NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.5606 8.2876 120.1766 56.7285 31.4646 174.1353 3 S 5.1068 8.3443 115.6127 55.7104 65.9824 171.4899 4 I 5.0264 8.7271 114.0063 59.5838 41.9007 175.8144 5 T 4.6778 8.7608 113.9634 60.9617 70.4483 176.3026 6 V 3.7622 8.4220 114.8948 64.7113 31.5925 179.0329 7 T 3.8294 7.8296 115.2987 66.6243 68.1362 176.4201 8 E 3.9904 7.9227 119.3667 59.1831 29.8814 178.8155 9 L 4.0090 8.0966 120.5540 58.1020 42.2023 179.2278 10 K 4.0687 8.2842 118.5430 59.5157 31.9967 179.1654 11 E 4.0737 8.1631 118.1089 58.7556 29.3287 179.3200 12 K 4.8657 7.7167 119.5739 58.6190 31.7533 179.1278 13 I 3.7814 7.5151 119.7265 63.9215 37.0307 177.3154 14 L 4.3531 7.5323 117.2241 54.4253 42.0127 176.5340 15 D 4.6653 7.6082 120.3124 52.7163 42.2723 177.1727 16 A 3.9590 8.6296 122.9136 55.1680 18.2384 177.5817 17 N 5.1208 7.6712 110.8053 50.3237 41.7200 172.9551 18 P 4.3968 0.0000 0.0000 62.8108 32.1849 176.6121 19 V 4.0764 7.9149 113.8236 60.5273 33.0743 175.3468 20 N 4.7743 8.5686 119.3951 53.0392 39.6493 174.2033 21 I 5.1883 8.5737 124.4869 59.4184 40.9490 174.6807 22 V 4.7352 9.0567 126.3960 61.1941 34.3921 173.7166 23 D 5.0281 9.2372 129.4492 53.2642 42.2446 176.4192 24 V 4.9329 8.3785 119.0710 60.7087 32.9563 176.7748 25 R 4.2054 8.1076 121.4510 55.6941 31.0461 176.6386 26 T 4.3208 8.6673 110.1361 60.7740 71.2244 174.9920 27 D 4.3202 8.6016 120.4499 58.0981 40.8319 178.6429 28 Q 4.0087 8.0092 117.5887 59.0281 29.0738 177.7897 29 E 4.1318 8.0144 118.9374 59.5592 29.8092 178.9348 30 T 4.0290 7.8240 107.9536 63.8387 69.3444 176.6540 31 A 4.2802 7.7789 126.2809 50.6088 17.7694 177.3991 *33 G 3.8538 7.5679 108.5688 46.9795 0.0000 173.1656 34 I 4.7959 8.1313 116.1923 58.3297 41.9127 174.6206 35 I 4.0515 7.9424 123.5154 60.3592 38.0241 174.2204 36 P 5.1861 0.0000 0.0000 63.8368 31.5454 176.8421 37 G 3.9287 9.1294 110.8173 44.9797 0.0000 173.3775 38 A 4.4062 7.6133 121.5181 51.8567 19.3559 176.5661 39 E 4.5262 9.0694 122.5861 54.9591 31.7462 174.8513 40 T 4.9281 8.3278 117.0528 60.2994 70.5499 174.2530 41 I 4.3346 8.4075 127.5016 58.1334 40.5736 173.9549 42 P 5.2368 0.0000 0.0000 61.0428 30.3742 178.7259 *44 N 4.5025 8.7316 120.8414 54.2024 40.6714 175.6305 45 S 4.5496 7.9637 111.5588 58.4373 63.5426 175.8539 46 I 3.7676 7.5867 124.4627 64.5126 36.6840 176.0601 47 P 4.5497 0.0000 0.0000 64.4720 31.2030 177.2933 48 D 4.8802 7.7179 114.6003 54.0725 41.3200 176.2748 49 N 5.1674 8.1034 117.6915 52.9048 39.8066 176.7506 50 L 4.3969 8.2560 121.0985 57.8007 41.9164 178.8537 51 N 4.5319 8.1777 115.6093 55.6791 39.1933 175.0999 52 Y 3.9998 7.8656 118.8328 60.4065 38.9888 175.9102 53 F 3.7964 7.6941 118.9794 56.4971 39.5220 174.4889 54 N 4.6318 9.4565 125.9610 52.8350 39.0683 175.5769 55 D 4.5070 8.8368 125.9562 56.7153 41.0631 176.5438 56 N 4.6252 8.6797 116.4005 53.5788 39.2057 173.5818 57 E 4.7334 8.1072 115.7863 55.4655 32.7477 174.7334 58 T 4.9404 7.9090 115.3291 62.1210 71.5847 173.5839 59 Y 4.9390 8.9833 122.3606 56.4838 41.7571 174.0796 60 Y 4.8804 9.4712 122.2034 56.8621 40.0729 174.5088 61 I 5.0107 8.8738 126.0201 59.7601 39.6201 174.7170 62 I 4.9695 8.8288 126.5294 59.6303 41.6262 174.2862 63 C 5.1556 8.2346 121.4206 57.0055 32.1405 172.9584 64 K 4.0120 8.9479 118.5404 59.7202 31.8724 179.0771 65 A 4.7633 8.0970 117.1712 51.3182 20.6499 176.3549 66 G 4.1475 8.4456 104.1434 45.4690 0.0000 176.5630 67 G 3.6389 8.2107 106.1324 48.0029 0.0000 176.0796 68 R 4.6040 8.2064 122.3677 58.2700 29.6269 179.1963 69 S 4.1669 8.0787 113.5174 61.3685 63.0887 176.2872 70 A 4.0367 7.6429 122.9911 54.9079 18.1973 179.6491 71 Q 3.9579 7.9024 116.2625 59.1622 28.7949 179.1428 72 V 3.6444 7.8648 119.3024 65.8252 31.4482 178.2096 73 V 3.5473 7.9964 118.2406 66.1462 31.4220 178.0045 74 Q 3.9670 8.1238 117.7212 59.0609 28.5680 178.2204 75 Y 3.9780 8.0938 120.4094 60.6435 38.7932 178.1149 76 L 3.7975 8.3263 120.1937 57.8985 41.8603 179.3934 77 E 4.4719 8.2483 120.0438 58.8944 29.1865 178.7499 78 Q 4.3011 7.7993 114.9870 56.7070 28.7956 176.1812 79 N 4.6794 7.6368 117.0833 52.7806 39.2769 175.2808 80 G 3.8214 8.0107 104.9023 45.6817 0.0000 173.9513 81 V 4.1884 7.1836 118.7600 60.9087 33.2953 174.3387 82 N 5.1469 8.6152 123.2748 52.4091 39.4491 173.8859 83 A 5.2409 9.0659 125.3002 50.0575 22.7695 175.1677 84 V 4.4608 8.5113 119.4940 60.9951 35.0525 174.2508 85 N 4.8702 9.1321 126.7386 53.2487 40.3018 174.0514 86 V 4.6551 8.3491 125.8819 61.1436 32.5567 175.0541 87 E 4.0260 8.8912 128.9095 57.8657 29.8721 177.7258 88 G 4.0516 8.9119 111.1048 43.9101 0.0000 176.6436 89 