NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8092 8.2133 109.7429 45.2612 0.0000 171.6255 *2 I 4.2686 8.0070 119.5749 61.2980 39.0975 174.7935 3 R 4.5682 9.0485 128.3239 55.1742 31.0410 174.1835 4 H 5.4319 8.7353 127.6035 54.4963 31.4444 173.8604 5 T 5.0299 8.7140 114.9731 59.9450 72.7355 173.1781 6 V 5.1568 8.9186 122.1440 60.2026 35.0900 174.1963 7 V 4.9762 8.8640 124.6816 60.0309 33.8018 174.7515 8 F 5.6926 9.0033 118.3504 56.4099 42.1489 172.8753 9 T 4.8913 9.1373 114.8829 61.9029 72.2919 174.0964 10 L 4.6699 8.5467 125.1080 53.5061 43.1587 176.9841 11 K 4.1223 8.5847 119.9550 58.9349 32.3694 178.0131 12 H 4.5376 7.8633 116.3386 54.8028 29.9046 174.9594 13 A 4.2185 8.3323 124.5742 51.8039 18.9890 177.5867 14 S 4.5589 8.3435 116.6020 59.8853 63.3026 174.5843 15 H 4.2494 9.0529 120.2288 56.6423 26.9961 175.9821 16 S 4.4652 7.7336 115.1796 57.7170 64.9687 174.7000 17 L 3.9815 8.4911 124.2524 58.6417 41.7816 179.2335 18 E 3.9106 8.0838 117.9606 59.1557 29.1852 178.7661 19 E 4.0393 8.0956 118.9163 59.1904 29.6817 178.9082 20 K 4.0414 8.0943 118.4831 59.7314 32.1170 179.4643 21 R 3.9574 8.3226 118.4457 59.1336 29.9541 178.7873 22 F 4.1507 8.4052 120.3422 61.4636 39.5790 177.1902 23 L 4.2744 8.2478 118.4740 57.8561 41.4652 179.7842 24 V 3.5943 8.1431 118.3712 66.1847 31.4783 177.8734 25 D 4.2884 8.3704 118.5956 57.1166 40.6114 178.4581 26 A 3.0055 7.9042 121.3266 54.7232 18.3943 179.5694 27 K 3.1648 7.5665 117.4498 59.2912 32.0767 178.8214 28 K 3.7424 7.5097 118.3319 59.4761 32.5462 178.6018 29 I 3.7444 7.7228 120.2165 64.3795 37.2365 178.5054 30 L 3.9720 7.5909 120.4107 57.6234 41.2045 179.7411 31 S 3.8510 6.9061 112.4438 60.7558 62.9152 175.8910 32 A 4.0720 7.1302 122.0839 52.9873 18.8187 177.6759 33 I 3.7177 7.1103 119.5494 60.4941 37.7771 175.6807 34 R 4.0608 8.4899 125.4732 58.2231 30.2281 175.9897 35 G 4.1238 8.9879 113.2099 45.4171 0.0000 173.7298 36 V 3.3899 7.3809 119.7864 62.6221 31.7586 175.2572 37 T 4.4682 7.4780 117.0052 61.0252 71.5145 173.0998 38 H 3.9668 8.5205 117.9070 56.7251 26.3256 175.3641 39 F 4.2183 8.1437 120.3999 58.2614 40.1350 173.6022 40 E 4.6898 8.5740 127.3369 54.6214 33.2554 174.5656 41 Q 5.3026 8.7415 122.6708 54.6283 30.7433 175.0152 42 L 4.9965 9.3261 122.6025 53.1859 46.6136 175.3854 43 R 4.9222 8.6258 120.3194 54.9806 31.7121 175.5674 44 Q 4.4934 8.5985 126.3354 55.1310 29.4984 175.3525 45 I 4.3127 8.3852 118.2641 60.4421 39.2000 175.6114 46 S 4.2489 8.1708 117.6506 57.5745 62.5242 172.2640 47 P 4.3946 0.0000 0.0000 64.4782 31.8109 177.4017 48 K 3.9576 7.8615 120.4089 59.0722 32.1669 176.2743 49 I 4.3684 7.4812 116.7635 59.4349 40.1274 175.2363 50 D 4.6147 8.0194 126.9677 53.0663 39.6574 175.2663 51 Y 5.1888 7.0631 116.1369 55.4643 42.3214 175.6472 52 H 4.3630 8.5368 119.9059 57.3021 30.6458 174.8761 53 F 5.3058 8.1880 115.5470 55.5797 43.6906 174.2765 54 G 4.5567 9.3315 106.2905 44.8474 0.0000 171.5968 55 F 5.8533 9.3652 121.0178 55.6901 42.1622 174.6445 56 S 5.1751 8.3316 115.8750 55.4949 66.5516 172.4366 *58 E 4.3638 8.5501 122.0588 56.1954 30.9946 174.7341 59 F 5.1178 8.6439 121.1086 55.4208 41.5188 175.7021 60 A 4.1205 8.9997 125.4142 55.2787 18.8084 177.2871 61 D 5.1208 7.5807 114.9826 52.4869 43.1618 176.0369 62 Q 4.0695 8.6531 119.3486 59.1678 28.8449 177.6469 63 A 3.9488 8.1212 121.1541 55.3339 18.4321 179.2868 64 A 3.9654 8.5017 119.1553 55.4281 18.3549 179.2868 65 Y 2.7336 7.6725 117.6164 60.7069 38.7340 178.2727 66 T 3.5892 8.1048 117.0734 66.6604 68.3142 176.8889 67 R 3.8807 7.8842 118.9329 59.1800 30.3774 178.2520 68 Y 4.2393 7.9924 119.3341 60.7518 38.6507 177.4048 69 N 3.7896 7.9647 116.6155 56.6612 39.1108 175.7000 70 D 4.5617 7.9301 116.7439 53.7884 41.7463 176.3021 71 H 4.1897 7.5336 121.7552 55.1044 30.6618 174.0275 72 P 4.1931 0.0000 0.0000 66.4465 30.8073 178.3280 73 D 4.3981 8.2681 117.9133 57.3290 40.6540 178.1960 74 H 4.0886 8.0862 118.2271 59.1181 30.0013 177.1587 75 V 3.4566 7.9156 119.9980 66.0277 31.2929 177.8856 76 A 3.9658 8.3614 120.7354 55.0444 18.1873 179.2167 77 F 3.9326 8.2219 119.2252 61.4358 39.3790 177.5194 78 V 3.5735 8.0348 117.9410 65.9165 31.1171 177.8648 79 R 3.8375 7.7072 116.9168 59.6202 30.0963 177.6945 80 D 4.6011 8.2763 116.5641 55.1224 41.5521 177.0586 81 R 4.4859 7.2881 115.6692 57.5305 32.5100 177.3883 82 W 3.9569 7.8446 127.5643 60.4875 31.0730 178.0285 83 V 3.7235 8.3835 117.5972 65.6330 31.0497 175.8540 84 P 4.3784 0.0000 0.0000 64.6814 31.5006 176.9848 85 E 4.2046 7.9607 116.2467 56.2816 30.9685 175.8031 86 V 3.6853 7.1650 119.4045 61.8121 32.0477 175.2140 87 E 4.2398 9.0141 