NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4371 8.1927 115.4119 57.6893 64.7130 174.2571 3 L 3.7811 8.3883 122.9224 56.6099 41.8172 174.3751 4 V 3.6337 8.5198 120.0243 64.7637 31.6716 177.6020 5 E 3.8980 7.9233 118.2458 59.1329 28.5203 179.1221 6 A 4.0130 8.0466 120.7172 55.5821 18.4141 179.8635 7 T 4.1181 7.9601 114.2286 66.7361 68.5062 176.9984 8 L 4.1417 8.1240 120.8068 57.4595 41.3569 179.2321 9 E 4.2065 7.7408 117.9657 58.4878 29.3584 178.8434 10 V 4.1517 6.9884 118.3785 64.4430 32.1401 176.5058 11 I 4.3860 7.5012 107.5649 60.1272 38.3248 175.4614 12 G 3.6764 8.1805 111.4814 45.2398 0.0000 173.1077 13 G 3.8530 8.6297 105.6601 44.7220 0.0000 173.2811 14 K 4.0907 7.9398 115.5305 56.6357 33.4890 177.0179 15 W 4.8237 7.7798 119.2273 58.6702 30.7551 178.3173 16 K 3.9787 8.2110 116.2098 57.4875 32.0081 178.6111 *18 V 3.9864 7.9095 119.4415 63.1767 33.3123 176.5754 19 I 3.9696 8.0853 120.3802 64.6779 37.1838 180.5698 20 L 4.0743 7.9882 120.4662 54.9522 40.5856 179.0996 *22 H 4.8078 8.2400 117.5079 55.8655 30.5653 174.9608 23 L 4.4456 7.8561 118.1600 56.7746 41.9195 178.1240 24 T 3.9130 7.9058 108.8945 64.4054 68.9639 174.7106 25 H 4.7606 7.9250 118.7285 52.6516 27.9236 174.5843 26 G 4.0393 8.1056 107.2490 44.7360 0.0000 172.0417 27 K 4.3861 8.4095 122.3801 57.1776 33.5445 176.3217 28 K 4.8626 9.1557 120.6553 54.6434 36.7205 176.4067 29 R 4.6261 8.5902 120.1090 56.1257 31.1523 177.4963 30 T 3.9911 8.8720 117.3179 67.2036 68.5046 177.0744 31 S 4.1911 8.1394 115.1624 61.3385 62.7583 176.1418 32 E 3.9162 8.0389 121.8654 59.4038 29.0664 178.9663 33 L 3.8882 7.8949 117.2918 57.8372 41.7689 179.1891 34 K 3.9900 7.8225 118.3676 59.4246 32.2175 178.4755 35 R 4.0619 7.7530 117.7917 59.1801 30.2427 178.9620 36 L 4.2275 7.8059 118.3701 54.3019 42.0789 176.3875 *38 P 4.3960 0.0000 0.0000 62.8012 33.1398 176.7741 39 N 4.7181 8.3026 113.8262 53.7587 38.8751 174.3222 40 I 4.0147 7.0928 118.1501 58.6322 40.5944 174.9232 41 T 4.1727 7.7498 115.5929 60.7912 69.9421 174.5718 42 Q 3.9751 8.4840 123.5895 59.1147 29.3719 178.5868 43 K 4.1847 7.4519 114.6022 57.4624 32.1987 178.2729 *45 L 3.9680 8.0321 123.0324 56.0060 43.7413 178.9267 46 T 3.7725 8.0719 115.5113 66.5250 68.2769 176.4569 47 Q 3.9207 8.3494 121.8616 59.3059 29.1041 178.3864 48 Q 3.9946 7.9005 118.5338 58.9428 28.7469 178.5568 49 L 3.8822 8.0235 120.1737 57.8309 41.5325 179.7992 50 R 3.9660 8.2590 118.2444 59.2691 29.9656 179.0453 51 E 3.9857 8.1861 118.3838 59.3878 29.4820 179.3601 52 L 4.0435 8.0797 119.0978 57.6131 41.5939 179.2263 53 E 4.2026 8.8049 120.5995 58.8614 29.4492 178.5769 54 A 4.0789 7.9810 119.5194 55.2398 18.4788 178.4361 55 D 4.7164 8.0586 114.3072 53.9552 41.0512 177.2549 56 G 4.0052 8.1540 107.7710 46.2992 0.0000 175.1170 57 V 4.0982 7.9605 122.3309 64.4575 32.4998 175.7928 58 I 5.2622 7.7356 112.1892 59.2286 41.5850 173.8856 59 N 5.1462 9.5734 120.9327 51.6287 41.5261 173.7542 60 R 4.6872 8.5235 122.0167 54.6424 32.2986 174.8401 61 I 4.2277 8.4911 128.2138 59.6379 39.3495 174.8117 62 V 4.3417 8.1903 127.9029 61.5820 32.6547 174.8407 63 Y 4.3347 8.8978 127.4575 55.7378 38.1113 177.0519 64 N 4.7427 8.2203 127.6325 53.1422 37.8077 176.5244 65 Q 3.9742 7.8549 119.8976 58.5848 29.9445 176.8502 *69 K 4.1227 7.6543 117.9639 56.2596 34.0293 174.0630 70 V 4.8911 8.1484 125.3988 61.4397 34.8773 173.6167 71 E 5.2246 9.1848 127.1006 54.8806 32.7126 174.4735 72 Y 5.1661 9.2572 119.7540 56.3503 41.6271 174.4684 73 E 4.9838 9.0963 122.8289 54.1061 33.8601 174.0711 74 L 4.4551 8.6256 128.5332 55.1549 42.9464 176.8519 75 S 4.4881 8.7456 121.3158 57.8609 64.4253 175.2829 76 E 3.9814 8.9303 119.5552 59.8686 29.4467 178.6814 77 Y 4.4780 8.1752 119.1184 60.7303 38.8885 178.1615 78 G 3.5374 8.3910 106.8154 47.6654 0.0000 175.7902 79 R 3.9706 7.7989 119.8422 58.7685 29.8068 178.5668 80 S 4.2887 7.6441 112.5848 59.9374 63.1828 175.2635 81 L 4.3100 7.7323 122.4016 55.4563 41.7154 178.0315 82 E 4.0161 8.0948 119.9431 59.2257 29.1174 179.3527 83 G 3.6040 7.9267 104.3636 48.0006 0.0000 175.3094 84 I 3.8606 7.6094 120.9156 63.8183 37.2312 177.9243 85 L 4.1861 7.9274 119.0911 57.8190 41.5546 180.4993 86 D 4.6039 8.0081 117.0014 54.2551 41.0173 176.9152 *88 L 4.1268 7.8387 116.7918 54.7406 