 R 3.9770 8.0512 118.2635 59.2784 29.5881 177.9876 71 E 3.9316 8.0923 118.7219 59.2285 29.6353 178.6517 72 L 3.9282 8.0903 118.8472 57.7319 41.6946 179.2588 73 A 4.0669 8.2660 120.7422 55.4615 18.2883 179.8725 74 T 3.8204 8.0405 114.0876 67.0306 68.3817 176.7863 75 N 4.3934 8.3302 117.2372 55.7853 38.6205 176.5458 76 L 4.2894 8.1253 118.0150 53.6559 42.9314 175.9688 77 N 4.2508 7.9607 115.5514 55.0706 36.1884 174.6190 78 V 4.4143 8.2058 104.6607 61.6534 33.3761 176.4427 79 G 4.2117 8.2633 106.2619 44.8939 0.0000 174.6627 80 T 4.5033 8.2669 108.3260 60.5508 70.1246 174.7689 81 S 4.5303 7.7000 118.3420 57.9507 65.6449 174.8918 82 S 4.2353 8.4432 117.3026 61.3561 62.5240 176.8897 83 S 4.0477 8.0325 115.6381 61.2199 62.1518 175.8493 84 A 3.9938 8.0510 123.3432 55.0395 18.1357 179.4581 85 A 4.0243 8.0723 119.3403 55.4908 18.6038 180.0924 86 S 3.9455 8.3425 113.9146 61.7856 62.8458 177.1482 87 S 4.0823 8.1001 117.8707 61.3769 62.4755 176.4394 88 L 3.9184 8.1096 123.3073 58.0349 41.8555 178.9126 89 K 2.4800 7.3940 119.4204 58.7335 31.8007 178.9512 90 K 3.9093 7.5613 118.3947 59.5709 31.9188 179.4019 91 Q 4.2069 8.2651 118.4448 59.0219 28.6210 178.1582 92 Y 4.1114 8.3951 120.9851 60.8067 38.4105 178.2488 93 I 3.9105 7.9635 120.6527 64.7368 37.0279 178.5626 94 Q 3.8055 8.2620 117.6740 58.6185 28.5825 177.4563 95 Y 4.5529 8.4350 116.5122 58.9201 39.0398 177.0428 96 L 4.8895 8.2762 118.4226 54.7795 43.7784 178.4517 97 F 4.2711 7.6398 120.5000 61.3406 39.2244 176.8363 98 A 4.0243 8.2740 119.8445 55.1306 18.1661 179.2468 99 F 3.5516 8.3612 118.6042 61.1589 39.4788 176.6280 100 E 3.9669 8.4780 119.1305 59.5087 29.4723 178.2935 101 C 3.8473 7.9061 118.7826 62.4655 31.6550 175.6857 102 K 3.9568 8.1493 120.2815 59.4654 31.5187 179.5293 103 I 4.0663 7.5290 121.4188 63.8093 36.7923 178.0103 104 E 3.8783 8.0865 119.2792 59.2050 29.5639 178.1987 105 R 4.1543 7.8514 115.9018 56.5620 30.3241 177.1051 106 G 3.9517 8.0061 105.9333 46.4365 0.0000 174.6226 107 E 4.0707 8.0997 119.8477 58.2722 29.9658 177.1329 108 E 4.6311 7.7880 118.7811 53.3392 31.3330 173.7021 109 P 4.5422 0.0000 0.0000 61.5512 32.1102 174.4772 110 P 4.2725 0.0000 0.0000 62.0695 31.8644 174.5367 111 P 4.4922 0.0000 0.0000 63.3095 31.2604 176.1502 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 E 8.30 4.42 0.00 1.95 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 0.00 2.31 2.36 0.00 3 K 8.35 4.36 0.00 1.92 1.74 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 4 I 8.50 3.67 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.41 0.96 0.00 0.00 5 T 8.04 3.66 4.48 0.00 0.00 0.00 0.00 0.00 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 6 K 8.24 3.90 0.00 1.92 1.99 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.51 7.81 7 V 7.67 3.79 2.01 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 0.54 0.00 0.00 0.95 0.00 0.00 8 Y 7.91 4.50 0.00 3.08 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 9 E 7.94 4.63 0.00 2.11 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 0.00 2.43 2.30 0.00 10 L 7.94 4.25 0.00 1.70 1.78 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.88 4.75 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 0.00 0.00 0.00 12 N 8.49 4.91 0.00 2.82 2.92 0.00 0.00 5.97 7.66 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 13 E 8.22 4.06 0.00 2.20 2.32 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 2.67 2.54 0.00 14 P 0.00 4.26 0.00 2.08 2.13 0.00 3.73 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 2.06 2.10 0.00 15 E 8.15 4.33 0.00 2.29 2.29 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 2.69 2.50 0.00 16 R 7.54 2.51 0.00 1.39 1.86 0.00 3.19 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.14 0.00 17 K 8.03 4.02 0.00 1.80 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.30 1.28 7.81 18 L 7.89 4.00 0.00 1.84 1.73 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 W 8.27 4.08 0.00 3.78 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 20 V 8.51 