129.9387 58.8861 30.0139 176.5538 88 K 4.9395 7.8110 116.3644 56.3855 35.8694 173.9652 89 F 5.4236 8.2776 114.4942 56.4917 40.6641 172.9702 90 L 4.7238 8.8945 119.1626 53.0379 45.4242 175.4634 91 E 5.0721 8.9597 122.7449 55.1315 31.5631 175.6369 92 I 4.4058 8.7807 124.3774 59.7888 40.9291 173.8959 93 D 5.3186 8.4521 126.6905 52.5952 44.0623 175.0221 94 Y 5.1293 9.0357 119.2909 56.4190 42.1977 174.8866 95 V 4.8890 8.3855 113.9693 58.5821 35.6788 173.9069 96 P 4.2807 0.0000 0.0000 62.4413 31.7722 176.4970 97 L 4.1082 8.4047 124.2213 55.4672 42.7534 177.0381 98 G 3.7741 8.3804 112.6933 46.3649 0.0000 173.0640 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 0 G 8.21 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 *2 I 8.01 4.27 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.88 0.00 0.00 3 R 9.05 4.57 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 4 H 8.74 5.43 0.00 2.80 3.06 0.00 5.90 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.71 5.03 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 1.29 0.00 0.00 6 V 8.92 5.16 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 1.00 0.00 0.00 1.40 0.00 0.00 7 V 8.86 4.98 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 0.38 0.00 0.00 0.95 0.00 0.00 8 F 9.00 5.69 0.00 3.09 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 9 T 9.14 4.89 4.20 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 0.94 0.00 0.00 10 L 8.55 4.67 0.00 1.52 1.35 0.82 -0.25 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 11 K 8.58 4.12 0.00 1.39 1.77 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.41 7.81 12 H 7.86 4.54 0.00 3.17 3.21 0.00 5.70 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 13 A 8.33 4.22 1.29 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 0.00 0.00 14 S 8.34 4.56 0.00 3.82 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 15 H 9.05 4.25 0.00 3.38 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.73 4.47 0.00 4.25 4.07 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 0.00 0.00 0.00 0.00 17 L 8.49 3.98 0.00 1.79 1.73 0.94 0.92 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 18 E 8.08 3.91 0.00 1.82 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 2.28 2.36 0.00 19 E 8.10 4.04 0.00 2.16 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 0.00 2.35 2.47 0.00 20 K 8.09 4.04 0.00 2.13 1.90 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.59 7.81 21 R 8.32 3.96 0.00 1.91 2.05 0.00 3.17 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 22 F 8.41 4.15 0.00 3.43 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 23 L 8.25 4.27 0.00 1.97 1.82 0.56 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.14 3.59 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 1.03 0.00 0.00 1.00 0.00 0.00 25 D 8.37 4.29 0.00 2.83 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 26 A 7.90 3.01 1.05 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 0.00 0.00 27 K 7.57 3.16 0.00 2.08 1.88 0.00 1.92 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.44 7.81 28 K 7.51 3.74 0.00 1.97 1.85 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.36 7.81 29 I 7.72 3.74 1.56 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 0.81 0.00 0.00 30 L 7.59 3.97 0.00 0.86 1.55 0.71 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 31 S 6.91 3.85 0.00 3.82 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.13 4.07 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 33 I 7.11 3.72 2.14 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.07 0.97 0.00 0.00 34 R 8.49 4.06 0.00 1.79 1.90 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 35 G 8.99 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 0.00 0.00 0.00 36 V 7.38 3.39 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 0.67 0.00 0.00 1.07 0.00 0.00 37 T 7.48 4.47 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 1.19 0.00 0.00 38 H 8.52 3.97 0.00 3.22 3.33 0.00 5.70 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 F 8.14 4.22 0.00 2.85 2.85 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 40 E 8.57 4.69 0.00 1.73 1.72 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 2.19 2.38 0.00 41 Q 8.74 5.30 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 42 L 9.33 5.00 0.00 1.67 1.55 0.95 0.69 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 43 R 8.63 4.92 0.00 1.71 1.80 0.00 3.25 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 44 Q 8.60 4.49 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 45 I 8.39 4.31 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 1.29 