NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3689 8.2649 122.4658 51.7516 19.9938 176.5896 3 E 4.2601 8.7408 121.6001 56.0213 31.3405 173.8943 4 T 5.1520 8.7332 118.0785 61.7671 72.0442 173.0723 5 K 4.4212 9.1776 127.8952 54.8165 34.1626 174.7146 6 I 5.0743 8.3687 128.3505 59.5314 39.7733 175.3675 7 V 4.4587 8.8470 126.6182 61.0925 34.8874 174.0754 8 V 5.3376 7.6255 126.8953 60.2838 34.0957 174.4955 9 G 4.1442 8.2252 113.0224 45.4842 0.0000 172.2300 10 P 4.9340 0.0000 0.0000 63.9799 31.9494 177.1756 11 Q 4.1214 7.8697 118.2229 54.9015 29.2106 174.2959 12 P 4.1150 0.0000 0.0000 62.8287 31.8784 175.8675 13 F 4.8839 7.6435 116.3072 55.3392 40.3470 175.3296 14 S 4.6405 8.2054 113.8294 55.8620 65.7533 174.7020 15 V 3.4140 8.5367 128.0644 65.8907 31.1944 178.3524 16 G 3.6548 8.0054 104.3537 47.5958 0.0000 174.9816 17 E 4.2139 7.7501 119.3276 58.9178 29.9750 178.4385 18 E 4.2416 7.9723 118.1868 58.6845 29.7062 178.3413 19 Y 4.0607 8.1912 119.8389 60.1417 38.6922 175.9297 20 P 4.3271 0.0000 0.0000 65.5212 31.7540 177.8357 21 W 4.2417 8.2719 126.2451 60.5150 30.4441 177.2307 22 L 3.7666 7.7520 118.0509 57.7043 41.4698 177.9685 23 A 4.3121 7.0644 116.9900 51.5357 19.1400 177.4019 24 E 3.8888 7.3963 121.4119 59.8681 30.2247 178.0367 25 R 4.0406 7.5097 118.3717 55.7877 30.6337 177.4109 26 D 4.4073 8.6801 123.1560 57.1217 41.1019 177.7395 27 E 4.0657 8.0317 116.1212 58.8807 29.9535 177.3512 28 D 4.5901 7.7497 121.5763 53.2161 39.1215 176.7923 29 G 3.8527 7.9814 106.9867 47.4079 0.0000 171.1225 30 A 4.8280 8.2791 123.1113 49.9468 22.1159 175.1499 31 V 4.6510 8.4267 121.9548 61.0156 34.2116 174.6272 32 V 4.3662 8.7103 128.5511 61.1072 33.8057 174.3528 33 T 5.0122 8.5039 116.8877 59.7641 71.8892 172.8281 34 F 4.8311 8.9686 125.2862 56.7096 42.6125 173.5632 35 T 4.9187 7.8648 122.0278 61.6317 70.9306 173.4808 36 G 4.2698 8.8546 113.6309 44.4417 0.0000 172.4966 37 K 5.2338 8.3781 121.3148 53.7267 36.1870 176.0692 38 V 3.7204 8.4546 122.7841 63.2675 32.1812 176.1390 39 R 4.5067 8.5890 126.8333 55.3367 31.3771 176.1347 40 N 4.1113 8.7423 118.2658 53.9415 38.8217 174.5938 *48 N 4.4027 8.5491 119.6894 52.6325 38.4231 173.7104 49 A 4.3761 7.9025 122.8915 50.1061 21.9251 175.4283 50 L 4.5300 7.9278 118.2827 54.4021 43.4809 176.2434 51 T 4.3152 7.9903 118.7540 61.8580 69.4123 173.2983 52 L 4.2070 8.2853 129.6884 54.4988 43.5121 175.2067 53 E 4.7670 8.6229 126.3006 54.3390 33.0029 173.9303 54 H 4.9985 8.5359 118.7806 53.9486 32.3717 173.3194 55 Y 4.3742 8.2604 116.3847 55.5136 37.1168 173.1304 56 P 4.2000 0.0000 0.0000 64.3437 32.1268 174.9945 57 G 4.3470 9.4848 113.2094 46.0006 0.0000 174.9327 58 M 4.2461 7.7563 116.5752 56.9681 31.8149 178.2405 59 T 3.9968 7.8042 110.7182 64.2368 69.1806 176.7087 60 E 3.9671 8.1485 121.1061 59.2386 29.5436 178.9750 61 K 3.9557 8.0127 118.9185 59.4701 32.2547 178.7267 62 A 4.0602 7.9767 120.7499 55.0971 18.2596 179.6600 63 L 4.0364 8.0401 117.3527 57.8844 41.6602 179.5740 64 A 4.0735 8.1726 120.8342 55.1133 18.2992 179.5871 65 E 3.9876 8.3395 117.3364 59.4154 29.5322 179.4884 66 I 3.8129 7.9785 120.0045 64.4500 37.2156 178.6490 67 V 3.7023 8.0661 119.0926 66.0749 31.4685 177.8097 68 D 4.3752 8.3756 118.8003 57.4166 40.1967 178.3726 69 E 3.8885 8.4075 119.5512 59.1496 29.5569 178.7710 70 A 3.7033 8.0330 121.0190 55.1164 18.2446 179.8495 71 R 4.1181 7.8363 115.7032 59.1784 30.1870 178.5248 72 N 4.4362 7.7914 114.7284 54.8790 38.6487 175.8608 73 R 3.9489 6.8420 117.1375 55.5324 31.8623 176.1724 74 W 5.1295 7.6443 116.3203 54.0244 32.9118 173.9347 75 P 4.5408 0.0000 0.0000 62.1771 29.5386 175.2750 76 L 4.9743 8.1337 125.0748 53.7468 44.8434 177.8712 77 G 4.2769 7.7243 107.9280 45.2775 0.0000 176.3044 78 R 4.6804 8.8441 124.9602 55.6967 31.1055 174.9484 79 V 4.8812 8.3887 120.7569 61.6684 35.7761 173.8950 80 T 5.1964 9.1438 123.0655 61.8488 72.5753 172.9751 81 V 4.8441 9.2577 126.0983 61.2573 34.6113 174.0474 82 I 5.0998 8.8733 129.2198 59.7245 40.3387 174.1619 83 H 5.2934 9.2155 126.5619 54.3206 32.5258 173.0362 84 R 5.4432 9.5100 125.7025 56.0597 31.0438 176.1073 85 I 4.4561 7.7664 113.8049 60.3954 41.7637 174.2808 86 G 3.8499 8.5837 110.1716 44.8070 0.0000 171.4118 87 E 4.4547 8.3861 119.9770 56.0359 30.4617 177.3268 88 L 4.9217 