NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3052 8.3049 120.3483 54.6330 33.3418 174.5026 2 I 3.4471 8.3652 123.4517 60.1322 36.9857 174.8463 3 S 4.3008 8.9082 121.2734 58.7354 64.7103 174.6570 4 G 3.7816 7.2562 106.1957 45.4404 0.0000 170.6678 5 L 4.1466 7.9982 122.5336 54.8583 42.8946 177.3231 6 S 4.4494 8.5180 121.2446 59.6200 62.9142 173.0096 7 H 4.6923 6.9224 111.3814 55.1711 30.9381 172.2336 8 I 4.4680 8.1608 118.8827 59.7153 40.2205 174.9554 9 T 5.1094 8.4785 123.0300 61.7649 70.5877 173.7105 10 L 4.8684 9.0923 125.9167 52.9387 45.6261 175.3365 11 I 4.9916 8.4628 122.8883 59.9200 38.9945 175.4644 12 V 4.7319 8.8503 119.3834 59.5536 35.6349 176.8839 13 K 4.3960 9.7335 124.5051 58.0947 32.4523 176.9263 14 D 4.8860 7.7640 118.8559 51.8494 42.7491 175.5491 15 L 4.0826 10.2430 131.0570 58.2622 42.0608 178.5025 16 N 4.4217 8.2299 116.0390 56.2065 38.6814 177.4502 17 K 3.9760 8.3461 120.0462 59.6442 32.0569 179.6456 18 T 4.1949 8.1958 116.1495 66.9545 68.3056 176.8141 19 T 3.8993 8.3834 117.6878 66.7132 68.4230 176.4412 20 A 4.0589 7.9748 122.7130 55.0235 18.4373 179.4016 21 F 4.2745 8.3035 118.8231 61.5798 39.5452 177.3984 22 L 3.9095 8.4586 118.9401 57.8888 41.1496 179.5879 23 Q 4.1039 8.3229 118.1851 58.9971 28.4312 178.6340 24 N 4.3059 8.2053 116.6247 56.2329 38.6961 177.0840 25 I 3.7398 7.2484 119.3557 62.9687 37.6276 176.9110 26 F 4.3994 7.6114 114.6991 56.4051 39.2064 175.3405 27 N 4.4181 8.4033 115.7190 52.9568 35.9287 174.1291 28 A 4.3416 8.1752 118.9113 52.2536 19.4662 177.4848 29 E 4.6024 9.0208 123.6509 54.2907 31.4644 174.6491 30 E 4.2361 9.0265 129.4640 56.1464 29.9691 176.0863 31 I 4.5925 8.3756 118.7950 60.6576 39.2127 174.6535 32 Y 4.6225 7.5132 122.3728 57.0062 42.0447 172.8134 33 S 4.7780 7.1231 119.2248 57.0052 65.6848 172.9235 34 S 4.3847 9.2914 120.7020 56.8937 66.8891 171.6140 35 G 4.0334 7.7863 104.8709 43.8926 0.0000 173.8229 36 D 4.4271 9.0375 124.3653 52.6553 42.5849 175.7897 37 K 3.9844 8.7087 127.6130 59.7878 32.7165 179.3511 38 T 4.1175 8.0993 108.0403 63.2314 69.0603 174.6257 39 F 4.8278 8.2817 123.7677 57.2384 39.7484 175.0275 40 S 3.6726 7.6096 112.1711 59.5604 60.8503 173.1167 41 L 4.8576 7.5786 119.3282 52.5890 44.3376 177.6218 42 S 4.5882 8.7952 118.9939 58.1562 63.9594 174.4723 43 K 4.5014 8.5963 120.7924 56.9412 33.2827 175.5589 44 E 5.3664 9.1087 123.5123 55.1135 33.6763 173.9378 45 K 5.1289 9.6315 124.4009 54.8423 37.2526 175.0302 46 F 6.0280 9.0266 121.0368 56.1653 42.0695 174.6741 47 F 5.5234 9.8774 120.5901 55.8033 43.9009 173.6129 48 L 5.3354 9.1261 120.7659 53.2249 44.4693 175.6843 49 I 4.6018 8.6923 124.4249 59.2359 40.1817 175.9042 50 A 3.7825 9.6934 132.6406 53.2560 15.8923 177.4900 51 G 3.9759 8.2312 105.9867 46.2102 0.0000 173.3334 52 L 4.5877 8.0333 121.0874 52.7494 43.3202 175.4094 53 W 5.1115 8.8240 133.6189 57.2404 31.8502 174.6176 54 I 4.9808 9.3340 129.4807 59.8809 39.2700 174.4364 55 C 5.3945 9.1420 125.7103 58.2798 30.3441 172.8897 56 I 5.1941 9.4321 124.4559 59.8501 40.1427 174.4977 57 M 5.3236 9.0777 125.6006 53.4008 35.8859 174.3321 58 E 4.6153 8.9324 124.4808 56.1950 30.6504 176.5210 59 G 4.1361 8.8488 113.1036 47.0779 0.0000 172.1358 60 D 4.8922 8.9688 122.2747 53.9116 41.7909 176.4886 61 S 4.4583 8.2990 118.5553 57.7207 63.7747 174.1308 62 L 4.1767 7.9846 122.4706 54.8428 41.8481 178.1302 63 Q 4.1446 8.6906 121.8668 58.4869 28.9648 176.2683 64 E 4.7476 7.6396 114.0406 54.4967 33.7157 174.6030 65 R 4.4726 8.3273 119.5903 55.4219 31.2660 176.1160 66 T 4.7847 8.1217 110.9270 60.0123 71.9997 172.9161 67 Y 4.4723 8.5327 120.4164 57.9435 39.0014 174.9073 68 N 4.3887 7.6971 116.6484 54.3540 39.0205 173.7395 69 H 4.3949 7.7827 116.3127 55.1897 31.3325 172.6905 70 I 4.3085 7.4034 119.1685 59.4575 39.4417 174.8566 71 A 5.1461 8.1215 127.0735 50.2774 21.1847 175.4931 72 F 4.7070 9.3873 122.0023 56.2783 41.6581 174.7976 73 Q 5.0848 8.7085 122.6556 55.0937 30.4792 174.3833 74 I 4.7608 8.4534 118.2042 59.4773 42.0944 174.0240 75 Q 4.5049 9.4902 120.8438 54.9191 30.0631 177.4482 76 S 4.1264 8.6062 114.8945 61.6583 62.2422 176.3828 77 E 4.1348 8.1808 119.4215 58.3504 29.5232 177.7687 78 E 4.4520 8.0399 117.6019 56.1448 30.0101 177.8272 79 V 3.6424 7.5852 119.6129 66.3632 31.6093 177.5332 80 D 4.3512 8.0626 117.8342 57.2112 40.7315 