NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 T 4.3023 8.0285 110.9425 61.2187 70.3687 174.6547 7 A 3.8744 8.4462 125.5879 53.5518 18.3437 178.7403 8 S 4.2764 8.8415 113.6677 61.5532 63.8771 174.9962 9 T 4.1929 7.7101 118.7041 66.0409 68.2757 177.3041 10 G 3.6069 8.2946 107.8110 47.7789 0.0000 175.5717 11 F 4.9285 8.5904 124.4944 60.3639 39.2082 176.9883 12 A 3.9889 7.9051 120.3059 55.1217 18.1340 179.4750 13 E 3.9186 8.0144 115.6088 59.5286 29.8611 179.2776 14 L 3.9103 8.0871 120.2526 57.1286 41.5589 179.2096 15 L 3.6966 7.8556 120.8121 57.8952 41.9720 178.9910 16 K 3.9108 7.6447 119.6598 59.4833 32.0682 178.4547 17 D 4.3269 8.2669 119.4020 57.3952 40.7764 178.7811 18 R 3.8519 8.0659 119.1446 59.3043 30.0863 178.3848 19 R 3.8578 8.1321 118.5618 59.7015 30.1259 178.3471 20 E 3.9676 8.2227 118.2463 59.4486 29.1901 179.1499 21 Q 4.0520 8.2811 119.2066 58.4712 29.0621 177.7406 22 V 4.2013 7.3861 111.1249 59.7811 32.7260 175.9766 23 K 3.8360 7.7800 116.1636 58.1654 30.0179 175.1415 24 M 4.6878 8.0789 116.5047 53.4959 34.8408 176.6983 25 D 4.7902 8.2158 122.4298 52.0241 42.9654 177.1316 26 H 4.1300 8.6130 116.4362 59.2133 28.6021 177.5388 27 A 3.9473 8.0458 121.3573 55.1434 18.0475 179.1593 28 A 3.9388 8.7317 118.0204 55.3555 18.7899 179.2771 29 L 4.0634 7.9094 118.3518 58.2146 42.1435 178.7699 30 A 3.9784 8.2762 121.0469 55.6025 18.1071 179.7292 31 S 4.0912 7.9731 111.8266 61.2408 62.9465 176.0984 32 L 4.5435 7.7878 119.3858 54.8535 41.9283 176.9660 33 L 4.7233 7.7081 117.4819 53.5347 42.7676 176.3886 34 G 3.9774 8.2942 105.6395 46.6983 0.0000 173.1028 35 E 4.7221 7.8944 115.9751 54.4704 34.3625 175.3607 36 T 4.4549 7.8486 109.8310 59.6689 70.6685 174.1328 37 P 4.1835 0.0000 0.0000 66.0578 31.0477 178.5071 38 E 3.8433 7.5849 118.7883 59.5151 29.3160 179.3641 39 T 3.5484 7.4120 115.3835 66.2199 68.5191 176.9134 40 V 2.6024 7.0476 119.2982 65.7443 31.4126 177.7103 41 A 3.7451 7.6198 118.9801 54.9871 18.3706 179.1756 42 A 4.0740 7.8073 119.2848 55.1075 18.4828 179.7660 43 W 4.6830 8.0091 117.4960 60.1840 29.0390 178.0100 44 E 4.4682 8.1616 114.9974 57.4411 28.9093 177.3465 45 N 4.9359 8.4275 117.1242 53.0191 39.3965 174.9555 46 G 4.0202 8.2112 105.9666 45.7519 0.0000 173.9421 47 E 4.5760 8.1811 117.3087 56.2969 29.6324 176.9295 48 G 3.8937 8.2892 107.4492 45.4799 0.0000 176.1827 49 G 3.8946 8.1284 109.1909 48.5609 0.0000 174.3692 50 E 4.2544 7.9529 116.2808 56.4412 30.1687 176.6181 51 L 3.8536 7.7301 120.3220 55.3169 42.2042 177.8827 52 T 4.2422 8.0684 113.1443 60.5978 71.3491 175.6057 53 L 3.8368 8.2592 122.7003 58.7498 42.0280 179.1785 54 T 3.8318 7.7885 114.9638 66.8379 68.3842 176.5014 55 Q 3.9936 7.9440 119.9086 58.8232 28.5914 178.7904 56 L 3.8978 8.2676 120.6764 57.6310 41.6308 179.6923 57 G 3.6208 8.2887 106.0825 47.8664 0.0000 175.7311 58 R 3.9829 7.9605 121.0295 59.1110 29.6797 178.7543 59 I 3.7493 7.9629 119.6556 64.2453 37.0714 178.2273 60 A 4.0263 8.3290 121.9732 55.4422 18.2063 178.7156 61 H 4.0231 8.2389 116.6684 59.9722 29.7195 177.7837 62 V 3.8062 7.7774 112.4571 63.3163 31.4209 177.4800 63 L 4.5564 7.3284 116.8880 53.2712 41.8758 176.3259 64 G 3.9664 8.3513 107.2035 46.3452 0.0000 173.4311 65 T 4.4520 8.0074 114.2173 60.9182 70.1861 172.3593 66 S 4.8427 8.2776 114.2494 56.6602 65.6413 174.9865 67 I 3.8216 8.3757 121.7922 64.6089 36.6537 178.7786 68 G 3.8860 7.6336 103.4588 47.2369 0.0000 175.1810 69 A 4.1741 7.6746 121.2849 53.6079 18.7712 178.4318 70 L 4.5358 8.2663 116.9433 53.7053 42.7156 175.8127 71 T 4.9942 6.9927 110.4284 58.5630 71.1466 172.2601 72 P 4.4245 0.0000 0.0000 61.8722 31.8486 173.9857 73 P 4.4814 0.0000 0.0000 61.9363 32.1649 176.8446 74 A 3.8193 8.5904 121.4065 55.3307 18.0764 176.3058 75 G 3.6107 6.9582 98.9440 44.2592 0.0000 172.1681 76 N 