NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3483 8.4449 120.2324 56.3859 31.3269 175.6345 3 R 4.1944 8.3343 116.1732 55.8800 28.2782 174.5914 4 Y 4.3838 8.0934 122.6825 60.3133 40.9462 177.9119 5 R 3.8720 8.2196 119.9358 59.5276 29.6861 182.3873 6 R 4.0871 8.1547 115.1898 58.2782 29.5945 179.7031 7 G 3.9035 7.6411 104.2829 46.4628 0.0000 174.2841 *9 E 3.9734 8.0209 118.1413 55.4605 31.0897 176.2323 10 I 4.4698 7.7895 117.3117 62.2791 40.6949 177.6250 11 L 3.7732 7.5841 120.0799 57.4179 41.9391 176.9019 12 N 4.5447 7.8568 114.7414 54.8646 38.9768 174.9734 13 R 4.2601 7.6568 117.2136 58.0654 30.6641 177.2169 *15 N 4.5656 7.8025 117.7669 52.6760 37.5864 180.8289 16 R 4.3170 8.1458 122.5380 57.4633 30.2976 178.2463 17 K 5.0467 7.5386 113.5626 56.6533 34.6473 178.1251 18 S 4.5717 8.0239 113.1066 58.8924 62.2880 174.2572 19 Y 4.7236 8.2198 121.8733 58.1221 42.8526 177.1584 20 T 2.8178 7.3933 109.1502 64.5036 68.6414 175.7200 21 A 3.9363 7.6582 123.5074 54.5619 18.3183 179.5090 22 I 4.3084 7.3254 115.5231 62.5274 36.7551 177.3169 23 R 4.7217 7.4305 119.7315 56.4800 30.6047 180.3679 24 D 4.6960 8.6812 119.8080 56.5553 44.2016 180.8588 25 E 4.7060 8.0992 113.4361 55.5928 28.9235 178.4857 26 L 4.6484 7.6479 123.5004 57.9145 46.1140 178.9163 27 E 4.4556 8.2262 119.8495 56.5515 29.2244 180.2574 28 D 4.9692 9.0578 121.6100 54.0672 42.2466 179.9182 29 V 4.3087 7.7962 112.5978 63.6556 34.2224 174.8923 30 A 4.5523 7.7071 121.5706 49.5581 19.2635 173.8264 31 P 4.6232 0.0000 0.0000 62.4056 30.9704 176.3445 32 D 4.4046 7.5187 119.4275 54.9403 43.4128 179.7870 33 L 4.1641 7.9577 120.8142 58.1137 41.9946 178.5735 34 A 4.0540 8.0455 120.1199 55.4219 18.1464 179.6153 35 R 4.1363 7.8520 115.7374 59.4884 30.2416 178.8164 36 F 4.6227 7.9556 117.9647 61.0307 38.8996 178.4815 37 V 3.7686 8.3460 118.3222 64.8287 31.2704 178.2500 38 A 3.7394 7.7508 121.5059 54.7647 18.2175 179.4029 39 E 3.9871 8.9652 117.3804 59.5646 29.6883 179.4302 40 F 4.3464 9.1286 120.6783 61.2482 39.6792 177.2144 41 A 3.5149 7.9705 119.8335 55.3223 18.2234 178.9160 42 Y 3.9104 8.1936 114.3024 60.2918 38.7542 178.9000 43 G 4.1137 8.0736 107.1710 47.3458 0.0000 174.8445 44 D 4.6687 7.7252 119.2768 55.0946 41.8886 178.6441 45 V 3.7494 7.2634 117.6614 65.5079 32.1491 176.9140 46 Y 4.0232 8.4439 116.8720 61.1160 37.7427 178.3830 47 S 4.2472 7.6164 111.9291 59.9080 63.0556 174.8192 48 R 4.2124 7.7474 120.4692 56.1528 30.4509 177.0047 49 G 4.0131 8.1404 108.3291 43.8153 0.0000 171.9651 50 V 4.3673 7.9876 122.6892 61.6847 33.6884 175.4526 51 L 4.7420 7.6772 120.3219 52.5831 45.0381 177.1477 52 D 4.4998 8.4433 123.9662 55.2492 41.7415 176.5618 53 L 3.9856 8.3166 122.5027 58.5646 41.0898 179.7107 54 K 4.0473 8.0493 117.2079 58.8867 31.8351 179.0812 55 T 3.9952 7.4680 115.9888 66.3421 68.9708 176.8018 56 R 3.7483 7.8344 119.8738 59.5496 30.0107 178.9901 57 E 4.1041 8.0973 118.0338 59.1490 29.3546 179.4415 58 L 3.9845 7.3380 119.3514 57.8562 41.7687 179.4039 59 L 3.9535 8.0568 118.9612 58.0860 41.3682 179.9112 60 T 3.8901 7.7940 115.2703 66.5742 68.2153 176.7980 61 L 3.9654 7.7116 119.4895 57.6267 41.8905 179.3519 62 A 4.0848 8.1571 120.5711 55.0373 18.0503 179.2997 63 A 3.9237 7.9889 119.2489 55.6110 18.5099 179.9927 64 L 4.0280 8.2519 117.0881 57.5621 41.4989 179.9862 65 T 3.8027 7.5987 115.8856 66.5209 68.2058 176.5375 66 V 3.5822 7.6888 118.0148 66.1772 31.7650 177.6914 67 L 4.1101 7.4504 115.6597 55.2734 41.4550 177.4183 68 R 3.8416 7.5446 116.1488 57.4944 28.4103 178.1121 69 A 4.3763 7.7169 120.2773 50.8807 15.1752 177.3206 70 D 4.3179 8.1625 124.6487 57.4216 41.4498 178.2375 71 D 4.3786 8.0018 117.9017 57.8447 40.8905 179.0561 72 Q 4.1980 8.0029 115.7590 57.9871 29.0203 178.1424 73 L 4.1357 7.9620 122.1742 57.9999 42.1765 178.6653 74 K 3.8518 8.1165 118.5066 59.8156 32.2056 178.9943 75 S 4.3919 7.9020 114.3101 60.8803 61.7024 175.0560 76 H 4.7394 8.1451 116.4151 56.0408 28.5986 177.1829 77 V 3.8031 8.0066 122.2414 65.8474 31.7464 177.8534 78 R 4.0704 8.2016 117.4304 59.5890 29.8564 179.1093 79 G 3.6679 7.9296 103.7526 47.4950 0.0000 175.8020 80 A 4.0954 7.7585 122.3734 55.0992 18.2957 179.3506 81 L 4.1917 8.2297 