NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4729 8.1933 115.4121 57.6959 64.4398 174.3506 5 E 3.8565 8.8656 121.3222 58.7616 29.4705 177.2419 6 L 3.8792 8.0642 119.7673 57.8587 43.4828 177.6030 7 E 3.9847 8.6308 119.9779 59.3287 29.8528 178.6961 8 K 3.8232 8.3614 117.3479 57.9796 32.6934 178.2772 *10 L 4.1930 7.8020 119.8042 54.4045 43.2853 177.7831 11 K 4.1671 7.7064 115.8136 56.2318 32.4222 177.6674 12 G 3.9531 8.1833 106.8726 45.3732 0.0000 173.5708 13 E 4.2558 7.8869 118.7332 55.6837 30.1075 176.3342 14 H 4.3320 8.6664 120.6377 56.3766 30.4793 174.4709 15 F 4.9422 7.6236 119.3815 54.6791 41.2050 173.8960 16 D 4.4429 10.0143 123.0688 53.5952 40.6928 177.5441 17 G 3.7947 8.6526 116.2967 47.6199 0.0000 173.1581 18 A 4.8753 8.3384 120.9735 50.9423 19.6602 177.2750 19 S 4.1206 7.8804 113.3429 59.3775 64.6850 175.2394 20 A 4.0244 8.7941 127.3910 55.5339 18.0862 179.8543 21 E 3.8718 8.0882 116.8765 59.4677 29.9186 178.8153 22 I 3.6873 7.7440 119.3172 64.4085 36.7867 177.5537 23 E 3.9885 8.7394 120.2926 59.6465 29.3783 178.9191 24 A 4.0556 8.1623 120.4728 54.8976 18.3161 179.4208 25 L 3.9318 7.9941 119.0074 58.3169 42.2589 179.1003 26 R 3.9032 8.7341 119.0292 59.6936 29.9678 178.7136 27 S 4.1495 8.3043 114.9426 61.4174 62.7500 176.2953 28 Q 3.9214 8.2903 122.1390 59.2432 28.7207 178.3524 29 A 4.0420 8.4288 122.1800 55.1122 18.2754 179.8106 30 G 3.5287 8.1830 104.2393 47.7615 0.0000 175.7845 31 R 3.9079 8.1247 121.1327 59.4202 30.1248 178.7360 32 L 3.9849 8.0839 118.7598 57.4842 41.4841 179.5544 33 K 3.8813 8.3325 118.9654 59.3703 32.0084 179.0898 34 L 3.9266 7.6335 120.4461 58.3441 41.8839 178.8859 35 E 3.9929 7.9677 117.0754 59.4476 29.7736 179.1715 36 I 3.8540 8.3427 120.3359 64.4306 36.9481 178.2136 37 N 4.5239 8.4665 116.6468 55.3563 38.4244 176.5129 38 Q 4.4958 7.6148 117.4170 54.5490 29.4126 175.4015 39 S 4.2793 7.3759 115.7122 58.3187 62.8360 173.8443 40 L 4.5826 8.5137 125.6102 54.3655 42.3934 175.8323 41 D 4.8468 7.7234 119.6015 51.7436 43.4643 175.5614 42 E 3.9185 8.8332 127.4378 59.4522 29.8512 178.4310 43 A 3.9766 7.9320 120.0906 55.3382 18.6160 179.1396 44 E 3.9768 8.8611 117.8906 59.0980 29.6346 179.0012 45 R 3.8951 8.0700 119.2603 59.4164 30.1549 177.8210 46 Y 4.0872 8.1618 119.2883 60.4632 38.6598 177.6780 47 A 4.0309 8.1142 121.7442 55.3183 18.5457 179.6971 48 L 3.8856 7.8562 117.3589 57.8886 41.6617 179.7659 49 Q 3.5727 7.8865 118.1027 58.6480 28.3609 178.6606 50 R 3.9750 7.4092 117.7499 58.3077 30.1706 178.2365 51 E 4.1100 7.3863 118.2605 58.5454 29.4072 178.5070 52 L 3.8696 7.5289 120.4840 57.2733 42.1685 177.2343 53 F 4.8438 6.6725 116.1410 56.7599 39.8696 176.1007 54 G 3.8843 8.5100 110.1801 49.7458 0.0000 173.6409 55 H 4.9746 7.9681 118.1163 54.7970 33.5787 172.7484 56 L 4.5523 8.0083 126.3920 53.3823 44.1268 175.6554 57 G 4.0213 8.7026 114.4453 45.1290 0.0000 170.8897 58 H 4.1922 9.0243 120.1956 56.8666 30.7392 175.5215 59 K 3.4994 8.2366 123.7554 57.5838 29.5005 175.4098 60 S 4.8636 7.5833 113.8197 57.6767 65.1170 173.3859 61 C 4.8221 9.1465 120.8972 57.8839 35.0111 172.7299 62 V 4.5281 8.3480 125.3595 60.9535 33.1415 174.7268 63 Q 4.3733 8.6227 128.9330 54.8874 29.0620 175.0090 64 P 4.6227 0.0000 0.0000 61.6727 32.4435 174.1492 65 P 4.8052 0.0000 0.0000 62.8113 32.3260 175.0925 66 F 4.8559 9.1676 124.1805 56.7057 42.0377 173.7757 67 H 4.9929 8.2784 122.8700 54.1076 31.6798 172.7937 68 C 4.6787 8.3834 116.1977 58.2401 32.3085 172.9506 69 E 4.1944 9.2583 116.1079 57.6449 30.4442 177.3921 70 F 4.6989 8.6349 115.1983 56.7201 41.3275 176.9755 71 G 4.5648 9.2725 113.6252 46.6858 0.0000 175.8760 72 K 4.2191 8.0326 117.0744 58.0438 32.4416 177.4702 73 T 4.2836 7.9148 112.5626 62.0116 68.2526 173.0999 74 I 4.8510 7.8402 123.0032 60.7364 39.1466 174.7765 75 R 5.0436 8.9592 126.2191 54.3583 