4.8314 8.5756 117.1732 52.0559 40.1722 173.2475 77 D 4.8820 8.7099 124.1172 52.9730 39.9250 176.0668 78 L 4.4860 8.3188 119.8096 54.2228 42.9921 176.4306 79 D 4.5991 9.6235 122.6450 53.4191 40.3321 175.8855 80 D 4.2806 9.7484 127.9792 55.1661 38.4871 175.1811 81 G 4.0144 9.0796 105.8565 45.1016 0.0000 174.1552 82 V 4.5174 7.7231 118.6104 60.9482 34.7878 173.9892 83 I 4.6471 8.0582 123.1086 59.4673 40.8980 174.2039 84 I 4.6235 8.1965 126.9193 59.5173 40.2813 174.7326 85 Q 4.4139 8.1895 122.1175 54.7118 31.6777 174.8134 86 M 4.4032 9.6498 125.6899 54.0187 32.8027 175.7132 87 P 4.2683 0.0000 0.0000 65.7107 31.5683 177.2998 88 D 4.5714 8.0379 118.3979 56.0349 41.2562 176.8216 89 E 4.6823 7.7852 116.8842 56.4514 30.0147 176.5698 90 R 4.4990 7.4459 120.2353 56.4150 31.3630 175.5782 *101 D 4.4181 8.4635 114.5308 54.0290 40.6276 169.5515 102 Y 4.5954 8.3248 125.5628 58.2008 41.1831 174.3114 103 Y 5.5239 7.6492 112.5654 55.0476 42.8667 175.1156 104 V 4.1629 7.7617 118.5672 61.7327 34.5150 173.3473 105 Y 4.7441 8.5596 126.4992 57.3529 39.0702 175.7065 106 N 4.8853 8.9220 123.2362 51.2514 39.3043 173.0738 107 C 4.4938 8.5420 120.5350 59.9920 28.9642 173.4808 108 L 4.7069 8.4669 124.2887 52.3484 43.7823 176.3421 109 V 3.5029 8.2186 118.3962 62.4991 31.3186 175.3299 110 R 4.7239 8.0990 120.9675 55.2162 33.6004 173.6581 111 T 4.8109 7.7696 112.6807 60.8756 69.9848 174.4312 112 K 4.1318 9.6954 127.1013 58.7212 32.2652 178.4021 113 R 4.1952 7.9264 116.2794 57.1082 30.7230 177.2398 114 A 4.7043 7.6855 119.0458 50.4806 21.1199 174.8038 115 P 4.2943 0.0000 0.0000 65.0396 31.9857 178.6340 116 S 4.1389 7.9656 110.9003 60.3256 63.1756 173.6519 117 L 4.3214 7.8489 123.7635 55.3204 42.3114 176.9769 118 V 4.4819 9.1055 127.8970 60.4213 32.6954 171.8419 119 P 5.1331 0.0000 0.0000 62.0244 33.4519 175.2061 120 L 5.1484 9.2415 120.9406 53.5785 47.2996 175.0561 121 V 4.6171 8.5554 120.5904 61.4430 33.7479 174.2608 122 V 4.6785 8.9429 129.0693 61.3135 33.7930 174.0115 123 D 4.8830 8.4471 127.7491 52.8754 42.8853 175.7001 124 V 4.2693 8.9198 125.5946 61.3388 31.7221 176.0750 125 L 4.2026 8.1770 128.2849 57.4141 41.2773 177.1614 126 T 4.5821 7.6397 114.6267 60.7363 69.2812 173.4712 127 D 5.2247 8.1123 123.1752 52.1836 39.7898 174.7930 128 N 4.6797 7.8628 118.2231 51.4597 39.6796 172.0276 129 P 4.1376 0.0000 0.0000 65.5934 31.6617 178.0239 130 D 4.6225 8.0741 114.4888 55.8666 40.8969 176.3161 131 D 4.8777 8.6002 118.9472 53.7363 41.2415 176.2686 132 A 4.2913 8.0300 125.3669 52.6236 18.8169 178.9581 133 K 4.4659 7.6438 123.2842 52.2830 33.3350 175.7624 134 F 4.3918 9.0191 123.8074 56.6463 39.4780 175.0324 135 N 4.7929 8.3704 123.3309 52.3062 38.8999 175.8464 136 S 4.4297 8.4871 113.0795 58.1737 62.4232 174.7672 137 G 4.2062 9.8847 107.1827 47.3021 0.0000 172.9915 138 H 4.9317 7.9912 114.3065 52.9147 31.8087 172.8367 139 A 3.8947 8.3335 123.6777 53.3857 19.0409 178.4714 140 G 3.9156 8.5764 105.7872 45.7662 0.0000 172.9052 141 N 4.7716 7.5020 117.9567 52.4194 40.7950 174.0648 142 E 5.2068 8.1762 120.4112 55.0624 33.1239 173.7025 143 F 5.4414 9.6173 130.0354 57.3299 41.4708 174.4251 144 L 4.9769 8.1394 123.9707 53.0593 46.6216 175.2939 145 F 4.9031 8.4356 122.5973 56.7328 43.3167 173.4952 146 V 3.7214 8.2979 127.3206 62.6815 31.3488 176.1349 147 L 4.1515 8.5643 133.8695 58.5099 42.9284 177.3760 148 E 4.5334 9.1514 115.1070 56.6809 33.8886 179.3477 149 G 3.6745 8.2845 111.0638 44.1188 0.0000 171.4569 150 E 4.9822 8.3663 118.0240 54.3767 32.8428 175.7576 151 I 4.9099 9.0438 126.3288 59.8000 40.5541 174.1646 152 H 4.9683 9.6753 127.0970 54.9395 31.1192 172.5914 153 M 4.6415 9.0473 126.9752 54.3901 34.0839 174.9601 154 K 5.3852 8.3631 123.8998 54.6660 36.7448 175.2035 155 W 5.5624 8.9690 119.5779 55.6870 31.8763 174.7397 