NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 G 4.0174 8.2127 109.7461 45.3321 0.0000 174.5874 21 I 3.6276 7.8977 121.2475 62.3293 37.7633 177.3769 22 F 4.1852 7.9828 118.6116 60.5355 39.2144 176.6553 23 F 4.1523 7.9726 119.5382 60.9685 39.2538 175.3801 24 P 3.9899 0.0000 0.0000 65.4755 30.8725 178.3033 25 A 3.9501 7.6925 118.6952 54.9126 18.5817 179.0888 26 L 4.2507 7.4998 116.8959 56.9480 41.9287 178.8460 27 E 3.9962 8.1516 119.1049 59.2934 29.5262 177.4547 28 Q 4.4009 8.0416 115.0450 55.5526 28.8080 175.4999 29 N 4.5161 7.6048 117.3432 53.4831 39.4354 175.2144 30 M 4.1836 8.4639 120.9518 57.8983 31.8651 176.4941 31 M 4.4501 8.3567 119.5033 54.1582 33.3703 176.8566 32 G 3.7817 8.9992 110.3557 46.3121 0.0000 172.2848 33 A 5.3210 9.2302 124.7115 49.8708 22.4317 175.0943 34 V 4.8708 8.9776 122.4548 61.0572 34.7941 173.8577 35 L 5.5103 9.2044 130.4059 53.2524 44.6817 174.9376 36 I 5.2180 8.8840 119.5938 59.2865 41.0318 175.7212 37 N 4.9904 8.8202 122.1406 51.5621 39.4356 175.2263 38 E 3.9013 8.2126 114.9659 59.3131 28.1923 177.2540 39 N 4.7124 8.6069 115.9434 52.5324 38.8291 174.9225 40 D 4.6958 8.0800 116.7667 55.3584 39.1807 172.9884 41 E 4.7975 7.6411 118.0114 54.8964 31.0998 175.7187 42 V 4.3327 8.6577 124.1140 63.2604 32.0065 176.0023 43 M 4.8467 9.3594 125.3386 55.3838 32.9660 175.8410 44 F 5.0430 8.0443 121.9432 57.1476 43.3635 172.9744 45 F 4.8961 7.8879 128.7224 57.1285 40.9571 173.3676 46 N 4.3418 7.7928 124.1702 50.9440 38.5976 174.6310 47 P 4.5011 0.0000 0.0000 65.0939 31.1781 178.7843 48 A 3.9550 7.8488 118.8018 55.0030 18.2391 179.4049 49 A 3.9711 7.6983 118.9013 55.0903 18.2105 179.4293 50 E 4.6553 7.7112 118.5375 59.0600 29.3392 179.5635 51 K 3.9956 7.8881 118.4623 59.3566 32.3312 178.6519 52 L 4.0383 7.6926 118.2096 57.7041 41.8543 179.1412 53 W 4.4753 8.8725 118.6830 57.1103 28.9799 178.2697 54 G 3.9296 8.6878 106.0776 45.6342 0.0000 172.3777 55 Y 5.0477 7.9594 116.1188 55.7636 40.8506 175.2534 56 K 4.8101 9.3018 123.1835 55.3233 33.5661 178.4032 57 R 4.0535 9.5660 119.7450 59.7348 28.8335 179.0898 58 E 4.0089 8.2222 117.8276 58.7741 29.5515 177.9476 59 E 4.2632 8.2269 116.8037 56.5920 30.0899 176.6367 60 V 3.7096 6.9144 117.5433 63.8812 33.4168 175.6752 61 I 3.8357 7.4746 119.8994 63.2271 37.1628 176.4576 62 G 3.9087 9.3116 114.4078 45.2885 0.0000 173.0785 63 N 4.7145 7.8049 117.4580 51.4497 40.5471 174.0741 64 N 4.8848 8.1346 116.4422 52.9264 39.3887 176.5525 65 I 3.6026 8.3965 121.5067 64.2958 38.0015 177.8499 66 D 4.3942 8.2434 119.6632 57.7859 40.3765 178.6029 67 M 4.1376 7.7877 115.8230 57.3941 31.2643 177.0248 68 L 4.4570 7.7556 118.5364 54.8983 42.5564 176.5406 69 I 4.2331 7.2188 120.1769 59.3539 38.1264 174.0834 70 P 4.4702 0.0000 0.0000 62.8962 31.9536 177.3239 71 R 3.9173 9.3703 122.1834 59.6405 30.0908 178.3878 72 D 4.6161 8.0488 113.7417 54.4949 39.8057 176.3276 73 L 4.6442 8.0046 119.7005 54.7286 43.1302 178.4559 74 R 3.8976 7.5929 118.1382 58.8464 29.9335 176.7578 75 P 4.3058 0.0000 0.0000 64.6137 31.6622 177.4889 76 A 4.1619 7.6404 118.2247 53.3015 20.0259 178.2992 77 H 3.9006 8.1546 117.3096 58.8326 29.8677 175.4128 78 P 4.2085 0.0000 0.0000 65.9359 31.1379 178.4025 79 E 3.8681 7.5659 116.2794 59.1029 29.0798 179.0169 80 Y 4.3695 7.3923 116.9463 61.1581 37.8385 178.7094 81 I 3.5833 7.5849 120.0270 64.2774 37.3932 177.9435 82 R 3.8888 7.9507 119.5373 60.2122 29.6234 178.1754 83 H 4.3341 8.0920 114.1677 58.8766 28.7015 177.0723 84 N 4.5541 7.7411 118.3174 56.4849 38.8659 176.9944 85 R 4.3773 8.2876 119.2844 57.8513 30.3457 176.7852 86 E 4.3140 7.7159 118.2767 57.6289 29.8477 175.7028 87 G 4.0002 8.9636 111.5165 45.1927 0.0000 173.0770 88 G 3.8568 7.8382 111.4137 44.6216 0.0000 173.3499 *93 E 4.2315 8.3141 115.4494 56.6479 31.6382 171.2960 94 G 4.5836 8.4305 105.3409 44.8406 0.0000 172.5656 95 M 4.8432 8.0494 117.5913 54.1626 34.3682 173.1361 96 S 5.9324 8.8019 115.3297 55.8310 65.1254 172.9265 97 R 