NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.0990 8.1133 121.0684 56.2893 31.7124 173.7671 3 Y 4.7019 8.3330 123.5213 55.8457 40.2850 174.2285 4 F 4.9558 8.9718 122.3274 55.8160 42.5593 174.6163 5 S 5.1480 8.5389 118.8680 56.2986 65.4755 175.2457 6 T 3.8398 8.7496 110.3322 64.7287 68.0620 174.3149 7 D 4.7338 7.8952 119.5002 54.1867 41.3298 176.9182 8 S 4.7072 8.0995 116.2762 56.8366 65.9320 173.4451 9 P 4.2722 0.0000 0.0000 65.5390 31.2307 179.0152 10 E 3.2008 7.8510 117.3012 58.9113 29.2289 179.2658 11 V 3.5157 7.6071 117.6891 66.1106 31.6439 177.8522 12 K 3.8929 8.1733 118.2018 60.0034 31.6162 179.4490 13 T 3.9890 8.0125 115.4757 66.6263 68.6820 176.5238 14 I 4.1060 7.7864 114.5619 63.9281 36.4853 178.6452 15 V 3.7937 8.2774 114.2396 63.9023 31.1675 177.8930 16 A 3.9666 7.7637 119.2323 53.6802 18.3300 177.5484 17 Q 4.3592 7.5944 116.6737 55.6500 31.1825 174.5751 18 D 4.9405 7.9468 117.1033 51.8945 41.7863 175.9664 19 S 4.4289 8.5305 122.4372 60.7447 63.2981 176.4812 20 R 3.9316 8.1831 121.9364 59.2027 29.8649 178.3412 21 L 4.0063 8.8012 120.4945 58.0935 41.9960 178.8132 22 F 4.0659 8.2711 120.7810 61.2981 37.7216 177.1948 23 Q 3.7871 8.1687 117.8428 58.5903 28.4763 178.4922 24 F 4.2272 8.1428 121.6877 61.5562 39.4418 177.4569 25 I 3.4031 7.6887 119.2883 63.6075 36.4143 178.0836 26 E 3.6951 7.2371 119.2042 59.6790 29.3758 179.2077 27 I 3.8312 6.7363 116.9191 64.1965 37.2756 178.1411 28 A 3.9070 7.6592 121.2716 54.6686 18.5858 178.3258 29 G 3.8209 8.1905 106.4223 45.5466 0.0000 173.4398 30 E 4.7728 8.4401 120.4545 56.3758 31.2715 173.6193 31 V 4.5335 8.5538 111.5717 60.4788 36.3111 174.5786 32 Q 4.7942 8.6249 121.4922 54.1153 31.0414 175.0047 33 L 4.6818 8.8190 126.6198 52.8923 42.8088 174.3924 34 P 4.5905 0.0000 0.0000 62.2857 32.7554 175.3122 35 T 4.7653 8.0606 115.0666 61.7604 70.5424 174.2537 36 K 4.4497 8.5198 125.3693 54.1679 33.5111 175.0145 37 P 4.1669 0.0000 0.0000 65.5242 31.7604 176.7807 38 N 4.6578 7.9433 121.7149 50.9559 39.6010 173.0369 39 P 4.1415 0.0000 0.0000 66.1278 31.0209 178.0130 40 F 4.3670 8.2103 119.7101 61.2613 39.4137 176.8019 41 Q 3.6992 8.4509 119.1972 58.7547 28.7035 177.7778 42 S 4.0426 8.8570 115.1868 61.5503 62.3422 176.3553 43 L 4.0293 8.0725 121.3978 57.6997 41.3795 179.6490 44 V 3.5324 7.6134 118.1869 65.9681 31.5012 177.5848 45 S 3.7845 8.5040 113.2483 61.7606 61.8443 176.3037 46 S 4.3056 8.4133 120.0503 62.4652 62.4121 177.5628 47 I 3.8662 7.9499 121.7425 65.2794 35.3135 179.9721 48 V 4.0151 7.7664 119.1414 65.6818 31.7375 177.7591 49 E 4.0840 8.1714 118.2322 58.0713 29.3832 177.2777 50 Q 3.6421 7.4163 121.8255 58.2825 29.3307 176.3565 51 Q 3.3684 8.1993 121.8361 55.8439 25.6866 170.9012 52 L 4.9045 7.3292 115.8935 52.7434 45.2778 177.3852 53 S 4.2117 8.3775 114.2706 58.7246 64.3215 175.2376 54 I 3.6951 8.3774 129.3140 64.5335 37.8870 179.1042 55 K 3.9426 7.9635 123.8859 59.9513 31.6225 180.9827 56 A 4.2559 7.9579 121.6540 54.6190 18.4544 179.4354 57 A 3.9490 8.3441 119.8807 55.0681 18.4016 179.8753 58 S 4.0690 8.0700 111.3682 61.2541 62.3852 176.0886 59 A 3.9973 8.0157 123.4543 55.4213 17.6586 179.5530 60 I 3.6648 8.0084 118.4822 64.7556 37.0819 178.1334 61 Y 4.1648 8.0346 120.2098 60.7126 38.1589 178.2088 62 G 3.5405 8.3722 106.6777 47.4923 0.0000 175.7630 63 R 4.1429 7.6586 122.0438 60.0107 30.4972 179.6728 64 V 3.7640 7.4434 120.3919 66.5814 31.3364 180.2823 65 E 4.0779 7.6669 118.3402 61.3779 29.4872 180.8661 66 Q 4.3214 7.3676 116.5225 58.7915 28.9057 178.4810 67 L 3.9013 7.1723 113.4878 56.1818 41.5275 177.1331 *71 A 3.9835 7.6156 120.9399 51.8090 19.4474 176.5636 72 L 4.6396 8.5355 125.2985 