NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 I 4.0722 8.0249 120.7877 60.6420 39.8631 176.1035 6 R 4.1312 7.7741 119.2932 53.5751 28.5200 174.1740 7 T 4.7391 8.3924 113.6878 58.9094 74.5513 174.2510 8 E 4.1010 8.5645 120.2562 59.4641 29.4715 179.4782 9 E 4.0159 8.1629 119.0010 59.1321 29.5275 179.3775 10 V 3.3126 7.5618 117.9527 65.7421 31.5456 177.3910 11 D 4.4220 8.2589 119.1117 57.7945 40.7176 178.5349 12 H 4.3443 8.0302 118.3563 59.1845 29.9116 176.8751 13 L 3.8947 7.6406 121.9340 58.4529 41.7877 179.0885 14 F 4.6356 8.0931 117.5300 60.6228 38.5720 177.4372 15 E 3.9532 8.4579 117.7087 59.2603 29.5550 179.0181 16 A 3.9236 7.7597 120.1573 55.2318 18.4754 179.6694 17 I 3.3081 7.6382 118.2464 64.5128 36.9910 178.6873 18 L 4.0963 8.0016 118.7164 56.9797 41.4776 178.2248 19 C 4.3561 7.4217 112.4841 57.5273 30.4424 173.7587 20 L 4.2749 7.1083 122.1238 54.9232 41.7206 176.9403 21 K 4.4775 9.0025 121.4530 56.4141 33.9928 175.7716 22 N 4.8276 7.4792 115.5535 50.7889 41.0149 175.2312 23 K 4.0479 8.5530 119.4002 59.5806 32.0714 179.3321 24 E 4.1453 8.3554 118.4450 59.7295 29.3817 179.2025 25 E 4.0928 9.2736 118.8268 59.4666 29.4053 179.1744 26 C 4.3805 8.2205 116.9050 63.0512 28.1817 175.6939 27 Y 4.1316 8.3880 118.4548 61.6048 37.1738 178.2964 28 T 3.9358 8.2455 116.4382 67.1555 68.6165 176.1673 29 F 4.0673 8.6484 121.8111 61.5913 39.5624 177.5661 30 F 4.0290 8.5703 117.6815 60.2562 38.4108 177.3676 31 E 3.9915 8.3172 118.5957 59.1944 29.4526 178.3004 32 D 4.3972 7.4437 117.2147 57.0790 40.9604 178.3341 33 V 3.6512 7.1865 117.4812 63.6882 31.8437 175.6929 34 C 4.9391 7.3973 114.8989 57.9139 30.7311 173.9864 35 T 4.3523 8.5761 112.9617 60.8291 70.8207 176.1032 36 I 3.7114 8.1523 121.5858 64.8135 37.1586 178.4084 37 N 4.3394 8.1534 116.6423 56.3038 38.3608 177.2518 38 E 3.9677 8.3160 119.9668 59.3636 29.6264 179.1474 39 L 3.9340 7.9952 120.3613 58.1553 42.0811 179.0111 40 L 4.0669 8.3263 119.5521 57.6137 41.4104 179.6593 41 S 4.1671 8.2680 114.4804 61.2654 63.0692 176.5181 42 L 3.9789 7.9283 122.6834 57.6267 41.3695 179.4447 43 S 4.1266 8.1566 112.9717 61.3048 62.3009 175.7281 44 Q 3.9837 8.4548 122.6559 59.5668 28.8168 178.6950 45 R 4.0105 8.2964 119.0509 59.3323 30.0911 178.9123 46 F 4.3974 8.3815 120.3652 61.1829 39.2092 176.9688 47 E 3.8248 8.3441 118.2257 59.0695 29.5306 178.4263 48 V 3.5805 7.9170 117.4443 65.9907 31.7859 177.2715 49 A 3.8346 8.1375 120.5794 55.0192 18.1153 179.6126 50 K 3.2176 7.4507 113.8285 57.7967 32.0073 177.9963 *52 L 4.1964 7.7713 118.9035 55.0576 43.4240 179.2758 53 T 3.8215 7.8242 113.8159 66.4244 67.1143 174.7071 54 D 4.6299 8.0360 119.8036 53.3683 40.6997 176.6235 55 K 4.0454 7.7750 116.9554 57.3761 30.2095 175.8580 56 R 4.2385 7.1550 116.2122 55.7258 31.0186 177.7264 57 T 4.3039 8.1781 111.6657 61.6430 70.9885 175.2843 58 Y 3.9817 8.7999 119.6900 61.2313 37.9135 178.1790 59 L 4.0058 8.2123 120.5877 58.9191 42.0414 178.6936 60 D 4.4143 8.2471 118.2371 57.3449 40.6841 179.2555 61 I 3.6276 7.8920 120.3603 64.3949 37.0976 178.2440 62 S 4.3343 8.5355 117.7813 61.1437 62.5198 176.8136 63 E 3.8876 7.9283 119.3284 59.3409 29.2789 179.1815 64 K 4.1027 7.9279 118.7723 58.9974 32.4537 178.1355 65 T 4.4170 8.1805 107.6829 60.7114 69.9075 175.8131 66 G 3.8733 8.9408 109.8027 45.2021 0.0000 173.8462 67 A 4.0593 7.8911 124.1225 51.9108 19.1109 177.8078 68 S 4.4744 8.4000 116.9067 58.1890 65.3568 175.6191 69 T 3.9760 8.5340 118.7556 66.8636 68.1453 176.6251 70 A 4.0580 8.0001 122.1220 55.4071 18.4736 179.6356 71 T 3.8101 7.8335 113.9340 66.9126 68.4964 176.9506 72 I 3.5201 7.7830 121.6246 64.3820 36.9618 178.6711 73 S 4.2641 8.5242 116.3615 61.7129 62.6983 176.9238 74 R 3.9740 8.0503 120.6954 59.3330 29.8577 179.3000 75 V 3.6342 7.7981 117.9521 65.9331 31.5359 177.4034 76 N 4.2252 8.3261 117.0041 56.7518 38.7808 176.5041 77 R 4.0621 8.4255 120.3595 59.8440 30.1791 178.6119 78 S 4.2517 8.1470 114.6973 61.6702 62.6331 176.7070 79 L 4.0755 7.8509 120.5879 57.8691 41.4068 179.0711 80 N 4.2868 7.9436 115.4543 55.4411 38.5436 175.6169 81 Y 4.9227 7.7687 113.4597 57.3911 40.2638 176.7035 82 G 4.1210 7.8909 113.5953 45.9677 0.0000 174.6076 83 N 4.6507 8.7675 120.6104 52.5621 39.6501 174.4597 84 D 4.4750 8.0899 117.4355 55.2762 38.5567 176.4566 85 G 3.3554 8.2243 109.5684 48.8814 0.0000 175.5598 86 Y 3.8656 7.8391 