4.6951 8.3807 121.3315 55.3998 32.7181 173.2777 98 E 5.0627 8.7621 119.4241 56.0463 30.5579 176.2862 99 L 4.9491 9.2149 123.0450 52.9415 46.4018 175.3776 100 Q 3.6267 7.9786 123.0905 54.6256 29.6192 174.4542 101 L 4.3266 8.3880 129.8605 53.7746 44.0005 174.5485 102 E 4.8699 8.4816 126.6927 54.4054 31.2460 175.8741 103 K 4.4927 8.9578 127.2642 55.1934 33.3332 177.8498 104 K 3.5463 8.4509 122.0428 59.6582 31.7519 177.2332 105 D 4.4887 7.8247 114.7224 53.6177 39.6585 176.7564 106 G 3.9935 8.1170 109.7806 45.4377 0.0000 174.5632 107 S 4.3315 8.5678 114.8700 58.1212 63.7278 173.0998 108 K 5.1839 8.2521 120.5150 54.6585 35.1791 175.5454 109 I 4.6915 8.3030 115.8710 58.9544 41.4777 174.2031 110 W 4.8262 8.7330 123.9178 56.5993 30.8011 175.4086 111 T 5.3666 9.1454 113.0950 60.4461 72.9384 172.0424 112 R 5.1507 9.2334 121.5927 54.6205 33.0312 173.9938 113 F 5.2690 9.5938 124.8023 55.6678 42.1103 174.4308 114 A 5.0617 9.2032 125.7230 50.2802 20.7775 174.4339 115 L 5.0777 8.7750 124.1851 54.8958 44.1798 175.6032 116 S 4.9374 9.1708 121.5460 56.6042 66.8460 172.8848 117 K 4.3711 8.5983 126.0183 55.6326 33.1374 175.9500 118 V 4.3250 8.7711 127.5616 61.3008 34.1045 174.0845 119 S 5.2934 8.6968 124.2184 56.9571 64.3177 173.8442 120 A 4.5242 9.2120 127.0427 52.1757 22.4501 175.6637 121 E 3.7939 9.8686 121.0701 57.5435 27.1647 175.9666 122 G 3.9504 8.3100 102.2771 45.8258 0.0000 173.4334 123 K 4.5444 8.2343 118.9193 54.1451 35.2459 174.9783 124 V 4.6467 7.9840 120.8855 61.6517 32.9932 174.3752 125 Y 4.9075 9.3053 125.0717 56.3945 42.1313 174.1380 126 Y 5.2712 8.7846 116.5070 56.4192 42.5630 174.3564 127 L 5.3362 9.3351 125.6282 53.2660 45.1294 174.5738 128 A 5.2660 9.2880 128.5682 50.2957 21.6279 174.9313 129 L 5.0956 8.9388 123.2932 52.9821 44.1632 175.8216 130 V 4.5471 8.7750 123.8685 60.8889 34.6211 174.2175 131 R 4.8825 8.5373 126.2847 54.1386 33.7513 173.8212 132 D 4.7946 8.7469 124.2377 54.4001 42.2310 175.7336 133 A 4.3864 8.7663 125.9626 52.2349 19.0606 175.7808 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 20 G 8.21 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 21 I 7.90 3.63 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.94 0.11 0.00 0.00 22 F 7.98 4.19 0.00 3.15 3.07 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 23 F 7.97 4.15 0.00 3.13 3.08 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 24 P 0.00 3.99 0.00 2.14 2.06 0.00 3.80 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 25 A 7.69 3.95 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 26 L 7.50 4.25 0.00 1.60 1.79 0.80 0.79 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 27 E 8.15 4.00 0.00 1.16 1.49 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 2.14 2.22 0.00 28 Q 8.04 4.40 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 29 N 7.60 4.52 0.00 2.97 2.88 0.00 0.00 7.10 7.53 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 30 M 8.46 4.18 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 31 M 8.36 4.45 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.46 0.00 32 G 9.00 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 9.23 5.32 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 34 V 8.98 4.87 2.23 0.00 0.00 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 0.93 0.00 0.00 35 L 9.20 5.51 0.00 2.03 1.76 1.01 0.66 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 36 I 8.88 5.22 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.91 0.99 0.00 0.00 37 N 8.82 4.99 0.00 2.86 3.15 0.00 0.00 6.74 7.50 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 38 E 8.21 3.90 0.00 1.95 1.82 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 2.18 2.19 0.00 39 N 8.61 4.71 0.00 2.88 2.82 0.00 0.00 6.87 7.75 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 40 D 8.08 4.70 0.00 2.88 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 41 E 7.64 4.80 0.00 2.23 1.83 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 