178.0455 81 E 3.7748 8.1293 119.2253 59.8196 29.6349 178.5549 82 Y 3.8479 8.1069 116.4545 60.8653 37.7901 178.5428 83 T 3.8219 8.0030 116.9502 66.7982 68.7063 176.3611 84 E 3.9243 8.1060 120.2259 59.5235 29.2555 179.6561 85 R 3.8353 7.6610 116.9469 59.2067 30.2432 178.9841 86 I 3.6170 7.6976 119.5982 64.0963 37.1088 178.0877 87 K 3.7964 7.9477 120.3106 59.6331 31.7492 178.0487 88 A 4.2273 7.7655 118.1736 53.5705 18.1179 178.1683 89 L 4.5875 8.2317 117.2887 53.6496 42.3542 178.0906 90 G 3.9708 8.0830 107.0099 45.4592 0.0000 174.3928 91 V 3.9764 7.0022 112.3475 60.9627 32.7230 175.8716 92 E 4.4647 8.8013 122.0209 56.5505 30.8949 175.5707 93 M 5.4016 8.6331 122.3096 53.7736 34.4077 176.2795 94 K 4.1233 9.2860 125.0488 59.7012 32.6426 178.5769 *103 E 4.4034 8.0124 113.3414 55.5280 32.5242 180.1749 104 G 4.5287 7.8199 120.1654 46.2937 0.0000 177.4792 105 R 4.7110 8.8749 125.2730 55.3318 32.8835 173.6884 106 S 4.9015 8.1186 113.9392 57.0760 67.1528 173.3405 107 I 4.6564 8.6154 125.1604 59.7170 39.8259 174.1152 108 Y 5.2925 8.7532 123.9019 56.2511 41.1171 174.6026 109 F 5.3779 8.8069 117.3192 56.2766 41.7895 172.5219 110 Y 5.8985 9.0575 117.3737 55.8896 40.3009 176.4825 111 D 4.0681 8.5664 122.3732 53.0327 41.2098 176.9885 112 F 4.7113 8.2111 121.9070 58.1988 39.2475 175.3697 113 D 4.8633 8.8069 120.3716 53.9449 41.8961 175.7506 114 N 4.2058 8.3623 113.5655 54.7398 35.9334 173.4603 115 H 4.7580 8.3269 115.3715 54.3927 30.3091 174.1327 116 L 4.2458 8.2836 125.9199 54.3082 43.3884 175.2691 117 F 5.0910 8.9527 124.6502 55.5055 42.7991 173.8137 118 E 4.8120 9.0775 121.6367 54.3256 33.2865 174.3586 119 L 5.1302 8.8844 126.6179 53.4872 44.1878 174.6631 120 H 5.2328 9.4667 125.2526 54.4335 31.7509 173.3644 121 A 4.7902 8.9954 129.0254 51.4846 19.4673 177.7163 122 G 3.8705 9.1076 108.4773 45.5504 0.0000 172.6899 123 T 4.6406 7.9379 108.6172 59.7875 72.0806 175.5940 124 L 4.1792 8.6664 125.9363 58.5522 41.4444 180.1471 125 E 4.0665 8.3247 119.6319 62.0668 29.7046 182.3518 126 E 4.4646 8.0435 120.3631 61.1159 29.9211 181.2382 127 R 4.5587 8.1756 119.8180 60.5931 29.5661 180.2817 128 L 4.3104 7.8172 119.3364 56.6009 40.5045 176.8475 129 K 4.5239 7.9771 127.8278 54.8175 34.3100 173.3998 130 R 4.2217 8.3980 124.4935 57.3586 29.3598 179.1731 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 M 8.30 4.31 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 I 8.37 3.45 1.86 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 1.45 0.75 0.92 0.00 0.00 3 S 8.91 4.30 0.00 3.98 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 4 G 7.26 3.78 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 0.00 0.00 0.00 5 L 8.00 4.15 0.00 1.57 1.58 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.52 4.45 0.00 3.87 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 7 H 6.92 4.69 0.00 2.51 2.45 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.16 4.47 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.85 0.00 0.00 9 T 8.48 5.11 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 1.22 0.00 0.00 10 L 9.09 4.87 0.00 1.58 1.48 1.06 0.30 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 11 I 8.46 4.99 1.94 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 1.39 0.87 1.01 0.00 0.00 12 V 8.85 4.73 2.30 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 0.95 0.00 0.00 1.09 0.00 0.00 13 K 9.73 4.40 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.39 7.81 14 D 7.76 4.89 0.00 2.66 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 10.24 4.08 0.00 1.83 1.73 1.12 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.23 4.42 0.00 2.92 2.87 0.00 0.00 7.16 7.07 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 17 K 8.35 3.98 0.00 1.78 1.38 0.00 1.46 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.29 1.64 7.81 18 T 8.20 4.19 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 1.36 0.00 0.00 19 T 8.38 3.90 4.57 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 1.58 0.00 0.00 20 A 7.97 4.06 1.44 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 21 F 8.30 4.27 0.00 3.55 3.43 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 22 L 8.46 3.91 0.00 1.44 1.28 0.15 0.36 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 23 Q 8.32 4.10 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.73 2.67 0.00 24 N 8.21 4.31 0.00 2.74 2.81 0.00 0.00 7.08 8.