NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4522 8.3344 115.4184 58.7201 63.4581 172.3167 3 H 4.7774 7.6726 126.6977 57.1906 32.5900 171.6678 *5 H 4.7046 9.4725 114.1660 56.3717 31.3207 175.5092 6 R 4.1421 7.7561 117.7867 58.8396 29.8145 179.3091 7 V 3.5823 7.5605 119.5801 64.5793 31.1264 178.3611 8 I 2.8620 6.6964 112.8663 62.6367 37.2584 176.8228 9 N 4.6378 7.3927 116.2286 52.4597 39.4709 174.5165 10 H 4.3519 8.0473 122.5697 54.9143 30.6912 174.1602 11 P 4.0311 0.0000 0.0000 65.8732 31.3949 176.7568 12 Y 4.2347 8.3760 113.2002 58.2258 38.2927 173.9417 13 Y 4.9592 7.7479 122.3325 56.3502 39.8751 174.6444 14 F 3.9640 7.5449 124.8496 54.6353 42.7720 173.6700 15 P 4.2730 0.0000 0.0000 62.7788 30.8332 175.6932 16 F 5.2314 7.2446 116.0656 57.2024 41.7258 175.7047 17 N 5.0024 8.7135 120.8589 51.1450 40.5431 176.0757 18 G 3.6778 8.4669 106.0580 48.0296 0.0000 175.3139 19 K 3.7889 8.0600 121.9464 59.4131 32.1450 178.6786 20 Q 3.7395 8.8276 118.2740 58.5270 28.5023 178.5899 21 A 3.8742 7.8869 121.9737 55.0570 18.4933 179.5090 22 E 2.7568 7.9343 117.0477 59.2745 29.1956 179.2752 23 D 4.2459 7.5241 117.4585 57.5393 40.9280 177.9237 24 Y 4.0170 7.5777 118.8669 60.4663 39.0920 177.5966 25 L 4.1505 7.8127 118.2397 55.7333 41.7666 178.9508 26 R 4.1139 7.4370 118.1663 59.2657 30.0882 177.8786 27 S 4.3396 7.7738 108.9490 58.8988 63.6862 174.1722 28 K 4.2766 7.4727 121.1497 55.5632 33.0699 176.1278 29 E 4.3807 8.3170 118.9464 55.4533 30.3653 176.8330 30 R 4.3565 8.4003 120.1227 58.3993 30.5353 176.8840 31 G 4.3260 9.9103 111.7769 45.3900 0.0000 173.6074 32 D 4.9027 8.1993 119.6411 54.8763 42.4819 175.0951 33 F 5.6516 8.2536 117.4981 56.4836 41.3869 173.0716 34 V 5.0919 9.1620 110.8748 60.2434 36.4554 174.4121 35 I 5.2539 9.1377 123.9099 60.0981 39.8332 175.0645 36 R 4.9614 8.9979 121.2981 54.8692 33.4271 174.1210 37 Q 4.7105 8.6753 118.4182 56.3493 29.8646 176.0039 38 S 4.7399 8.3268 114.3759 56.8679 65.7626 174.6260 39 S 4.4839 8.9068 119.8184 59.4740 62.8131 175.3017 40 R 3.9028 7.9320 121.0508 57.1752 29.9815 176.7282 41 G 4.2963 7.0272 107.0953 44.4934 0.0000 173.0951 42 D 4.4442 8.3661 119.4570 56.5850 41.0695 177.1033 43 D 5.0447 8.0241 118.1951 53.5152 40.4893 175.6266 44 H 5.4845 8.0704 114.8415 55.1734 32.2623 172.9473 45 L 5.1233 9.0869 120.1730 53.4252 46.8655 174.8434 46 A 5.1940 9.2073 120.2526 50.6969 23.0745 175.1205 47 I 4.8728 9.0187 121.5546 59.8581 39.9725 174.8200 48 T 5.1992 8.9492 123.9013 61.5141 71.0777 173.3666 49 W 5.8489 9.0825 122.8796 54.6153 32.5782 174.1640 50 K 4.6148 9.2062 123.2112 55.7354 32.0667 177.0470 51 L 3.8599 8.2311 130.5793 57.4022 42.6846 175.4961 52 D 4.4467 7.0182 115.7500 52.9048 44.6448 173.7773 53 K 3.9914 8.4915 121.3029 58.3883 32.1962 175.7785 54 D 4.1625 8.5291 125.5018 54.8586 39.8833 172.9155 55 L 4.3644 6.9058 118.4080 53.0346 44.8173 174.8930 56 F 5.2278 8.5512 123.9371 55.6323 42.8081 174.6555 57 Q 4.5653 8.5539 119.1653 54.3428 32.3121 174.4562 58 H 5.2853 8.8239 118.9568 54.1744 31.7028 172.9988 59 V 4.5093 9.1791 124.3677 60.9725 33.9280 174.3100 60 D 5.0880 8.7636 127.0602 54.1333 42.3861 175.2383 61 I 4.9203 8.7655 124.6608 59.6036 41.2861 174.1908 62 Q 4.8424 8.9566 126.8654 54.3051 32.7204 173.2479 63 E 5.2819 9.1190 127.1045 54.3960 31.3232 175.3468 *65 E 4.1804 8.8885 125.8692 53.2133 31.9035 175.8566 66 K 3.7809 7.6608 117.3679 55.8547 28.3459 177.8777 67 E 5.5928 7.6232 127.3089 57.4460 29.3628 176.1231 *73 G 3.7539 7.2713 109.5044 45.4040 0.0000 171.1472 74 K 4.8926 8.2510 119.2527 54.4881 36.8583 175.4002 75 V 4.6933 8.2196 119.1077 60.0922 35.1410 174.2424 76 L 5.1629 9.1527 121.7352 53.1141 44.3569 175.5824 77 V 5.0462 9.0077 123.5807 61.1659 34.2403 174.4584 78 V 4.6903 8.8030 127.1691 61.7843 34.9340 175.0843 79 E 3.9338 10.2168 127.1710 57.4840 27.0762 176.0237 80 G 4.0241 8.5372 106.2796 45.5109 0.0000 174.1899 81 Q 4.4236 8.0076 119.3857 54.8433 30.7075 174.9186 82 R 4.8565 8.1266 121.5940 55.1859 31.7702 175.3817 83 Y 4.6740 9.3786 121.6220 56.6792 41.0583 176.4753 84 H 4.6880 9.2010 119.7104 57.1070 29.9602 175.3444 85 D 4.8364 8.0282 117.7268 51.0912 44.5335 175.3738 86 L 3.9308 8.7556 126.7125 58.6168 41.9522 178.9718 87 D 4.4747 8.5925 118.6912 57.6843 40.7100 178.9917 88 Q 4.0377 8.0546 118.0349 58.9177 28.6938 178.8608 89 I 3.2647 7.4634 120.9106 64.1591 37.0755 178.4485 90 I 3.6551 7.5941 120.1913 64.3034 36.8891 178.3669 91 V 3.5706 7.9169 119.0493 