NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3894 8.2649 123.5928 51.9528 19.9572 176.0524 3 I 4.0542 8.3176 121.8552 59.3876 38.4338 173.7589 4 D 4.5836 8.4485 125.1906 53.2970 42.6925 176.8318 5 V 2.7692 8.3824 127.4307 64.8010 30.8817 178.0237 6 L 4.6651 7.8359 119.2302 56.3452 41.5362 178.3390 7 D 4.4613 7.9461 118.1337 55.8367 40.9002 177.9278 8 V 4.0056 7.2507 117.5859 63.1621 32.5822 175.9272 9 I 4.3363 7.3707 119.5332 58.3728 40.6389 175.2982 10 S 4.7298 8.3128 120.4605 57.7546 65.0249 174.8051 11 L 4.0993 8.4871 124.0481 58.5476 41.8010 179.3501 12 S 4.1479 8.0205 113.6533 61.3833 63.0193 176.3374 13 L 3.9211 7.7491 122.2517 57.3861 41.4469 179.2706 14 F 3.8522 7.9608 117.7518 60.6330 38.7696 177.9656 15 K 4.2500 8.4486 118.0874 59.5081 31.7813 179.5381 16 Q 3.9973 8.2625 118.6175 58.7359 28.3716 178.0566 17 Q 4.0333 7.8876 120.1797 58.8722 29.0878 178.0283 18 I 4.2441 7.2367 109.0667 59.4027 38.4778 175.0712 19 E 3.7310 7.8417 118.4495 57.7714 27.4942 174.8203 20 F 4.8102 8.3682 119.9713 56.8386 40.5403 175.2762 21 E 4.6706 8.0890 130.1651 56.1542 30.1922 175.4442 22 E 4.6428 7.2507 115.6214 54.8800 33.4197 175.7434 23 D 4.9068 8.5971 118.3379 54.4272 41.7881 176.6525 24 D 4.8616 8.0651 117.9013 53.3867 39.9358 176.6257 25 R 4.7821 7.8180 118.0841 55.9305 31.7604 177.1553 26 D 4.4174 8.4523 121.0542 57.4826 40.7710 178.0179 27 E 3.8883 8.0532 119.3634 59.0528 29.7923 178.4557 28 L 3.6516 7.7077 119.8688 58.1630 42.1708 178.7440 29 I 3.8692 7.7863 119.7639 64.7514 36.9612 178.5415 30 T 3.7043 7.9697 116.5453 66.3785 68.1657 176.3839 31 L 3.9136 7.6882 122.0817 58.4332 42.0436 178.6333 32 Y 4.4049 7.8362 116.3980 61.0578 37.7173 178.4824 33 A 3.6430 8.4221 121.9974 55.2110 18.3155 179.7346 34 Q 4.0218 8.4539 116.7232 59.0121 28.7040 178.9008 35 A 4.0875 8.5215 121.9216 55.1302 18.4028 179.5126 36 A 4.1094 8.5678 119.7007 55.3355 18.3017 179.6129 37 F 4.3583 8.4433 118.0900 61.5430 39.5835 176.3615 38 D 4.4197 8.4700 116.7374 57.5315 41.2698 177.2112 39 Y 4.3981 8.4387 120.1876 61.0057 38.7969 179.1753 40 C 4.5035 8.3118 116.0634 60.1989 27.8026 175.9830 *42 R 4.1835 7.9704 121.4616 56.0856 31.7427 177.8196 43 W 3.7651 8.1442 126.4145 60.5756 30.9364 176.9604 44 C 4.3265 8.7140 116.1919 61.1757 27.9800 173.5153 45 D 4.1769 7.2330 116.7649 55.3733 39.1407 174.1793 46 E 4.0393 7.1317 119.6962 53.3995 29.6740 173.9721 47 P 4.1950 0.0000 0.0000 64.7640 31.6216 178.0276 48 A 4.0314 7.4599 119.8423 53.6268 18.3974 177.7638 49 W 4.8957 7.3027 115.3278 56.1520 27.9078 175.8334 50 K 4.3901 9.4761 124.1215 57.2671 32.6934 177.7661 51 V 4.5789 7.6266 109.6838 58.7854 35.8729 176.0153 52 A 3.9226 8.8888 124.0653 55.6483 18.0336 180.1769 53 A 4.0709 7.9228 116.1223 54.9240 18.5407 178.3535 54 D 4.4279 8.1339 115.2955 56.3702 41.1643 176.8794 55 I 2.8522 7.1391 120.8290 59.9013 37.5501 174.9647 56 P 4.2791 0.0000 0.0000 61.8775 33.2815 177.3407 57 A 3.9358 8.3669 121.4241 55.2426 18.3759 180.0760 58 A 3.9773 7.9550 118.9586 55.2525 18.4521 179.8755 59 V 3.6054 7.6750 116.3267 66.0574 31.7018 178.1408 60 K 4.0437 7.9690 118.0642 59.4344 31.9189 179.4226 61 G 3.6299 8.1706 105.6803 47.7525 0.0000 175.6086 62 A 4.0332 8.0411 123.2937 54.8413 18.3485 179.7032 63 V 3.7520 8.2686 117.2196 66.3696 31.5502 178.1997 64 L 4.1989 8.1252 118.5030 57.8889 41.4560 179.5585 65 L 4.0484 7.8959 118.4062 57.8467 41.3629 179.8040 66 V 3.5894 7.8467 117.0546 65.7511 31.5493 177.4736 67 F 4.3376 8.4891 119.4208 61.4846 39.6326 176.6701 68 A 3.8168 8.3601 120.3318 54.8123 18.0749 179.4720 69 D 4.2266 7.8277 113.8845 55.1646 41.1092 177.7947 *71 F 3.9095 7.9851 121.1653 57.2182 40.9318 175.6861 72 E 3.9483 7.9273 118.4910 57.6161 29.6756 175.7447 73 H 4.6842 7.8010 115.0917 54.1857 29.5449 173.4945 74 R 4.2709 8.3301 122.8331 56.0990 29.8022 176.8956 75 T 4.6101 7.3526 108.0568 59.2274 71.2875 175.0262 76 A 4.1591 8.5576 125.9566 54.4007 18.7815 177.6931 77 Q 4.6753 7.3468 111.0580 54.0975 32.4663 174.6808 78 S 4.7433 8.0886 113.4678 56.5026 66.1990 174.1320 79 E 4.0924 8.7329 120.3466 58.1970 29.6524 177.5552 80 V 4.3327 7.3262 111.5541 58.7811 33.6786 175.3599 81 Q 3.7891 8.5123 125.1065 56.3733 29.3512 175.5643 82 L 4.3782 7.8870 124.3576 53.3630 43.3483 175.3568 83 Y 4.6658 7.9946 119.4264 55.6514 40.2754 175.4576 84 E 3.9180 8.8153 125.6199 