117.7206 60.9143 38.0426 179.0777 87 E 4.0005 7.4046 116.9232 57.0666 29.6959 178.9176 *89 V 4.0744 7.9086 112.2500 61.0032 33.6728 177.7111 90 F 4.5177 8.3752 117.9265 61.1011 39.2545 176.7951 91 S 4.3848 8.5661 116.4116 62.0264 62.8753 179.3950 92 R 4.4845 7.4173 118.7569 56.0613 29.2715 178.8323 *94 K 4.2735 8.1855 121.0478 56.5374 33.9680 177.4822 95 E 4.1442 8.0615 117.1278 58.9019 29.7286 177.9509 96 K 4.0158 8.0871 119.3973 59.4709 32.4922 177.5482 97 E 4.0679 8.2067 118.0642 59.5309 29.8242 176.3785 98 T 4.0715 8.2080 118.7519 63.8610 68.3771 174.1631 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 5 I 8.02 4.07 1.89 0.00 0.00 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 1.42 1.35 0.96 0.00 0.00 6 R 7.77 4.13 0.00 1.94 1.90 0.00 3.40 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 7 T 8.39 4.74 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 1.24 0.00 0.00 8 E 8.56 4.10 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 2.39 2.39 0.00 9 E 8.16 4.02 0.00 1.96 1.96 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 2.30 2.43 0.00 10 V 7.56 3.31 1.89 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 0.36 0.00 0.00 0.81 0.00 0.00 11 D 8.26 4.42 0.00 2.90 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 12 H 8.03 4.34 0.00 3.33 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.64 3.89 0.00 1.74 1.58 1.07 0.93 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 14 F 8.09 4.64 0.00 3.26 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 15 E 8.46 3.95 0.00 2.06 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 2.38 2.64 0.00 16 A 7.76 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.64 3.31 2.08 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.12 1.02 0.00 0.00 18 L 8.00 4.10 0.00 1.73 1.70 0.94 1.04 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 19 C 7.42 4.36 0.00 3.09 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 20 L 7.11 4.27 0.00 1.69 1.63 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.00 4.48 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.41 7.81 22 N 7.48 4.83 0.00 2.98 2.92 0.00 0.00 6.27 6.48 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 23 K 8.55 4.05 0.00 1.92 2.10 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.57 7.81 24 E 8.36 4.15 0.00 2.21 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 2.47 2.39 0.00 25 E 9.27 4.09 0.00 2.12 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 2.57 0.00 26 C 8.22 4.38 0.00 3.18 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 27 Y 8.39 4.13 0.00 3.21 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 28 T 8.25 3.94 4.55 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 1.27 0.00 0.00 29 F 8.65 4.07 0.00 2.99 2.83 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 0.00 0.00 0.00 30 F 8.57 4.03 0.00 3.15 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 31 E 8.32 3.99 0.00 2.13 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 0.00 2.35 2.40 0.00 32 D 7.44 4.40 0.00 2.68 2.56 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 33 V 7.19 3.65 1.60 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 0.69 0.00 0.00 -0.06 0.00 0.00 34 C 7.40 4.94 0.00 3.13 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 35 T 8.58 4.35 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 1.21 0.00 0.00 36 I 8.15 3.71 1.89 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 1.67 0.69 0.93 0.00 0.00 37 N 8.15 4.34 0.00 2.74 2.88 0.00 0.00 7.08 7.66 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 38 E 8.32 3.97 0.00 2.19 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 2.34 2.32 0.00 39 L 8.00 3.93 0.00 1.78 1.67 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.33 4.07 0.00 1.73 1.72 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.27 4.17 0.00 4.08 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 0.00 42 L 7.93 3.98 0.00 1.83 1.71 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.16 4.13 0.00 3.95 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 44 Q 8.45 3.98 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 45 R 8.30 4.01 0.00 2.15 2.12 0.00 3.26 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.99 0.00 46 F 8.38 4.40 0.00 3.36 3.30 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 47 E 8.34 3.82 0.00 