66.0269 31.4321 177.7036 92 E 3.7833 8.1054 118.1670 59.8706 29.3824 179.0179 93 Y 3.3484 7.7960 115.4951 59.7722 37.7442 177.9507 94 L 4.2864 7.8130 120.5811 57.5857 41.9077 179.1727 95 Q 3.9658 8.1984 118.4124 58.8376 28.3648 178.3086 96 N 4.0751 7.4164 117.0462 56.2749 39.2077 176.6001 97 K 4.1152 7.8313 121.0345 59.6585 32.1496 178.6887 98 I 3.7406 7.8623 119.1387 64.6215 37.1650 178.1686 99 R 4.1292 7.6875 115.9010 57.6373 30.0529 177.2433 100 L 4.3933 7.7197 123.8728 54.8765 41.9608 176.1638 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 S 8.33 4.45 0.00 3.99 4.02 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 0.00 0.00 0.00 3 H 7.67 4.78 0.00 3.18 3.10 0.00 5.74 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 *5 H 9.47 4.70 0.00 3.05 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.76 4.14 0.00 1.84 1.96 0.00 3.14 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 7 V 7.56 3.58 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 0.58 0.00 0.00 0.85 0.00 0.00 8 I 6.70 2.86 1.70 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 1.39 0.48 0.54 0.00 0.00 9 N 7.39 4.64 0.00 2.74 2.84 0.00 0.00 6.93 8.78 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 10 H 8.05 4.35 0.00 3.13 3.28 0.00 5.61 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 11 P 0.00 4.03 0.00 2.06 2.00 0.00 3.26 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.03 0.00 12 Y 8.38 4.23 0.00 3.20 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 13 Y 7.75 4.96 0.00 2.89 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 14 F 7.54 3.96 0.00 2.14 1.45 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 0.00 15 P 0.00 4.27 0.00 2.11 2.02 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 16 F 7.24 5.23 0.00 2.98 2.76 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 17 N 8.71 5.00 0.00 3.01 2.99 0.00 0.00 7.25 6.71 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 18 G 8.47 3.68 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 0.00 0.00 0.00 19 K 8.06 3.79 0.00 1.78 1.96 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 20 Q 8.83 3.74 0.00 2.06 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 21 A 7.89 3.87 1.45 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 0.00 0.00 0.00 22 E 7.93 2.76 0.00 1.74 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 1.62 2.37 0.00 23 D 7.52 4.25 0.00 2.59 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 0.00 0.00 0.00 0.00 24 Y 7.58 4.02 0.00 2.42 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 25 L 7.81 4.15 0.00 1.93 1.89 1.16 1.13 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 26 R 7.44 4.11 0.00 1.93 2.05 0.00 3.15 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 27 S 7.77 4.34 0.00 3.91 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 28 K 7.47 4.28 0.00 1.92 1.93 0.00 1.74 0.00 0.00 1.53 0.00 0.00 2.23 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.24 7.81 29 E 8.32 4.38 0.00 2.09 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 2.40 2.34 0.00 30 R 8.40 4.36 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 31 G 9.91 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 0.00 0.00 0.00 0.00 32 D 8.20 4.90 0.00 3.07 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 33 F 8.25 5.65 0.00 3.36 3.29 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 34 V 9.16 5.09 2.33 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 0.57 0.00 0.00 1.08 0.00 0.00 35 I 9.14 5.25 2.14 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 1.70 1.08 1.10 0.00 0.00 36 R 9.00 4.96 0.00 1.98 1.98 0.00 2.97 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 37 Q 8.68 4.71 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.41 0.00 38 S 8.33 4.74 0.00 3.90 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 39 S 8.91 4.48 0.00 4.02 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 40 R 7.93 3.90 0.00 1.69 1.58 0.00 3.39 0.00 0.00 3.20 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 41 G 7.03 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 0.00 0.00 0.00 0.00 42 D 8.37 4.44 0.00 2.70 2.76 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 43 D 8.02 5.04 0.00 2.86 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 44 H 8.07 5.48 0.00 3.16 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 9.09 5.12 0.00 1.54 1.68 0.92 0.62 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 A 9.21 