56.1865 30.4007 175.4641 85 N 4.6416 8.6549 124.4309 52.2271 39.3344 175.3707 86 A 4.0507 8.6140 128.4580 54.7101 18.1831 178.6439 87 A 3.9127 8.1606 118.9566 55.2436 18.4577 179.1127 88 A 4.0841 7.5120 118.3641 55.6454 18.5506 179.5255 89 E 3.7436 7.9417 113.9654 58.7126 31.2977 178.2690 90 R 4.2077 7.6765 119.9251 56.1408 27.9324 176.4688 *93 F 5.1499 7.8281 122.6095 58.2247 41.6193 176.5601 94 I 3.9911 7.9162 119.4165 63.3959 37.8468 175.8051 95 H 5.0739 8.1269 115.2307 55.4366 29.8820 173.4952 96 R 4.1839 7.7641 119.3750 56.3387 30.4856 176.0521 97 N 4.3845 8.5189 121.0752 53.6185 38.9244 174.2602 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 4.39 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 3 I 8.32 4.05 2.32 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 1.42 0.88 1.01 0.00 0.00 4 D 8.45 4.58 0.00 2.68 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 5 V 8.38 2.77 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 0.74 0.00 0.00 0.92 0.00 0.00 6 L 7.84 4.67 0.00 1.63 1.76 0.89 1.14 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 7 D 7.95 4.46 0.00 2.74 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 8 V 7.25 4.01 1.92 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 0.77 0.00 0.00 0.62 0.00 0.00 9 I 7.37 4.34 1.34 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.78 -0.25 0.00 0.00 10 S 8.31 4.73 0.00 4.02 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 11 L 8.49 4.10 0.00 1.80 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.02 4.15 0.00 4.09 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 13 L 7.75 3.92 0.00 1.62 1.48 0.78 1.38 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 14 F 7.96 3.85 0.00 3.08 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.25 0.00 2.01 2.20 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.69 7.81 16 Q 8.26 4.00 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 17 Q 7.89 4.03 0.00 2.06 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 18 I 7.24 4.24 1.48 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.77 0.77 0.00 0.00 19 E 7.84 3.73 0.00 2.17 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 0.00 2.28 2.34 0.00 20 F 8.37 4.81 0.00 2.68 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 21 E 8.09 4.67 0.00 1.83 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 2.17 2.24 0.00 22 E 7.25 4.64 0.00 1.29 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 2.03 1.95 0.00 23 D 8.60 4.91 0.00 2.64 2.69 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 0.00 0.00 0.00 0.00 24 D 8.07 4.86 0.00 2.83 2.80 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 0.00 0.00 0.00 0.00 25 R 7.82 4.78 0.00 2.06 1.95 0.00 3.33 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 26 D 8.45 4.42 0.00 2.71 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 27 E 8.05 3.89 0.00 2.02 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 28 L 7.71 3.65 0.00 1.64 1.50 0.58 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.79 3.87 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.68 1.07 0.00 0.00 30 T 7.97 3.70 4.34 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 1.16 0.00 0.00 31 L 7.69 3.91 0.00 1.76 1.63 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.84 4.40 0.00 3.39 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 33 A 8.42 3.64 0.28 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 34 Q 8.45 4.02 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 35 A 8.52 4.09 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 0.00 0.00 0.00 0.00 0.00 36 A 8.57 4.11 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 0.00 0.00 0.00 0.00 0.00 37 F 8.44 4.36 0.00 3.11 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 38 D 8.47 4.42 0.00 2.86 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 39 Y 8.44 4.40 0.00 3.20 3.21 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 0.00 40 C 8.31 4.50 0.00 3.11 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 *42 R 7.97 4.18 0.00 2.10 1.97 0.00 3.15 0.00 0.00 3.