156 G 4.0525 9.2698 107.3899 45.3377 0.0000 174.6566 157 D 4.4790 8.5201 124.7727 52.7062 41.6383 177.1862 158 K 2.5172 8.1948 126.1647 59.1904 32.5043 177.8942 159 E 4.0432 8.0260 117.9914 58.5573 30.0184 176.8020 160 N 4.9007 7.5720 116.4462 51.7267 39.8118 171.4561 161 P 4.7013 0.0000 0.0000 61.5311 33.7016 177.0016 162 K 4.0136 7.9571 120.1555 56.0854 33.3231 175.8758 163 E 5.1687 7.8636 119.9442 55.3223 34.0508 174.4581 164 A 4.6577 8.7518 120.7469 51.1403 23.3326 175.3799 165 L 4.9001 8.5834 121.2667 53.4505 43.1995 175.9978 166 L 4.8060 9.3641 125.6495 52.3152 44.2998 174.7897 167 P 4.8700 0.0000 0.0000 61.2875 33.9492 175.4238 168 T 3.7575 7.4078 117.5253 65.6827 68.6553 174.7294 169 G 3.7394 8.1532 114.3031 44.8908 0.0000 173.8398 170 A 4.3539 7.7332 122.3527 51.8761 19.4773 176.7372 171 S 5.2146 8.6148 115.2630 56.7874 66.1986 172.9477 172 M 4.9840 8.6814 118.2921 53.8860 35.3149 173.4000 173 F 5.3472 8.6481 120.6711 56.6295 42.7204 173.9000 174 V 4.0187 7.8012 119.3058 58.9114 34.3261 175.1923 175 E 4.1345 8.5160 128.8712 56.2049 31.0177 176.4637 176 E 4.3470 8.1816 119.5297 57.3039 30.0261 178.5385 177 H 4.1787 8.7774 118.7874 55.2562 27.5546 175.0897 178 V 4.0996 7.4562 120.5695 61.4192 31.7751 174.1150 179 P 4.9300 0.0000 0.0000 63.5458 32.7548 174.8953 180 H 5.2469 8.7742 115.9206 54.8468 32.6249 171.4066 181 A 4.8384 7.9579 118.7718 50.7943 22.6255 175.3618 182 F 5.6081 8.8346 117.1119 56.5146 43.4400 174.1350 183 T 4.6664 8.4771 109.2699 60.5118 72.3977 172.7623 184 A 4.7485 9.0970 124.6074 51.2381 19.9567 176.8973 185 A 4.2096 8.3050 120.9947 51.5114 19.1900 177.7224 186 K 4.0569 8.0178 120.2096 57.5845 33.1399 176.2341 187 G 3.5394 7.7799 111.5001 46.1823 0.0000 172.5724 *190 S 4.4722 7.5010 111.1587 58.2932 64.9710 174.5416 191 A 4.8782 8.5369 120.9372 50.1819 23.0979 174.8777 192 K 4.9695 9.2114 120.5784 54.5018 35.5846 175.1805 193 L 5.1541 8.7148 126.0671 54.1712 44.8426 174.6372 194 I 4.7936 8.7865 120.8609 59.5024 39.8429 173.9908 195 A 5.1724 8.8090 131.3316 50.0617 22.0845 175.1185 196 V 4.6703 9.2563 121.6662 61.1940 34.4566 174.1200 197 N 5.4292 8.9209 126.5933 52.6896 40.2229 175.7282 198 F 4.7130 8.8049 117.3359 57.3756 38.2415 174.0733 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 6 T 8.03 4.30 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 1.22 0.00 0.00 7 A 8.45 3.87 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 8 S 8.84 4.28 0.00 4.30 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 9 T 7.71 4.19 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 10 G 8.29 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.59 4.93 0.00 3.11 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 12 A 7.91 3.99 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.92 0.00 2.22 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 0.00 2.58 2.45 0.00 14 L 8.09 3.91 0.00 1.76 1.71 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.86 3.70 0.00 0.63 1.19 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.64 3.91 0.00 1.87 1.92 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.59 7.81 17 D 8.27 4.33 0.00 2.84 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 18 R 8.07 3.85 0.00 1.96 2.04 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 19 R 8.13 3.86 0.00 2.00 2.07 0.00 3.11 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 20 E 8.22 3.97 0.00 2.26 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 2.31 2.45 0.00 21 Q 8.28 4.05 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.28 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 22 V 7.39 4.20 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 1.02 0.00 0.00 23 K 7.78 3.84 0.00 1.88 1.85 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.53 7.81 24 