33.3702 174.6270 76 I 4.6512 8.3347 124.6606 59.5250 40.0953 176.2631 77 G 4.2523 8.3236 115.4094 46.3039 0.0000 172.0303 78 D 4.8258 10.6100 120.5471 54.1924 42.8738 176.7176 79 H 4.3071 8.3374 116.9305 57.3679 27.0805 174.6296 80 T 4.7862 8.2128 115.8993 61.8583 70.9666 173.4258 81 F 5.2103 8.9551 128.9337 56.5722 41.7099 174.1250 82 I 4.4674 8.2130 127.1339 59.0695 39.6978 173.6773 83 N 4.4728 8.8852 131.2827 53.3072 39.2856 175.4927 *85 N 4.7060 9.0547 113.2919 53.1668 41.0667 172.0649 86 V 4.4490 7.8827 116.6178 62.1047 33.4475 174.7640 87 V 4.9159 8.1177 125.9336 59.8886 35.7001 173.8967 *89 L 4.4970 8.2538 120.4075 54.2746 42.8715 177.6589 90 D 5.3933 8.6021 126.6535 52.6622 40.1650 178.3088 91 G 4.0428 8.7563 110.8924 49.0700 0.0000 173.8179 92 A 4.9107 7.4737 119.2783 48.7651 22.5487 174.5419 93 P 5.1423 0.0000 0.0000 62.5720 32.8992 175.7240 94 I 5.1273 8.5149 123.1684 59.9153 40.5056 174.4920 95 T 4.9793 9.0804 124.1022 61.7310 71.6908 173.1238 96 I 4.8496 8.9803 127.5498 59.5984 40.3544 176.3170 97 G 4.3991 8.4710 114.2397 45.3230 0.0000 172.7655 98 D 4.7966 9.1072 119.5596 54.9480 42.2202 176.8535 99 H 4.3752 8.6435 117.2420 56.9856 27.1801 174.4481 100 V 4.5769 8.1593 118.7717 61.9184 33.5630 174.4786 101 L 5.3868 9.2371 126.9121 53.1201 44.9822 175.4225 102 I 5.0659 8.7765 124.8527 59.3710 39.9639 175.9733 103 G 4.3301 9.1839 114.9874 44.8124 0.0000 171.0609 104 P 4.4421 0.0000 0.0000 63.8748 31.8104 177.5700 105 S 4.7950 8.7779 115.0069 59.2203 60.6634 171.8971 106 T 4.4302 7.4195 116.4705 63.9147 69.6753 173.2906 107 Q 5.0594 9.3229 122.3872 54.1835 32.6598 174.5103 108 F 4.7984 9.0376 122.1110 56.0484 41.4742 174.5741 109 Y 5.0653 8.7178 123.7678 56.6715 38.6998 176.2513 110 T 4.5013 9.1499 115.2548 62.2005 70.3317 174.4109 111 A 5.2432 7.9760 123.9389 51.1384 21.2200 176.3467 112 S 4.3770 8.4082 113.5295 58.1782 66.6322 172.4427 113 H 5.2805 8.3893 115.3988 53.9745 32.7938 173.6719 114 S 4.3314 8.6471 113.9557 58.2963 62.7826 174.2899 115 L 4.0672 8.3442 124.8661 57.0362 41.9537 176.8120 116 D 4.5300 8.3728 119.2892 53.6913 40.5166 176.0754 117 Y 4.4092 8.8779 126.5606 59.9727 37.9460 178.4957 118 R 3.6071 7.4151 117.6733 57.4725 30.2703 177.0113 119 R 4.5540 8.1111 116.8972 56.0872 30.4060 176.8808 120 R 4.7102 7.7076 114.3248 55.7231 31.9693 176.9926 121 Q 4.0965 8.2295 119.1224 57.9051 28.4586 176.1370 122 A 4.4111 9.1332 120.3874 51.0846 19.1453 176.6346 123 W 3.9535 8.2167 115.6392 58.4912 27.2100 174.6973 124 E 4.1132 7.6062 117.6413 57.5476 29.3659 177.0173 125 T 4.9336 8.3558 118.7958 61.8624 72.6925 172.8691 126 I 4.5659 8.5505 126.0045 59.4110 40.6265 173.8125 127 C 5.6027 8.7707 125.9078 58.1218 31.0565 173.4098 128 K 4.7500 9.1372 121.2476 53.8560 36.2908 174.2137 129 P 4.7678 0.0000 0.0000 63.3112 32.6796 175.0634 130 I 4.8596 8.6299 123.5139 59.5963 40.3171 174.7940 131 V 4.7720 8.9310 125.6661 61.2463 34.7246 174.0464 132 I 4.7224 9.2040 129.9231 59.6195 39.0301 175.6827 133 E 4.5210 8.6828 127.4180 55.3854 30.8516 176.4813 134 D 4.5971 8.7543 119.8270 55.6877 42.4359 176.9195 135 D 4.8885 8.9687 118.5693 54.5125 39.3521 173.5465 136 V 4.5627 7.6514 117.8281 61.9374 33.6343 174.4292 137 W 5.4790 9.1136 135.0000 56.0248 33.1372 173.8815 138 I 4.5006 9.3709 129.7114 59.7770 38.6211 176.8358 139 G 4.2504 8.1055 114.9399 45.2824 0.0000 173.2603 140 G 3.8505 8.6732 106.1696 46.3079 0.0000 173.2945 141 N 4.0733 8.9759 117.5165 54.4601 38.1967 173.7662 142 V 4.6576 7.2821 115.0513 60.8641 34.4394 174.2319 143 V 4.4667 8.6697 125.3614 60.9632 34.3625 174.2974 144 I 4.5088 7.9405 128.2856 59.5016 39.6075 175.4067 145 N 5.0700 8.4481 125.9921 52.2399 38.7256 175.0368 146 Q 4.1114 8.6386 117.2224 57.3022 30.0684 177.2234 147 G 3.9044 8.8337 108.4527 45.0663 0.0000 173.1768 148 V 4.3677 