NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.7004 8.2233 120.4819 53.8649 42.4388 174.2981 6 N 4.5072 8.7542 121.7332 52.7268 39.4154 173.3902 7 K 4.5333 9.2551 122.1140 54.3321 36.7292 174.5370 8 L 4.8525 8.2333 125.3660 54.1974 43.7279 174.9563 9 F 5.3939 9.4909 125.3526 55.6523 42.1677 174.0417 10 L 4.3786 8.9247 125.9392 53.6558 43.6128 175.1991 11 V 4.9760 8.6572 126.4771 61.2756 34.9224 173.3452 12 Y 5.2662 9.6237 129.5721 56.5019 40.2213 174.5697 13 V 4.7211 8.7134 120.5809 59.4465 35.3396 175.2040 14 G 3.9839 8.6769 109.7145 44.3674 0.0000 173.0572 15 G 3.5140 7.4776 107.2665 45.7147 0.0000 171.9770 16 T 4.8495 7.8629 112.7822 60.2804 70.3540 173.6560 17 A 4.8694 7.9721 125.3385 49.3513 22.2838 173.9748 18 P 4.4387 0.0000 0.0000 64.2041 31.6845 177.3275 19 G 3.9090 9.1228 111.1216 45.0653 0.0000 172.8569 20 A 4.5654 7.4282 122.2703 51.0935 20.0519 177.4741 21 N 4.5403 8.8326 119.4826 54.8776 39.1497 175.3075 22 I 4.5451 7.2886 109.0877 58.1326 40.2024 174.3319 23 E 4.3131 8.5490 121.2598 56.5514 30.7208 175.4704 24 L 5.0059 9.5679 126.3049 53.6000 45.2714 175.0289 25 H 5.5038 8.7781 116.3456 54.4730 32.6106 172.3812 26 D 5.0611 9.2384 120.8130 52.7526 45.4849 173.6944 27 I 4.8393 8.3518 122.8074 59.7595 38.8129 175.3867 28 R 4.7021 8.9420 125.7827 54.3053 33.8438 174.4982 29 F 5.1546 8.7424 120.1524 55.9988 41.0256 175.5710 30 V 4.8306 9.0343 116.0028 59.6459 36.3242 174.4402 31 V 4.8946 8.5500 123.1525 61.3414 33.9020 174.8640 32 G 4.0813 8.5633 112.8313 45.5156 0.0000 172.6486 33 P 5.0451 0.0000 0.0000 64.2481 32.5713 176.7531 34 S 4.3321 7.1285 115.3653 57.8570 66.2126 176.9640 *36 E 2.5400 8.9705 117.3661 55.5880 30.6107 176.6638 37 E 4.1172 7.3386 114.5494 57.4202 29.7229 177.2213 38 T 4.3331 7.1156 108.7054 61.8979 70.2250 176.0365 39 Y 4.3394 7.4865 121.5430 61.1402 37.8307 176.6883 40 P 4.2632 0.0000 0.0000 65.6980 31.5701 178.5479 41 A 4.0639 7.9786 118.9456 54.8749 18.1857 179.6094 42 I 3.6849 8.0260 118.7375 64.7223 36.9897 178.8351 43 R 3.9581 7.7945 117.4941 59.1635 29.9642 178.7558 44 K 4.2028 8.1970 118.6304 58.9719 32.3059 178.2673 45 G 4.0113 7.7963 103.0148 43.7612 0.0000 173.5204 46 W 4.5304 7.3533 132.5858 56.9469 30.9248 176.1149 47 F 4.2309 8.2444 121.0663 58.1704 38.6174 176.4231 48 G 3.3232 5.3800 110.9027 45.2208 0.0000 173.0546 49 T 4.3090 8.6051 121.5417 62.9937 69.4586 175.1891 50 Q 4.0932 8.7338 125.0263 58.4659 29.2076 176.6002 51 K 4.0061 7.8520 119.3577 57.6783 32.4151 176.7342 52 G 3.8532 8.8550 114.2855 44.7671 0.0000 172.6966 53 L 3.7123 7.3333 122.8467 55.7476 42.8691 175.7142 54 H 5.0199 8.5274 121.1536 53.4733 32.6407 171.9137 55 L 4.5958 8.7278 122.3014 54.6773 42.9212 176.6018 56 D 5.3941 9.4302 125.4097 54.6665 44.0043 175.9856 57 S 5.4305 8.4089 110.5085 58.3359 65.9431 174.7607 58 F 5.7694 8.4446 115.1194 56.4727 41.7847 173.3578 59 V 5.1184 9.2276 118.8188 60.5494 34.8898 173.3631 60 H 4.6411 9.9650 126.0658 56.2753 30.2057 174.5388 61 L 4.5609 8.6976 127.9457 54.0877 41.6963 176.4250 62 H 4.8169 9.4768 119.5890 55.4476 30.5555 173.5567 63 H 5.2631 8.0634 115.9380 54.0514 32.6912 172.6956 64 V 4.4040 8.4560 122.6342 62.3949 34.1039 175.0661 65 D 4.6605 10.1917 127.3829 55.5133 38.5154 174.6609 66 G 3.8241 8.5932 105.6160 44.9412 0.0000 172.4905 67 Y 5.0907 7.9929 118.2475 55.9008 40.5945 175.1611 68 R 4.2502 9.3183 125.8164 56.1318 31.5475 175.1974 69 I 4.5950 8.3117 127.7861 61.1449 38.0668 175.0327 70 H 5.0793 9.4982 124.2029 53.9302 32.1680 173.2034 71 L 5.4800 8.5279 120.4490 53.3464 44.5555 175.9396 72 T 4.8010 8.7225 112.7212 60.0810 72.2644 175.3478 73 S 4.3714 8.9465 118.1862 60.5480 63.3241 174.6637 74 E 4.5819 7.9452 117.3354 54.3179 31.9193 175.8117 75 A 3.6943 7.4539 123.9174 50.0234 20.9374 174.8836 *79 P 4.1212 0.0000 0.0000 62.8227 31.3434 175.3289 80 E 4.6978 8.2972 123.1084 54.0459 32.6446 175.2686 81 E 4.0913 8.9514 126.1024 58.7724 30.1248 176.2466 82 K 4.8945 7.7798 115.7823 54.6557 35.0752 175.4077 83 R 4.6599 9.2973 121.4594 54.0614 35.3120 173.9123 84 L 4.7016 8.0592 122.3634 54.9347 43.5024 174.8291 85 Y 5.0774 9.1682 123.9940 56.1434 41.6057 174.1462 86 F 5.1668 9.4732 127.2153 