G 4.1132 7.9415 108.1782 46.6160 0.0000 175.3470 *91 D 4.5776 8.9600 119.0735 54.2853 43.5696 177.8627 92 E 4.3568 7.7554 115.2831 58.6859 29.8878 178.0936 93 F 3.9205 8.2267 120.9395 59.5665 39.4937 175.4260 94 G 3.9515 7.7654 103.4094 45.4231 0.0000 172.5157 95 D 4.8990 8.3295 115.1413 53.9241 41.1822 176.3636 96 E 4.4330 8.0720 119.2981 56.1996 30.6541 176.0376 97 G 3.9140 8.6411 110.3089 46.7927 0.0000 173.3936 98 L 4.7272 7.8428 117.9092 53.0515 44.1870 175.9669 99 E 4.3522 9.0231 121.0206 55.8577 31.0582 176.5790 100 H 4.6160 8.6665 120.4484 55.8682 28.7753 174.8174 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 E 8.29 4.56 0.00 1.91 1.93 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 2.29 2.30 0.00 3 S 8.34 5.11 0.00 4.02 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 4 I 8.73 5.03 1.96 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 1.53 0.98 1.08 0.00 0.00 5 T 8.76 4.68 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 6 V 8.42 3.76 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 1.03 0.00 0.00 0.98 0.00 0.00 7 T 7.83 3.83 4.23 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 0.00 0.00 0.00 1.19 0.00 0.00 8 E 7.92 3.99 0.00 2.17 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 2.36 2.33 0.00 9 L 8.10 4.01 0.00 1.88 1.94 0.68 0.37 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 10 K 8.28 4.07 0.00 1.90 1.77 0.00 1.44 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.46 7.81 11 E 8.16 4.07 0.00 2.17 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 2.31 2.52 0.00 12 K 7.72 4.87 0.00 1.92 1.74 0.00 1.59 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.23 7.81 13 I 7.52 3.78 1.95 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 1.54 0.60 0.92 0.00 0.00 14 L 7.53 4.35 0.00 1.74 1.69 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.61 4.67 0.00 2.84 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 16 A 8.63 3.96 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 17 N 7.67 5.12 0.00 2.68 2.69 0.00 0.00 6.92 8.02 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 18 P 0.00 4.40 0.00 2.17 2.04 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 19 V 7.91 4.08 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 0.63 0.00 0.00 0.72 0.00 0.00 20 N 8.57 4.77 0.00 2.60 2.75 0.00 0.00 6.63 7.55 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 21 I 8.57 5.19 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.92 0.00 0.00 22 V 9.06 4.74 2.29 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 0.99 0.00 0.00 1.24 0.00 0.00 23 D 9.24 5.03 0.00 2.69 2.50 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 24 V 8.38 4.93 2.08 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 0.78 0.00 0.00 0.96 0.00 0.00 25 R 8.11 4.21 0.00 1.88 2.05 0.00 3.15 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 26 T 8.67 4.32 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 27 D 8.60 4.32 0.00 2.71 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 28 Q 8.01 4.01 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 29 E 8.01 4.13 0.00 2.17 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 2.31 2.36 0.00 30 T 7.82 4.03 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 A 7.78 4.28 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 *33 G 7.57 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 34 I 8.13 4.80 1.81 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 1.19 1.08 0.95 0.00 0.00 35 I 7.94 4.05 1.66 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.31 0.80 0.00 0.00 36 P 0.00 5.19 0.00 2.04 2.13 0.00 3.76 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 37 G 9.13 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 38 A 7.61 4.41 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.53 0.00 2.15 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 1.47 1.90 0.00 40 T 8.33 4.93 4.19 0.00 0.00 0.00 0.00 0.00 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 41 I 8.41 4.33 1.78 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.31 0.85 0.00 0.00 42 P 0.00 5.24 0.00 2.14 1.78 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 *44 N 8.73 4.50 0.00 2.65 2.85 0.00 0.00 6.77 7.63 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 45 S 7.96 4.55 0.00 4.06 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 46 I 7.59 3.77 1.76 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.96 0.98 0.00 0.00 47 P 0.00 4.55 0.00 1.98 2.15 0.00 3.71 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.34 0.00 48 D 7.72 4.88 0.00 2.67 