7.1091 119.1753 61.8320 33.5053 174.8267 149 T 5.0703 9.6768 124.0755 61.8708 71.5971 172.9763 150 I 4.4622 8.7243 127.9617 59.2654 39.0160 175.6709 151 G 4.0396 8.9709 115.6110 45.8598 0.0000 172.4467 152 A 4.3357 8.6619 125.1431 53.1383 19.3919 178.7680 153 R 4.4141 8.7411 118.9176 57.1488 28.6577 176.7810 154 S 4.7771 7.6086 115.0918 58.1178 64.8311 173.2531 155 V 4.8735 9.0226 120.9299 61.2353 35.0707 174.1477 156 V 4.6614 8.4923 127.7586 60.6640 33.4514 174.9216 157 A 4.2105 8.8805 130.2810 51.3942 19.5608 176.6181 158 A 4.0335 8.4001 122.2413 53.9151 18.8042 177.2346 159 N 4.7626 8.4616 116.9298 53.7095 38.4686 174.2166 160 S 4.5000 7.3723 109.9715 57.7269 64.1868 173.1110 161 V 4.6973 8.3692 125.1589 61.2232 33.9557 174.3297 162 V 4.3969 8.7503 129.6312 61.7345 32.2961 175.8816 163 N 4.8132 8.9560 124.8099 53.3513 40.0439 173.8221 164 Q 4.6625 7.5222 114.2830 54.0628 32.4404 174.2053 165 D 4.6273 8.7259 118.9131 54.8118 41.4978 176.3539 166 V 4.3527 8.2784 122.9484 60.5073 33.5297 173.6068 167 P 4.7795 0.0000 0.0000 61.6522 32.1107 174.4997 168 P 4.3152 0.0000 0.0000 63.1280 32.4112 175.5126 169 D 4.4792 8.7683 118.8727 55.7718 38.9355 173.7428 170 T 4.9442 7.7720 112.8672 61.8371 73.8336 173.5665 171 L 5.0292 8.7751 127.0792 53.8257 43.7889 175.7453 172 V 4.8669 8.3103 119.9538 59.9614 35.2385 175.0311 173 G 4.0870 8.8329 106.5086 46.7868 0.0000 172.9091 174 G 4.2019 8.6807 107.6529 44.4348 0.0000 172.6726 175 T 4.5342 7.9367 114.7112 60.8700 70.3621 172.9064 176 P 4.7097 0.0000 0.0000 61.9114 32.3741 176.4987 177 A 4.3818 8.5530 124.2637 52.2062 19.1742 177.0285 178 R 4.6648 8.7848 116.4415 54.1045 33.8856 174.6549 179 I 4.3746 8.2290 120.3153 60.9988 36.7026 176.2631 180 L 4.1449 8.7975 128.6252 57.3642 41.9877 177.5769 181 R 4.4358 7.5164 115.8588 55.5896 33.5134 172.9318 182 S 4.7951 8.6415 117.6953 57.7250 62.8909 173.8248 183 L 4.5567 8.8148 126.6494 55.4679 42.2981 177.5806 184 K 4.2508 7.6648 117.9859 56.8339 33.3625 176.7797 185 D 4.2201 8.3219 119.2875 54.0413 38.9088 175.0122 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 4 S 8.19 4.47 0.00 4.16 4.05 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 0.00 0.00 0.00 5 E 8.87 3.86 0.00 2.08 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 0.00 2.35 2.35 0.00 6 L 8.06 3.88 0.00 1.97 1.64 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.63 3.98 0.00 2.00 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 0.00 2.29 2.26 0.00 8 K 8.36 3.82 0.00 1.93 2.01 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.64 1.65 7.81 *10 L 7.80 4.19 0.00 1.81 1.73 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.71 4.17 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.52 7.81 12 G 8.18 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 0.00 0.00 0.00 13 E 7.89 4.26 0.00 2.16 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 2.38 2.33 0.00 14 H 8.67 4.33 0.00 3.13 3.22 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.62 4.94 0.00 3.08 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 16 D 10.01 4.44 0.00 2.76 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 17 G 8.65 3.79 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 0.00 0.00 0.00 18 A 8.34 4.88 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 19 S 7.88 4.12 0.00 4.02 3.89 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 20 A 8.79 4.02 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 21 E 8.09 3.87 0.00 2.05 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 2.36 2.40 0.00 22 I 7.74 3.69 2.02 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.07 1.22 0.00 0.00 23 E 8.74 3.99 0.00 2.29 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 0.00 2.35 2.44 0.00 24 A 8.16 4.06 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 25 L 7.99 