NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9542 8.3549 109.7379 45.6371 0.0000 172.8242 5 T 4.3334 8.3241 116.7919 60.4384 70.6089 168.8445 6 V 4.4419 8.9162 126.4538 60.6928 35.0072 174.0448 7 W 4.6111 8.8892 126.5526 54.9019 30.7004 175.4338 8 G 4.2925 8.6500 110.5576 43.5741 0.0000 171.4613 9 A 4.8026 8.0454 119.8140 49.7771 22.1543 175.7105 10 L 4.1353 8.5676 121.0840 56.5615 42.1231 178.3517 11 G 3.9559 8.8504 110.0637 45.9667 0.0000 173.2854 12 H 4.6638 7.7960 116.2665 54.6208 30.2374 174.1351 13 G 4.1525 8.1020 109.3410 44.3480 0.0000 172.3540 14 I 4.3566 7.6652 116.8888 59.8433 40.5880 173.1281 15 N 4.7467 8.5259 122.8123 51.3080 40.1647 174.3944 16 L 4.3013 8.1669 124.1799 53.7698 41.9757 176.0148 17 N 4.8664 8.6021 121.9072 51.7791 39.7223 175.2371 18 I 3.8479 8.5354 124.1703 60.4526 37.4629 174.2936 19 P 4.2103 0.0000 0.0000 64.4826 31.8286 176.6348 20 N 4.1731 8.9413 116.6209 53.7821 35.5550 172.8470 21 F 4.8946 7.6032 119.2460 56.6406 43.0050 173.0619 22 Q 4.0747 7.1158 126.2677 53.7890 31.2502 174.4658 23 M 3.9365 8.3348 125.5660 55.8980 32.6968 175.0087 24 T 4.7186 7.9922 121.4352 62.0053 72.6127 173.1290 25 D 4.6326 8.5915 120.0507 55.9439 41.0840 176.3084 26 D 4.8064 7.8833 118.1962 54.3548 41.5417 175.5434 27 I 4.5536 7.7502 118.1475 59.1973 39.5149 174.7787 28 D 4.5987 8.7484 125.6428 56.1492 42.5765 175.5529 29 E 5.6280 7.8667 116.4156 54.6604 33.1277 174.5280 30 V 4.4419 8.6310 124.6061 61.0912 34.7572 173.8689 31 R 5.0816 8.5146 127.3955 54.2848 33.0168 174.1120 32 W 4.8232 9.4226 126.0209 55.0126 31.9021 174.5526 33 E 5.1589 8.9641 122.8030 54.6721 33.5901 175.8029 34 R 4.4096 8.9308 122.3130 54.9964 31.9663 176.2444 35 G 3.8455 8.1987 118.0812 46.8331 0.0000 174.7160 36 S 4.3242 8.7624 119.3223 59.4342 63.6119 174.1879 37 T 4.0994 7.8540 120.0765 62.8063 68.8817 173.4660 38 L 4.6350 8.3570 128.5450 54.1877 42.3511 175.9904 39 V 4.0241 8.6818 127.1326 65.3633 32.2521 176.1291 40 A 4.7704 7.8271 119.5109 51.0040 22.4940 174.7362 41 E 5.2267 8.7468 121.0550 54.8280 33.2028 173.8822 42 F 5.0839 9.3320 128.7374 56.3391 42.5904 174.0622 43 K 4.3965 7.9307 127.0671 55.2081 33.7747 175.6177 44 R 3.9926 8.0744 125.5512 59.1761 29.6470 177.8169 45 K 4.0991 8.4043 120.2575 54.7046 32.9925 174.5225 *48 P 4.3168 0.0000 0.0000 62.2739 32.4823 176.0782 49 F 4.4133 8.5234 121.9507 57.7846 40.1283 175.1309 50 L 4.4397 6.8161 126.0373 52.8207 45.3606 175.7718 51 K 3.8212 8.6593 125.6281 59.1897 32.5046 175.8866 52 S 4.5520 7.6802 110.6066 57.3214 65.3616 174.6750 53 G 3.7561 8.5594 107.8495 47.1038 0.0000 174.4726 54 A 3.9693 7.8085 123.1640 53.5838 18.6126 176.7634 55 F 5.8874 7.7654 112.8635 54.7904 43.1288 174.4588 56 E 4.7532 8.5522 115.1023 55.6264 32.4769 173.7970 57 I 4.7306 8.3526 123.6253 59.4572 39.4253 175.4276 58 L 4.3007 9.0553 129.9862 53.8868 42.5977 177.9709 59 A 4.0013 8.6882 122.7435 55.6754 18.0750 178.8370 60 N 4.4495 8.0215 109.5204 53.9513 37.4979 175.8318 61 G 3.9933 8.0468 108.0998 45.0896 0.0000 173.6804 62 D 4.5711 8.2339 120.1012 54.1597 42.2453 174.9315 63 L 4.8196 8.3702 123.6435 53.6626 43.7586 175.2210 64 K 4.5592 9.1731 128.2864 54.7794 34.4388 174.6894 65 I 4.4271 8.1549 127.9327 59.5958 38.4424 175.4478 66 K 3.9652 9.0245 128.0597 58.8561 32.1569 177.7258 67 N 4.7020 7.6858 121.9689 51.1028 40.1912 173.5243 68 L 4.2793 8.3897 126.2764 54.9156 42.4871 176.7991 69 T 4.7364 8.4028 111.7320 59.2806 72.1096 174.7768 70 R 3.9611 8.4656 120.5123 59.4303 30.1383 178.0445 71 D 4.5004 7.5388 116.5307 56.8471 40.8379 177.0017 72 D 4.7680 7.9243 117.7155 55.4181 41.2657 176.9849 73 S 4.5233 7.5261 114.0623 58.1669 63.9443 173.2623 74 G 3.9221 8.3955 107.5778 43.8785 0.0000 172.2350 75 T 4.8304 8.0903 116.8770 62.9752 69.3477 174.3680 76 Y 4.6316 9.1039 124.4711 56.2215 40.8010 174.3849 77 N 5.5492 8.8201 120.2425 51.4559 41.5152 173.9612 78 V 4.5307 8.7684 123.2412 61.4070 34.4926 174.3975 79 T 5.0661 8.4508 122.7430 61.7392 72.3035 173.2475 80 V 4.4274 8.4630 125.4132 61.1710 34.6246 173.6821 81 Y 5.3143 8.5261 124.4417 56.0256 40.9329 175.8899 82 S 4.4887 9.3688 118.5560 57.7598 64.1371 175.1835 83 T 4.0971 8.5447 117.6697 66.4240 68.1195 174.8253 84 N 4.6787 8.2783 116.1539 52.4018 37.5349 175.8694 85 G 3.9771 8.6708 107.7543 45.7493 0.0000 174.3522 86 T 4.0019 7.4887 116.6842 63.2560 68.8834 174.0897 87 R 4.3152 8.5927 126.9178 55.9078 28.8905 175.6022 88 I 4.1797 7.9509 118.8133 61.6868 38.6694 175.6871 