NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8685 8.3393 109.7269 45.8671 0.0000 174.7502 2 S 4.2936 7.9329 117.6751 55.4916 62.3920 172.9002 *3 Q 4.6494 7.5140 120.3581 56.1283 34.5548 177.1527 4 L 3.7369 8.3041 117.3691 60.8817 42.6809 179.5442 5 R 4.2249 7.3420 116.2821 54.1745 27.9285 176.7878 6 G 4.1506 7.2317 108.3165 46.4603 0.0000 172.8091 7 E 3.3695 7.5026 120.0429 55.8007 29.8053 176.0811 8 P 3.9067 0.0000 0.0000 65.3504 31.2647 177.6023 9 W 4.4934 6.9672 113.5754 56.5410 28.8496 175.0582 10 F 4.9055 8.0858 123.1836 57.6051 38.8004 174.5319 11 H 4.5722 8.4154 126.7697 55.4264 29.5664 177.6257 12 G 3.6999 5.7887 109.0184 46.1903 0.0000 175.1109 13 K 4.5535 8.3963 113.5084 55.9474 29.9845 175.2563 14 L 4.3013 7.4101 122.0656 53.6414 43.7138 176.9821 15 S 4.2962 8.2311 118.5492 57.8604 64.1297 175.0574 16 R 3.8249 8.4266 126.5749 59.9234 29.9565 178.8681 17 R 4.0843 7.9090 117.1520 59.0700 30.0109 178.7123 18 E 3.9616 8.1807 117.7134 59.5590 29.1669 178.8129 19 A 3.6019 7.9002 120.6098 55.4894 18.4067 179.3403 20 E 4.0363 8.0259 115.7491 58.6190 29.9056 177.8685 21 A 4.4424 8.6026 121.7085 52.0307 18.4339 177.5218 22 L 4.6919 7.4912 114.7065 55.1166 43.4046 176.4857 23 L 4.6624 7.4290 119.0392 53.5000 42.8519 175.4467 24 Q 4.4418 9.7543 124.0622 56.8312 30.9290 175.4888 25 L 4.8544 7.6117 116.1513 52.2571 44.7046 175.7311 26 N 4.5321 8.5453 118.6967 55.0851 39.1877 175.8467 27 G 4.4444 9.4206 108.7882 45.1854 0.0000 172.8394 28 D 5.1712 7.9094 121.2020 54.0192 41.8600 175.5949 29 F 6.1305 8.7570 117.6425 54.2212 42.2225 173.6243 30 L 4.8301 8.2505 115.8832 55.1784 43.0861 173.3494 31 V 5.1008 8.6645 122.0700 61.5877 34.2758 174.4872 32 R 4.7281 8.5844 121.4606 54.9297 33.5328 172.8614 33 E 5.3590 8.6976 120.8382 55.5753 31.4400 175.4366 34 S 3.8042 8.9859 119.8132 57.2706 62.5354 173.9636 35 T 4.2714 8.5020 123.9622 65.6115 69.9157 175.8518 36 T 4.0763 7.9967 116.8304 66.7993 68.5582 175.0569 37 T 4.5618 7.8730 107.5267 61.1727 69.6541 169.4586 38 P 4.3289 0.0000 0.0000 63.6381 32.0198 173.3999 39 G 4.1017 8.1317 114.6459 44.7355 0.0000 175.8194 40 Q 4.1646 8.0921 123.0005 54.5571 33.0234 175.1150 41 Y 5.6571 8.1833 114.5710 56.9414 41.8705 174.9332 42 V 5.0018 9.0510 120.6631 61.1481 35.6814 173.8627 43 L 4.9607 9.1139 128.4001 53.7287 44.2110 174.9668 44 T 5.0227 8.6706 123.2265 61.8606 71.3953 173.7043 45 G 4.9538 8.4778 110.8598 44.9304 0.0000 170.9243 46 L 5.0944 8.3475 121.8195 53.3671 44.5760 175.2350 47 Q 4.5092 8.6120 125.4020 56.1456 32.4694 174.3891 48 S 3.9536 9.6363 120.8391 58.7696 61.4542 170.0170 49 G 3.8796 10.0019 104.6845 45.3535 0.0000 173.7647 50 Q 4.5405 7.6534 115.6965 54.0996 31.9037 172.2967 51 P 5.2780 0.0000 0.0000 62.2503 31.9583 175.5915 52 K 4.6839 8.3853 119.5828 55.2296 36.5813 175.3273 53 H 4.9982 8.5872 118.2694 54.2408 30.7977 172.6861 54 L 4.3798 8.9236 123.5383 54.0595 43.0851 175.9861 55 L 4.9429 8.4058 123.9632 54.0439 44.1451 176.0251 56 L 4.7537 8.5624 122.6387 53.1926 44.6473 176.0482 57 V 4.5142 8.2042 123.9268 60.3648 35.0264 174.3614 58 D 4.8816 8.8232 126.7314 52.8308 38.7602 174.1518 59 P 4.3312 0.0000 0.0000 66.3835 31.8665 178.1598 *60 E 4.6728 7.9048 113.3288 55.0558 31.2235 177.9199 61 G 4.1843 8.2140 109.6765 46.4937 0.0000 172.6681 *62 V 4.0000 7.7541 117.4031 60.8340 32.1714 183.5371 63 V 4.9066 8.2115 124.4912 63.6771 35.1501 169.8159 64 R 5.3232 9.1876 125.1603 54.8391 32.3811 173.9085 65 T 4.6567 8.5731 107.8002 60.5457 70.9624 174.3033 66 K 4.2753 8.9042 124.7240 58.6253 32.1956 178.5374 67 D 4.5501 7.6826 112.0218 54.3932 43.8828 179.5311 68 H 4.6191 7.5902 118.7553 55.7678 33.7451 172.3750 