56.9176 41.5167 174.3952 87 V 4.2385 8.1782 126.1857 60.9173 34.1984 173.3882 88 N 4.7806 8.0158 126.7427 52.0347 40.5394 174.3231 89 F 4.9115 8.4149 124.5262 56.2909 40.3065 176.1011 90 G 4.0593 8.3252 108.7167 44.7696 0.0000 173.4070 *100 E 3.9987 7.9083 119.0827 54.5605 32.2057 174.2881 101 Y 3.5403 7.8572 114.4069 59.0001 34.2569 168.1807 102 H 4.6666 7.9994 119.0668 56.7601 32.6377 174.3914 103 D 4.9148 8.1673 117.0303 53.6996 39.6960 174.7911 104 F 5.1961 7.3969 113.8488 56.8603 41.1833 172.4521 105 T 4.7249 8.5417 112.4152 61.1402 71.3021 171.9654 106 V 5.0779 8.4947 123.8950 61.2882 34.0201 174.8253 107 V 4.8661 9.0681 119.7864 59.7763 36.5964 174.2150 108 V 4.8403 8.4573 121.8192 61.4643 32.7366 174.7587 109 A 4.7429 8.8742 128.4318 51.0196 22.6826 176.4726 110 D 4.6828 9.0033 117.9678 54.6061 40.4681 177.4456 111 S 4.7439 7.6858 113.3441 54.9341 67.6332 172.9983 112 P 3.6235 0.0000 0.0000 65.6500 31.1267 179.1596 113 Q 3.8936 7.7879 116.6033 58.9957 28.8441 178.6819 114 S 4.1402 7.8449 114.3160 60.9672 62.9886 176.3600 115 A 3.8358 7.6723 124.8409 54.9389 18.0088 179.7271 116 K 3.8905 7.7943 116.8330 59.6168 31.9477 179.6933 117 Q 4.0017 7.9406 117.9619 59.0022 28.4247 178.8107 118 L 4.0405 7.8009 118.7616 57.6223 41.6976 179.1107 119 A 4.2532 8.0999 120.9448 55.2387 18.4311 179.9216 120 R 3.9920 8.2068 116.4885 59.2879 29.9540 178.8189 121 A 4.3069 7.7624 118.8492 54.0396 18.5281 178.6313 122 Q 4.2683 7.6493 115.0302 56.6765 29.1281 177.0181 123 F 4.3096 7.7375 121.8029 60.4081 39.8615 175.9280 124 S 4.0375 7.8806 111.3470 59.0868 65.0089 174.1344 *142 V 3.7110 7.6171 119.6025 62.6254 31.3961 173.6531 143 D 5.0460 8.4009 127.6966 52.5269 43.9142 174.7188 144 D 5.0713 8.0636 116.8153 53.0422 44.5615 174.5587 145 C 5.3386 8.6528 118.0980 56.4123 33.4140 172.7103 146 L 4.8583 9.2878 121.7246 53.4676 45.2437 174.6501 147 C 4.1662 8.7321 126.3863 58.6804 32.3297 173.5445 148 V 3.9208 8.3888 128.5137 61.3337 29.7142 174.3721 149 D 4.6486 8.2519 124.6243 52.3347 41.6473 175.9234 150 L 4.7397 7.6984 120.4548 52.7458 44.2766 175.4620 151 V 4.1581 8.3782 125.5176 62.2178 34.2634 174.9248 152 D 4.3619 9.6994 129.1146 55.8940 38.1604 173.2437 153 N 4.1323 8.0288 107.3398 54.4741 36.7968 174.1752 154 H 5.0803 7.8411 114.4545 54.2104 32.6601 172.5344 155 Y 4.6951 9.2873 121.2301 57.3029 39.5941 174.6840 156 V 4.7103 8.7626 124.9947 61.8776 32.5555 175.0737 157 T 4.9822 8.7633 118.2410 59.8559 72.0348 172.8865 158 L 5.4055 8.9255 122.5825 53.0332 44.8594 175.5833 159 E 4.8046 9.1350 123.5488 54.1082 32.5767 174.5173 160 F 4.2830 9.1223 130.2912 58.3194 39.5625 174.2025 161 D 4.4176 8.4084 123.7850 52.1894 40.5147 176.6101 162 G 3.6001 7.1769 107.5775 45.1485 0.0000 173.8414 163 E 3.9928 7.9764 120.0911 56.3506 29.9911 176.1014 164 Q 4.5869 8.2607 121.0731 54.3159 31.2667 175.1940 165 Q 4.3859 8.2699 120.6033 53.5668 31.4914 172.9284 166 P 4.3682 0.0000 0.0000 62.9377 32.0507 177.1571 167 L 4.4930 8.2822 124.8773 53.9843 40.4078 175.7141 168 V 4.4221 7.3337 113.3241 57.9011 35.8011 174.1369 169 P 4.5095 0.0000 0.0000 62.8899 31.7216 176.7746 170 D 4.5092 8.6705 122.6287 56.6888 41.1356 176.9056 171 W 5.0680 7.1836 126.9184 55.4779 33.7788 173.2400 172 K 4.0692 8.0571 122.1420 54.0176 36.1740 178.0110 173 G 3.8995 6.2179 109.5964 46.0823 0.0000 174.1268 174 Y 4.9110 8.5722 129.9775 56.2299 41.3319 173.5330 175 Q 4.3854 9.0937 128.6016 53.4204 31.4850 171.8713 176 P 4.3249 0.0000 0.0000 62.3992 32.0627 176.3778 177 L 3.6278 8.1619 124.7031 53.5952 42.0852 175.6904 178 P 4.3380 0.0000 0.0000 62.6499 32.1108 176.6472 179 E 3.9391 8.5840 121.5019 60.6700 29.8725 177.3878 180 G 3.6458 8.2510 110.3202 45.3183 0.0000 173.3945 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 D 8.22 4.70 0.00 2.62 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 6 N 8.75 4.51 0.00 2.65 2.65 0.00 0.00 6.95 6.73 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 7 K 9.26 4.53 0.00 1.26 0.80 0.00 1.64 0.00 0.00 1.13 0.00 0.00 2.68 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 1.37 7.81 8 L 8.23 4.85 0.00 1.76 1.69 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.49 5.39 0.00 