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 49 N 8.10 5.17 0.00 2.78 2.76 0.00 0.00 6.98 6.36 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 50 L 8.26 4.40 0.00 1.80 1.81 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.18 4.53 0.00 2.72 2.89 0.00 0.00 6.93 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 52 Y 7.87 4.00 0.00 2.77 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 53 F 7.69 3.80 0.00 3.06 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 54 N 9.46 4.63 0.00 2.69 2.87 0.00 0.00 6.77 8.22 0.00 0.00 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 8.84 4.51 0.00 2.73 2.74 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 56 N 8.68 4.63 0.00 2.67 2.88 0.00 0.00 6.97 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 57 E 8.11 4.73 0.00 1.87 1.68 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 2.16 2.22 0.00 58 T 7.91 4.94 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 0.96 0.00 0.00 59 Y 8.98 4.94 0.00 3.07 3.10 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 0.00 0.00 0.00 0.00 60 Y 9.47 4.88 0.00 3.09 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 61 I 8.87 5.01 1.93 0.00 0.00 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 1.18 1.37 0.97 0.00 0.00 62 I 8.83 4.97 1.89 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 1.27 1.51 0.86 0.00 0.00 63 C 8.23 5.16 0.00 3.06 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 64 K 8.95 4.01 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.45 7.81 65 A 8.10 4.76 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 66 G 8.45 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 0.00 0.00 0.00 67 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 4.60 0.00 1.87 1.99 0.00 3.41 0.00 0.00 3.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 69 S 8.08 4.17 0.00 4.25 4.22 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.64 4.04 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 71 Q 7.90 3.96 0.00 2.37 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 72 V 7.86 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 73 V 8.00 3.55 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 1.05 0.00 0.00 1.04 0.00 0.00 74 Q 8.12 3.97 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 75 Y 8.09 3.98 0.00 3.07 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 76 L 8.33 3.80 0.00 1.68 1.39 0.58 0.25 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 77 E 8.25 4.47 0.00 2.03 1.94 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 2.38 2.32 0.00 78 Q 7.80 4.30 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.24 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 79 N 7.64 4.68 0.00 2.48 2.55 0.00 0.00 6.99 7.92 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 80 G 8.01 3.82 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 0.00 0.00 0.00 81 V 7.18 4.19 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 0.81 0.00 0.00 0.73 0.00 0.00 82 N 8.62 5.15 0.00 2.99 2.72 0.00 0.00 6.68 7.78 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 83 A 9.07 5.24 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 84 V 8.51 4.46 1.51 0.00 0.00 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 0.63 0.00 0.00 85 N 9.13 4.87 0.00 2.91 2.69 0.00 0.00 6.45 8.17 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 86 V 8.35 4.66 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 1.01 0.00 0.00 1.11 0.00 0.00 87 E 8.89 4.03 0.00 2.03 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 2.39 2.54 0.00 88 G 8.91 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 0.00 0.00 0.00 89 G 7.94 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 8.96 4.58 0.00 2.95 2.79 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 92 E 7.76 4.36 0.00 2.06 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 2.36 2.27 0.00 93 F 8.23 3.92 0.00 3.03 3.11 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 0.00 0.00 0.00 0.00 94 G 7.77 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 95 D 8.33 4.90 0.00 2.70 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 96 E 8.07 4.43 0.00 1.93 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 2.27 2.22 0.00 97 G 8.64 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 98 L 7.84 4.73 0.00 1.43 1.67 0.97 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 99 E 9.02 4.35 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 100 H 8.67 4.62 0.00 3.04 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.87 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.