2.25 2.40 0.00 42 V 8.66 4.33 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 0.84 0.00 0.00 0.81 0.00 0.00 43 M 9.36 4.85 0.00 2.11 2.26 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 2.67 2.84 0.00 44 F 8.04 5.04 0.00 3.18 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 45 F 7.89 4.90 0.00 2.78 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 46 N 7.79 4.34 0.00 2.91 2.50 0.00 0.00 6.74 8.21 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 47 P 0.00 4.50 0.00 2.13 2.12 0.00 3.97 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 2.09 1.99 0.00 48 A 7.85 3.96 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 49 A 7.70 3.97 0.38 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 50 E 7.71 4.66 0.00 2.26 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 0.00 2.76 2.39 0.00 51 K 7.89 4.00 0.00 1.90 1.90 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.62 7.81 52 L 7.69 4.04 0.00 1.84 1.37 0.79 0.82 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 53 W 8.87 4.48 0.00 4.00 3.50 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 0.00 0.00 0.00 0.00 54 G 8.69 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 0.00 0.00 0.00 55 Y 7.96 5.05 0.00 3.11 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 56 K 9.30 4.81 0.00 1.85 1.95 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.45 7.81 57 R 9.57 4.05 0.00 2.07 2.49 0.00 2.83 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 58 E 8.22 4.01 0.00 1.95 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 2.33 2.48 0.00 59 E 8.23 4.26 0.00 1.98 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 2.33 2.34 0.00 60 V 6.91 3.71 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 -0.09 0.00 0.00 61 I 7.47 3.84 1.84 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.93 0.00 0.00 62 G 9.31 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 0.00 0.00 0.00 63 N 7.80 4.71 0.00 2.70 2.61 0.00 0.00 6.87 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 64 N 8.13 4.88 0.00 2.72 2.88 0.00 0.00 6.42 7.35 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 65 I 8.40 3.60 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.92 0.00 0.00 66 D 8.24 4.39 0.00 2.67 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 67 M 7.79 4.14 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.54 0.00 68 L 7.76 4.46 0.00 1.65 1.61 0.34 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.22 4.23 1.96 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.62 0.87 0.00 0.00 70 P 0.00 4.47 0.00 2.14 1.94 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 71 R 9.37 3.92 0.00 1.85 2.01 0.00 3.13 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 72 D 8.05 4.62 0.00 2.78 2.78 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 0.00 0.00 0.00 73 L 8.00 4.64 0.00 1.81 1.73 0.98 1.10 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 74 R 7.59 3.90 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 75 P 0.00 4.31 0.00 1.97 2.07 0.00 3.71 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 2.00 2.12 0.00 76 A 7.64 4.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 3.90 0.00 3.35 3.29 0.00 5.61 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 78 P 0.00 4.21 0.00 2.10 2.05 0.00 3.42 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 79 E 7.57 3.87 0.00 1.89 1.85 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 2.20 2.39 0.00 80 Y 7.39 4.37 0.00 3.03 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 81 I 7.58 3.58 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.87 0.00 0.00 82 R 7.95 3.89 0.00 1.96 1.92 0.00 3.07 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 83 H 8.09 4.33 0.00 3.32 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.74 4.55 0.00 2.84 3.02 0.00 0.00 7.25 7.53 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 85 R 8.29 4.38 0.00 2.05 2.05 0.00 3.27 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 86 E 7.72 4.31 0.00 2.11 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 2.63 2.30 0.00 87 G 8.