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.25 3.74 0.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.09 -0.22 0.00 0.00 26 F 7.61 4.40 0.00 2.84 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 27 N 8.40 4.42 0.00 2.89 2.92 0.00 0.00 7.24 7.35 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 28 A 8.18 4.34 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 29 E 9.02 4.60 0.00 2.15 1.93 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 2.27 2.28 0.00 30 E 9.03 4.24 0.00 1.88 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 2.11 1.84 0.00 31 I 8.38 4.59 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.01 0.93 0.00 0.00 32 Y 7.51 4.62 0.00 2.97 2.50 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 33 S 7.12 4.78 0.00 3.81 3.37 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 34 S 9.29 4.38 0.00 3.80 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 0.00 0.00 0.00 36 D 9.04 4.43 0.00 2.67 2.60 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 0.00 0.00 0.00 0.00 37 K 8.71 3.98 0.00 2.00 2.09 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.46 7.81 38 T 8.10 4.12 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 1.24 0.00 0.00 39 F 8.28 4.83 0.00 3.10 3.08 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 40 S 7.61 3.67 0.00 3.97 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 41 L 7.58 4.86 0.00 1.87 1.64 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.80 4.59 0.00 3.91 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 43 K 8.60 4.50 0.00 1.78 1.80 0.00 1.67 0.00 0.00 1.97 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.46 7.81 44 E 9.11 5.37 0.00 2.12 1.82 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 2.39 2.73 0.00 45 K 9.63 5.13 0.00 1.88 1.31 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.41 7.81 46 F 9.03 6.03 0.00 3.03 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 47 F 9.88 5.52 0.00 3.06 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 48 L 9.13 5.34 0.00 1.65 1.63 0.93 1.12 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 49 I 8.69 4.60 1.92 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.83 0.79 0.00 0.00 50 A 9.69 3.78 1.40 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 0.00 0.00 0.00 51 G 8.23 3.98 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 0.00 52 L 8.03 4.59 0.00 1.92 1.71 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.82 5.11 0.00 3.34 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 54 I 9.33 4.98 2.10 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 1.03 1.00 0.00 0.00 55 C 9.14 5.39 0.00 2.68 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 56 I 9.43 5.19 2.23 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 1.08 0.00 0.00 57 M 9.08 5.32 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 58 E 8.93 4.62 0.00 2.06 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 2.40 2.43 0.00 59 G 8.85 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 60 D 8.97 4.89 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.46 0.00 3.86 3.84 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 62 L 7.98 4.18 0.00 1.70 1.58 0.96 0.82 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 63 Q 8.69 4.14 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 64 E 7.64 4.75 0.00 1.88 1.78 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 2.19 2.24 0.00 65 R 8.33 4.47 0.00 1.74 1.94 0.00 2.69 0.00 0.00 2.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 66 T 8.12 4.78 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 Y 8.53 4.47 0.00 2.90 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 68 N 7.70 4.39 0.00 2.75 2.66 0.00 0.00 6.76 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 69 H 7.78 4.39 0.00 2.94 2.93 0.00 5.69 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 70 I 7.40 4.31 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.31 0.00 0.00 71 A 8.12 5.15 1.10 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 72 F 9.39 4.71 0.00 3.14 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 73 Q 8.71 5.08 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 74 I 8.45 4.76 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.42 