0.83 0.94 0.00 0.00 46 S 8.17 4.25 0.00 3.88 3.99 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 47 P 0.00 4.39 0.00 2.20 2.14 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 48 K 7.86 3.96 0.00 1.73 1.90 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.40 7.81 49 I 7.48 4.37 1.96 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 1.05 0.00 0.00 50 D 8.02 4.61 0.00 2.48 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 0.00 0.00 0.00 0.00 51 Y 7.06 5.19 0.00 2.94 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 52 H 8.54 4.36 0.00 2.43 2.17 0.00 5.58 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.19 5.31 0.00 1.51 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 0.00 0.00 0.00 54 G 9.33 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.37 5.85 0.00 3.06 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 56 S 8.33 5.18 0.00 3.84 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 *58 E 8.55 4.36 0.00 1.87 1.78 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 0.00 2.21 2.24 0.00 59 F 8.64 5.12 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.00 4.12 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 61 D 7.58 5.12 0.00 2.95 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 62 Q 8.65 4.07 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 63 A 8.12 3.95 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 64 A 8.50 3.97 1.54 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 65 Y 7.67 2.73 0.00 2.54 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 66 T 8.10 3.59 4.27 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 1.11 0.00 0.00 67 R 7.88 3.88 0.00 1.92 2.02 0.00 3.28 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 68 Y 7.99 4.24 0.00 3.14 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 69 N 7.96 3.79 0.00 2.56 2.81 0.00 0.00 7.34 9.10 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 70 D 7.93 4.56 0.00 2.61 2.63 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 71 H 7.53 4.19 0.00 3.33 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.19 0.00 2.25 2.25 0.00 3.24 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 1.89 1.95 0.00 73 D 8.27 4.40 0.00 2.74 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 74 H 8.09 4.09 0.00 2.72 3.24 0.00 5.68 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 75 V 7.92 3.46 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 0.92 0.00 0.00 0.94 0.00 0.00 76 A 8.36 3.97 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 77 F 8.22 3.93 0.00 3.27 3.20 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 78 V 8.03 3.57 1.95 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 0.92 0.00 0.00 0.64 0.00 0.00 79 R 7.71 3.84 0.00 1.93 2.06 0.00 3.29 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 1.63 1.67 0.00 80 D 8.28 4.60 0.00 2.69 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 81 R 7.29 4.49 0.00 0.67 1.62 0.00 3.26 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.28 0.00 82 W 7.84 3.96 0.00 3.39 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 83 V 8.38 3.72 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 0.87 0.00 0.00 1.09 0.00 0.00 84 P 0.00 4.38 0.00 2.06 2.08 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 85 E 7.96 4.20 0.00 1.87 1.65 0.00 0.00 0.00 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 2.30 0.00 86 V 7.16 3.69 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 0.46 0.00 0.00 -0.88 0.00 0.00 87 E 9.01 4.24 0.00 1.91 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 2.27 2.27 0.00 88 K 7.81 4.94 0.00 2.00 1.90 0.00 1.33 0.00 0.00 1.78 0.00 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.41 1.58 7.81 89 F 8.28 5.42 0.00 3.54 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 90 L 8.89 4.72 0.00 1.24 1.45 0.90 1.01 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 91 E 8.96 5.07 0.00 1.98 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 2.49 2.78 0.00 92 I 8.78 4.41 1.73 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 1.17 1.01 0.49 0.00 0.00 93 D 8.45 5.32 0.00 2.57 2.55 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 94 Y 9.04 5.13 0.00 2.85 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 95 V 8.39 4.89 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 0.79 0.00 0.00 0.99 0.00 0.00 96 P 0.00 4.28 0.00 2.04 1.99 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 L 8.40 4.11 0.00 1.58 1.57 0.94 0.98 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 98 G 8.38 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.