M 8.08 4.69 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 25 D 8.22 4.79 0.00 2.85 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 26 H 8.61 4.13 0.00 3.17 3.34 0.00 5.65 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 27 A 8.05 3.95 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 28 A 8.73 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.91 4.06 0.00 1.85 1.88 1.03 1.15 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 30 A 8.28 3.98 1.39 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 31 S 7.97 4.09 0.00 4.04 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 32 L 7.79 4.54 0.00 1.80 1.76 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.71 4.72 0.00 1.77 1.84 1.30 0.87 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 34 G 8.29 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 35 E 7.89 4.72 0.00 1.78 1.60 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 2.57 2.45 0.00 36 T 7.85 4.45 4.17 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 1.16 0.00 0.00 37 P 0.00 4.18 0.00 2.25 2.41 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 38 E 7.58 3.84 0.00 2.06 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 2.28 2.34 0.00 39 T 7.41 3.55 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 0.64 0.00 0.00 40 V 7.05 2.60 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 1.05 0.00 0.00 0.70 0.00 0.00 41 A 7.62 3.75 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 42 A 7.81 4.07 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 43 W 8.01 4.68 0.00 3.72 3.38 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 44 E 8.16 4.47 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 45 N 8.43 4.94 0.00 2.81 2.92 0.00 0.00 7.26 7.84 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 46 G 8.21 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 47 E 8.18 4.58 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 48 G 8.29 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 0.00 0.00 0.00 49 G 8.13 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 0.00 0.00 0.00 50 E 7.95 4.25 0.00 1.98 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 2.29 2.28 0.00 51 L 7.73 3.85 0.00 1.19 1.23 -0.40 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.07 4.24 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 1.17 0.00 0.00 53 L 8.26 3.84 0.00 1.72 1.67 0.88 0.71 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 54 T 7.79 3.83 4.21 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 1.19 0.00 0.00 55 Q 7.94 3.99 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 56 L 8.27 3.90 0.00 1.72 1.59 0.69 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.29 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 0.00 0.00 0.00 0.00 58 R 7.96 3.98 0.00 1.96 2.14 0.00 3.21 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 1.67 1.77 0.00 59 I 7.96 3.75 2.01 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 1.03 0.00 0.00 60 A 8.33 4.03 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 61 H 8.24 4.02 0.00 3.36 3.60 0.00 5.79 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 62 V 7.78 3.81 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 63 L 7.33 4.56 0.00 1.87 1.70 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.35 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 65 T 8.01 4.45 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 1.28 0.00 0.00 66 S 8.28 4.84 0.00 4.03 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 67 I 8.38 3.82 1.87 0.00 0.00 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 1.56 0.62 0.89 0.00 0.00 68 G 7.63 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 0.00 0.00 0.00 69 A 7.67 4.17 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 70 L 8.27 4.54 0.00 1.92 1.81 1.