NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6540 8.2227 120.3200 52.9152 41.4084 176.8738 3 E 3.7793 8.1496 123.2713 58.7510 29.5201 176.9867 4 L 4.0508 8.6714 121.4273 58.1171 42.6285 178.3589 5 L 3.9534 7.8829 118.5255 57.6116 41.5565 179.0104 6 N 4.2620 8.1669 116.6811 56.2869 38.3746 177.6563 7 R 3.8600 7.9936 119.5654 58.9241 30.1150 178.8085 8 L 2.4400 7.4709 120.0832 57.5875 41.9549 178.9551 9 R 3.5024 7.4878 118.5625 59.5137 29.9754 178.4779 10 Q 3.9521 7.9861 117.7872 59.1233 28.4925 178.9828 11 T 3.8004 7.7869 117.1692 66.5035 68.4449 176.3882 12 W 4.2478 7.9029 120.8457 60.3537 28.8691 178.1532 13 H 4.3843 8.3253 116.1280 59.0256 28.3469 177.6938 14 S 4.3959 8.1434 114.8856 60.1147 63.2324 174.9010 15 T 4.4361 7.6529 110.6508 61.3975 70.5022 174.7850 16 I 4.3572 8.1340 123.1564 57.7557 38.5298 173.4868 17 P 4.2445 0.0000 0.0000 65.7686 31.1735 178.1716 18 V 3.6658 7.7765 116.5012 66.0276 31.5809 178.0952 19 S 4.0230 8.1707 114.0001 61.1798 62.5139 176.1984 20 E 3.6697 7.3169 119.6636 58.6961 29.4445 179.2636 21 F 4.2553 7.8195 117.9934 58.4049 39.8031 174.9203 *23 Q 4.1585 8.0240 112.9384 55.0823 29.2481 175.5859 24 I 4.2011 7.6755 118.5149 61.2596 39.1374 175.0644 25 A 5.0001 9.0068 129.0598 50.0732 22.8467 174.1411 26 P 4.7473 0.0000 0.0000 63.2120 31.8668 175.8472 27 L 4.7177 8.8634 121.9835 56.0260 43.4136 176.7424 28 S 4.6198 7.7203 110.3407 57.9545 66.2025 174.2752 29 F 5.5040 8.7102 123.2108 57.5294 40.6738 173.2180 30 T 4.2850 8.6765 115.3761 60.6110 72.0007 173.5884 31 D 4.2193 9.4633 120.3639 55.6212 38.7210 174.6387 32 G 4.0225 7.9021 102.5295 45.9173 0.0000 172.2326 33 E 5.2857 8.3765 120.8871 54.0382 32.8178 174.0850 34 L 5.3372 9.1312 129.3201 53.7227 44.4500 174.9904 35 S 5.4922 9.2562 122.3016 56.9003 66.0409 173.3572 36 V 4.9999 9.1239 123.1023 61.6869 35.6840 173.6353 37 S 5.0192 8.9853 118.0502 57.6162 66.6336 172.3092 38 A 4.7861 8.1431 122.7693 50.0541 21.5848 174.6103 39 P 4.4707 0.0000 0.0000 62.4255 32.4739 177.2077 40 L 4.0607 8.7182 121.1490 58.5248 41.9315 178.7739 41 A 3.9369 7.9201 118.7821 55.2544 18.4350 177.6308 42 P 4.2631 0.0000 0.0000 64.3541 31.4156 177.0578 43 N 5.0018 7.8016 114.5565 52.8070 38.7467 175.0054 44 I 4.4316 7.5874 112.3902 60.3919 39.1218 173.9349 45 N 5.0542 8.1882 116.8626 50.9879 39.8513 174.1918 46 L 3.7628 8.5564 118.3106 58.8500 40.6831 178.1079 47 H 4.6040 8.3797 113.5249 55.6266 28.7608 175.5780 48 H 4.2962 8.0578 115.5606 56.6857 26.5693 175.0834 49 T 4.1725 7.2082 108.0726 62.3990 70.6791 173.6168 *51 F 4.8900 8.0120 118.7463 56.9905 42.2223 174.7924 52 A 3.8664 8.4349 127.0866 55.4439 18.0060 180.2445 53 G 3.0906 5.3800 103.2705 47.6549 0.0000 176.1009 54 S 4.2179 7.5127 116.9860 61.3304 62.7556 176.4552 55 I 3.7013 7.6914 121.7363 64.6049 36.9841 177.5508 56 Y 4.1120 7.8007 118.8116 60.9973 38.8979 177.7358 57 T 4.0180 8.1892 116.7291 66.5389 68.5196 177.4818 58 I 3.7781 7.7193 119.6472 61.9680 36.8680 177.8904 *60 T 3.9424 7.8167 116.1458 61.9855 69.0650 175.8860 61 L 3.9063 7.7265 121.3785 57.8095 41.1096 179.6499 62 T 4.1804 7.6216 115.3722 66.4388 68.4479 176.7591 63 G 3.7016 7.8740 106.0685 47.5024 0.0000 174.8308 64 W 4.2828 8.5921 132.0630 59.9522 30.5829 179.3186 65 G 4.1855 9.0526 104.2184 45.3542 0.0000 175.2834 *67 V 3.7791 7.7808 122.1078 62.1595 33.5685 177.1758 68 W 3.6361 7.9168 129.1213 60.3149 30.2830 177.9317 69 L 3.6376 8.0427 119.0418 57.8360 41.0325 179.5680 70 Q 3.5134 7.3249 117.3565 58.7163 28.4666 178.7448 71 Q 3.7553 7.7553 119.2296 58.8841 28.8068 178.7729 72 Q 3.5722 7.3617 118.9592 58.7994 28.4079 178.8646 73 L 3.9005 7.5535 118.9947 57.0680 41.7154 178.3647 74 L 4.1977 7.4647 117.2834 53.8956 42.8558 175.5184 75 N 4.0751 7.7010 113.5776 55.5890 36.4393 174.0262 76 V 4.4990 7.6713 108.7566 59.4634 35.6017 175.1659 77 D 4.8587 7.9777 119.9329 52.4292 44.1377 175.1458 78 G 4.1614 7.7963 107.8892 46.0048 0.0000 