54.7868 42.3336 175.9249 73 E 4.6524 9.2700 123.5800 57.3455 32.2883 173.6835 74 K 4.6781 7.7821 119.3113 51.4568 35.9034 177.0632 75 P 4.2240 0.0000 0.0000 66.4880 31.5743 179.4938 76 E 3.8826 8.1800 113.3122 59.2949 29.6257 180.8286 77 Q 4.1688 7.7506 116.8772 59.2724 28.8789 178.6737 78 L 4.3176 7.8425 116.9205 56.6729 42.3383 178.4152 *79 Y 3.9080 7.8595 121.7154 59.3554 35.8222 183.6010 80 R 4.2389 8.4139 118.4364 55.6894 28.9375 178.8246 *82 S 4.3529 7.8206 119.3291 58.2059 65.6289 173.3724 83 D 4.7590 8.5960 124.9473 55.9684 41.4713 179.2198 84 E 4.1581 8.0547 119.2740 61.0756 29.7043 183.5602 85 A 4.2303 8.1571 122.7676 55.6855 18.8148 179.5388 86 L 4.1080 8.2247 119.1888 59.7616 40.8862 182.1768 87 R 4.9942 7.8203 118.6196 58.5605 30.1991 178.3714 88 Q 4.1378 7.9209 115.1568 58.0004 28.8827 176.9753 89 A 4.0898 7.7569 120.3761 53.2184 19.3440 177.1238 *91 V 3.7390 7.0587 111.6002 61.8885 33.1807 176.3905 92 S 4.7195 8.4186 124.4400 57.7720 65.8156 175.8803 93 K 4.0724 8.5543 127.7861 60.6396 31.4608 176.7011 94 R 3.9249 7.9160 121.7055 61.3683 29.2011 180.7248 95 K 4.5298 7.9993 121.8148 59.4319 31.8486 180.2329 96 I 3.8022 8.5054 123.5054 66.5268 35.7206 180.9260 97 E 4.0076 8.7293 120.4782 60.9239 29.1678 180.1763 98 Y 4.7500 7.9550 115.7619 61.7168 37.8101 179.6092 99 I 3.9236 7.8376 120.3273 64.4052 37.1108 178.6772 100 R 4.0708 8.1808 119.0074 59.3452 29.7174 178.8395 101 H 4.2938 8.1834 115.7365 59.0389 28.8661 177.6048 102 V 3.7010 7.8079 119.7195 66.3585 31.0941 177.9969 103 C 4.2106 8.0420 115.4123 62.9323 28.0952 175.6490 104 E 3.7398 8.0417 120.0587 59.9820 29.1375 179.3536 105 H 4.1240 8.7223 116.4678 58.6753 28.9210 178.0068 106 V 3.6577 7.9023 120.0877 65.7685 31.1903 178.0641 107 E 4.0401 8.8498 119.0103 59.3526 29.4332 179.2576 108 S 4.2644 7.8967 113.1838 59.3954 62.9880 175.4583 109 G 3.8287 7.4216 108.1512 45.8186 0.0000 174.4065 110 R 3.8842 8.1558 123.4132 59.3718 30.0454 178.3170 111 L 4.2911 7.3928 121.8091 52.6933 39.8742 175.7355 112 D 4.6777 7.6200 122.3244 50.9966 41.6815 177.3955 113 F 4.5016 9.0041 124.6360 58.1930 39.3625 176.6322 114 T 3.7460 7.4093 117.7331 62.9856 68.7058 180.8872 *122 T 4.4653 8.3007 118.6043 62.6229 70.7197 179.4621 123 T 4.3622 7.6157 115.7551 63.8377 68.7524 178.7201 124 V 3.8190 7.7029 119.0988 66.9189 31.7325 177.5209 125 I 3.7897 7.9393 120.3942 64.6356 37.5505 178.2087 *126 E 4.0242 7.4739 117.6577 61.7981 29.7188 182.2496 127 K 4.4555 8.1415 126.1598 59.6516 31.8464 181.5095 128 L 4.5746 7.8863 124.2032 59.5028 41.0082 181.7128 129 T 4.5698 7.4831 116.0658 60.2704 67.6880 176.9396 *134 I 3.9361 8.0635 125.6460 58.5371 36.0398 171.3901 135 G 4.3152 7.5754 115.5685 42.3182 0.0000 170.6960 136 Q 3.9800 8.9500 118.5652 59.3068 28.4468 178.7464 137 W 4.2756 8.2313 126.9352 60.8461 30.9677 177.5769 138 T 3.8760 8.2325 113.7889 66.5551 68.0890 175.9176 139 A 4.2553 7.9812 121.5195 55.2090 18.7489 180.0181 140 E 3.9845 8.1921 113.3440 56.7580 30.5223 176.9844 *142 F 4.5429 7.7611 121.4386 58.1925 39.7444 175.0401 *145 F 4.6404 7.6664 121.4527 56.5333 41.3636 177.1598 146 S 4.1353 8.0160 115.4257 59.2887 64.1427 175.0443 147 L 4.1915 7.3799 116.5837 53.8406 41.9619 176.5805 148 G 3.8695 7.7309 106.1293 46.3770 0.0000 173.8333 149 R 4.1843 7.8696 118.2166 55.5166 30.8696 176.8050 150 L 4.3788 8.5663 121.3334 55.2612 42.5764 176.3816 151 D 5.6749 7.6705 118.5596 52.3340 38.3484 176.5752 152 V 4.4605 7.8940 117.0558 61.8222 34.7368 174.9522 153 L 4.6226 8.5693 128.5835 53.5510 44.6998 175.8911 154 S 5.2009 8.5427 121.6056 55.7969 61.8119 174.3195 155 V 3.7100 8.3450 128.0735 65.2411 