69 R 4.5770 7.9147 120.4031 54.4950 31.4422 175.0606 70 F 4.6503 8.4966 123.1230 55.9557 41.2521 175.1746 71 E 4.2848 9.0397 117.5487 59.0869 30.1714 176.0084 72 S 4.6094 7.5287 110.7128 56.3866 65.3822 174.4860 73 V 3.6928 8.5793 119.1403 66.1730 30.9923 178.1371 74 S 4.4542 8.2578 114.5190 62.1425 62.8071 176.0569 75 H 4.2091 8.2910 120.3234 58.9887 29.5164 176.8569 76 L 2.4661 7.6233 122.0741 57.6649 41.9069 178.7984 77 I 3.3784 7.5820 120.0320 64.4801 37.0340 178.5865 78 S 4.2778 7.7567 114.8237 61.4516 62.6797 175.5506 79 Y 3.9662 7.7033 122.7020 60.8758 38.3494 178.1360 80 H 4.1842 7.8827 116.7869 59.4822 28.8124 176.7993 81 M 3.9087 8.2501 119.0232 58.3176 31.9774 177.3593 82 D 4.4240 8.1054 120.3619 57.9563 41.5071 179.0661 83 N 4.3269 7.3275 114.5347 54.3350 38.5550 175.0711 84 H 4.0708 7.9151 116.1543 56.7048 26.3944 174.3683 85 L 4.5760 7.7891 119.0128 52.4694 42.8567 174.7940 86 P 4.4725 0.0000 0.0000 62.4601 32.5039 176.1308 87 I 3.8725 8.3256 124.6226 61.5303 38.0573 174.8237 88 I 4.8426 8.3964 128.2618 59.6625 39.0652 175.5928 89 S 4.3756 9.0485 122.9789 57.5605 65.7499 174.1000 90 A 3.9110 9.6179 129.1191 53.2517 15.6284 178.2499 91 G 3.9870 8.5688 109.1443 46.6756 0.0000 174.3481 92 S 4.8447 7.5561 114.6383 57.0647 64.4040 172.7035 93 E 5.1501 8.5438 122.3004 54.6218 32.7487 174.2333 94 L 4.5548 9.1599 125.8977 53.3008 44.6572 175.1074 95 C 4.4161 8.5537 125.3952 59.0032 29.1993 173.4700 96 L 3.9449 8.2787 125.4054 54.4865 41.1436 176.3564 97 Q 4.7300 9.0540 121.9965 56.5516 32.3054 176.2213 98 Q 4.4737 8.5386 117.2502 53.7503 31.6367 173.0308 99 P 3.4492 0.0000 0.0000 61.9520 32.1977 177.1845 100 V 3.9428 8.5359 125.7668 61.4868 30.4625 175.0615 101 E 4.3677 8.4271 125.5349 55.7339 30.2564 176.7446 102 R 3.7766 8.7022 124.2541 56.3413 31.0285 176.6325 103 K 4.2300 8.5495 125.4749 56.1962 31.8991 177.0595 104 L 4.0328 8.1485 123.5912 56.2245 39.7615 174.8882 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 1 G 8.34 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 2 S 7.93 4.29 0.00 4.05 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 *3 Q 7.51 4.65 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.03 1.69 0.00 4 L 8.30 3.74 0.00 1.57 1.43 0.94 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.34 4.22 0.00 1.87 1.75 0.00 3.36 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 6 G 7.23 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 7 E 7.50 3.37 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 1.99 1.77 0.00 8 P 0.00 3.91 0.00 2.55 2.25 0.00 3.22 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 9 W 6.97 4.49 0.00 3.51 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 10 F 8.09 4.91 0.00 2.76 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 11 H 8.42 4.57 0.00 2.94 3.16 0.00 5.88 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 12 G 5.79 3.70 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 0.00 0.00 0.00 13 K 8.40 4.55 0.00 1.80 1.82 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.60 7.81 14 L 7.41 4.30 0.00 1.49 1.48 0.95 0.91 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 15 S 8.23 4.30 0.00 3.97 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 16 R 8.43 3.82 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 17 R 7.91 4.08 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 18 E 8.18 3.96 0.00 1.99 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 2.40 2.37 0.00 19 A 7.90 3.60 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.03 4.04 0.00 2.20 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 2.54 0.00 21 A 8.60 4.44 1.30 