43.5091 178.7439 *90 A 4.2840 7.9443 123.7850 52.0507 20.6329 179.8126 91 W 4.0402 8.2584 124.8694 60.4783 30.8170 178.4033 92 G 3.7389 8.6354 105.6465 47.4196 0.0000 175.6723 93 A 3.9604 7.8435 121.8927 55.1784 18.7736 178.7716 94 N 4.2345 7.7731 115.2011 56.9152 38.9420 176.5237 95 H 3.7416 7.7780 119.6582 59.1851 29.6412 177.3188 96 I 3.6819 7.5430 120.6148 64.2282 36.9633 177.6237 97 N 4.4794 7.5680 115.4892 54.7837 38.5934 175.1656 98 R 3.9991 7.4339 125.1157 56.3560 30.1584 175.6789 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 8.19 4.44 0.00 4.01 4.05 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 3 L 8.39 3.78 0.00 1.85 1.70 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.52 3.63 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 0.75 0.00 0.00 0.90 0.00 0.00 5 E 7.92 3.90 0.00 2.24 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 2.32 2.32 0.00 6 A 8.05 4.01 1.38 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 0.00 0.00 0.00 7 T 7.96 4.12 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 1.20 0.00 0.00 8 L 8.12 4.14 0.00 1.81 1.70 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.74 4.21 0.00 2.04 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 2.60 2.46 0.00 10 V 6.99 4.15 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 0.90 0.00 0.00 1.02 0.00 0.00 11 I 7.50 4.39 1.85 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 1.42 0.83 0.89 0.00 0.00 12 G 8.18 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 13 G 8.63 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 0.00 0.00 0.00 14 K 7.94 4.09 0.00 1.24 1.58 0.00 0.86 0.00 0.00 1.39 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.87 0.21 7.81 15 W 7.78 4.82 0.00 3.40 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 16 K 8.21 3.98 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.53 7.81 *18 V 7.91 3.99 2.45 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 0.94 0.00 0.00 1.01 0.00 0.00 19 I 8.09 3.97 2.08 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 1.31 0.75 0.89 0.00 0.00 20 L 7.99 4.07 0.00 1.70 1.67 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *22 H 8.24 4.81 0.00 3.39 3.42 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.86 4.45 0.00 1.82 1.77 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.91 3.91 4.09 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 1.27 0.00 0.00 25 H 7.92 4.76 0.00 3.19 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.11 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.41 4.39 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.31 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.53 7.81 28 K 9.16 4.86 0.00 1.73 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.54 7.81 29 R 8.59 4.63 0.00 1.92 2.04 0.00 3.02 0.00 0.00 3.45 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 30 T 8.87 3.99 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 1.26 0.00 0.00 31 S 8.14 4.19 0.00 4.04 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 0.00 32 E 8.04 3.92 0.00 2.32 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 2.33 2.50 0.00 33 L 7.89 3.89 0.00 1.72 1.68 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.82 3.99 0.00 1.80 1.96 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.44 7.81 35 R 7.75 4.06 0.00 2.00 2.06 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 36 L 7.81 4.23 0.00 1.57 1.43 0.79 1.10 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 *38 P 0.00 4.40 0.00 2.22 2.24 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 39 N 8.30 4.72 0.00 3.11 3.24 0.00 0.00 6.63 7.45 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 40 I 7.09 4.01 0.56 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.50 0.00 0.00 41 T 7.75 4.17 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 1.15 0.00 0.00 42 Q 8.48 3.98 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.21 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 43 K 7.45 4.18 0.00 2.06 1.97 0.00 1.37 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *45 L 8.03 3.97 0.00 1.58 1.81 0.74 0.76 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 46 T 8.07 3.77 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 1.21 