31.5755 177.0403 156 G 3.9202 8.1260 106.1340 45.8489 0.0000 173.3434 157 D 4.8513 8.4391 121.4165 53.8095 42.0701 176.7591 158 V 3.7921 8.6849 127.1539 66.0067 31.7035 177.8845 159 G 4.0132 8.5133 105.1042 48.1739 0.0000 175.4923 160 L 3.8784 8.9253 121.7679 57.3292 41.5714 179.6261 161 Q 4.0550 8.2541 118.3352 58.8723 28.6065 178.7069 162 R 4.0865 8.4454 120.0692 59.2856 30.1694 178.5728 163 G 3.7435 8.2869 105.3844 47.9746 0.0000 175.3793 164 A 4.3669 8.4361 123.6455 54.9162 18.3623 179.8988 165 K 4.0480 8.3334 117.0222 59.4048 32.0997 179.3875 166 W 4.0054 8.6220 128.7796 59.8697 30.3629 177.1956 167 L 3.8998 7.8634 118.5468 55.9100 42.2952 176.9025 168 Y 4.7966 8.5290 114.0751 57.2019 39.9599 176.4485 169 G 4.3916 7.6057 106.7802 43.6186 0.0000 172.6082 170 N 3.9996 8.8428 115.8355 54.5488 36.9617 175.0832 171 G 3.9805 8.5460 103.6402 45.4922 0.0000 173.0429 172 E 4.6447 8.0975 118.6993 54.4855 33.6769 174.0511 173 G 3.9901 8.7946 104.6612 44.8988 0.0000 172.2403 174 D 4.8134 8.4804 118.8367 52.7088 42.0792 177.7725 175 G 3.6788 8.5830 115.1659 47.5861 0.0000 174.4152 176 K 3.9707 8.1222 121.5151 59.3771 32.2614 178.9218 177 K 3.9955 8.5801 118.8810 59.4348 31.9017 179.2957 178 L 4.0625 8.4310 119.7049 57.7053 41.4668 179.6190 179 L 3.9490 8.1965 118.9558 58.0250 41.4308 179.5349 180 I 3.6199 7.4568 118.2131 64.3268 37.1610 177.6166 181 Y 4.0573 7.6311 119.9723 60.8759 38.8849 177.3283 182 H 3.5782 8.0337 117.1564 58.2447 28.7248 178.0023 183 G 2.4011 7.4745 107.7360 46.9184 0.0000 175.7676 184 K 3.7903 6.8911 119.3651 58.8862 32.0321 178.2100 185 A 4.1721 7.0423 118.3579 52.4212 18.7957 177.5998 186 W 4.8092 7.6022 116.4577 55.9116 30.3613 175.9902 187 A 4.3094 7.9807 121.4884 52.5688 17.9279 175.5225 188 P 4.8675 0.0000 0.0000 62.9269 32.1375 175.2620 189 Y 5.0777 7.8274 115.6813 58.0892 38.9134 178.1540 190 E 4.1898 8.5591 121.3329 60.2258 29.8295 178.6115 191 T 3.8846 8.1070 115.8068 66.7832 68.3186 176.7038 192 V 3.2293 7.6913 119.6173 65.6638 31.4800 177.5947 193 A 3.6225 7.7714 120.0653 55.5438 17.7982 179.0714 194 C 3.6481 7.9303 114.9552 62.9443 28.0920 176.4725 195 L 4.3033 7.7534 120.1252 58.1966 41.2257 179.2296 196 Y 4.1247 7.6598 116.6302 61.0217 37.6994 178.5353 197 L 4.0599 8.0187 120.0744 57.6089 41.7788 179.6534 198 W 4.3994 8.4507 119.3531 59.3962 28.6139 178.4780 199 K 4.0354 8.5270 119.5850 59.5776 31.7242 178.4687 200 A 3.1950 8.5970 121.1010 55.1822 17.9382 179.5638 201 A 4.1104 8.0876 117.9934 53.1422 18.8742 179.2757 202 G 3.4575 8.3514 103.7589 46.9286 0.0000 175.9714 203 T 3.8545 8.9856 117.4155 65.0102 68.2518 174.1613 204 F 3.9678 7.9193 119.3239 60.4553 38.6829 177.6017 205 A 4.1068 7.5526 119.2178 54.9417 18.1923 179.2391 206 E 4.0983 7.9939 115.9459 58.5760 29.5314 177.5860 207 E 4.4208 7.5639 116.0861 56.1222 31.5921 175.6996 208 Y 5.1782 8.3477 115.5229 55.7441 41.7075 176.4514 209 R 4.2288 10.6400 124.1207 59.2104 30.4803 176.8616 210 S 2.7900 7.2429 111.7202 55.9208 66.9849 177.0182 211 L 2.9769 5.9736 122.8043 58.1836 41.5092 178.8157 212 E 3.8176 7.5686 117.8537 59.0732 29.1871 178.7791 213 E 3.9296 7.3733 118.1911 58.9548 30.1317 178.0200 214 L 3.6090 7.8683 120.5878 58.4163 42.1120 179.2432 215 L 4.0893 8.1227 118.5194 57.6581 41.3129 178.6015 *216 H 4.4404 7.9321 114.2384 57.4372 28.7219 176.1355 217 H 4.7967 8.0666 117.0157 57.2444 29.4390 175.2614 218 G 4.0658 7.7611 110.5358 43.9805 0.0000 173.0709 219 N 4.5598 8.5293 116.7638 53.0196 37.9358 174.6242 220 Q 4.0844 8.2582 118.4325 56.3448 29.5146 174.6049 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 R 8.11 4.10 0.00 1.74 1.54 0.00 2.46 