NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.1915 8.0549 117.9084 60.3115 33.7324 175.5832 4 I 4.5647 7.9034 121.5690 58.2391 41.2636 173.0021 5 N 5.0227 8.5107 119.1013 51.8082 39.6722 173.6221 6 T 4.5929 7.5237 109.8987 60.3799 72.1283 175.3410 7 F 4.2086 8.4995 120.2670 61.0538 38.8798 177.7732 8 D 4.5063 8.3187 117.9043 57.3835 40.8869 178.5288 9 G 4.0501 7.8111 105.4046 48.0740 0.0000 175.7824 10 V 3.6213 8.2073 121.0124 65.2489 31.7636 177.8065 11 A 4.1104 8.6700 121.0163 55.6245 18.2161 179.3457 12 D 4.3243 9.1016 118.3373 57.6969 40.6568 178.4371 13 Y 4.0059 8.1051 119.6512 60.6553 38.7521 178.1535 14 L 4.1921 8.2422 119.9929 57.7943 41.5085 179.4158 15 Q 3.7422 7.6491 116.7554 59.1672 28.7223 178.9268 16 T 3.5695 7.4102 115.1714 66.3895 68.6911 176.0066 17 Y 4.0755 8.1266 116.3608 56.9918 38.7492 175.2691 18 H 3.1738 7.5400 116.6495 55.5541 26.9193 174.2759 19 K 4.5578 7.5065 113.8125 56.1202 34.7320 174.6153 20 L 4.1016 8.3844 119.9821 53.6098 42.0258 175.4375 21 P 3.5951 0.0000 0.0000 62.1091 31.7891 177.1301 22 D 4.3492 8.3502 119.2293 57.5190 40.8127 177.7886 23 N 4.4044 7.8850 114.2865 53.7380 37.8587 173.6528 24 Y 4.8546 7.2380 117.4656 57.0934 39.3484 175.0500 25 I 4.9466 8.8381 116.6577 59.1352 41.8830 175.1022 26 T 4.8047 8.6007 114.4149 60.7668 70.1484 175.4982 27 K 4.1002 9.1280 120.8670 59.5996 31.7934 179.9302 28 S 4.2310 8.1014 114.2318 61.5073 63.1911 176.2937 29 E 3.9819 8.0971 122.0814 59.0696 29.1242 179.1676 30 A 4.0713 8.2163 120.8881 55.1538 18.4771 179.7361 31 Q 4.2639 8.8034 116.8283 59.1557 28.5998 178.6701 32 A 4.0594 8.1925 120.9996 55.3059 18.5490 179.3295 33 L 4.2322 7.6869 114.7801 55.7868 41.6666 178.0590 34 G 4.1378 7.6740 107.9617 45.0259 0.0000 173.4377 35 W 4.4478 8.4731 130.5725 56.9320 31.0515 175.5923 36 V 3.7198 9.6121 126.9775 60.5315 32.4323 175.4082 37 A 3.6319 7.4548 131.1843 55.4301 18.0955 179.5153 38 S 4.4343 7.8931 109.4297 60.8603 62.9469 175.1562 39 K 4.2988 7.9674 118.0416 55.2750 32.8034 176.2127 40 G 2.9248 7.0723 107.8134 46.4887 0.0000 173.5080 41 N 4.8510 7.7185 111.4033 52.2717 38.6145 176.2467 42 L 3.9249 8.5037 121.8541 59.0110 41.6838 178.9276 43 A 4.0875 8.1548 117.8316 54.7766 18.3267 178.7650 44 D 4.4635 7.9622 117.1977 57.2529 41.1618 178.6927 45 V 4.0548 7.7846 110.4902 62.2641 33.4429 176.5834 46 A 4.6665 8.0918 121.2545 49.2378 19.2371 173.1652 47 P 4.2313 0.0000 0.0000 63.6886 32.2511 177.7469 48 G 3.8925 8.8559 110.0506 45.2927 0.0000 173.2549 49 K 4.6346 7.3413 118.8012 55.3698 33.6701 176.3477 50 S 4.6028 8.4992 118.5354 56.4754 67.3717 173.4094 51 I 4.2857 7.9179 123.2295 61.0502 38.1288 175.3714 52 G 4.1837 9.0016 112.5419 47.0603 0.0000 174.1234 53 G 4.7859 9.5124 109.3580 44.5966 0.0000 174.0168 54 D 4.8003 7.9350 119.5998 53.4353 42.7598 175.8021 55 I 4.2312 8.3139 122.3613 61.5954 37.8119 175.1107 56 F 4.7817 8.7228 130.1539 56.8375 39.6618 176.1207 57 S 3.8956 7.9501 122.6687 59.3427 62.7216 173.6984 58 N 3.8324 5.7840 117.0883 54.2832 37.0259 176.3508 59 R 3.8219 7.8517 117.0094 58.7047 30.3793 177.6265 60 E 4.3986 8.1656 114.7203 55.3124 29.5000 175.8739 61 G 3.9949 7.5052 105.3944 46.3031 0.0000 175.8594 62 K 4.0153 8.1415 119.9585 58.0014 32.4964 177.6190 63 L 3.8514 7.1747 117.4702 51.3136 43.3097 174.3750 64 P 4.1612 0.0000 0.0000 63.3748 31.5681 175.9957 65 G 4.2744 8.4813 112.1019 43.9565 0.0000 172.3788 66 K 4.5321 7.9823 121.3945 54.4858 35.2331 174.9844 67 S 4.1168 8.4267 119.7185 59.5903 62.8652 173.4022 68 G 4.0352 8.9069 115.5511 45.2573 0.0000 173.6198 69 R 4.0536 7.2186 120.4374 56.1050 30.6532 176.0866 70 T 4.7092 8.6305 116.0470 59.5705 72.5157 172.6599 71 W 5.0856 8.5560 121.5423 55.0567 32.6528 174.7664 72 R 5.1906 8.9524 122.2505 54.2243 33.9332 174.0795 73 E 5.4794 9.4083 118.1050 54.9014 33.5233 174.4194 74 