119.1566 57.6490 41.5423 179.3691 82 N 3.8009 8.3238 115.9482 56.4835 38.6500 177.0041 83 A 4.2509 7.8233 120.8597 52.9566 18.4557 178.0633 84 G 4.1492 8.5243 107.2992 45.6753 0.0000 173.5455 85 C 4.6106 8.4709 118.3490 58.6029 29.3391 173.5210 86 S 4.4965 8.5658 118.8064 57.7451 64.9241 175.5608 87 K 3.8902 8.6893 125.8224 60.8295 31.6271 179.2088 88 D 4.4312 8.1988 120.3969 58.6629 39.7104 180.5788 89 E 4.1606 8.2076 118.7015 59.5770 29.4667 179.7493 90 I 3.7470 7.5084 117.7767 64.8368 37.3722 178.3292 91 I 3.8669 8.0115 119.0564 64.2188 37.0911 178.1568 92 E 4.1538 8.3199 119.6966 59.3308 29.2547 181.3765 93 V 3.8177 7.3199 112.0633 61.3362 32.6130 177.9287 *95 I 4.1052 7.7085 119.6163 61.5565 39.1812 179.0049 96 Q 4.1486 7.8594 123.0304 55.5202 27.2768 177.4769 *98 A 4.5610 7.8423 120.4981 52.1324 20.7521 179.6333 99 V 3.5273 7.1377 114.8039 66.1326 31.6383 176.8039 100 Y 4.3278 7.7632 114.1890 58.9594 38.0998 175.9814 101 A 4.5647 7.8462 119.1642 51.2205 21.7775 176.9623 102 G 4.1834 7.9202 101.5983 45.4223 0.0000 175.1471 103 F 3.8801 9.0165 118.6884 59.8653 38.9396 176.4269 104 P 4.3526 0.0000 0.0000 65.0914 31.1167 178.5937 105 A 3.9487 7.9673 119.2357 55.1317 18.4727 179.4044 106 A 3.8717 7.8158 118.7819 55.3229 18.4114 179.6756 107 I 3.6324 8.0589 118.7878 64.6504 36.7064 178.2613 108 N 4.3210 8.4089 117.6170 56.3519 38.7315 176.9077 109 A 3.8308 8.0476 122.5309 54.8978 18.4606 179.7409 110 V 3.4153 7.8377 116.7924 66.1387 31.7796 178.1919 111 L 3.8730 7.7233 118.4593 57.6122 40.9883 179.2644 112 A 4.1384 7.4127 120.0976 54.5635 18.6068 179.4405 113 A 3.8288 7.9241 121.7775 55.2402 18.2152 180.4091 114 K 3.6764 7.9386 122.8027 60.4452 31.5325 182.1572 115 E 4.0828 7.4857 117.3334 59.7538 29.5215 179.5099 116 V 4.5209 7.3408 119.2137 64.6163 31.4191 177.8981 117 F 4.6210 8.3429 117.8739 59.5847 40.2258 177.0170 118 T 4.5362 7.7818 109.1265 60.5682 66.0215 173.7708 119 E 4.2817 7.9655 124.8447 57.8237 31.1013 176.1249 120 N 5.2022 7.8635 116.2245 51.4949 41.2807 173.6682 121 D 4.5363 8.6735 123.5990 54.7172 41.0120 176.1743 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 E 8.44 4.35 0.00 2.01 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 2.25 2.43 0.00 3 R 8.33 4.19 0.00 1.93 1.95 0.00 3.39 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 4 Y 8.09 4.38 0.00 2.98 2.95 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 5 R 8.22 3.87 0.00 1.87 1.83 0.00 3.34 0.00 0.00 3.26 7.33 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 R 8.15 4.09 0.00 1.82 1.89 0.00 3.21 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 7 G 7.64 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 *9 E 8.02 3.97 0.00 1.95 2.03 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 2.17 2.32 0.00 10 I 7.79 4.47 2.08 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 1.20 1.10 1.06 0.00 0.00 11 L 7.58 3.77 0.00 0.75 0.90 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.86 4.54 0.00 2.64 2.77 0.00 0.00 6.91 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 13 R 7.66 4.26 0.00 1.97 1.96 0.00 3.42 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 *15 N 7.80 4.57 0.00 2.67 2.78 0.00 0.00 6.98 7.66 0.00 0.00 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 8.15 4.32 0.00 1.73 1.96 0.00 3.15 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 17 K 7.54 5.05 0.00 1.87 1.77 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.32 7.81 18 S 8.02 4.57 0.00 3.90 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 19 Y 8.22 4.72 0.00 2.79 3.02 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 20 T 7.39 2.82 4.01 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 1.10 0.00 0.00 21 A 7.66 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 22 I 7.33 4.31 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 0.94 0.00 0.00 23 R 7.43 4.72 0.00 1.74 1.74 0.00 3.22 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.39 0.00 24 D 8.68 4.70 0.00 2.52 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 25 E 8.10 4.71 0.00 1.98 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 2.22 1.86 0.00 26 L 7.65 4.65 0.00 1.65 1.50 0.95 1.19 