NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.7061 8.4045 120.2901 55.0189 33.3890 174.9843 6 R 4.2784 7.9656 124.3766 52.8347 31.7445 166.7735 7 V 3.7101 8.3870 122.7127 63.9293 32.5964 175.1709 8 G 4.0374 8.9898 115.6268 45.2645 0.0000 173.6572 9 E 4.1705 8.1460 121.3565 56.3965 30.6981 175.9177 10 R 5.4204 8.6809 124.5294 54.4683 33.2428 174.8793 11 F 5.1017 9.7988 124.5503 56.7346 42.9260 173.6165 12 T 4.8150 7.3252 120.6096 61.8366 71.5746 172.9541 13 H 4.4898 8.7656 124.4975 54.5596 33.0787 171.5589 14 D 5.2455 8.3585 125.0659 52.7174 43.5337 176.0404 15 F 4.5634 8.5321 124.4184 57.0196 42.8294 173.3174 16 V 3.8556 7.8042 127.3978 62.2818 32.2940 175.5355 17 V 3.3852 8.2496 129.4104 62.0612 32.4385 174.0346 18 P 4.7352 0.0000 0.0000 60.7672 32.7592 175.0559 19 P 4.2397 0.0000 0.0000 65.6321 31.2448 177.0226 20 H 4.1314 7.8707 111.7490 55.2841 28.6981 175.3263 21 K 3.7080 7.7297 118.1432 56.5759 32.3837 176.4717 22 T 5.3343 7.6496 109.4552 59.7858 70.6584 175.5419 23 V 3.3572 8.7191 121.6490 66.1192 31.2030 178.4236 24 R 4.0644 8.0700 115.1130 59.0322 29.4120 177.7842 25 H 4.6130 8.1531 114.6838 57.2425 29.3530 176.4704 26 L 3.7723 7.8754 120.9777 57.5260 42.1525 176.7765 27 Y 4.8286 7.3026 116.4017 53.7901 38.2661 173.9346 28 P 4.6224 0.0000 0.0000 64.3677 31.9877 177.6547 29 E 4.0751 8.3849 116.8528 57.6032 29.8294 175.8715 30 S 4.7972 7.9401 114.6701 55.5652 62.7013 172.4841 31 P 4.3669 0.0000 0.0000 65.3310 31.3482 178.9704 32 E 4.0267 7.9718 116.4435 58.4593 29.6068 177.4473 33 F 4.5997 7.8605 116.1820 57.4500 39.8428 177.5039 34 A 4.1160 7.8682 123.6252 54.6115 18.1679 178.0771 35 E 4.8033 8.1660 113.1921 56.1763 30.3776 176.2430 36 F 4.3812 8.4913 117.6907 56.3311 39.6062 173.7150 37 P 4.3799 0.0000 0.0000 63.4906 31.8148 177.4547 38 E 4.4834 8.5023 121.9628 55.4692 28.1550 176.0790 39 V 4.8335 7.3581 114.0153 58.6688 36.9226 175.0111 40 F 4.9731 9.2627 125.5834 59.2038 39.6047 175.1044 41 A 4.1520 8.9867 128.2981 52.0942 19.2499 178.4300 42 T 3.7561 8.7385 117.7292 66.7551 68.6183 177.3503 43 G 3.5236 7.7927 106.9947 47.7752 0.0000 175.6080 44 F 4.3561 7.5058 119.5252 60.2753 38.8675 177.2533 45 M 3.8617 7.4924 118.1303 58.5272 31.9314 178.2393 46 V 3.6017 8.1337 118.8149 66.1457 31.5533 178.1607 47 G 3.6099 8.0635 105.2258 47.6965 0.0000 175.3577 48 L 4.1977 8.3648 122.9738 58.2348 42.1550 178.9499 49 M 4.0377 8.3600 118.8906 58.3980 31.9258 178.4437 50 E 3.8284 8.3419 118.9311 59.2235 29.6045 179.1007 51 W 4.3077 8.4413 128.2090 60.5060 30.6442 177.6267 52 A 3.9205 8.0307 120.4507 55.5044 17.8590 179.3952 53 C 2.8909 7.6229 114.9656 62.4666 27.9109 176.4711 54 V 3.5301 8.0945 120.0617 66.0768 30.8655 178.2316 55 R 3.7726 7.8455 116.3247 59.2183 29.9626 178.5469 56 A 3.7190 7.2149 119.3865 54.8371 18.6221 178.8318 57 M 4.5287 8.1312 113.6757 56.4143 31.8648 178.1773 58 A 3.9967 7.6762 123.0026 55.0415 18.3988 177.4832 59 P 4.3259 0.0000 0.0000 64.2070 31.3929 176.5792 60 Y 4.6161 7.6984 114.6629 57.4710 38.3280 175.0963 61 L 4.6938 7.4330 120.0907 52.8672 43.4830 176.5861 62 E 4.1646 8.8115 122.6712 55.3069 30.1054 174.9122 63 P 4.3410 0.0000 0.0000 64.6398 31.9323 176.9965 64 G 3.9738 9.0837 110.0126 44.8096 0.0000 172.5746 65 E 5.0737 7.8200 118.6479 54.9005 32.0733 176.0137 66 G 4.1518 8.7057 107.9808 45.8008 0.0000 171.3283 67 S 5.2113 8.4584 114.3515 57.2210 66.4403 173.6238 68 L 4.7702 8.7978 119.8877 52.5766 45.6900 176.4775 69 G 4.1876 8.7955 110.1209 46.7126 0.0000 173.2952 70 T 4.8168 8.8710 112.8882 61.2395 70.7300 173.7832 71 A 4.6529 7.6111 121.9251 51.1770 22.6260 174.9438 72 I 4.9632 8.2851 120.1536 59.6469 41.4370 174.3456 73 C 4.6885 9.4946 129.4811 58.0741 33.7152 172.7512 74 V 5.1521 8.2251 117.8529 59.8387 35.8246 