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 T 6.99 4.99 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 1.26 0.00 0.00 72 P 0.00 4.42 0.00 2.22 2.13 0.00 3.82 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 2.01 1.99 0.00 73 P 0.00 4.48 0.00 2.25 2.25 0.00 3.74 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 2.08 1.97 0.00 74 A 8.59 3.82 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 75 G 6.96 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 4.83 0.00 2.65 2.70 0.00 0.00 6.75 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.71 4.88 0.00 2.78 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 78 L 8.32 4.49 0.00 1.75 1.71 0.93 0.81 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 79 D 9.62 4.60 0.00 2.70 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 80 D 9.75 4.28 0.00 2.83 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 81 G 9.08 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 82 V 7.72 4.52 2.07 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 *101 D 8.46 4.42 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 8.32 4.60 0.00 2.80 2.53 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 0.00 103 Y 7.65 5.52 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.76 4.16 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 1.04 0.00 0.00 0.90 0.00 0.00 105 Y 8.56 4.74 0.00 2.95 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 0.00 106 N 8.92 4.89 0.00 2.87 2.77 0.00 0.00 6.57 6.95 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 0.00 107 C 8.54 4.49 0.00 2.88 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 0.00 108 L 8.47 4.71 0.00 1.60 1.62 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 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2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.26 1.23 7.81 134 F 9.02 4.39 0.00 2.86 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 0.00 135 N 8.37 4.79 0.00 2.86 2.85 0.00 0.00 6.82 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 0.00 136 S 8.49 4.43 0.00 3.65 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 0.00 137 G 9.88 4.21 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 0.00 138 H 7.99 4.93 0.00 3.28 3.38 0.00 5.66 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 0.00 139 A 8.33 3.89 1.23 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 0.00 0.00 0.00 140 G 8.58 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 0.00 141 N 7.50 4.77 0.00 1.45 2.49 0.00 0.00 6.53 7.49 0.00 0.00 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 E 8.18 5.21 0.00 2.07 1.66 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 2.22 2.33 0.00 143 F 9.62 5.44 0.00 3.34 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 0.00 144 L 8.14 4.98 0.00 1.31 1.14 0.95 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 145 F 8.44 4.90 0.00 2.85 2.73 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 0.00 146 V 8.30 3.72 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.79 0.00 0.00 147 L 8.56 4.15 0.00 1.70 1.71 1.13 0.91 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 E 9.15 4.53 0.00 1.62 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 0.00 2.15 2.13 0.00 149 G 8.28 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 E 8.37 4.98 0.00 2.01 1.76 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 2.28 2.51 0.00 151 I 9.04 4.91 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.03 1.11 0.00 0.00 152 H 9.68 4.97 0.00 3.25 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 M 9.05 4.64 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.83 0.00 154 K 8.36 5.39 0.00 1.22 1.72 0.00 1.86 0.00 0.00 1.94 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.37 