0.00 0.00 75 Q 9.49 4.50 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.38 6.83 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 76 S 8.61 4.13 0.00 3.88 3.86 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 77 E 8.18 4.13 0.00 1.97 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 2.32 2.46 0.00 78 E 8.04 4.45 0.00 2.34 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 2.31 2.34 0.00 79 V 7.59 3.64 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 1.06 0.00 0.00 1.04 0.00 0.00 80 D 8.06 4.35 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 81 E 8.13 3.77 0.00 1.90 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 1.93 2.18 0.00 82 Y 8.11 3.85 0.00 3.05 2.81 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 83 T 8.00 3.82 4.41 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 1.22 0.00 0.00 84 E 8.11 3.92 0.00 2.06 1.93 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 2.29 2.45 0.00 85 R 7.66 3.84 0.00 1.72 1.80 0.00 2.76 0.00 0.00 2.53 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 86 I 7.70 3.62 1.77 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 0.50 0.43 0.58 0.00 0.00 87 K 7.95 3.80 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 88 A 7.77 4.23 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.23 4.59 0.00 1.87 1.88 1.03 1.42 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 90 G 8.08 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 91 V 7.00 3.98 2.35 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 0.31 0.00 0.00 1.12 0.00 0.00 92 E 8.80 4.46 0.00 2.11 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 2.44 2.38 0.00 93 M 8.63 5.40 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.66 0.00 94 K 9.29 4.12 0.00 1.87 1.91 0.00 1.93 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.58 7.81 *103 E 8.01 4.40 0.00 2.01 1.87 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 2.13 1.89 0.00 104 G 7.82 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.87 4.71 0.00 1.78 1.93 0.00 3.15 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 106 S 8.12 4.90 0.00 3.90 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 0.00 107 I 8.62 4.66 1.91 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 1.27 0.85 1.00 0.00 0.00 108 Y 8.75 5.29 0.00 2.94 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 0.00 109 F 8.81 5.38 0.00 3.36 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 0.00 110 Y 9.06 5.90 0.00 2.88 2.91 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 0.00 111 D 8.57 4.07 0.00 1.97 2.40 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 0.00 112 F 8.21 4.71 0.00 3.00 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 0.00 113 D 8.81 4.86 0.00 2.61 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 0.00 114 N 8.36 4.21 0.00 2.93 2.91 0.00 0.00 7.06 8.16 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 0.00 115 H 8.33 4.76 0.00 3.32 2.63 0.00 5.63 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 0.00 116 L 8.28 4.25 0.00 1.62 1.33 0.19 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.95 5.09 0.00 1.79 2.61 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 0.00 118 E 9.08 4.81 0.00 1.54 1.57 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 1.85 1.47 0.00 119 L 8.88 5.13 0.00 1.57 1.42 0.49 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 H 9.47 5.23 0.00 3.29 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.00 4.79 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 0.00 122 G 9.11 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 0.00 123 T 7.94 4.64 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 1.22 0.00 0.00 124 L 8.67 4.18 0.00 1.71 1.77 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.32 4.07 0.00 2.06 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 2.24 1.96 0.00 126 E 8.04 4.46 0.00 2.09 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 2.26 2.19 0.00 127 R 8.18 4.56 0.00 1.86 1.89 0.00 3.24 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 128 L 7.82 4.31 0.00 1.80 1.70 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.98 4.52 0.00 1.72 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.12 0.84 7.81 130 R 8.40 4.22 0.00 1.82 1.73 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.