174.8973 75 T 4.5809 8.6664 112.5568 60.8138 71.7545 173.5286 76 H 5.1840 8.6772 121.5836 55.2620 31.2427 172.4206 77 T 4.6754 9.3089 115.2943 61.4832 69.9576 174.2750 78 A 4.6301 7.9529 123.1286 50.8745 22.2606 174.7472 79 A 4.8593 8.3664 121.3362 50.6850 21.5457 176.8796 80 T 4.6528 8.3928 116.8685 61.0067 72.0355 172.0824 81 P 4.9724 0.0000 0.0000 61.4064 33.1739 174.1961 82 P 4.3535 0.0000 0.0000 64.3742 31.7797 175.6750 83 G 4.0825 8.8256 111.1139 45.9826 0.0000 174.7240 84 L 4.2167 7.4244 118.0545 54.7254 43.4709 176.5330 85 T 4.5490 8.1662 117.9403 62.3220 70.3679 174.0278 86 V 4.2227 8.5843 128.2409 62.4240 33.0244 174.7117 87 T 4.7796 8.6602 125.9887 62.0265 70.4400 173.7775 88 V 4.6780 8.5833 127.7170 61.8478 33.5620 174.4908 89 T 4.9799 8.9768 125.0857 61.8846 70.7751 173.2464 90 A 5.3299 9.4844 128.8868 50.0919 21.8305 174.4237 91 E 5.2013 9.5232 124.4632 54.0752 32.6451 174.8214 92 L 3.3332 8.7143 130.1126 55.2321 42.4225 177.2390 93 R 4.4226 8.6557 125.8230 57.8633 31.7571 176.6840 94 S 4.4318 7.2055 110.3395 57.5611 66.2283 174.6507 95 V 4.6403 8.2581 122.9837 61.4085 32.3984 176.0786 96 E 4.4591 8.8789 130.1796 54.0376 30.2731 175.1515 97 G 3.8055 8.6613 117.3056 46.6308 0.0000 174.1336 98 R 4.1773 9.2119 127.5442 57.4557 31.0523 178.6317 99 R 5.2241 7.7685 117.4292 55.7975 32.2669 180.4768 100 L 5.1253 9.0297 124.4286 51.8932 45.3002 175.4622 101 S 5.2069 8.6716 117.3978 56.2595 65.4999 172.6038 102 W 5.1892 9.3455 126.5281 54.7983 32.7994 174.4398 103 R 4.8093 9.2591 125.0389 55.9206 30.8797 175.3687 104 V 5.1838 9.1201 120.3885 59.7755 34.7316 174.9759 105 S 5.2430 9.0314 117.5019 57.0950 66.9315 172.6613 106 A 5.4191 9.1270 122.2153 50.9654 22.8150 174.8180 107 H 5.2909 9.0566 115.3749 54.0056 32.4193 173.5281 108 D 5.4127 8.4970 118.6941 52.4013 39.4196 177.3018 109 G 4.0836 8.8143 109.8684 45.7186 0.0000 174.6963 110 V 4.1866 8.0230 116.5427 63.8561 33.2551 175.1935 111 D 4.9871 8.4931 118.3421 51.8432 44.4802 174.9901 112 E 4.3570 8.8338 121.8273 56.9063 30.0918 176.9436 113 I 4.4542 9.2636 116.2819 59.9482 39.9700 175.5691 114 G 4.7437 7.8888 113.1675 46.4526 0.0000 171.3468 115 S 5.0836 7.1233 114.1462 56.6537 66.7596 174.9532 116 G 4.2283 7.6645 107.6300 46.5637 0.0000 171.5199 117 T 5.2987 8.4082 113.1922 60.2714 72.6468 173.2263 118 H 5.4020 9.3121 122.3189 54.9053 33.6407 171.6373 119 E 5.2785 8.9780 124.9637 54.8157 32.1828 175.2706 120 R 5.1812 9.2986 121.4480 54.3297 35.0221 174.0405 121 A 5.1587 8.8010 122.7093 49.8844 21.9253 175.9345 122 V 4.1837 8.9900 124.2200 62.9944 32.2810 175.3335 123 I 4.7209 8.8526 122.8652 59.9453 41.6512 174.7001 *124 H 4.8300 8.6025 121.9149 54.2170 28.5236 176.9724 125 L 4.0181 8.7657 125.9545 57.1518 41.0573 179.5952 126 E 4.0876 8.1492 117.7598 58.6885 29.7589 178.8824 127 K 3.9605 8.0091 119.4027 59.4175 32.3764 178.4818 128 F 4.0802 8.5541 121.1311 61.5308 39.5183 176.7329 129 N 4.3063 8.5800 115.9500 56.2441 36.6735 177.3450 130 A 3.9357 7.6777 121.5761 54.9446 18.4063 179.0935 131 K 3.6198 7.5856 114.7260 57.6835 32.8190 178.2346 132 V 3.7993 7.3582 118.6211 64.1993 31.7830 178.1627 133 R 4.1009 7.8577 118.8584 57.7840 29.8376 177.5805 134 Q 4.1886 7.2177 115.8401 57.9279 29.2875 176.8846 135 K 4.2036 7.7989 114.6264 57.1492 32.8318 176.7769 136 T 3.9806 7.4483 118.2208 62.9528 68.7253 172.8077 137 P 4.4090 0.0000 0.0000 63.0015 31.4907 176.1036 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 M 8.40 3.71 0.00 1.57 1.24 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 1.08 2.06 0.00 6 R 7.97 4.28 0.00 1.83 1.76 0.00 3.34 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.00 7 V 8.39 3.71 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 0.90 0.00 0.00 0.81 0.00 0.00 