8.2820 125.2437 52.9138 46.5887 175.3163 89 W 5.1248 9.3593 121.2122 53.7723 33.2451 173.4126 90 P 4.4828 0.0000 0.0000 64.8750 31.1308 176.5592 91 G 4.0643 8.7353 111.3697 45.4846 0.0000 173.8723 92 D 4.4020 8.1605 120.3467 54.0937 41.3501 175.3043 93 E 4.5885 8.4478 123.5693 55.9907 30.1767 176.2626 94 I 4.6867 8.8811 117.1997 60.7294 40.6074 175.7609 95 V 5.0080 7.8991 122.0218 59.9195 34.9547 173.9450 96 F 5.2625 9.0812 125.8723 56.3103 42.6302 173.4595 97 V 4.4880 8.5190 125.9419 60.9202 34.3145 174.1226 98 G 4.2474 9.0197 115.5576 44.2642 0.0000 171.8842 99 V 4.9192 8.8373 124.5923 61.1985 35.2018 174.1876 100 T 5.1235 8.2022 116.6222 60.4042 72.2256 172.6357 101 S 4.8476 8.5478 115.4097 57.3690 65.8831 175.4520 102 A 4.0488 8.8437 126.5110 54.0841 18.8151 177.6730 103 H 4.9379 8.1293 116.2272 53.8797 32.3668 174.1519 104 R 3.8240 8.5559 128.2247 59.8276 30.0477 178.2520 105 S 4.1541 7.7303 112.1897 61.5424 62.2574 176.1883 106 S 3.8941 7.8743 117.1522 61.2928 62.6932 176.1784 107 A 3.7983 7.7354 123.1801 55.2755 18.1285 179.7838 108 F 4.0254 7.9386 115.9720 60.5372 38.8456 177.9500 109 E 3.7284 7.9853 118.0543 59.2132 29.2013 179.1711 110 A 3.0932 7.1345 121.1942 54.5613 18.3461 179.8250 111 G 3.5027 7.7963 104.1881 48.2110 0.0000 175.9993 112 Q 3.9480 7.9319 120.7903 58.2942 28.6969 178.5606 113 F 4.1789 8.4145 122.0044 61.4016 39.5168 177.2848 114 I 3.8149 8.3226 119.8343 64.7284 36.9119 178.3836 115 M 4.0344 7.9446 119.4324 58.4370 31.2287 178.5154 116 D 4.2887 8.3178 119.2901 57.6866 40.9240 178.4628 117 Y 3.8546 8.1163 117.2218 60.2830 37.7949 177.9892 118 L 4.1263 8.1263 121.1670 58.7648 40.5027 179.5145 119 K 4.0868 8.0825 118.7673 58.5777 31.9931 178.4536 120 T 4.3491 7.4349 107.9036 62.3001 69.8604 175.6054 121 R 4.4015 8.0761 118.2134 56.0219 32.3871 176.0277 122 A 4.1356 7.7974 121.7309 51.0818 18.5405 175.1081 123 P 4.6221 0.0000 0.0000 62.5912 31.9407 175.4100 124 F 5.2887 8.9158 120.9138 55.3574 43.4109 173.8822 125 W 5.4293 8.8169 115.4964 55.3395 31.4393 174.6693 126 K 5.0000 8.7895 121.4587 55.5173 33.8865 176.6283 127 R 4.3066 8.1952 116.9976 57.0559 29.5976 174.7696 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 4.37 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 3 E 8.74 4.26 0.00 2.43 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 0.00 2.52 2.55 0.00 4 T 8.73 5.15 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 1.28 0.00 0.00 5 K 9.18 4.42 0.00 1.35 1.63 0.00 0.90 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 1.18 7.81 6 I 8.37 5.07 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.96 0.00 0.00 7 V 8.85 4.46 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 1.03 0.00 0.00 0.89 0.00 0.00 8 V 7.63 5.34 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 0.73 0.00 0.00 1.03 0.00 0.00 9 G 8.23 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 10 P 0.00 4.93 0.00 2.18 2.17 0.00 3.38 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 11 Q 7.87 4.12 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 12 P 0.00 4.12 0.00 1.95 1.84 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 13 F 7.64 4.88 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.64 0.00 3.83 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 15 V 8.54 3.41 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 1.09 0.00 0.00 0.99 0.00 0.00 16 G 8.01 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 0.00 0.00 0.00 17 E 7.75 4.21 0.00 2.13 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 2.35 0.00 18 E 7.97 4.24 0.00 1.53 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 2.29 1.97 0.00 19 Y 8.19 4.06 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 20 P 0.00 4.33 0.00 2.17 2.22 0.00 3.89 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 21 W 8.27 4.24 0.00 3.40 3.25 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 22 L 7.75 3.77 0.00 1.95 1.76 0.97 1.03 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 23 A 7.06 4.31 0.73 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 0.00 0.00 24 E 7.40 3.89 0.00 1.94 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 2.22 2.22 0.00 25 R 7.51 4.04 0.00 1.91 1.73 0.00 3.19 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 