A 5.0302 8.8811 120.5938 50.5438 23.0259 175.3161 75 D 5.0189 9.3346 120.9874 54.2021 42.0442 176.1640 76 I 4.4328 8.2844 122.2001 59.8983 40.8309 175.6149 77 N 4.1517 9.0311 119.8198 54.1304 36.9190 174.1175 78 Y 4.2233 7.4943 119.0910 57.7198 39.5611 175.2884 79 T 3.9440 7.1283 115.1885 62.2622 70.6577 173.9695 80 S 4.3047 6.3949 112.1488 58.3477 65.5303 175.9248 81 G 3.9004 8.6879 106.9139 44.5303 0.0000 173.2751 82 F 4.1843 8.6271 118.9793 57.1762 39.6818 175.4635 83 R 4.2332 8.6939 122.6414 56.5145 30.5906 176.9331 84 N 4.9109 8.5507 118.0915 52.3068 39.9445 175.1642 85 S 4.6523 8.5135 113.1682 58.5856 64.6913 172.8094 86 D 5.3186 8.1079 121.8865 54.1898 42.0108 175.7975 87 R 4.9330 9.2555 121.7037 54.5994 35.2634 173.7253 88 I 5.1800 8.8834 122.5646 59.5266 40.7561 174.2029 89 L 5.6099 9.3073 128.6865 53.1681 45.0259 175.0552 90 Y 5.6794 9.2206 122.3527 55.3709 41.5553 175.2193 91 S 4.9650 8.7053 117.5588 55.7973 65.0371 175.3847 92 S 3.5513 7.9090 114.8681 60.2848 62.7169 174.6293 93 D 4.5506 7.0797 119.2103 52.4274 39.4948 175.6589 94 W 3.8012 6.3038 116.4042 58.7769 27.1712 174.5991 95 L 4.6573 7.8045 117.4835 54.1026 42.1168 176.1868 96 I 5.5542 8.7635 121.9788 60.1737 40.7902 174.1618 97 Y 4.9755 9.9403 124.5695 56.0117 42.2605 174.5796 98 K 5.3720 9.3804 119.8965 55.6501 36.7951 174.8169 99 T 4.9557 8.9477 114.5064 60.5694 70.7613 174.0393 100 T 4.9692 8.7745 114.7555 60.1267 69.8158 173.3372 101 D 4.7792 7.6260 121.8103 53.7892 39.8048 174.9581 102 H 3.3284 8.5782 112.8692 58.7268 28.7976 173.6575 103 Y 3.2503 7.3147 109.4305 59.1273 35.6019 171.5707 104 Q 4.3092 7.7638 120.8160 58.0176 29.3371 176.4299 105 T 4.7914 7.7602 105.6041 59.9202 71.9107 173.5978 106 F 5.8064 8.8028 120.1706 55.1523 43.4253 174.4631 107 T 4.6890 8.4102 116.1677 61.4361 72.0676 173.4032 108 K 3.2605 8.7607 128.6350 56.2496 32.3982 176.2464 109 I 4.4737 9.2471 119.3431 60.6316 39.4530 175.8407 110 R 4.1742 7.5759 127.3948 56.9868 30.9720 174.4783 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 *3 V 8.05 4.19 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.90 4.56 1.75 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 1.39 0.87 0.98 0.00 0.00 5 N 8.51 5.02 0.00 2.74 2.84 0.00 0.00 5.92 7.22 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 6 T 7.52 4.59 4.28 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 1.21 0.00 0.00 7 F 8.50 4.21 0.00 3.12 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 D 8.32 4.51 0.00 2.84 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 9 G 7.81 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 10 V 8.21 3.62 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 0.86 0.00 0.00 1.06 0.00 0.00 11 A 8.67 4.11 1.50 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 0.00 0.00 12 D 9.10 4.32 0.00 2.90 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 13 Y 8.11 4.01 0.00 3.31 3.16 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 0.00 0.00 0.00 14 L 8.24 4.19 0.00 1.96 1.78 0.64 0.36 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 15 Q 7.65 3.74 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.76 0.00 16 T 7.41 3.57 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 0.24 0.00 0.00 17 Y 8.13 4.08 0.00 2.45 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 18 H 7.54 3.17 0.00 3.01 3.03 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.51 4.56 0.00 1.93 1.87 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.60 1.61 7.81 20 L 8.38 4.10 0.00 1.66 1.55 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.60 0.00 2.16 1.09 0.00 3.50 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.03 0.00 22 D 8.35 4.35 0.00 2.57 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 23 N 7.89 4.40 0.00 2.76 2.86 0.00 0.00 6.25 7.57 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 