2.99 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 10 L 8.92 4.38 0.00 1.22 1.48 0.48 0.54 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 11 V 8.66 4.98 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 0.96 0.00 0.00 12 Y 9.62 5.27 0.00 3.14 3.17 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 13 V 8.71 4.72 1.65 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 0.66 0.00 0.00 1.04 0.00 0.00 14 G 8.68 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 15 G 7.48 3.51 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 0.00 0.00 0.00 16 T 7.86 4.85 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 1.25 0.00 0.00 17 A 7.97 4.87 1.13 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 0.00 0.00 18 P 0.00 4.44 0.00 2.05 2.02 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 19 G 9.12 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 0.00 0.00 0.00 20 A 7.43 4.57 1.45 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 0.00 0.00 21 N 8.83 4.54 0.00 2.76 2.91 0.00 0.00 6.82 7.45 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 22 I 7.29 4.55 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.96 0.00 0.00 23 E 8.55 4.31 0.00 2.20 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 2.46 2.67 0.00 24 L 9.57 5.01 0.00 1.93 1.86 1.14 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.78 5.50 0.00 3.04 2.70 0.00 5.84 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 26 D 9.24 5.06 0.00 3.08 2.79 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 27 I 8.35 4.84 1.48 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.76 0.02 0.00 0.00 28 R 8.94 4.70 0.00 1.62 1.79 0.00 3.36 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 29 F 8.74 5.15 0.00 2.82 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 30 V 9.03 4.83 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 0.71 0.00 0.00 1.05 0.00 0.00 31 V 8.55 4.89 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 0.54 0.00 0.00 0.94 0.00 0.00 32 G 8.56 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 33 P 0.00 5.05 0.00 2.17 2.11 0.00 3.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 34 S 7.13 4.33 0.00 3.80 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 *36 E 8.97 2.54 0.00 1.69 1.63 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 1.82 1.96 0.00 37 E 7.34 4.12 0.00 2.01 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 2.25 2.10 0.00 38 T 7.12 4.33 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 1.14 0.00 0.00 39 Y 7.49 4.34 0.00 2.89 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 40 P 0.00 4.26 0.00 2.16 2.11 0.00 3.54 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 2.11 2.17 0.00 41 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 42 I 8.03 3.68 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.81 0.00 0.00 43 R 7.79 3.96 0.00 1.95 2.12 0.00 3.11 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 44 K 8.20 4.20 0.00 1.94 1.87 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 45 G 7.80 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 46 W 7.35 4.53 0.00 3.30 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 47 F 8.24 4.23 0.00 2.95 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 48 G 5.38 3.32 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 0.00 49 T 8.61 4.31 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 1.25 0.00 0.00 50 Q 8.73 4.09 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.09 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 51 K 7.85 4.01 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 52 G 8.86 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 53 L 7.33 3.71 0.00 1.42 1.23 -0.63 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 54 H 8.53 5.02 0.00 2.54 2.81 0.00 5.50 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.73 4.60 0.00 1.86 1.72 0.83 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.43 5.39 0.00 2.91 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 57 S 8.41 5.43 0.00 4.01 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 58 F 8.44 5.77 0.00 3.28 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 