89 L 4.4845 7.3264 123.9174 54.2564 45.6436 173.8409 90 D 4.8523 8.3050 124.4580 53.7562 43.1595 174.2963 91 K 4.7885 9.0600 125.2381 54.5170 36.7478 175.1951 92 A 5.0086 8.6067 124.7125 50.3095 20.9872 176.1028 93 L 4.5166 9.5480 125.9082 53.0537 44.5814 175.2715 94 D 4.8258 8.7944 127.4998 53.8516 41.7058 175.0605 95 L 4.5270 9.2155 130.4235 54.1216 43.2050 175.5517 96 R 5.0234 8.6416 124.9694 54.4960 33.0208 175.6944 97 I 4.4892 8.0438 121.4612 59.0715 40.0512 175.3905 98 L 4.1122 8.5439 127.7137 54.9621 42.6412 176.1366 99 E 4.2271 8.5345 125.4113 56.4323 29.9411 174.7944 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 4 G 8.35 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 5 T 8.32 4.33 4.29 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 1.03 0.00 0.00 6 V 8.92 4.44 2.05 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 0.87 0.00 0.00 0.96 0.00 0.00 7 W 8.89 4.61 0.00 3.31 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 8 G 8.65 4.29 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 0.00 9 A 8.05 4.80 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 10 L 8.57 4.14 0.00 1.68 1.66 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.85 3.96 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 0.00 0.00 0.00 12 H 7.80 4.66 0.00 3.40 3.26 0.00 5.82 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 G 8.10 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 14 I 7.67 4.36 1.87 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 1.39 0.62 0.86 0.00 0.00 15 N 8.53 4.75 0.00 2.68 2.68 0.00 0.00 6.97 7.85 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 16 L 8.17 4.30 0.00 1.00 1.62 0.74 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.60 4.87 0.00 2.77 2.84 0.00 0.00 7.21 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 18 I 8.54 3.85 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 1.31 0.70 0.50 0.00 0.00 19 P 0.00 4.21 0.00 2.04 2.03 0.00 3.76 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 2.03 2.16 0.00 20 N 8.94 4.17 0.00 2.81 2.84 0.00 0.00 6.81 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 21 F 7.60 4.89 0.00 2.90 3.05 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 22 Q 7.12 4.07 0.00 1.79 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 23 M 8.33 3.94 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 24 T 7.99 4.72 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 1.20 0.00 0.00 25 D 8.59 4.63 0.00 2.67 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 26 D 7.88 4.81 0.00 2.63 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 27 I 7.75 4.55 2.19 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 1.17 0.00 0.00 28 D 8.75 4.60 0.00 2.79 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 5.63 0.00 1.86 1.70 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 2.17 2.34 0.00 30 V 8.63 4.44 2.33 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 0.92 0.00 0.00 1.12 0.00 0.00 31 R 8.51 5.08 0.00 1.95 1.66 0.00 3.22 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.00 32 W 9.42 4.82 0.00 3.38 3.04 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 33 E 8.96 5.16 0.00 1.80 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 2.22 2.29 0.00 34 R 8.93 4.41 0.00 1.79 1.79 0.00 3.20 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 35 G 8.20 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 36 S 8.76 4.32 0.00 3.98 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 37 T 7.85 4.10 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 1.21 0.00 0.00 38 L 8.36 4.63 0.00 1.58 1.59 0.95 0.96 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 39 V 8.68 4.02 2.27 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 0.74 0.00 0.00 0.99 0.00 0.00 40 A 7.83 4.77 1.26 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 0.00 0.00 0.00 41 E 8.75 5.23 0.00 1.99 1.81 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 2.21 2.49 0.00 42 F 9.33 5.08 0.00 3.18 2.95 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 43 K 7.93 4.40 0.00 1.61 1.51 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.32 7.81 44 R 8.07 3.99 0.00 1.86 2.07 0.00 3.37 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 45 K 8.40 4.10 0.00 1.89 1.75 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.50 7.81 *48 P 0.00 4.32 0.00 2.08 2.06 0.00 3.78 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 49 F 8.52 4.41 0.00 3.00 2.94 