24 Y 7.24 4.85 0.00 3.15 2.99 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 25 I 8.84 4.95 1.85 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 1.26 0.62 0.89 0.00 0.00 26 T 8.60 4.80 4.59 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 1.31 0.00 0.00 27 K 9.13 4.10 0.00 1.98 2.17 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.75 1.52 7.81 28 S 8.10 4.23 0.00 4.10 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 29 E 8.10 3.98 0.00 2.03 2.06 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 0.00 2.36 2.36 0.00 30 A 8.22 4.07 1.19 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 0.00 0.00 0.00 31 Q 8.80 4.26 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.97 0.00 32 A 8.19 4.06 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 33 L 7.69 4.23 0.00 1.92 1.78 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.67 4.14 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 0.00 0.00 0.00 35 W 8.47 4.45 0.00 3.18 3.31 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 36 V 9.61 3.72 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 0.76 0.00 0.00 0.88 0.00 0.00 37 A 7.45 3.63 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.43 0.00 3.85 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 39 K 7.97 4.30 0.00 1.68 1.81 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.46 7.81 40 G 7.07 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 0.00 0.00 0.00 41 N 7.72 4.85 0.00 2.89 3.00 0.00 0.00 5.70 6.67 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 42 L 8.50 3.92 0.00 1.24 1.56 0.50 0.11 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 43 A 8.15 4.09 1.37 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 0.00 0.00 44 D 7.96 4.46 0.00 2.93 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 45 V 7.78 4.05 2.32 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 0.81 0.00 0.00 1.04 0.00 0.00 46 A 8.09 4.67 1.18 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 47 P 0.00 4.23 0.00 2.03 2.01 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 48 G 8.86 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 0.00 0.00 0.00 49 K 7.34 4.63 0.00 1.65 1.59 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.48 7.81 50 S 8.50 4.60 0.00 2.88 3.57 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 51 I 7.92 4.29 1.81 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 0.56 0.05 0.84 0.00 0.00 52 G 9.00 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 53 G 9.51 4.79 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 0.00 0.00 0.00 54 D 7.94 4.80 0.00 2.70 2.65 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 55 I 8.31 4.23 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.89 0.00 0.00 56 F 8.72 4.78 0.00 3.01 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 57 S 7.95 3.90 0.00 3.57 3.65 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 58 N 5.78 3.83 0.00 2.73 2.68 0.00 0.00 7.25 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 59 R 7.85 3.82 0.00 1.96 1.88 0.00 3.36 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 60 E 8.17 4.40 0.00 1.96 1.95 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 2.24 2.29 0.00 61 G 7.51 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 K 8.14 4.02 0.00 1.66 1.99 0.00 2.08 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.53 7.81 63 L 7.17 3.85 0.00 0.51 0.13 -0.48 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.16 0.00 2.29 2.16 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 65 G 8.48 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 0.00 0.00 0.00 0.00 66 K 7.98 4.53 0.00 1.76 1.57 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.41 7.81 67 S 8.43 4.12 0.00 3.85 3.73 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 68 G 8.91 4.04 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 0.00 0.00 0.00 69 R 7.22 4.05 0.00 1.60 1.89 0.00 3.25 0.00 0.00 2.