NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2777 8.2649 123.5762 52.5818 20.5691 177.4763 3 Q 4.2805 7.8562 116.3889 55.3866 28.6812 174.1298 4 Q 3.3498 7.0166 117.8910 60.1572 28.3619 174.4160 5 S 3.8069 6.9966 113.3895 57.7474 61.9651 171.6613 6 P 4.0732 0.0000 0.0000 62.7716 32.2885 177.5700 7 Y 3.6175 7.7842 113.2004 57.9902 35.5860 169.2883 8 S 4.0675 7.7347 115.2745 58.3974 62.6517 174.6822 9 A 3.9683 9.1738 129.4252 55.4393 18.7272 178.7805 10 A 3.1221 7.1582 109.0089 54.1514 19.2920 176.9796 11 M 4.5733 8.6896 113.7574 53.8936 32.4698 176.4733 12 A 4.2643 7.8014 116.8774 53.5719 18.1450 179.4960 13 E 4.4526 7.9067 118.1523 58.6332 30.2169 178.1171 14 Q 4.2234 8.2625 119.6903 59.4221 29.2759 178.3792 15 R 4.2965 8.0875 118.5299 59.6126 30.0897 178.5168 16 H 4.3765 7.7750 118.1190 59.4543 29.7266 177.2864 17 E 4.0715 8.8925 120.2180 59.1433 29.4882 178.8793 18 E 4.1822 8.8234 119.4782 58.8356 29.4954 178.8025 19 W 4.4602 8.8312 128.8463 60.7787 30.8297 178.0931 20 L 3.5479 8.0583 118.6081 57.4504 40.9186 179.5064 21 R 3.8481 7.6983 118.6035 59.0383 29.8641 178.3986 22 F 3.9671 7.8256 120.0551 61.1849 39.7132 176.7696 23 V 2.9998 7.1360 117.9790 66.2220 31.1490 177.7802 24 D 4.1969 7.7620 118.1150 57.0555 40.5752 178.4374 25 L 3.7893 7.6041 120.8403 58.1533 42.0117 178.8303 26 L 3.6521 7.5038 120.3449 57.6421 41.8927 178.7657 27 K 3.9274 7.6001 119.2370 59.6433 32.1751 178.4612 28 N 4.2821 8.0018 116.2820 56.1632 38.3719 176.9982 29 A 3.9388 8.0152 122.1967 55.6208 18.5072 179.2258 30 Y 3.9893 8.1301 115.2074 61.5069 37.7313 179.1452 31 Q 4.1517 7.9135 117.1415 58.1239 28.7881 177.5507 32 N 4.7998 7.8712 114.9292 51.8335 39.1428 174.2948 33 D 4.5474 7.9684 118.6334 55.9554 39.3109 174.1595 34 L 4.7204 8.0468 115.4501 54.4252 43.0926 178.7483 35 H 3.9270 7.9648 118.2260 58.5082 28.3144 176.7838 36 L 3.8334 7.3306 122.8822 57.4701 41.9858 177.1714 37 P 4.2754 0.0000 0.0000 65.5768 31.1748 178.0215 38 L 3.9493 7.7622 120.0437 58.0612 41.9570 178.8721 39 L 4.1365 8.5462 118.7917 57.2474 41.3408 178.8414 40 N 4.5031 7.8587 115.8576 55.3111 38.6136 176.8014 41 L 4.1742 7.6171 121.3856 58.2164 42.4318 178.3667 42 M 4.2727 8.2830 117.4301 56.1326 32.2495 176.3571 43 L 4.9200 7.0390 117.3365 52.9055 44.9143 176.4962 44 T 4.4608 8.4917 111.5055 60.0644 71.7122 174.0515 45 P 4.2349 0.0000 0.0000 66.1337 31.3197 178.4666 46 D 4.3698 8.0351 116.0823 57.2101 41.2077 178.0239 47 E 4.0079 7.9385 118.2289 59.2387 29.2551 179.3196 48 R 3.9736 7.7084 117.0351 59.3830 30.4923 178.7135 49 E 4.1025 8.2095 117.9804 59.4107 29.5488 179.0681 50 A 4.0380 8.0979 120.7648 55.4481 18.3474 179.7417 51 L 4.1360 8.2364 117.4493 57.5806 41.4991 179.9519 52 G 3.6050 8.0974 105.8810 48.2871 0.0000 175.9982 53 T 3.9269 7.8893 118.0898 66.2346 68.4158 176.9086 54 R 4.0248 7.9617 120.0980 59.1075 29.9969 179.3918 55 V 3.6605 7.8605 112.4256 64.2913 31.4837 178.7856 56 R 3.9039 7.7533 117.8825 59.2925 29.9397 178.9594 57 I 3.6596 7.7046 119.4549 64.6280 37.0529 178.6546 58 V 3.5921 7.9593 118.9203 65.8200 31.3024 177.6988 59 E 3.9028 8.5198 119.3892 59.5227 29.6275 178.8016 60 E 4.0264 8.6170 118.9049 59.1930 29.2073 179.4119 61 L 4.0478 7.9051 118.7379 57.5673 41.7360 179.1348 62 L 4.1276 7.4929 118.3950 57.7722 41.4166 179.0969 63 R 4.0487 8.2869 118.8382 57.5202 29.7653 177.2172 64 G 4.6273 7.7785 105.0121 46.3839 0.0000 173.4097 65 E 4.3383 7.6250 119.6155 56.2226 30.2558 175.6169 66 M 4.8496 7.5231 114.4002 52.6808 34.4556 175.5919 67 S 4.3798 8.5464 115.5835 58.5189 65.3124 175.3347 68 Q 4.0636 8.4793 120.5772 58.7423 28.2982 178.7313 69 R 3.9013 7.9377 119.6135 59.1890 30.0270 178.3685 70 E 4.0127 8.0631 118.4966 