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.48 0.00 3 Y 8.33 4.70 0.00 2.82 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 4 F 8.97 4.96 0.00 2.96 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 5 S 8.54 5.15 0.00 3.88 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 6 T 8.75 3.84 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 7 D 7.90 4.73 0.00 2.74 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 8 S 8.10 4.71 0.00 4.30 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 9 P 0.00 4.27 0.00 2.14 2.15 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 10 E 7.85 3.20 0.00 1.68 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 1.47 1.47 0.00 11 V 7.61 3.52 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 1.13 0.00 0.00 1.08 0.00 0.00 12 K 8.17 3.89 0.00 2.07 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.53 7.81 13 T 8.01 3.99 4.64 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 1.35 0.00 0.00 14 I 7.79 4.11 1.87 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 1.73 0.62 1.09 0.00 0.00 15 V 8.28 3.79 2.34 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 0.96 0.00 0.00 1.10 0.00 0.00 16 A 7.76 3.97 1.38 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 0.00 0.00 0.00 17 Q 7.59 4.36 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 18 D 7.95 4.94 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 19 S 8.53 4.43 0.00 4.15 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 0.00 20 R 8.18 3.93 0.00 2.15 1.86 0.00 3.24 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 21 L 8.80 4.01 0.00 2.23 1.95 0.91 0.70 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 22 F 8.27 4.07 0.00 3.22 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.17 3.79 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.73 0.00 24 F 8.14 4.23 0.00 3.00 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 25 I 7.69 3.40 1.47 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.56 0.00 0.00 26 E 7.24 3.70 0.00 1.77 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 1.78 1.47 0.00 27 I 6.74 3.83 1.85 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 1.40 0.54 1.04 0.00 0.00 28 A 7.66 3.91 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 30 E 8.44 4.77 0.00 1.77 1.74 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 2.21 1.91 0.00 31 V 8.55 4.53 1.86 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 -0.28 0.00 0.00 0.70 0.00 0.00 32 Q 8.62 4.79 0.00 1.78 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.88 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 33 L 8.82 4.68 0.00 1.83 1.71 0.76 1.01 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 34 P 0.00 4.59 0.00 2.17 1.97 0.00 4.05 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 35 T 8.06 4.77 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 1.16 0.00 0.00 36 K 8.52 4.45 0.00 1.63 1.66 0.00 1.58 0.00 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S 7.82 4.35 0.00 3.88 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 83 D 8.60 4.76 0.00 2.64 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 84 E 8.05 4.16 0.00 1.97 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 2.31 1.94 0.00 85 A 8.16 4.23 1.35 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 0.00 0.00 0.00 86 L 8.22 4.11 0.00 1.68 1.71 0.92 0.80 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 87 R 7.82 4.99 0.00 1.77 2.02 0.00 3.22 0.00 0.00 3.80 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.54 0.00 88 Q 7.92 4.14 0.00 2.54 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 89 A 7.76 4.09 1.32 