172.6718 79 D 4.8501 8.7797 124.1453 53.7042 41.9450 175.7127 80 I 4.6443 8.5807 125.6554 60.6602 38.1295 175.7007 81 V 4.6796 9.1070 127.4747 60.8462 34.7931 174.0831 82 L 4.3383 8.8860 129.8595 55.1276 42.0836 175.8914 83 A 4.5470 8.9181 129.2342 54.0698 19.8846 176.9971 84 D 4.7365 7.6436 112.1440 52.5560 42.5300 174.3669 85 A 4.9292 8.2060 120.6430 51.0276 22.7905 175.0465 86 H 4.8459 8.8221 116.0022 53.9677 32.8218 172.7089 87 I 5.0647 8.3716 121.6380 59.2598 41.4415 174.2886 88 R 4.5693 8.9162 127.2170 54.5940 33.4030 174.0276 89 Y 4.6754 8.7371 122.0138 57.0283 38.1813 175.1909 90 L 4.5196 8.9610 125.5619 56.4370 42.9483 177.2159 91 A 4.6102 7.6347 117.9170 50.1636 21.8979 173.9816 92 P 4.3112 0.0000 0.0000 62.5772 31.9595 176.8225 93 V 4.1427 8.2319 121.9430 61.8660 31.3400 175.6809 94 T 4.3293 8.3849 117.4625 62.0799 69.4103 173.9302 95 S 4.3990 7.6312 114.9842 57.1319 65.3900 173.6859 96 A 4.0043 8.6810 123.1727 52.6296 17.9067 175.7674 97 P 4.8773 0.0000 0.0000 62.1431 33.8464 174.7955 98 E 4.6425 9.4629 120.8856 54.5246 32.0352 174.4828 99 V 4.8831 9.0441 128.3223 61.2807 33.6558 174.5152 100 K 5.4876 9.2719 127.5621 54.6858 35.8284 175.6700 101 V 5.0793 8.8120 122.2183 60.3117 34.9738 174.1929 102 R 5.2375 8.7152 121.8496 54.1623 33.2466 175.2822 103 W 4.7279 9.0092 133.4911 55.9987 30.3036 174.9426 104 P 4.2701 0.0000 0.0000 62.6821 30.4985 175.9082 105 D 4.6116 6.9455 115.6013 55.7023 40.0506 173.9679 106 T 3.8713 5.7900 112.5727 62.6206 68.9162 174.0033 107 N 4.6582 8.5482 122.6927 52.8304 38.4319 174.8467 108 L 4.6811 8.5515 121.3966 54.5352 42.4868 178.2320 109 S 4.7595 7.9750 118.3285 60.5964 62.4959 174.4012 110 P 4.2663 0.0000 0.0000 65.6596 31.0511 178.3332 111 L 4.2384 7.7761 118.4451 57.3751 41.6308 179.5736 112 Q 4.1167 8.2168 117.7887 58.0221 28.2775 177.7916 113 R 4.5475 7.6408 117.0342 55.0275 30.5851 176.0676 114 G 3.9389 8.0269 106.0260 46.8412 0.0000 174.0759 115 R 4.8137 8.0019 117.3698 53.4433 34.0820 175.6277 116 K 4.5249 8.6572 119.9594 56.4804 33.1988 176.4505 117 A 4.7394 8.9260 125.4840 50.1864 21.4444 175.4022 118 K 5.0724 8.7708 122.4015 55.5852 34.2453 176.9489 119 V 4.4053 8.9635 122.9850 60.3161 34.9254 173.7767 120 K 4.9963 8.7153 124.8714 55.0392 33.1366 175.8146 121 L 5.0020 9.3199 125.3470 52.8952 45.4752 175.3196 122 E 5.2631 8.8660 120.1932 54.6972 32.4774 175.6476 123 V 4.8020 9.3157 123.2691 61.3212 35.1663 174.1731 124 Q 5.0255 9.0880 125.3590 53.9142 33.0431 173.9090 125 L 5.0895 8.4686 124.1747 53.3613 44.8151 175.2736 126 F 5.3810 9.4537 124.5525 55.9383 43.2579 173.9972 127 C 4.8485 8.9194 120.8425 58.4733 34.7392 173.7581 128 D 4.5299 9.9639 125.5174 55.4574 37.9350 174.9925 129 G 3.9682 8.6332 106.2608 45.3193 0.0000 174.0862 130 K 4.6246 7.9101 120.1142 54.1258 33.7059 175.7050 131 L 3.9662 8.7071 125.7264 55.4923 42.5196 175.9502 132 C 4.9013 8.9332 122.5817 60.0405 31.3538 173.5322 133 A 4.9911 7.4007 118.2125 50.8286 22.4155 175.0755 134 Q 4.9068 8.8834 118.6297 54.0390 32.7728 174.4966 135 F 5.3636 9.4737 125.0064 56.5766 43.4405 173.1560 136 D 5.1668 8.2126 123.8055 52.5348 44.7950 174.8342 137 G 4.1523 9.2762 109.9833 44.3671 0.0000 171.0220 138 L 5.1361 8.7719 126.3578 53.6888 43.5487 174.6175 139 Y 5.2019 9.4311 124.8903 56.3453 40.9040 175.0347 140 V 4.6791 9.0752 122.8495 61.2327 34.4031 173.9100 141 S 5.2060 9.2019 123.3399 56.7963 64.2860 172.5684 142 V 4.5804 8.6190 127.5225 60.1988 33.6872 173.0166 143 P 4.5418 0.0000 0.0000 62.7346 32.0158 176.4428 144 K 4.1294 8.6624 121.1582 56.9671 31.9604 176.8618 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 D 8.22 4.65 0.00 2.93 2.98 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 3 E 8.15 3.78 0.00 2.11 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 2.38 2.37 0.00 4 L 8.67 4.05 0.00 1.83 1.70 0.86 0.63 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 5 L 7.88 3.95 0.00 1.87 1.64 