0.00 0.00 47 Q 8.35 3.92 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 48 Q 7.90 3.99 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 49 L 8.02 3.88 0.00 1.63 1.32 0.32 0.61 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 50 R 8.26 3.97 0.00 2.01 2.00 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 51 E 8.19 3.99 0.00 2.22 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 0.00 2.34 2.47 0.00 52 L 8.08 4.04 0.00 1.86 1.75 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.80 4.20 0.00 2.22 2.16 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 2.36 2.26 0.00 54 A 7.98 4.08 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.72 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 56 G 8.15 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 57 V 7.96 4.10 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 0.92 0.00 0.00 0.96 0.00 0.00 58 I 7.74 5.26 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.96 0.00 0.00 59 N 9.57 5.15 0.00 2.63 2.74 0.00 0.00 6.74 6.52 0.00 0.00 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 R 8.52 4.69 0.00 1.90 1.78 0.00 3.32 0.00 0.00 3.63 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.00 61 I 8.49 4.23 1.85 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 1.02 0.48 0.55 0.00 0.00 62 V 8.19 4.34 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 0.80 0.00 0.00 0.87 0.00 0.00 63 Y 8.90 4.33 0.00 2.90 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 64 N 8.22 4.74 0.00 2.70 2.82 0.00 0.00 7.21 7.69 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 65 Q 7.85 3.97 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.50 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 *69 K 7.65 4.12 0.00 1.79 1.65 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.32 7.81 70 V 8.15 4.89 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 0.61 0.00 0.00 0.94 0.00 0.00 71 E 9.18 5.22 0.00 2.03 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 2.22 2.32 0.00 72 Y 9.26 5.17 0.00 2.96 2.87 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 0.00 0.00 0.00 73 E 9.10 4.98 0.00 2.05 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 2.23 2.28 0.00 74 L 8.63 4.46 0.00 1.70 1.59 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.75 4.49 0.00 4.06 4.15 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 76 E 8.93 3.98 0.00 2.02 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 0.00 2.34 2.40 0.00 77 Y 8.18 4.48 0.00 3.02 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 78 G 8.39 3.54 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 0.00 0.00 0.00 79 R 7.80 3.97 0.00 2.03 1.98 0.00 3.29 0.00 0.00 3.30 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 80 S 7.64 4.29 0.00 3.97 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 81 L 7.73 4.31 0.00 1.78 1.66 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.09 4.02 0.00 2.00 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 2.30 2.44 0.00 83 G 7.93 3.60 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 0.00 0.00 0.00 84 I 7.61 3.86 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.55 0.87 0.00 0.00 85 L 7.93 4.19 0.00 1.79 1.73 0.89 1.35 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 86 D 8.01 4.60 0.00 2.80 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 L 7.84 4.13 0.00 1.92 1.73 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *90 A 7.94 4.28 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.26 4.04 0.00 3.43 3.37 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 92 G 8.64 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 93 A 7.84 3.96 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 94 N 7.77 4.23 0.00 2.66 2.56 0.00 0.00 6.92 8.95 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 95 H 7.78 3.74 0.00 2.47 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.54 3.68 1.99 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 1.51 0.80 0.88 0.00 0.00 97 N 7.57 4.48 0.00 2.73 2.79 0.00 0.00 6.97 8.93 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 98 R 7.43 4.00 0.00 1.75 1.70 0.00 3.16 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 * Residues marked with a * may have inaccurate shift predictions.