59.2170 29.5231 178.6002 71 L 3.9052 7.7955 120.4359 58.3648 42.0683 179.0015 72 K 3.9449 8.2163 119.2577 59.5422 31.5814 178.5724 73 N 4.3489 7.7556 115.4330 55.9927 38.3191 176.8777 74 E 3.9356 8.1540 120.2521 59.3951 29.7004 178.0704 75 L 4.1346 8.2463 116.3714 55.0229 41.9633 177.2531 76 G 3.8088 7.4761 105.6977 46.5686 0.0000 173.4295 77 A 4.6318 7.8532 121.6264 49.8786 21.6108 177.4019 78 G 4.0411 8.0630 107.7265 44.4439 0.0000 175.1816 79 I 3.7147 8.2371 120.0783 63.5925 37.9466 178.1295 80 A 4.0274 8.0201 121.5142 55.5395 18.0543 179.5540 81 T 3.9279 7.8336 113.7501 66.5629 68.4575 177.1669 82 I 3.8028 7.5566 121.5989 64.5123 37.2178 178.2645 83 T 3.9353 7.9596 116.6688 66.6738 68.2618 176.8752 84 R 4.0335 8.1500 120.1704 59.0870 30.0259 179.3842 85 G 3.5741 7.8733 105.6290 47.7633 0.0000 175.5151 86 S 4.1026 8.4899 116.4119 61.3693 62.4362 176.1802 87 N 4.3922 8.5384 119.3648 56.2799 38.0135 177.6776 88 S 4.1322 7.9139 115.8809 61.5619 63.3315 176.1745 89 L 4.1178 8.3872 123.4085 58.0308 41.5464 179.1180 90 K 3.9784 7.7688 117.5402 59.2817 32.1046 178.5822 91 A 4.1970 7.6595 118.2115 52.6135 18.9701 177.7654 92 A 4.1530 6.9778 119.8984 51.1642 19.3566 176.4335 93 P 4.4494 0.0000 0.0000 62.1241 33.3840 177.9585 94 V 3.6223 8.4469 120.3534 66.4548 31.4333 178.1870 95 E 3.9814 8.2270 117.5186 59.4376 29.2571 178.9843 96 L 4.0509 7.8836 119.4748 58.3400 42.4294 178.6981 97 R 3.9994 8.1220 118.2064 59.6006 29.9158 179.0171 98 Q 4.3189 8.2629 115.4819 58.3975 28.9775 177.6587 99 W 4.3844 8.1174 130.3751 59.9301 30.8073 177.9432 100 L 3.5111 8.3940 119.3148 57.7279 40.9571 179.0266 101 E 4.1113 7.9134 115.5726 57.9439 29.3270 177.9855 102 E 4.3003 7.5050 118.0189 58.3050 30.6427 178.3126 103 V 3.5568 6.7123 111.3604 64.3580 31.5225 178.0920 104 L 4.4298 7.4382 114.6075 55.3099 42.4017 176.0304 105 L 4.4668 7.0317 125.8024 55.0248 44.6184 176.9191 *106 K 4.1215 8.9805 130.9331 55.7263 32.3453 175.5095 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 A 8.26 4.28 1.28 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 0.00 0.00 0.00 3 Q 7.86 4.28 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.23 2.44 0.00 4 Q 7.02 3.35 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.98 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 5 S 7.00 3.81 0.00 3.74 3.77 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 6 P 0.00 4.07 0.00 2.18 2.20 0.00 3.67 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 1.92 1.92 0.00 7 Y 7.78 3.62 0.00 3.14 3.06 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 8 S 7.73 4.07 0.00 4.01 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 9 A 9.17 3.97 1.33 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 10 A 7.16 3.12 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 11 M 8.69 4.57 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 12 A 7.80 4.26 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 13 E 7.91 4.45 0.00 2.10 2.30 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 2.38 2.44 0.00 14 Q 8.26 4.22 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 15 R 8.09 4.30 0.00 1.93 2.02 0.00 3.18 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 16 H 7.77 4.38 0.00 3.65 3.52 0.00 5.61 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 17 E 8.89 4.07 0.00 2.18 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 2.38 2.42 0.00 18 E 8.82 4.18 0.00 2.15 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 2.46 0.00 19 W 8.83 4.46 0.00 3.37 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 L 8.06 3.55 0.00 1.82 1.58 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.70 3.85 0.00 2.11 2.03 0.00 3.11 