3.93 0.00 1.93 2.01 1.02 0.79 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 26 R 8.73 3.90 0.00 2.03 2.15 0.00 3.13 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 1.62 1.56 0.00 27 S 8.30 4.15 0.00 3.94 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 28 Q 8.29 3.92 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 29 A 8.43 4.04 1.46 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 0.00 0.00 30 G 8.18 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 0.00 0.00 0.00 31 R 8.12 3.91 0.00 2.05 2.11 0.00 3.09 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.67 0.00 32 L 8.08 3.98 0.00 1.63 1.57 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.33 3.88 0.00 1.99 1.87 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.51 7.81 34 L 7.63 3.93 0.00 1.98 1.65 0.92 0.97 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 35 E 7.97 3.99 0.00 1.96 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 2.33 2.42 0.00 36 I 8.34 3.85 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.96 0.88 0.00 0.00 37 N 8.47 4.52 0.00 2.74 2.89 0.00 0.00 7.01 7.24 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 38 Q 7.61 4.50 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 39 S 7.38 4.28 0.00 4.04 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 40 L 8.51 4.58 0.00 1.65 1.65 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.72 4.85 0.00 2.70 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 42 E 8.83 3.92 0.00 2.08 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 2.41 2.42 0.00 43 A 7.93 3.98 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 44 E 8.86 3.98 0.00 2.14 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 2.31 2.36 0.00 45 R 8.07 3.90 0.00 1.97 2.20 0.00 3.16 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 46 Y 8.16 4.09 0.00 3.17 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 47 A 8.11 4.03 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 48 L 7.86 3.89 0.00 1.80 1.62 0.92 0.96 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 49 Q 7.89 3.57 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.14 2.38 0.00 50 R 7.41 3.97 0.00 1.78 1.90 0.00 3.19 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.00 51 E 7.39 4.11 0.00 1.96 1.92 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 2.29 2.38 0.00 52 L 7.53 3.87 0.00 1.36 0.96 0.81 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 53 F 6.67 4.84 0.00 3.04 3.05 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 0.00 0.00 0.00 54 G 8.51 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 0.00 0.00 0.00 55 H 7.97 4.97 0.00 3.23 3.11 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.01 4.55 0.00 1.59 1.32 0.73 0.57 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 57 G 8.70 4.02 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 66 F 9.17 4.86 0.00 2.96 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 67 H 8.28 4.99 0.00 2.84 3.01 0.00 5.69 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 68 C 8.38 4.68 0.00 3.20 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 69 E 9.26 4.19 0.00 2.01 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 1.88 2.12 0.00 70 F 8.63 4.70 0.00 3.05 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 71 G 9.27 4.56 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 0.00 0.00 0.00 72 K 8.03 4.22 0.00 1.79 1.89 0.00 1.79 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 73 T 7.91 4.28 4.20 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 0.00 0.00 1.45 0.00 0.00 74 I 7.84 4.85 2.17 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 0.62 0.00 0.00 75 R 8.96 5.04 0.00 1.70 1.81 0.00 3.06 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 76 I 8.33 4.65 1.69 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.62 