8 G 8.99 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 9 E 8.15 4.17 0.00 2.11 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 2.43 2.37 0.00 10 R 8.68 5.42 0.00 1.77 1.87 0.00 3.24 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 11 F 9.80 5.10 0.00 3.12 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 12 T 7.33 4.82 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 1.03 0.00 0.00 13 H 8.77 4.49 0.00 3.07 2.93 0.00 5.74 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.36 5.25 0.00 2.43 2.41 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 0.00 15 F 8.53 4.56 0.00 2.82 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 16 V 7.80 3.86 1.75 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 0.61 0.00 0.00 0.76 0.00 0.00 17 V 8.25 3.39 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 0.60 0.00 0.00 0.21 0.00 0.00 18 P 0.00 4.74 0.00 2.04 1.98 0.00 3.61 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 19 P 0.00 4.24 0.00 2.06 2.18 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.87 4.13 0.00 3.07 3.22 0.00 5.68 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.73 3.71 0.00 1.89 1.80 0.00 0.61 0.00 0.00 0.76 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.08 1.61 7.81 22 T 7.65 5.33 4.43 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 1.35 0.00 0.00 23 V 8.72 3.36 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 0.18 0.00 0.00 1.09 0.00 0.00 24 R 8.07 4.06 0.00 2.06 2.45 0.00 3.23 0.00 0.00 3.57 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.56 0.00 25 H 8.15 4.61 0.00 3.57 3.57 0.00 5.66 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 26 L 7.88 3.77 0.00 1.12 1.52 -0.36 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.30 4.83 0.00 3.22 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 28 P 0.00 4.62 0.00 2.07 2.15 0.00 3.71 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 2.05 2.11 0.00 29 E 8.38 4.08 0.00 2.27 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 2.49 2.42 0.00 30 S 7.94 4.80 0.00 3.97 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 31 P 0.00 4.37 0.00 2.12 2.09 0.00 3.86 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 32 E 7.97 4.03 0.00 1.43 1.74 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 2.16 2.30 0.00 33 F 7.86 4.60 0.00 3.02 2.71 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 34 A 7.87 4.12 1.38 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 0.00 0.00 0.00 35 E 8.17 4.80 0.00 2.03 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 2.27 2.28 0.00 36 F 8.49 4.38 0.00 3.20 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 37 P 0.00 4.38 0.00 2.10 2.04 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 38 E 8.50 4.48 0.00 2.01 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 0.00 2.38 2.33 0.00 39 V 7.36 4.83 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 0.91 0.00 0.00 1.03 0.00 0.00 40 F 9.26 4.97 0.00 3.03 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 41 A 8.99 4.15 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 42 T 8.74 3.76 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 1.18 0.00 0.00 43 G 7.79 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.51 4.36 0.00 2.77 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 45 M 7.49 3.86 0.00 1.93 1.63 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 46 V 8.13 3.60 2.13 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 0.97 0.00 0.00 0.89 0.00 0.00 47 G 8.06 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.36 4.20 0.00 2.05 2.03 0.75 1.38 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 49 M 8.36 4.04 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 50 E 8.34 3.83 0.00 2.14 