3.70 2.53 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 0.77 0.00 0.00 1.16 0.00 0.00 21 D 8.44 4.51 0.00 2.77 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 22 R 8.07 3.80 0.00 2.04 1.98 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 23 Y 7.54 2.83 0.00 1.43 2.26 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 24 L 7.98 3.70 0.00 1.52 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.73 3.99 4.36 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 1.18 0.00 0.00 26 F 7.65 4.44 0.00 3.03 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 *28 E 8.12 4.09 0.00 2.20 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 2.21 2.19 0.00 29 E 8.01 3.80 0.00 1.87 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 0.00 2.20 2.19 0.00 30 R 7.42 4.00 0.00 1.72 1.51 0.00 2.21 0.00 0.00 2.72 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.24 0.00 31 G 8.19 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 0.00 0.00 0.00 32 S 7.18 4.65 0.00 3.79 3.73 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 33 P 0.00 4.03 0.00 2.14 2.02 0.00 3.74 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 34 V 8.15 4.25 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 1.11 0.00 0.00 1.11 0.00 0.00 35 S 8.65 4.64 0.00 3.94 4.08 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 0.00 0.00 0.00 0.00 36 S 7.90 5.20 0.00 3.82 3.83 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 37 L 8.63 4.10 0.00 1.83 1.56 0.94 1.04 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 38 P 0.00 4.49 0.00 1.66 0.95 0.00 3.46 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 1.32 1.28 0.00 39 A 8.21 4.78 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 40 V 8.35 4.19 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 0.85 0.00 0.00 0.94 0.00 0.00 41 G 9.11 3.83 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 0.00 0.00 0.00 42 K 9.13 4.35 0.00 1.71 1.82 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 43 K 7.76 4.20 0.00 1.91 1.78 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.64 1.52 7.81 44 P 0.00 4.43 0.00 2.03 1.98 0.00 3.64 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 2.03 2.07 0.00 45 L 8.28 4.42 0.00 1.52 1.52 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.43 4.57 0.00 2.76 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 47 L 8.26 4.01 0.00 1.75 1.68 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.05 2.82 0.00 2.87 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 49 R 8.07 3.41 0.00 1.92 1.84 0.00 3.07 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 50 L 7.85 3.91 0.00 1.93 1.92 1.16 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.98 4.18 0.00 3.20 2.62 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 52 V 7.31 3.22 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 0.74 0.00 0.00 0.11 0.00 0.00 53 C 7.89 4.65 0.00 2.92 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 54 V 7.65 3.27 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 0.54 0.00 0.00 0.52 0.00 0.00 55 K 7.71 3.81 0.00 1.36 1.64 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.31 7.81 56 E 7.97 3.85 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 57 I 7.42 3.73 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.38 0.72 0.00 0.00 58 G 7.90 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 59 G 8.93 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 60 L 9.28 3.90 0.00 2.21 2.01 1.26 0.46 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 61 A 8.16 4.03 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 62 Q 7.96 3.87 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 63 V 7.76 3.21 1.50 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 -1.10 0.00 0.00 0.34 0.00 0.00 64 N 8.25 4.43 0.00 3.02 2.93 0.00 0.00 6.63 6.76 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 65 K 7.99 3.88 0.00 1.79 1.95 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 66 N 8.26 4.55 0.00 