0.75 0.00 0.00 77 G 8.32 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 78 D 10.61 4.83 0.00 2.74 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 79 H 8.34 4.31 0.00 3.13 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 8.21 4.79 4.22 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 1.22 0.00 0.00 81 F 8.96 5.21 0.00 3.13 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 82 I 8.21 4.47 1.59 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8.72 5.07 0.00 2.80 2.80 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 0.00 0.00 0.00 110 T 9.15 4.50 4.46 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 1.45 0.00 0.00 111 A 7.98 5.24 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 0.00 112 S 8.41 4.38 0.00 3.85 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 0.00 113 H 8.39 5.28 0.00 3.01 3.20 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.65 4.33 0.00 3.85 3.79 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 0.00 115 L 8.34 4.07 0.00 1.70 1.75 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.37 4.53 0.00 2.75 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 0.00 117 Y 8.88 4.41 0.00 3.25 3.20 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 0.00 0.00 0.00 118 R 7.42 3.61 0.00 1.59 1.69 0.00 3.01 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 119 R 8.11 4.55 0.00 1.85 1.92 0.00 3.17 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 120 R 7.71 4.71 0.00 2.00 1.91 0.00 3.09 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 121 Q 8.23 4.10 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.33 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 122 A 9.13 4.41 1.21 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 0.00 0.00 0.00 0.00 0.00 123 W 8.22 3.95 0.00 3.50 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 0.00 124 E 7.61 4.11 0.00 2.32 1.95 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 2.36 2.37 0.00 125 T 8.36 4.93 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 1.25 0.00 0.00 126 I 8.55 4.57 1.91 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 1.26 1.52 0.98 0.00 0.00 127 C 8.77 5.60 0.00 3.02 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 0.00 128 K 9.14 4.75 0.00 1.64 1.67 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 129 P 0.00 4.77 0.00 2.10 2.01 0.00 3.59 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 2.14 2.16 0.00 130 I 8.63 4.86 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 1.11 0.00 0.00 131 V 8.93 4.77 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 1.10 0.00 0.00 0.96 0.00 0.00 132 I 9.20 4.72 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 1.01 0.00 0.00 133 E 8.68 4.52 0.00 2.11 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 2.37 2.32 0.00 134 D 8.75 4.60 0.00 2.63 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 0.00 135 D 8.97 4.89 0.00 2.88 2.76 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 0.00 136 V 7.65 4.56 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 1.09 0.00 0.00 1.12 0.00 0.00 137 W 9.11 5.48 0.00 3.45 3.04 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 0.00 138 I 9.37 4.50 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.57 0.91 0.00 0.00 139 G 8.11 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 0.00 140 G 8.67 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 0.00 141 N 8.98 4.07 0.00 2.97 2.85 0.00 0.00 6.96 8.27 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 0.00 142 V 7.28 4.66 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 0.73 0.00 0.00 1.01 0.00 0.00 143 V 8.67 4.47 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 0.74 0.00 0.00 0.87 0.00 0.00 144 I 7.94 4.51 1.02 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.22 0.65 0.00 