26 D 8.68 4.41 0.00 2.61 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 27 E 8.03 4.07 0.00 2.04 2.05 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 2.21 2.23 0.00 28 D 7.75 4.59 0.00 2.80 2.55 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 0.00 29 G 7.98 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 0.00 0.00 0.00 30 A 8.28 4.83 1.16 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 0.00 0.00 31 V 8.43 4.65 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 0.72 0.00 0.00 0.84 0.00 0.00 32 V 8.71 4.37 1.77 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 0.79 0.00 0.00 -0.04 0.00 0.00 33 T 8.50 5.01 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 1.46 0.00 0.00 34 F 8.97 4.83 0.00 3.07 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 7.86 4.92 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 1.53 0.00 0.00 36 G 8.85 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 37 K 8.38 5.23 0.00 1.61 1.69 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.37 7.81 38 V 8.45 3.72 2.27 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 0.95 0.00 0.00 0.90 0.00 0.00 39 R 8.59 4.51 0.00 1.75 1.86 0.00 3.47 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 40 N 8.74 4.11 0.00 2.72 2.82 0.00 0.00 6.92 8.00 0.00 0.00 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 N 8.55 4.40 0.00 2.81 2.88 0.00 0.00 6.13 7.26 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 49 A 7.90 4.38 -0.15 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 50 L 7.93 4.53 0.00 1.61 1.63 0.83 0.76 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 51 T 7.99 4.32 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 1.05 0.00 0.00 52 L 8.29 4.21 0.00 1.65 1.43 0.60 0.63 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 53 E 8.62 4.77 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 1.78 0.00 54 H 8.54 5.00 0.00 2.93 3.19 0.00 5.58 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.26 4.37 0.00 3.06 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 56 P 0.00 4.20 0.00 2.04 2.06 0.00 3.70 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 2.04 2.03 0.00 57 G 9.48 4.35 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 0.00 58 M 7.76 4.25 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 59 T 7.80 4.00 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 1.22 0.00 0.00 60 E 8.15 3.97 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 2.43 2.47 0.00 61 K 8.01 3.96 0.00 2.02 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.61 1.47 7.81 62 A 7.98 4.06 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 63 L 8.04 4.04 0.00 1.94 1.80 1.05 0.83 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 64 A 8.17 4.07 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 65 E 8.34 3.99 0.00 2.30 2.05 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 2.35 2.37 0.00 66 I 7.98 3.81 2.13 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 1.02 0.00 0.00 67 V 8.07 3.70 2.28 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 1.09 0.00 0.00 1.08 0.00 0.00 68 D 8.38 4.38 0.00 2.94 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 69 E 8.41 3.89 0.00 2.25 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 0.00 2.36 2.24 0.00 70 A 8.03 3.70 1.54 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 0.00 0.00 0.00 71 R 7.84 4.12 0.00 2.02 2.01 0.00 3.19 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 72 N 7.79 4.44 0.00 2.86 2.73 0.00 0.00 6.87 7.15 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 73 R 6.84 3.95 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.35 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.12 0.00 74 W 7.64 5.13 0.00 3.37 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 75 P 0.00 4.54 0.00 2.21 2.12 0.00 3.97 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 76 L 8.13 4.97 0.00 1.68 1.63 1.05 1.03 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 77 G 7.72 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 0.00 0.00 0.00 0.00 78 R 8.84 4.68 0.00 1.35 1.41 0.00 2.21 0.00 0.00 2.