5.19 1.25 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 0.00 0.00 47 I 9.02 4.87 1.65 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 0.97 0.76 0.56 0.00 0.00 48 T 8.95 5.20 4.35 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 1.12 0.00 0.00 49 W 9.08 5.85 0.00 3.79 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 50 K 9.21 4.61 0.00 2.22 1.97 0.00 1.96 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.26 7.81 51 L 8.23 3.86 0.00 0.84 1.41 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.02 4.45 0.00 2.55 2.41 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 53 K 8.49 3.99 0.00 1.65 1.66 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.40 7.81 54 D 8.53 4.16 0.00 2.73 2.58 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 55 L 6.91 4.36 0.00 1.53 1.27 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.55 5.23 0.00 3.00 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 57 Q 8.55 4.57 0.00 0.93 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.74 0.00 0.00 0.00 0.00 0.00 1.27 1.58 0.00 58 H 8.82 5.29 0.00 3.02 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.18 4.51 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 0.90 0.00 0.00 1.24 0.00 0.00 60 D 8.76 5.09 0.00 2.76 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 0.00 0.00 0.00 0.00 61 I 8.77 4.92 1.88 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 1.05 0.64 0.90 0.00 0.00 62 Q 8.96 4.84 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.80 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 63 E 9.12 5.28 0.00 2.00 1.73 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 2.18 2.04 0.00 *65 E 8.89 4.18 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 2.18 2.40 0.00 66 K 7.66 3.78 0.00 1.96 1.93 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.34 7.81 67 E 7.62 5.59 0.00 2.03 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 0.00 2.05 2.03 0.00 *73 G 7.27 3.75 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 74 K 8.25 4.89 0.00 1.54 1.66 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.36 7.81 75 V 8.22 4.69 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 0.78 0.00 0.00 0.89 0.00 0.00 76 L 9.15 5.16 0.00 1.66 1.64 0.92 0.88 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 77 V 9.01 5.05 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 1.02 0.00 0.00 0.94 0.00 0.00 78 V 8.80 4.69 2.25 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 1.08 0.00 0.00 0.88 0.00 0.00 79 E 10.22 3.93 0.00 2.23 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 2.37 2.35 0.00 80 G 8.54 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.01 4.42 0.00 2.17 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 82 R 8.13 4.86 0.00 1.52 1.71 0.00 3.11 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 83 Y 9.38 4.67 0.00 2.88 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 84 H 9.20 4.69 0.00 3.21 3.36 0.00 5.60 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.03 4.84 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 3.93 0.00 1.79 1.68 0.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.59 4.47 0.00 2.96 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 88 Q 8.05 4.04 0.00 2.37 2.35 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 2.47 2.49 0.00 89 I 7.46 3.26 1.83 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.10 0.63 0.00 0.00 90 I 7.59 3.66 2.02 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 1.68 0.81 0.77 0.00 0.00 91 V 7.92 3.57 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 1.10 0.00 0.00 0.97 0.00 0.00 92 E 8.11 3.78 0.00 2.10 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 2.55 2.41 0.00 93 Y 7.80 3.35 0.00 1.93 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 0.00 0.00 0.00 94 L 7.81 4.29 0.00 1.95 1.76 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.20 3.97 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 96 N 7.42 4.08 0.00 2.10 2.48 0.00 0.00 7.20 6.50 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 97 K 7.83 4.12 0.00 2.26 2.07 0.00 2.05 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.80 7.81 98 I 7.86 3.74 2.02 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 1.54 0.85 0.91 0.00 0.00 99 R 7.69 4.13 0.00 1.77 1.96 0.00 3.09 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 100 L 7.72 4.39 0.00 1.88 1.65 1.14 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.