59 V 9.23 5.12 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 1.01 0.00 0.00 1.14 0.00 0.00 60 H 9.96 4.64 0.00 3.19 3.53 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.70 4.56 0.00 1.64 1.66 1.16 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 H 9.48 4.82 0.00 3.23 3.34 0.00 5.41 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.06 5.26 0.00 3.06 3.22 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.46 4.40 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 1.13 0.00 0.00 1.02 0.00 0.00 65 D 10.19 4.66 0.00 3.06 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 66 G 8.59 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 0.00 0.00 0.00 67 Y 7.99 5.09 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 9.32 4.25 0.00 1.97 1.73 0.00 2.81 0.00 0.00 2.98 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 69 I 8.31 4.59 1.84 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 1.24 0.67 0.91 0.00 0.00 70 H 9.50 5.08 0.00 3.14 3.18 0.00 5.55 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 71 L 8.53 5.48 0.00 1.50 1.58 0.96 0.80 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 72 T 8.72 4.80 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 1.24 0.00 0.00 73 S 8.95 4.37 0.00 3.91 3.99 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 74 E 7.95 4.58 0.00 1.88 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 0.00 2.20 2.27 0.00 75 A 7.45 3.69 0.54 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 *79 P 0.00 4.12 0.00 2.21 2.15 0.00 3.66 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 80 E 8.30 4.70 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 81 E 8.95 4.09 0.00 2.06 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 2.39 2.34 0.00 82 K 7.78 4.89 0.00 1.46 1.53 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.43 7.81 83 R 9.30 4.66 0.00 1.58 1.39 0.00 3.00 0.00 0.00 3.06 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 84 L 8.06 4.70 0.00 1.65 1.49 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.17 5.08 0.00 2.92 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 86 F 9.47 5.17 0.00 3.01 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 87 V 8.18 4.24 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 0.46 0.00 0.00 0.82 0.00 0.00 88 N 8.02 4.78 0.00 2.70 2.56 0.00 0.00 6.76 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 89 F 8.41 4.91 0.00 3.15 2.85 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 90 G 8.33 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 *100 E 7.91 4.00 0.00 1.89 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 2.13 2.28 0.00 101 Y 7.86 3.54 0.00 3.06 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 0.00 0.00 0.00 102 H 8.00 4.67 0.00 3.36 3.33 0.00 5.92 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 0.00 103 D 8.17 4.91 0.00 3.09 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 0.00 104 F 7.40 5.20 0.00 2.77 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 0.00 105 T 8.54 4.72 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 1.20 0.00 0.00 106 V 8.49 5.08 2.29 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 1.06 0.00 0.00 1.41 0.00 0.00 107 V 9.07 4.87 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 0.71 0.00 0.00 0.98 0.00 0.00 108 V 8.46 4.84 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 0.05 0.00 0.00 0.89 0.00 0.00 109 A 8.87 4.74 1.13 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 0.00 0.00 110 D 9.00 4.68 0.00 2.81 2.82 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 0.00 111 S 7.69 4.74 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 0.00 112 P 0.00 3.62 0.00 2.11 2.11 0.00 3.56 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 2.15 2.35 0.00 113 Q 7.79 3.89 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 114 S 7.84 4.14 0.00 4.02 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 0.00 115 A 7.67 3.