2.06 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 0.00 2.26 2.28 0.00 48 V 7.92 3.58 2.12 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 0.69 0.00 0.00 0.91 0.00 0.00 49 A 8.14 3.83 0.46 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 0.00 0.00 50 K 7.45 3.22 0.00 1.73 1.50 0.00 1.44 0.00 0.00 1.38 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.70 0.49 7.81 *52 L 7.77 4.20 0.00 1.79 1.65 0.75 0.57 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 53 T 7.82 3.82 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 1.20 0.00 0.00 54 D 8.04 4.63 0.00 2.63 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.05 0.00 1.84 1.86 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.43 7.81 56 R 7.16 4.24 0.00 1.84 1.82 0.00 3.30 0.00 0.00 3.35 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 57 T 8.18 4.30 4.30 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 1.23 0.00 0.00 58 Y 8.80 3.98 0.00 2.97 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 59 L 8.21 4.01 0.00 1.78 1.71 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.25 4.41 0.00 2.97 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 61 I 7.89 3.63 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.77 0.00 0.00 62 S 8.54 4.33 0.00 4.04 3.94 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 63 E 7.93 3.89 0.00 1.95 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 2.35 2.57 0.00 64 K 7.93 4.10 0.00 1.73 1.89 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.46 7.81 65 T 8.18 4.42 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 1.25 0.00 0.00 66 G 8.94 3.87 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 0.00 0.00 0.00 67 A 7.89 4.06 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 68 S 8.40 4.47 0.00 4.08 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 69 T 8.53 3.98 4.32 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 1.38 0.00 0.00 70 A 8.00 4.06 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 71 T 7.83 3.81 4.38 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 1.20 0.00 0.00 72 I 7.78 3.52 1.61 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.65 -0.24 0.00 0.00 73 S 8.52 4.26 0.00 4.10 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 74 R 8.05 3.97 0.00 2.13 2.03 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 75 V 7.80 3.63 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 0.83 0.00 0.00 0.95 0.00 0.00 76 N 8.33 4.23 0.00 2.99 3.03 0.00 0.00 6.86 8.12 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 77 R 8.43 4.06 0.00 2.14 2.26 0.00 3.24 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 78 S 8.15 4.25 0.00 4.31 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 0.00 79 L 7.85 4.08 0.00 1.75 1.70 0.80 0.79 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 80 N 7.94 4.29 0.00 2.22 1.44 0.00 0.00 6.85 6.74 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 81 Y 7.77 4.92 0.00 2.98 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 82 G 7.89 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 83 N 8.77 4.65 0.00 2.67 2.83 0.00 0.00 6.75 8.06 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 84 D 8.09 4.47 0.00 2.85 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 85 G 8.22 3.36 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 0.00 86 Y 7.84 3.87 0.00 2.81 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 0.00 0.00 0.00 0.00 87 E 7.40 4.00 0.00 2.10 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 2.33 2.36 0.00 *89 V 7.91 4.07 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 0.72 0.00 0.00 1.06 0.00 0.00 90 F 8.38 4.52 0.00 3.12 2.98 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 91 S 8.57 4.38 0.00 3.93 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 92 R 7.42 4.48 0.00 1.92 1.97 0.00 3.15 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 *94 K 8.19 4.27 0.00 1.95 2.00 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.47 7.81 95 E 8.06 4.14 0.00 2.16 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 2.36 2.26 0.00 96 K 8.09 4.02 0.00 1.91 1.87 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.40 7.81 97 E 8.21 4.07 0.00 1.96 2.15 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 2.30 2.40 0.00 98 T 8.21 4.07 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.