0.96 0.67 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 6 N 8.17 4.26 0.00 2.96 2.83 0.00 0.00 6.95 7.02 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 7 R 7.99 3.86 0.00 2.24 2.19 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.00 0.00 8 L 7.47 2.44 0.00 1.15 1.27 -0.15 0.36 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 9 R 7.49 3.50 0.00 1.71 1.90 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 10 Q 7.99 3.95 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 T 7.79 3.80 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 1.21 0.00 0.00 12 W 7.90 4.25 0.00 3.46 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 13 H 8.33 4.38 0.00 3.14 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.40 0.00 4.06 4.07 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 0.00 0.00 0.00 15 T 7.65 4.44 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 1.31 0.00 0.00 16 I 8.13 4.36 1.85 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.78 0.00 0.00 17 P 0.00 4.24 0.00 2.13 2.13 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 18 V 7.78 3.67 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 1.11 0.00 0.00 0.91 0.00 0.00 19 S 8.17 4.02 0.00 3.89 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 20 E 7.32 3.67 0.00 2.02 2.21 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 2.29 2.20 0.00 21 F 7.82 4.26 0.00 3.05 3.19 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 *23 Q 8.02 4.16 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 24 I 7.68 4.20 1.69 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 0.76 0.00 0.00 25 A 9.01 5.00 1.29 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 0.00 0.00 0.00 26 P 0.00 4.75 0.00 1.92 1.97 0.00 3.64 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 1.89 1.86 0.00 27 L 8.86 4.72 0.00 1.66 1.73 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.72 4.62 0.00 3.88 3.95 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 29 F 8.71 5.50 0.00 2.89 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 30 T 8.68 4.28 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 1.15 0.00 0.00 31 D 9.46 4.22 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.90 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 0.00 0.00 0.00 33 E 8.38 5.29 0.00 2.08 1.96 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 2.28 2.45 0.00 34 L 9.13 5.34 0.00 1.86 1.61 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.26 5.49 0.00 3.83 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 36 V 9.12 5.00 2.17 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 1.09 0.00 0.00 1.19 0.00 0.00 37 S 8.99 5.02 0.00 3.97 3.68 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 38 A 8.14 4.79 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 P 0.00 4.47 0.00 2.15 2.04 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 40 L 8.72 4.06 0.00 1.80 1.70 0.93 1.01 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 41 A 7.92 3.94 1.28 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 42 P 0.00 4.26 0.00 1.66 1.33 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 43 N 7.80 5.00 0.00 2.79 2.90 0.00 0.00 7.02 7.98 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 44 I 7.59 4.43 1.90 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 1.66 0.52 1.02 0.00 0.00 45 N 8.19 5.05 0.00 2.93 3.09 0.00 0.00 7.02 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 46 L 8.56 3.76 0.00 1.46 1.48 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.38 4.60 0.00 3.26 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.06 4.30 0.00 3.38 3.43 0.00 5.61 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.21 4.17 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 1.31 0.00 0.00 *51 F 8.01 4.89 0.00 3.23 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 52 A 8.43 3.87 0.76 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 0.00 