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 22 F 7.83 3.97 0.00 3.14 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 23 V 7.14 3.00 1.76 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 0.75 0.00 0.00 -0.08 0.00 0.00 24 D 7.76 4.20 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.79 0.00 1.77 1.59 0.87 0.60 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 26 L 7.50 3.65 0.00 0.89 1.33 0.65 0.86 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 27 K 7.60 3.93 0.00 1.92 1.92 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.45 7.81 28 N 8.00 4.28 0.00 3.04 2.81 0.00 0.00 6.96 7.18 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 29 A 8.02 3.94 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 30 Y 8.13 3.99 0.00 3.12 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 31 Q 7.91 4.15 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 32 N 7.87 4.80 0.00 2.68 2.81 0.00 0.00 7.06 7.42 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 33 D 7.97 4.55 0.00 2.87 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 34 L 8.05 4.72 0.00 1.59 1.54 0.90 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.96 3.93 0.00 2.57 2.50 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.33 3.83 0.00 1.58 1.62 0.95 0.91 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 37 P 0.00 4.28 0.00 2.27 2.26 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.97 0.00 38 L 7.76 3.95 0.00 1.85 1.80 0.94 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.55 4.14 0.00 1.76 1.76 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.86 4.50 0.00 2.87 2.88 0.00 0.00 6.93 7.94 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 41 L 7.62 4.17 0.00 1.65 1.94 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.28 4.27 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.96 0.00 43 L 7.04 4.92 0.00 1.71 1.57 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.49 4.46 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 1.25 0.00 0.00 45 P 0.00 4.23 0.00 2.18 2.17 0.00 3.60 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 2.12 2.16 0.00 46 D 8.04 4.37 0.00 2.79 2.66 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 0.00 0.00 0.00 47 E 7.94 4.01 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 2.32 2.34 0.00 48 R 7.71 3.97 0.00 2.02 2.03 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 49 E 8.21 4.10 0.00 2.04 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 0.00 2.34 2.34 0.00 50 A 8.10 4.04 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 51 L 8.24 4.14 0.00 2.04 1.78 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.10 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 53 T 7.89 3.93 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 1.22 0.00 0.00 54 R 7.96 4.02 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 55 V 7.86 3.66 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 0.87 0.00 0.00 1.04 0.00 0.00 56 R 7.75 3.90 0.00 1.96 1.98 0.00 3.30 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 57 I 7.70 3.66 2.01 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 1.41 0.71 0.92 0.00 0.00 58 V 7.96 3.59 2.18 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 1.02 0.00 0.00 1.01 0.00 0.00 59 E 8.52 3.90 0.00 2.05 2.17 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 2.28 2.47 0.00 60 E 8.62 4.03 0.00 2.03 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 2.49 2.49 0.00 61 L 7.91 4.05 0.00 1.80 1.73 0.93 0.85 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 62 L 7.49 4.13 0.00 1.73 1.71 0.91 0.88 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 63 R 8.29 4.05 0.00 2.08 2.09 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 