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 27 E 8.23 4.46 0.00 2.03 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 2.23 1.88 0.00 28 D 9.06 4.97 0.00 2.51 2.57 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 29 V 7.80 4.31 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 0.97 0.00 0.00 0.92 0.00 0.00 30 A 7.71 4.55 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 31 P 0.00 4.62 0.00 2.12 2.06 0.00 3.74 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 1.87 1.90 0.00 32 D 7.52 4.40 0.00 2.58 2.64 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 33 L 7.96 4.16 0.00 1.81 1.73 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.05 4.05 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 35 R 7.85 4.14 0.00 1.74 1.94 0.00 2.97 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 36 F 7.96 4.62 0.00 3.31 3.12 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 0.00 37 V 8.35 3.77 2.23 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 0.96 0.00 0.00 1.07 0.00 0.00 38 A 7.75 3.74 1.17 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 0.00 0.00 39 E 8.97 3.99 0.00 2.28 2.22 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 2.64 2.80 0.00 40 F 9.13 4.35 0.00 3.14 3.34 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 41 A 7.97 3.51 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 42 Y 8.19 3.91 0.00 3.00 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 43 G 8.07 4.11 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 0.00 44 D 7.73 4.67 0.00 2.75 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 45 V 7.26 3.75 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 0.76 0.00 0.00 0.25 0.00 0.00 46 Y 8.44 4.02 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 47 S 7.62 4.25 0.00 3.95 4.16 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 48 R 7.75 4.21 0.00 1.83 1.85 0.00 3.07 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 49 G 8.14 4.01 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 0.00 0.00 0.00 50 V 7.99 4.37 2.03 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 0.84 0.00 0.00 0.90 0.00 0.00 51 L 7.68 4.74 0.00 1.51 1.42 0.84 0.94 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 52 D 8.44 4.50 0.00 2.68 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 53 L 8.32 3.99 0.00 1.70 1.65 0.88 0.39 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 54 K 8.05 4.05 0.00 1.81 1.84 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.54 7.81 55 T 7.47 4.00 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 1.15 0.00 0.00 56 R 7.83 3.75 0.00 1.62 1.39 0.00 2.72 0.00 0.00 2.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 57 E 8.10 4.10 0.00 2.03 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 2.40 2.74 0.00 58 L 7.34 3.98 0.00 2.01 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.06 3.95 0.00 1.76 1.68 0.85 0.58 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 60 T 7.79 3.89 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 0.98 0.00 0.00 61 L 7.71 3.97 0.00 1.86 1.75 0.97 0.90 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 62 A 8.16 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 3.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.25 4.03 0.00 1.69 1.74 0.92 0.88 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 65 T 7.60 3.80 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 1.20 0.00 0.00 66 V 7.69 3.58 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 0.89 0.00 0.00 0.95 0.00 0.00 67 L 7.45 4.11 0.00 1.67 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.54 3.84 0.00 1.95 2.04 0.00 3.17 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 69 A 7.72 4.38 1.31 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 0.00 0.00 70 D 8.16 4.32 0.00 2.73 2.72 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 71 D 8.00 4.38 0.00 2.70 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 72 Q 8.00 4.20 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.07 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 73 L 7.96 4.14 0.00 2.04 1.84 0.91 0.28 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 74 K 