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.09 0.00 70 T 8.63 4.71 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 1.13 0.00 0.00 71 W 8.56 5.09 0.00 3.53 3.17 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 0.00 0.00 0.00 0.00 72 R 8.95 5.19 0.00 0.67 1.38 0.00 3.00 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.00 73 E 9.41 5.48 0.00 2.11 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 0.00 2.49 2.36 0.00 74 A 8.88 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.33 5.02 0.00 2.63 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 76 I 8.28 4.43 1.12 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.99 -0.24 0.00 0.00 77 N 9.03 4.15 0.00 2.76 2.86 0.00 0.00 6.91 7.42 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 78 Y 7.49 4.22 0.00 3.07 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 79 T 7.13 3.94 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 1.07 0.00 0.00 80 S 6.39 4.30 0.00 3.86 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 81 G 8.69 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.63 4.18 0.00 3.23 3.17 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 0.00 0.00 0.00 0.00 83 R 8.69 4.23 0.00 1.96 1.91 0.00 3.07 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.74 0.00 84 N 8.55 4.91 0.00 2.87 2.96 0.00 0.00 5.91 7.64 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 85 S 8.51 4.65 0.00 4.01 4.17 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 0.00 0.00 0.00 0.00 86 D 8.11 5.32 0.00 2.72 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 87 R 9.26 4.93 0.00 1.55 1.77 0.00 3.31 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.86 0.00 88 I 8.88 5.18 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.93 0.98 0.00 0.00 89 L 9.31 5.61 0.00 1.72 1.49 1.04 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.22 5.68 0.00 3.11 3.22 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 91 S 8.71 4.97 0.00 2.96 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 92 S 7.91 3.55 0.00 3.69 3.72 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 93 D 7.08 4.55 0.00 2.69 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 94 W 6.30 3.80 0.00 3.64 3.48 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 95 L 7.80 4.66 0.00 1.93 2.00 1.27 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.76 5.55 2.02 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 1.20 0.00 0.00 97 Y 9.94 4.98 0.00 2.85 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 98 K 9.38 5.37 0.00 1.13 1.81 0.00 0.83 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.03 1.50 7.81 99 T 8.95 4.96 3.54 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 0.00 0.00 0.00 0.99 0.00 0.00 100 T 8.77 4.97 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 1.18 0.00 0.00 101 D 7.63 4.78 0.00 2.84 2.78 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 0.00 0.00 0.00 102 H 8.58 3.33 0.00 3.28 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.31 3.25 0.00 3.21 3.18 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 0.00 104 Q 7.76 4.31 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 105 T 7.76 4.79 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 1.19 0.00 0.00 106 F 8.80 5.81 0.00 2.86 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 0.00 107 T 8.41 4.69 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 1.16 0.00 0.00 108 K 8.76 3.26 0.00 0.90 1.42 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.13 0.88 7.81 109 I 9.25 4.47 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.86 0.00 0.00 110 R 7.58 4.17 0.00 1.92 1.95 0.00 3.46 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.