0.00 145 N 8.45 5.07 0.00 2.76 2.83 0.00 0.00 7.09 7.85 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 0.00 146 Q 8.64 4.11 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.92 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 147 G 8.83 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 0.00 148 V 7.11 4.37 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 1.03 0.00 0.00 1.00 0.00 0.00 149 T 9.68 5.07 4.30 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 1.23 0.00 0.00 150 I 8.72 4.46 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.91 0.91 0.00 0.00 151 G 8.97 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 0.00 0.00 0.00 0.00 152 A 8.66 4.34 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 0.00 153 R 8.74 4.41 0.00 2.13 2.16 0.00 3.14 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 154 S 7.61 4.78 0.00 3.96 3.83 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 0.00 155 V 9.02 4.87 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 0.61 0.00 0.00 1.08 0.00 0.00 156 V 8.49 4.66 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 0.85 0.00 0.00 157 A 8.88 4.21 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 0.00 0.00 0.00 0.00 0.00 158 A 8.40 4.03 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 0.00 159 N 8.46 4.76 0.00 2.84 2.86 0.00 0.00 7.11 7.73 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 0.00 160 S 7.37 4.50 0.00 4.00 3.93 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 0.00 161 V 8.37 4.70 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 0.94 0.00 0.00 0.91 0.00 0.00 162 V 8.75 4.40 1.95 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 0.86 0.00 0.00 0.82 0.00 0.00 163 N 8.96 4.81 0.00 2.72 2.82 0.00 0.00 6.92 7.69 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 0.00 164 Q 7.52 4.66 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.91 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 165 D 8.73 4.63 0.00 2.58 2.65 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 0.00 166 V 8.28 4.35 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 1.03 0.00 0.00 0.89 0.00 0.00 167 P 0.00 4.78 0.00 1.97 1.96 0.00 3.73 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 2.02 2.11 0.00 168 P 0.00 4.32 0.00 1.94 2.08 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 169 D 8.77 4.48 0.00 2.90 2.76 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 0.00 170 T 7.77 4.94 4.36 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 1.24 0.00 0.00 171 L 8.78 5.03 0.00 1.73 1.70 0.80 0.77 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 0.00 172 V 8.31 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 0.61 0.00 0.00 0.87 0.00 0.00 173 G 8.83 4.09 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 0.00 174 G 8.68 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.94 4.53 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 1.20 0.00 0.00 176 P 0.00 4.71 0.00 1.92 1.96 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 177 A 8.55 4.38 1.21 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 0.00 0.00 0.00 0.00 0.00 178 R 8.78 4.66 0.00 1.82 1.98 0.00 2.75 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 179 I 8.23 4.37 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.90 0.00 0.00 180 L 8.80 4.14 0.00 1.64 1.70 0.87 0.67 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 0.00 181 R 7.52 4.44 0.00 1.82 1.69 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 182 S 8.64 4.80 0.00 3.92 3.73 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 0.00 183 L 8.81 4.56 0.00 1.57 1.73 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.66 4.25 0.00 1.90 1.82 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 185 D 8.32 4.22 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.