7.81 155 W 8.97 5.56 0.00 3.49 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 0.00 156 G 9.27 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 0.00 0.00 0.00 157 D 8.52 4.48 0.00 2.71 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 0.00 158 K 8.19 2.52 0.00 1.10 0.77 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.11 1.20 7.81 159 E 8.03 4.04 0.00 2.07 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 2.23 2.25 0.00 160 N 7.57 4.90 0.00 2.57 2.59 0.00 0.00 7.19 7.82 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 0.00 161 P 0.00 4.70 0.00 2.26 2.16 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.09 0.00 162 K 7.96 4.01 0.00 0.79 0.74 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.81 0.78 7.81 163 E 7.86 5.17 0.00 1.70 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 164 A 8.75 4.66 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 0.00 165 L 8.58 4.90 0.00 1.57 1.65 1.06 0.99 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 0.00 166 L 9.36 4.81 0.00 1.52 1.52 1.01 0.29 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 0.00 167 P 0.00 4.87 0.00 2.07 2.15 0.00 3.69 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 1.99 1.97 0.00 168 T 7.41 3.76 4.17 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 1.16 0.00 0.00 169 G 8.15 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 0.00 170 A 7.73 4.35 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 0.00 171 S 8.61 5.21 0.00 4.10 4.14 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 0.00 172 M 8.68 4.98 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 173 F 8.65 5.35 0.00 3.14 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 0.00 174 V 7.80 4.02 1.72 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 0.60 0.00 0.00 0.57 0.00 0.00 175 E 8.52 4.13 0.00 2.15 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 2.41 2.43 0.00 176 E 8.18 4.35 0.00 2.07 1.76 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 2.27 2.14 0.00 177 H 8.78 4.18 0.00 3.29 3.52 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 V 7.46 4.10 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 0.90 0.00 0.00 0.97 0.00 0.00 179 P 0.00 4.93 0.00 2.40 2.30 0.00 3.84 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.04 0.00 180 H 8.77 5.25 0.00 2.86 3.31 0.00 5.46 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 0.00 181 A 7.96 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 F 8.83 5.61 0.00 3.10 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 0.00 183 T 8.48 4.67 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 184 A 9.10 4.75 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.30 4.21 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 K 8.02 4.06 0.00 1.67 1.76 0.00 1.74 0.00 0.00 2.61 0.00 0.00 3.06 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.51 7.81 187 G 7.78 3.54 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 0.00 *190 S 7.50 4.47 0.00 4.04 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 0.00 191 A 8.54 4.88 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 0.00 192 K 9.21 4.97 0.00 1.68 1.54 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.27 1.28 7.81 193 L 8.71 5.15 0.00 1.66 1.43 0.57 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 194 I 8.79 4.79 1.92 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.49 1.14 0.00 0.00 195 A 8.81 5.17 1.23 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 0.00 0.00 0.00 196 V 9.26 4.67 2.33 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 1.11 0.00 0.00 1.09 0.00 0.00 197 N 8.92 5.43 0.00 2.76 2.72 0.00 0.00 6.18 7.86 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 0.00 198 F 8.80 4.71 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.