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 3.89 0.00 1.96 1.84 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.55 7.81 117 Q 7.94 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 118 L 7.80 4.04 0.00 1.84 1.76 0.96 0.84 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 0.00 119 A 8.10 4.25 1.41 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 0.00 0.00 120 R 8.21 3.99 0.00 2.12 2.03 0.00 3.24 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 121 A 7.76 4.31 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 0.00 122 Q 7.65 4.27 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 123 F 7.74 4.31 0.00 2.79 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 0.00 124 S 7.88 4.04 0.00 3.91 3.69 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 *142 V 7.62 3.71 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 0.82 0.00 0.00 0.93 0.00 0.00 143 D 8.40 5.05 0.00 2.67 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 0.00 144 D 8.06 5.07 0.00 2.79 2.43 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 0.00 145 C 8.65 5.34 0.00 3.04 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 0.00 146 L 9.29 4.86 0.00 1.83 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 147 C 8.73 4.17 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 0.00 148 V 8.39 3.92 1.73 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 0.35 0.00 0.00 0.19 0.00 0.00 149 D 8.25 4.65 0.00 2.82 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 0.00 150 L 7.70 4.74 0.00 1.40 1.39 0.76 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.38 4.16 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 0.88 0.00 0.00 152 D 9.70 4.36 0.00 2.85 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 0.00 153 N 8.03 4.13 0.00 2.81 2.81 0.00 0.00 6.99 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 0.00 154 H 7.84 5.08 0.00 3.26 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 9.29 4.70 0.00 2.97 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 0.00 156 V 8.76 4.71 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 0.75 0.00 0.00 0.90 0.00 0.00 157 T 8.76 4.98 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 1.29 0.00 0.00 158 L 8.93 5.41 0.00 1.56 1.74 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 159 E 9.14 4.80 0.00 2.15 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 2.26 2.29 0.00 160 F 9.12 4.28 0.00 2.58 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 0.00 161 D 8.41 4.42 0.00 2.51 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 G 7.18 3.60 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 0.00 0.00 0.00 163 E 7.98 3.99 0.00 1.99 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 2.20 2.15 0.00 164 Q 8.26 4.59 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 165 Q 8.27 4.39 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 166 P 0.00 4.37 0.00 2.23 2.06 0.00 3.83 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 2.01 1.97 0.00 167 L 8.28 4.49 0.00 1.71 1.73 1.00 1.14 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 0.00 168 V 7.33 4.42 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 0.77 0.00 0.00 0.92 0.00 0.00 169 P 0.00 4.51 0.00 1.77 1.89 0.00 3.29 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.00 170 D 8.67 4.51 0.00 2.50 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 0.00 171 W 7.18 5.07 0.00 3.08 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 0.00 0.00 0.00 0.00 172 K 8.06 4.07 0.00 1.59 1.37 0.00 1.61 0.00 0.00 1.48 0.00 0.00 2.63 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 1.07 7.81 173 G 6.22 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 0.00 174 Y 8.57 4.91 0.00 2.95 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 0.00 175 Q 9.09 4.39 0.00 2.19 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.74 0.00 0.00 0.00 0.00 0.00 1.99 2.19 0.00 176 P 0.00 4.32 0.00 1.89 1.89 0.00 3.71 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 2.10 2.09 0.00 177 L 8.16 3.63 0.00 1.29 1.22 0.47 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.34 0.00 2.03 1.96 0.00 3.37 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 179 E 8.58 3.94 0.00 1.93 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 2.22 0.00 180 G 8.25 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 * Residues marked with a * may have inaccurate shift predictions.