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 2.12 2.32 0.00 51 W 8.44 4.31 0.00 3.40 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 52 A 8.03 3.92 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 53 C 7.62 2.89 0.00 2.77 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 0.00 0.00 0.00 54 V 8.09 3.53 2.25 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 1.04 0.00 0.00 0.95 0.00 0.00 55 R 7.85 3.77 0.00 1.50 1.55 0.00 2.82 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 56 A 7.21 3.72 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.13 4.53 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.88 0.00 58 A 7.68 4.00 1.38 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 0.00 0.00 0.00 59 P 0.00 4.33 0.00 1.32 1.84 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 60 Y 7.70 4.62 0.00 3.12 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 61 L 7.43 4.69 0.00 1.75 1.60 0.98 1.15 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 62 E 8.81 4.16 0.00 2.14 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 2.43 2.44 0.00 63 P 0.00 4.34 0.00 2.04 2.01 0.00 3.70 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 2.03 2.10 0.00 64 G 9.08 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 0.00 0.00 0.00 65 E 7.82 5.07 0.00 2.17 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 2.27 2.24 0.00 66 G 8.71 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 0.00 0.00 0.00 0.00 67 S 8.46 5.21 0.00 3.91 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 68 L 8.80 4.77 0.00 1.40 1.43 0.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.80 4.19 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 0.00 70 T 8.87 4.82 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 1.27 0.00 0.00 71 A 7.61 4.65 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 72 I 8.29 4.96 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.92 0.00 0.00 73 C 9.49 4.69 0.00 2.99 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 74 V 8.23 5.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.92 0.00 0.00 75 T 8.67 4.58 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 1.24 0.00 0.00 76 H 8.68 5.18 0.00 3.10 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.31 4.68 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 1.25 0.00 0.00 78 A 7.95 4.63 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 79 A 8.37 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.39 4.65 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 81 P 0.00 4.97 0.00 2.11 2.19 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.35 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 G 8.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.42 4.22 0.00 1.65 1.65 0.95 0.60 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 85 T 8.17 4.55 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 1.09 0.00 0.00 86 V 8.58 4.22 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 1.01 0.00 0.00 0.64 0.00 0.00 87 T 8.66 4.78 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 1.18 0.00 0.00 88 V 8.58 4.68 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 1.01 0.00 0.00 0.98 0.00 0.00 89 T 8.98 4.98 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 1.25 0.00 0.00 90 A 9.48 5.33 1.14 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 91 E 9.52 5.20 0.00 2.11 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 0.00 2.20 2.38 0.00 92 L 8.71 3.33 0.00 0.77 1.10 -0.29 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.66 4.42 0.00 1.76 1.89 0.00 3.41 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 94 S 7.21 4.43 0.00 3.77 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 0.00 95 V 8.26 4.64 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 