8.12 3.85 0.00 1.99 1.87 0.00 1.74 0.00 0.00 1.57 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 75 S 7.90 4.39 0.00 3.93 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 76 H 8.15 4.74 0.00 3.48 3.36 0.00 5.66 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 77 V 8.01 3.80 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 1.26 0.00 0.00 0.97 0.00 0.00 78 R 8.20 4.07 0.00 1.93 2.03 0.00 3.20 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 79 G 7.93 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.76 4.10 1.48 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 0.00 0.00 81 L 8.23 4.19 0.00 1.94 1.72 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 82 N 8.32 3.80 0.00 2.72 2.93 0.00 0.00 7.15 6.91 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 83 A 7.82 4.25 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 84 G 8.52 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 85 C 8.47 4.61 0.00 3.09 2.87 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 86 S 8.57 4.50 0.00 4.06 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 87 K 8.69 3.89 0.00 1.58 1.50 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.35 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.39 1.09 7.81 88 D 8.20 4.43 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.16 0.00 2.21 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 2.35 2.39 0.00 90 I 7.51 3.75 2.28 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.99 0.00 0.00 91 I 8.01 3.87 2.20 0.00 0.00 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 1.61 0.55 0.95 0.00 0.00 92 E 8.32 4.15 0.00 2.20 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 2.48 2.51 0.00 93 V 7.32 3.82 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 0.74 0.00 0.00 0.98 0.00 0.00 *95 I 7.71 4.11 2.02 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 1.28 0.31 0.87 0.00 0.00 96 Q 7.86 4.15 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.38 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 *98 A 7.84 4.56 0.63 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 0.00 0.00 99 V 7.14 3.53 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 -0.17 0.00 0.00 0.83 0.00 0.00 100 Y 7.76 4.33 0.00 3.04 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 0.00 101 A 7.85 4.56 1.26 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 0.00 0.00 0.00 102 G 7.92 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 0.00 103 F 9.02 3.88 0.00 3.11 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 P 0.00 4.35 0.00 2.19 2.13 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 105 A 7.97 3.95 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 0.00 106 A 7.82 3.87 1.15 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 0.00 107 I 8.06 3.63 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.93 0.00 0.00 108 N 8.41 4.32 0.00 2.86 2.95 0.00 0.00 7.14 7.76 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 0.00 109 A 8.05 3.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 3.42 2.03 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 1.05 0.00 0.00 0.90 0.00 0.00 111 L 7.72 3.87 0.00 1.82 1.69 0.94 0.89 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 0.00 112 A 7.41 4.14 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 0.00 113 A 7.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.94 3.68 0.00 1.76 1.84 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 115 E 7.49 4.08 0.00 2.16 2.03 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 2.35 2.49 0.00 116 V 7.34 4.52 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 0.96 0.00 0.00 1.08 0.00 0.00 117 F 8.34 4.62 0.00 3.11 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 0.00 118 T 7.78 4.54 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 1.28 0.00 0.00 119 E 7.97 4.28 0.00 2.08 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 2.38 2.55 0.00 120 N 7.86 5.20 0.00 2.63 2.67 0.00 0.00 7.02 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 D 8.67 4.54 0.00 2.70 2.57 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 * Residues marked with a * may have inaccurate shift predictions.