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 *91 V 7.06 3.74 2.26 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 0.00 124 V 7.70 3.82 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 1.06 0.00 0.00 0.99 0.00 0.00 125 I 7.94 3.79 1.89 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 1.50 1.20 0.94 0.00 0.00 *126 E 7.47 4.02 0.00 2.15 1.85 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 2.26 2.19 0.00 127 K 8.14 4.46 0.00 1.86 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 128 L 7.89 4.57 0.00 1.76 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.48 4.57 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *134 I 8.06 3.94 1.87 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 1.35 0.55 0.91 0.00 0.00 135 G 7.58 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.38 4.19 0.00 1.53 1.66 1.09 0.96 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 0.00 148 G 7.73 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 R 7.87 4.18 0.00 1.77 2.07 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 150 L 8.57 4.38 0.00 1.88 1.83 1.10 1.04 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 0.00 151 D 7.67 5.67 0.00 2.58 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 0.00 152 V 7.89 4.46 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 0.74 0.00 0.00 0.90 0.00 0.00 153 L 8.57 4.62 0.00 1.69 1.53 1.10 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.54 5.20 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 V 8.34 3.71 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 0.87 0.00 0.00 0.94 0.00 0.00 156 G 8.13 3.92 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 0.00 0.00 0.00 157 D 8.44 4.85 0.00 3.29 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 0.00 158 V 8.68 3.79 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 1.13 0.00 0.00 0.94 0.00 0.00 159 G 8.51 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 0.00 160 L 8.93 3.88 0.00 1.76 1.61 0.67 -0.76 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 0.00 161 Q 8.25 4.05 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 162 R 8.45 4.09 0.00 1.96 2.27 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 163 G 8.29 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 0.00 0.00 0.00 164 A 8.44 4.37 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 K 8.33 4.05 0.00 2.10 1.96 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.65 1.65 7.81 166 W 8.62 4.01 0.00 3.49 3.30 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 0.00 167 L 7.86 3.90 0.00 1.82 1.53 0.57 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 168 Y 8.53 4.80 0.00 3.01 2.83 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 0.00 169 G 7.61 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 0.00 0.00 0.00 0.00 170 N 8.84 4.00 0.00 2.79 2.83 0.00 0.00 7.16 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 0.00 171 G 8.55 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 0.00 172 E 8.10 4.64 0.00 2.13 1.85 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 2.23 2.23 0.00 173 G 8.79 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 0.00 0.00 0.00 174 D 8.48 4.81 0.00 2.72 2.58 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 0.00 175 G 8.58 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 0.00 0.00 0.00 176 K 8.12 3.97 0.00 1.87 1.94 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.72 7.81 177 K 8.58 4.00 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 178 L 8.43 4.06 0.00 1.88 1.83 1.02 0.61 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 0.00 179 L 8.20 3.95 0.00 1.91 1.72 1.02 