0.00 53 G 5.38 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.51 4.22 0.00 4.15 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 55 I 7.69 3.70 2.29 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.99 0.00 0.00 56 Y 7.80 4.11 0.00 3.05 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 57 T 8.19 4.02 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 1.11 0.00 0.00 58 I 7.72 3.78 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.81 0.00 0.00 *60 T 7.82 3.94 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 1.09 0.00 0.00 61 L 7.73 3.91 0.00 1.33 0.54 0.29 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.62 4.18 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 1.28 0.00 0.00 63 G 7.87 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.59 4.28 0.00 3.66 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 65 G 9.05 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 *67 V 7.78 3.78 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 0.95 0.00 0.00 0.88 0.00 0.00 68 W 7.92 3.64 0.00 2.46 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 69 L 8.04 3.64 0.00 1.23 1.14 0.12 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.32 3.51 0.00 1.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 1.21 1.16 0.00 71 Q 7.76 3.76 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 72 Q 7.36 3.57 0.00 1.63 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 73 L 7.55 3.90 0.00 1.57 1.63 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.46 4.20 0.00 1.61 1.54 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.70 4.08 0.00 2.87 2.79 0.00 0.00 6.70 7.17 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 76 V 7.67 4.50 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 0.69 0.00 0.00 0.85 0.00 0.00 77 D 7.98 4.86 0.00 2.53 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 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 0.00 0.00 0.00 79 D 8.78 4.85 0.00 2.71 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 80 I 8.58 4.64 1.81 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.96 0.00 0.00 81 V 9.11 4.68 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 1.09 0.00 0.00 1.07 0.00 0.00 82 L 8.89 4.34 0.00 1.65 1.60 0.18 1.18 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 83 A 8.92 4.55 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 84 D 7.64 4.74 0.00 2.61 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 85 A 8.21 4.93 1.03 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 86 H 8.82 4.85 0.00 3.11 3.09 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.37 5.06 2.10 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 0.59 0.89 0.95 0.00 0.00 88 R 8.92 4.57 0.00 1.66 1.75 0.00 3.15 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 89 Y 8.74 4.68 0.00 2.84 2.90 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 90 L 8.96 4.52 0.00 1.62 1.72 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.63 4.61 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 92 P 0.00 4.31 0.00 2.08 2.02 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 93 V 8.23 4.14 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 0.91 0.00 0.00 0.98 0.00 0.00 94 T 8.38 4.33 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 1.24 0.00 0.00 95 S 7.63 4.40 0.00 3.97 3.88 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 96 A 8.68 4.00 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 97 P 0.00 4.88 0.00 2.13 2.12 0.00 3.95 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 98 E 9.46 4.64 0.00 2.05 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 0.00 2.27 2.27 0.00 99 V 9.04 4.88 2.18 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 0.88 0.00 0.00 0.93 0.00 0.00 100 K 9.27 5.49 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.50 7.81 101 V 8.81 5.08 2.18 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 0.82 0.00 0.00 1.16 0.00 0.00 102 R 8.72 5.24 0.00 1.78 1.96 0.00 3.27 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 103 W 9.01 4.73 0.00 3.48 3.07 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 0.00 0.00 0.00 104 P 0.00 4.27 0.00 2.00 2.08 0.00 3.