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.00 79 V 8.39 4.88 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 1.19 0.00 0.00 0.95 0.00 0.00 80 T 9.14 5.20 4.54 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 1.41 0.00 0.00 81 V 9.26 4.84 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 1.06 0.00 0.00 0.97 0.00 0.00 82 I 8.87 5.10 1.54 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.85 0.00 0.00 83 H 9.22 5.29 0.00 3.34 3.34 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.51 5.44 0.00 1.96 1.88 0.00 2.93 0.00 0.00 3.19 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.63 0.00 85 I 7.77 4.46 2.00 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 1.32 0.98 1.05 0.00 0.00 86 G 8.58 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 0.00 0.00 0.00 87 E 8.39 4.45 0.00 1.86 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 1.75 1.96 0.00 88 L 8.28 4.92 0.00 1.47 1.39 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 89 W 9.36 5.12 0.00 3.31 3.03 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 90 P 0.00 4.48 0.00 2.11 2.07 0.00 4.01 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 2.16 2.19 0.00 91 G 8.74 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.16 4.40 0.00 2.83 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 93 E 8.45 4.59 0.00 1.42 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 2.29 2.20 0.00 94 I 8.88 4.69 1.82 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 1.48 1.22 0.90 0.00 0.00 95 V 7.90 5.01 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 0.98 0.00 0.00 1.02 0.00 0.00 96 F 9.08 5.26 0.00 2.32 2.24 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 97 V 8.52 4.49 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 0.86 0.00 0.00 0.95 0.00 0.00 98 G 9.02 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 0.00 0.00 0.00 0.00 99 V 8.84 4.92 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 0.97 0.00 0.00 0.86 0.00 0.00 100 T 8.20 5.12 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 1.16 0.00 0.00 101 S 8.55 4.85 0.00 3.87 3.76 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 0.00 102 A 8.84 4.05 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 0.00 103 H 8.13 4.94 0.00 3.20 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.56 3.82 0.00 1.94 1.92 0.00 3.44 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 105 S 7.73 4.15 0.00 3.91 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 0.00 106 S 7.87 3.89 0.00 4.06 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 0.00 107 A 7.74 3.80 1.11 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 0.00 0.00 108 F 7.94 4.03 0.00 3.11 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 0.00 109 E 7.99 3.73 0.00 1.44 1.16 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 2.33 2.39 0.00 110 A 7.13 3.09 0.98 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 0.00 0.00 111 G 7.80 3.50 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 0.00 112 Q 7.93 3.95 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 113 F 8.41 4.18 0.00 3.37 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 0.00 114 I 8.32 3.81 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.12 0.97 0.00 0.00 115 M 7.94 4.03 0.00 1.74 1.87 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.57 0.00 116 D 8.32 4.29 0.00 2.82 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 0.00 117 Y 8.12 3.85 0.00 2.85 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.13 4.13 0.00 2.06 2.18 1.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.08 4.09 0.00 1.86 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.47 1.56 7.81 120 T 7.43 4.35 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 1.12 0.00 0.00 121 R 8.08 4.40 0.00 1.91 2.01 0.00 3.26 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 122 A 7.80 4.14 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 0.00 123 P 0.00 4.62 0.00 2.20 2.02 0.00 3.62 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 124 F 8.92 5.29 0.00 2.85 3.06 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 0.00 0.00 0.00 125 W 8.82 5.43 0.00 3.39 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 0.00 126 K 8.79 5.00 0.00 1.73 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.45 7.81 127 R 8.20 4.31 0.00 1.89 2.18 0.00 2.99 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.