2.65 2.73 0.00 0.00 7.26 7.16 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 67 K 7.53 3.79 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.53 7.81 68 K 7.63 4.29 0.00 1.35 1.53 0.00 1.55 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 69 W 7.69 4.35 0.00 3.41 3.36 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 70 R 8.05 3.98 0.00 1.93 1.95 0.00 3.21 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 71 E 8.09 3.93 0.00 2.03 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 2.32 2.37 0.00 72 L 8.09 3.93 0.00 1.95 1.72 0.41 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.27 4.07 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.04 3.82 4.45 0.00 0.00 0.00 0.00 0.00 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 75 N 8.33 4.39 0.00 2.78 2.85 0.00 0.00 7.11 7.41 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 76 L 8.13 4.29 0.00 1.67 1.72 1.00 1.04 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 77 N 7.96 4.25 0.00 2.89 2.88 0.00 0.00 6.70 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 78 V 8.21 4.41 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 0.74 0.00 0.00 1.00 0.00 0.00 79 G 8.26 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 0.00 0.00 0.00 0.00 80 T 8.27 4.50 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 81 S 7.70 4.53 0.00 4.08 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 0.00 82 S 8.44 4.24 0.00 3.90 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 83 S 8.03 4.05 0.00 3.89 3.85 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 84 A 8.05 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.95 0.00 3.96 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 87 S 8.10 4.08 0.00 4.01 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 88 L 8.11 3.92 0.00 1.88 1.87 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.39 2.48 0.00 0.79 1.29 0.00 1.29 0.00 0.00 1.35 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.02 0.72 7.81 90 K 7.56 3.91 0.00 2.01 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.56 7.81 91 Q 8.27 4.21 0.00 2.28 2.26 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 2.63 2.55 0.00 92 Y 8.40 4.11 0.00 3.31 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 93 I 7.96 3.91 2.05 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 1.54 0.93 0.93 0.00 0.00 94 Q 8.26 3.81 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 95 Y 8.44 4.55 0.00 3.09 3.17 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 96 L 8.28 4.89 0.00 0.76 1.65 1.23 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.64 4.27 0.00 3.16 3.34 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 98 A 8.27 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.36 3.55 0.00 3.04 3.27 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 0.00 0.00 0.00 0.00 100 E 8.48 3.97 0.00 2.37 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 0.00 2.35 2.46 0.00 101 C 7.91 3.85 0.00 2.18 2.81 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 0.00 0.00 0.00 0.00 102 K 8.15 3.96 0.00 1.79 1.77 0.00 2.03 0.00 0.00 1.78 0.00 0.00 3.41 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.98 7.81 103 I 7.53 4.07 1.80 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.07 0.80 0.00 0.00 104 E 8.09 3.88 0.00 2.03 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 0.00 2.32 2.48 0.00 105 R 7.85 4.15 0.00 1.85 1.99 0.00 3.38 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 106 G 8.01 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 0.00 107 E 8.10 4.07 0.00 2.12 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 2.35 2.28 0.00 108 E 7.79 4.63 0.00 1.74 1.70 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 2.34 2.05 0.00 109 P 0.00 4.54 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 110 P 0.00 4.27 0.00 2.24 2.10 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 111 P 0.00 4.49 0.00 2.48 2.26 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.