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.84 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 0.00 0.00 0.00 *93 E 8.31 4.23 0.00 1.70 1.88 0.00 0.00 0.00 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 1.90 0.00 94 G 8.43 4.58 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 0.00 0.00 0.00 95 M 8.05 4.84 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 96 S 8.80 5.93 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.38 4.70 0.00 1.90 2.01 0.00 3.21 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 98 E 8.76 5.06 0.00 1.97 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 0.00 2.50 2.40 0.00 99 L 9.21 4.95 0.00 1.29 1.22 0.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.98 3.63 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.80 0.00 0.00 0.00 0.00 0.00 1.73 1.17 0.00 101 L 8.39 4.33 0.00 1.55 1.35 -0.50 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 102 E 8.48 4.87 0.00 1.95 1.85 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 2.21 2.28 0.00 103 K 8.96 4.49 0.00 1.91 1.75 0.00 1.67 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.55 1.26 7.81 104 K 8.45 3.55 0.00 0.79 1.41 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.13 7.81 105 D 7.82 4.49 0.00 2.79 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 0.00 106 G 8.12 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 0.00 0.00 0.00 107 S 8.57 4.33 0.00 3.95 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 0.00 108 K 8.25 5.18 0.00 1.50 1.49 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.45 7.81 109 I 8.30 4.69 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.04 0.86 0.00 0.00 110 W 8.73 4.83 0.00 3.36 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 0.00 111 T 9.15 5.37 4.41 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 1.13 0.00 0.00 112 R 9.23 5.15 0.00 1.91 1.82 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 113 F 9.59 5.27 0.00 2.99 3.02 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 0.00 114 A 9.20 5.06 1.27 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 0.00 0.00 115 L 8.78 5.08 0.00 1.98 1.66 1.10 0.67 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 0.00 116 S 9.17 4.94 0.00 3.84 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 0.00 117 K 8.60 4.37 0.00 1.94 1.79 0.00 2.03 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 0.88 7.81 118 V 8.77 4.32 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 0.84 0.00 0.00 0.98 0.00 0.00 119 S 8.70 5.29 0.00 3.77 3.78 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 0.00 0.00 0.00 120 A 9.21 4.52 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 0.00 0.00 0.00 0.00 0.00 121 E 9.87 3.79 0.00 2.12 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 2.23 2.28 0.00 122 G 8.31 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 0.00 123 K 8.23 4.54 0.00 1.97 1.33 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.51 7.81 124 V 7.98 4.65 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 0.46 0.00 0.00 0.87 0.00 0.00 125 Y 9.31 4.91 0.00 2.90 2.97 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 0.00 126 Y 8.78 5.27 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 9.34 5.34 0.00 1.81 1.58 1.12 1.19 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 0.00 128 A 9.29 5.27 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.94 5.10 0.00 1.60 1.57 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.78 4.55 1.80 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 0.46 0.00 0.00 -0.11 0.00 0.00 131 R 8.54 4.88 0.00 1.85 1.67 0.00 3.14 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 132 D 8.75 4.79 0.00 2.68 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 0.00 133 A 8.77 4.39 1.27 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.