64 G 7.78 4.63 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 0.00 0.00 0.00 65 E 7.63 4.34 0.00 1.76 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 2.26 2.23 0.00 66 M 7.52 4.85 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 67 S 8.55 4.38 0.00 4.07 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 68 Q 8.48 4.06 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 69 R 7.94 3.90 0.00 1.92 1.92 0.00 3.22 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 70 E 8.06 4.01 0.00 2.25 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 2.32 2.31 0.00 71 L 7.80 3.91 0.00 1.90 1.77 0.92 0.64 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 72 K 8.22 3.94 0.00 1.86 1.98 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.73 7.81 73 N 7.76 4.35 0.00 2.98 2.84 0.00 0.00 6.61 7.54 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 74 E 8.15 3.94 0.00 2.17 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 2.29 0.00 75 L 8.25 4.13 0.00 1.77 1.71 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.48 3.81 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 0.00 0.00 0.00 77 A 7.85 4.63 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 78 G 8.06 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 79 I 8.24 3.71 1.87 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 1.57 1.20 0.91 0.00 0.00 80 A 8.02 4.03 1.32 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 0.00 0.00 81 T 7.83 3.93 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 1.22 0.00 0.00 82 I 7.56 3.80 2.01 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 1.64 0.39 0.97 0.00 0.00 83 T 7.96 3.94 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 1.21 0.00 0.00 84 R 8.15 4.03 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 85 G 7.87 3.57 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 0.00 86 S 8.49 4.10 0.00 3.93 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 87 N 8.54 4.39 0.00 2.82 2.85 0.00 0.00 7.11 6.70 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 88 S 7.91 4.13 0.00 4.05 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 89 L 8.39 4.12 0.00 1.97 1.77 0.95 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.77 3.98 0.00 2.02 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.70 7.81 91 A 7.66 4.20 1.34 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 0.00 0.00 92 A 6.98 4.15 1.36 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 0.00 0.00 93 P 0.00 4.45 0.00 2.19 2.12 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 94 V 8.45 3.62 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 1.17 0.00 0.00 0.95 0.00 0.00 95 E 8.23 3.98 0.00 2.10 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 0.00 2.40 2.45 0.00 96 L 7.88 4.05 0.00 1.80 1.88 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.12 4.00 0.00 1.95 2.02 0.00 3.20 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 98 Q 8.26 4.32 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 99 W 8.12 4.38 0.00 3.42 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.39 3.51 0.00 1.95 1.65 1.02 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.91 4.11 0.00 1.95 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 2.33 2.60 0.00 102 E 7.51 4.30 0.00 1.85 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 2.24 2.56 0.00 103 V 6.71 3.56 1.69 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 -0.02 0.00 0.00 -0.16 0.00 0.00 104 L 7.44 4.43 0.00 1.67 1.59 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.03 4.47 0.00 1.57 0.53 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.98 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.