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 0.00 0.00 22 L 7.49 4.69 0.00 1.78 1.64 0.97 0.86 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 23 L 7.43 4.66 0.00 1.76 1.60 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.75 4.44 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 25 L 7.61 4.85 0.00 1.72 1.52 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.55 4.53 0.00 2.72 2.78 0.00 0.00 7.04 7.65 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 27 G 9.42 4.44 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 0.00 28 D 7.91 5.17 0.00 2.80 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 29 F 8.76 6.13 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 30 L 8.25 4.83 0.00 1.62 1.70 0.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.66 5.10 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 1.41 0.00 0.00 1.09 0.00 0.00 32 R 8.58 4.73 0.00 1.86 1.84 0.00 2.94 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 33 E 8.70 5.36 0.00 2.57 2.14 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 2.42 2.61 0.00 34 S 8.99 3.80 0.00 3.92 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 35 T 8.50 4.27 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 36 T 8.00 4.08 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 1.21 0.00 0.00 37 T 7.87 4.56 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 1.22 0.00 0.00 38 P 0.00 4.33 0.00 2.12 2.06 0.00 3.78 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.39 0.00 39 G 8.13 4.10 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 0.00 0.00 0.00 40 Q 8.09 4.16 0.00 1.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 41 Y 8.18 5.66 0.00 3.08 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 42 V 9.05 5.00 2.19 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 1.09 0.00 0.00 1.01 0.00 0.00 43 L 9.11 4.96 0.00 1.67 1.49 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.67 5.02 4.27 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 1.15 0.00 0.00 45 G 8.48 4.95 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 46 L 8.35 5.09 0.00 1.77 1.52 0.91 0.51 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 47 Q 8.61 4.51 0.00 2.20 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.65 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 48 S 9.64 3.95 0.00 4.04 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 49 G 10.00 3.88 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 0.00 0.00 0.00 50 Q 7.65 4.54 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 51 P 0.00 5.28 0.00 1.93 1.96 0.00 3.68 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 52 K 8.39 4.68 0.00 1.58 1.63 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.34 7.81 53 H 8.59 5.00 0.00 2.98 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.92 4.38 0.00 1.57 1.58 0.90 0.27 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 55 L 8.41 4.94 0.00 1.65 1.57 0.95 0.91 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 56 L 8.56 4.75 0.00 1.72 1.67 1.03 0.85 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 57 V 8.20 4.51 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 1.02 0.00 0.00 0.93 0.00 0.00 58 D 8.82 4.88 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 59 P 0.00 4.33 0.00 2.15 2.18 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 *60 E 7.90 4.67 0.00 1.87 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 2.22 1.87 0.00 61 G 8.21 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 *62 V 7.75 4.00 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 0.71 0.00 0.00 0.93 0.00 0.00 63 V 8.21 4.91 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 