0.71 0.00 0.00 0.71 0.00 0.00 96 E 8.88 4.46 0.00 2.00 1.76 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 2.19 2.11 0.00 97 G 8.66 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.21 4.18 0.00 1.75 1.93 0.00 3.21 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.19 0.00 99 R 7.77 5.22 0.00 1.47 1.81 0.00 3.15 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 100 L 9.03 5.13 0.00 1.68 1.46 0.95 0.45 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 0.00 101 S 8.67 5.21 0.00 3.84 3.58 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 0.00 102 W 9.35 5.19 0.00 3.38 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 0.00 103 R 9.26 4.81 0.00 1.91 1.88 0.00 3.08 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 104 V 9.12 5.18 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 0.79 0.00 0.00 1.01 0.00 0.00 105 S 9.03 5.24 0.00 3.89 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 0.00 106 A 9.13 5.42 1.27 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 0.00 107 H 9.06 5.29 0.00 3.31 3.52 0.00 5.23 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.50 5.41 0.00 2.72 2.76 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 0.00 109 G 8.81 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.02 4.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 111 D 8.49 4.99 0.00 2.71 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.83 4.36 0.00 1.99 1.94 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 2.33 2.27 0.00 113 I 9.26 4.45 2.05 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 1.27 1.19 1.04 0.00 0.00 114 G 7.89 4.74 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 0.00 0.00 0.00 115 S 7.12 5.08 0.00 4.01 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 0.00 116 G 7.66 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 0.00 0.00 0.00 0.00 117 T 8.41 5.30 4.31 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 1.26 0.00 0.00 118 H 9.31 5.40 0.00 3.23 3.22 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.98 5.28 0.00 2.02 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 2.24 2.31 0.00 120 R 9.30 5.18 0.00 1.76 1.78 0.00 3.04 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 121 A 8.80 5.16 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 0.00 122 V 8.99 4.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.96 0.00 0.00 123 I 8.85 4.72 1.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.99 0.78 0.00 0.00 *124 H 8.60 4.83 0.00 2.62 3.01 0.00 7.20 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.77 4.02 0.00 1.83 1.80 0.94 0.79 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 0.00 126 E 8.15 4.09 0.00 2.08 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 2.41 2.44 0.00 127 K 8.01 3.96 0.00 1.86 2.04 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.52 7.81 128 F 8.55 4.08 0.00 3.25 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.58 4.31 0.00 2.81 2.88 0.00 0.00 6.98 7.74 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 0.00 130 A 7.68 3.94 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 0.00 131 K 7.59 3.62 0.00 1.71 1.64 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.38 7.81 132 V 7.36 3.80 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 0.64 0.00 0.00 0.84 0.00 0.00 133 R 7.86 4.10 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 134 Q 7.22 4.19 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 135 K 7.80 4.20 0.00 1.86 1.92 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.42 7.81 136 T 7.45 3.98 4.39 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 1.20 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.02 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.