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.79 0.00 105 D 6.95 4.61 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 5.79 3.87 3.62 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 1.15 0.00 0.00 107 N 8.55 4.66 0.00 2.86 2.85 0.00 0.00 6.01 7.79 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 0.00 108 L 8.55 4.68 0.00 1.78 1.73 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.98 4.76 0.00 4.05 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 0.00 110 P 0.00 4.27 0.00 2.20 2.17 0.00 3.70 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 2.14 2.21 0.00 111 L 7.78 4.24 0.00 1.87 1.71 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.22 4.12 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 113 R 7.64 4.55 0.00 1.91 1.94 0.00 3.34 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 114 G 8.03 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 0.00 0.00 0.00 115 R 8.00 4.81 0.00 1.81 1.81 0.00 3.30 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 116 K 8.66 4.52 0.00 1.67 1.77 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.47 7.81 117 A 8.93 4.74 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 0.00 118 K 8.77 5.07 0.00 1.67 1.77 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 119 V 8.96 4.41 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 1.00 0.00 0.00 0.70 0.00 0.00 120 K 8.72 5.00 0.00 1.63 1.79 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 121 L 9.32 5.00 0.00 1.88 1.72 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.87 5.26 0.00 1.88 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 2.22 2.29 0.00 123 V 9.32 4.80 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 1.00 0.00 0.00 1.04 0.00 0.00 124 Q 9.09 5.03 0.00 2.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 125 L 8.47 5.09 0.00 1.60 1.37 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.45 5.38 0.00 3.03 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 0.00 127 C 8.92 4.85 0.00 2.98 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 0.00 128 D 9.96 4.53 0.00 2.91 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 0.00 129 G 8.63 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 0.00 130 K 7.91 4.62 0.00 2.00 1.79 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.54 7.81 131 L 8.71 3.97 0.00 1.59 1.57 0.31 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.93 4.90 0.00 2.81 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 0.00 133 A 7.40 4.99 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 134 Q 8.88 4.91 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 135 F 9.47 5.36 0.00 2.90 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 0.00 136 D 8.21 5.17 0.00 2.48 2.39 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 0.00 137 G 9.28 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 0.00 138 L 8.77 5.14 0.00 1.73 1.65 1.01 0.86 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 0.00 139 Y 9.43 5.20 0.00 3.03 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 0.00 140 V 9.08 4.68 2.16 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 1.08 0.00 0.00 0.98 0.00 0.00 141 S 9.20 5.21 0.00 3.96 3.74 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 0.00 142 V 8.62 4.58 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 1.00 0.00 0.00 0.99 0.00 0.00 143 P 0.00 4.54 0.00 1.99 2.01 0.00 3.76 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 2.15 2.25 0.00 144 K 8.66 4.13 0.00 1.76 1.76 0.00 1.84 0.00 0.00 2.00 0.00 0.00 3.23 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.53 7.81 * Residues marked with a * may have inaccurate shift predictions.