1.07 0.00 0.00 1.06 0.00 0.00 64 R 9.19 5.32 0.00 1.84 1.84 0.00 3.04 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 65 T 8.57 4.66 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 1.28 0.00 0.00 66 K 8.90 4.28 0.00 1.75 1.87 0.00 1.95 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 D 7.68 4.55 0.00 2.72 2.44 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 68 H 7.59 4.62 0.00 2.86 2.35 0.00 5.68 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.91 4.58 0.00 1.65 1.73 0.00 2.96 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.42 0.00 70 F 8.50 4.65 0.00 3.03 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 71 E 9.04 4.28 0.00 2.08 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 0.00 2.37 2.46 0.00 72 S 7.53 4.61 0.00 3.89 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 73 V 8.58 3.69 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 1.27 0.00 0.00 1.13 0.00 0.00 74 S 8.26 4.45 0.00 4.04 4.10 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 75 H 8.29 4.21 0.00 3.38 3.54 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.62 2.47 0.00 1.48 1.64 0.55 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.58 3.38 1.68 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 -0.36 0.50 0.00 0.00 78 S 7.76 4.28 0.00 4.21 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 79 Y 7.70 3.97 0.00 2.96 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 80 H 7.88 4.18 0.00 3.06 3.29 0.00 5.87 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 81 M 8.25 3.91 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 82 D 8.11 4.42 0.00 2.71 2.68 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 0.00 0.00 0.00 83 N 7.33 4.33 0.00 2.86 2.63 0.00 0.00 7.25 8.04 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 84 H 7.92 4.07 0.00 3.25 3.44 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.79 4.58 0.00 1.66 1.65 0.69 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.47 0.00 2.07 2.05 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 87 I 8.33 3.87 1.75 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.33 0.83 0.00 0.00 88 I 8.40 4.84 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 1.35 0.72 0.95 0.00 0.00 89 S 9.05 4.38 0.00 3.75 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 90 A 9.62 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 91 G 8.57 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 92 S 7.56 4.84 0.00 3.90 3.89 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 93 E 8.54 5.15 0.00 1.94 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 2.16 2.27 0.00 94 L 9.16 4.55 0.00 1.67 1.50 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 95 C 8.55 4.42 0.00 2.92 2.86 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 96 L 8.28 3.94 0.00 1.21 0.45 0.16 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 9.05 4.73 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 98 Q 8.54 4.47 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 99 P 0.00 3.45 0.00 2.04 1.77 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.77 0.00 100 V 8.54 3.94 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 0.81 0.00 0.00 0.99 0.00 0.00 101 E 8.43 4.37 0.00 1.86 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 2.45 2.24 0.00 102 R 8.70 3.78 0.00 1.74 1.70 0.00 3.16 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.38 0.00 103 K 8.55 4.23 0.00 1.76 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.41 7.81 104 L 8.15 4.03 0.00 1.67 1.53 0.88 0.59 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 * Residues marked with a * may have inaccurate shift predictions.