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 W 8.14 3.77 0.00 2.83 3.14 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 0.00 0.00 0.00 0.00 44 C 8.71 4.33 0.00 3.28 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 D 7.23 4.18 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.13 4.04 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.19 0.00 1.98 2.02 0.00 3.51 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 48 A 7.46 4.03 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 49 W 7.30 4.90 0.00 3.46 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 50 K 9.48 4.39 0.00 1.78 1.91 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.59 7.81 51 V 7.63 4.58 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 0.83 0.00 0.00 1.01 0.00 0.00 52 A 8.89 3.92 1.31 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 0.00 0.00 53 A 7.92 4.07 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 54 D 8.13 4.43 0.00 2.87 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 55 I 7.14 2.85 1.70 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.83 0.68 0.00 0.00 56 P 0.00 4.28 0.00 1.76 1.72 0.00 2.44 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 57 A 8.37 3.94 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 58 A 7.96 3.98 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 0.00 0.00 0.00 0.00 0.00 59 V 7.67 3.61 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 1.19 0.00 0.00 0.99 0.00 0.00 60 K 7.97 4.04 0.00 1.95 1.75 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.57 7.81 61 G 8.17 3.63 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 62 A 8.04 4.03 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 63 V 8.27 3.75 2.36 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 1.47 0.00 0.00 1.29 0.00 0.00 64 L 8.13 4.20 0.00 1.94 1.76 0.81 -0.01 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 65 L 7.90 4.05 0.00 1.91 1.75 0.99 0.92 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 66 V 7.85 3.59 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 0.78 0.00 0.00 1.02 0.00 0.00 67 F 8.49 4.34 0.00 3.18 3.59 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 68 A 8.36 3.82 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.83 4.23 0.00 2.89 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 *71 F 7.99 3.91 0.00 2.35 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 E 7.93 3.95 0.00 1.55 1.71 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 2.54 2.36 0.00 73 H 7.80 4.68 0.00 3.11 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.27 0.00 1.71 1.89 0.00 3.21 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 75 T 7.35 4.61 4.25 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 1.17 0.00 0.00 76 A 8.56 4.16 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 77 Q 7.35 4.68 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 78 S 8.09 4.74 0.00 3.85 3.71 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 79 E 8.73 4.09 0.00 1.94 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 2.30 2.37 0.00 80 V 7.33 4.33 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 0.69 0.00 0.00 0.90 0.00 0.00 81 Q 8.51 3.79 0.00 1.82 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 82 L 7.89 4.38 0.00 1.48 1.39 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.99 4.67 0.00 2.96 2.84 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 0.00 0.00 0.00 84 E 8.82 3.92 0.00 1.95 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 2.29 2.30 0.00 85 N 8.65 4.64 0.00 2.86 2.70 0.00 0.00 7.10 7.67 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 86 A 8.61 4.05 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 87 A 8.16 3.91 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 88 A 7.51 4.08 1.31 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 0.00 0.00 89 E 7.94 3.74 0.00 1.93 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 2.27 2.57 0.00 90 R 7.68 4.21 0.00 2.10 1.95 0.00 3.13 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 *93 F 7.83 5.15 0.00 3.55 3.24 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 0.00 94 I 7.92 3.99 2.21 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.95 0.00 0.00 95 H 8.13 5.07 0.00 3.41 3.74 0.00 5.95 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.76 4.18 0.00 1.90 1.53 0.00 2.79 0.00 0.00 2.76 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.81 0.00 97 N 8.52 4.38 0.00 2.56 2.63 0.00 0.00 6.99 7.46 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 * Residues marked with a * may have inaccurate shift predictions.