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 50 L 6.82 4.44 0.00 1.39 1.35 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.66 3.82 0.00 1.69 1.74 0.00 1.84 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.51 7.81 52 S 7.68 4.55 0.00 4.04 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 53 G 8.56 3.76 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 0.00 0.00 0.00 54 A 7.81 3.97 0.89 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 0.00 0.00 55 F 7.77 5.89 0.00 2.91 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 56 E 8.55 4.75 0.00 2.01 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 2.26 2.29 0.00 57 I 8.35 4.73 1.91 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 1.37 1.05 0.94 0.00 0.00 58 L 9.06 4.30 0.00 1.88 1.60 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.69 4.00 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 60 N 8.02 4.45 0.00 2.83 2.96 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.05 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 62 D 8.23 4.57 0.00 2.72 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 63 L 8.37 4.82 0.00 1.64 1.53 0.98 0.56 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 64 K 9.17 4.56 0.00 1.84 1.78 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 65 I 8.15 4.43 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.78 0.65 0.00 0.00 66 K 9.02 3.97 0.00 1.54 1.79 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.33 7.81 67 N 7.69 4.70 0.00 2.56 2.61 0.00 0.00 6.99 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 68 L 8.39 4.28 0.00 1.65 1.59 0.90 0.85 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 69 T 8.40 4.74 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 1.24 0.00 0.00 70 R 8.47 3.96 0.00 1.87 1.98 0.00 3.19 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 71 D 7.54 4.50 0.00 2.85 2.77 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 72 D 7.92 4.77 0.00 2.90 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 73 S 7.53 4.52 0.00 4.09 3.92 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 74 G 8.40 3.92 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 0.00 0.00 0.00 75 T 8.09 4.83 4.21 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 0.00 0.00 1.23 0.00 0.00 76 Y 9.10 4.63 0.00 3.07 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 77 N 8.82 5.55 0.00 2.57 2.71 0.00 0.00 6.75 7.68 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 78 V 8.77 4.53 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 0.99 0.00 0.00 1.01 0.00 0.00 79 T 8.45 5.07 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 0.90 0.00 0.00 80 V 8.46 4.43 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 0.97 0.00 0.00 0.89 0.00 0.00 81 Y 8.53 5.31 0.00 2.87 2.82 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 82 S 9.37 4.49 0.00 3.98 4.03 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 0.00 0.00 0.00 83 T 8.54 4.10 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 1.23 0.00 0.00 84 N 8.28 4.68 0.00 2.84 2.92 0.00 0.00 6.21 7.00 0.00 0.00 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 G 8.67 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.49 4.00 4.29 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 1.24 0.00 0.00 87 R 8.59 4.32 0.00 1.88 1.89 0.00 3.19 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.05 0.00 88 I 7.95 4.18 1.84 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 0.68 0.91 0.00 0.00 89 L 7.33 4.48 0.00 1.69 1.39 0.89 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.30 4.85 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.79 0.00 1.67 1.62 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.50 7.81 92 A 8.61 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 93 L 9.55 4.52 0.00 1.69 1.61 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.79 4.83 0.00 2.75 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 95 L 9.22 4.53 0.00 1.79 1.90 0.90 0.76 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 96 R 8.64 5.02 0.00 1.73 1.83 0.00 3.22 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 97 I 8.04 4.49 1.89 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 1.32 0.65 0.92 0.00 0.00 98 L 8.54 4.11 0.00 1.58 1.58 0.92 0.88 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 99 E 8.53 4.23 0.00 1.91 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 2.18 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.