1.00 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 0.00 180 I 7.46 3.62 1.99 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 0.60 0.88 0.00 0.00 181 Y 7.63 4.06 0.00 2.85 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 0.00 182 H 8.03 3.58 0.00 2.75 2.50 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 G 7.47 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 6.89 3.79 0.00 1.41 1.60 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.23 7.81 185 A 7.04 4.17 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 0.00 186 W 7.60 4.81 0.00 3.45 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 0.00 187 A 7.98 4.31 1.19 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 0.00 188 P 0.00 4.87 0.00 1.81 1.90 0.00 3.04 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.61 0.00 189 Y 7.83 5.08 0.00 3.00 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 0.00 190 E 8.56 4.19 0.00 2.21 2.26 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 2.51 2.70 0.00 191 T 8.11 3.88 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 192 V 7.69 3.23 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 0.65 0.00 0.00 0.02 0.00 0.00 193 A 7.77 3.62 -0.03 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 0.00 194 C 7.93 3.65 0.00 3.02 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 0.00 195 L 7.75 4.30 0.00 1.70 1.66 0.94 1.01 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 0.00 196 Y 7.66 4.12 0.00 3.07 3.15 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 0.00 197 L 8.02 4.06 0.00 1.65 1.55 0.96 1.06 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 0.00 198 W 8.45 4.40 0.00 3.71 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 0.00 199 K 8.53 4.04 0.00 2.06 2.16 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.76 1.62 7.81 200 A 8.60 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 A 8.09 4.11 1.54 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 0.00 202 G 8.35 3.46 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 0.00 203 T 8.99 3.85 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 1.13 0.00 0.00 204 F 7.92 3.97 0.00 2.68 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 A 7.55 4.11 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 0.00 206 E 7.99 4.10 0.00 2.37 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 2.34 2.22 0.00 207 E 7.56 4.42 0.00 1.46 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 2.02 2.08 0.00 208 Y 8.35 5.18 0.00 3.57 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 0.00 209 R 10.64 4.23 0.00 1.91 2.00 0.00 3.48 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 210 S 7.24 2.79 0.00 3.82 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 0.00 211 L 5.97 2.98 0.00 0.97 1.21 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 212 E 7.57 3.82 0.00 1.95 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 213 E 7.37 3.93 0.00 2.02 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 2.51 2.40 0.00 214 L 7.87 3.61 0.00 1.61 1.73 0.49 1.02 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 0.00 215 L 8.12 4.09 0.00 1.66 1.68 0.91 1.29 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 *216 H 7.93 4.44 0.00 2.85 3.06 0.00 5.84 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 H 8.07 4.80 0.00 3.41 3.45 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 G 7.76 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 0.00 0.00 0.00 219 N 8.53 4.56 0.00 2.84 2.87 0.00 0.00 5.58 7.39 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 0.00 220 Q 8.26 4.08 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.