NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.7162 8.2829 119.4106 57.7525 39.7111 175.4097 4 K 4.0938 8.1893 129.6891 58.6614 32.3160 177.5582 5 K 4.3027 8.1735 124.2539 59.6565 32.1885 181.5587 6 V 3.8514 7.8647 118.1715 65.7208 31.4269 177.9858 7 A 4.0578 8.0151 122.7907 55.5987 18.2747 180.4029 8 K 3.9695 8.1594 122.2298 60.1352 31.5220 181.0938 9 E 4.2809 8.2972 119.9168 59.1143 29.2861 179.5259 10 T 3.9975 7.8486 115.8940 66.1895 68.5725 176.9005 11 A 4.0561 8.4364 123.2222 55.0968 18.4667 179.7798 12 I 3.7463 7.7005 118.1038 64.6001 37.1608 178.8119 13 T 3.9235 7.6832 116.5142 66.4985 68.3037 176.5980 14 L 4.0451 8.1054 122.3650 58.1512 41.9746 178.7714 15 Q 3.9987 8.4080 119.8265 59.2839 29.0066 178.1688 16 S 4.1954 8.0832 113.6109 61.1125 62.4140 175.4266 17 Y 4.1452 8.1548 122.5915 60.4282 38.4885 177.4808 18 L 4.0481 8.3060 120.0588 57.6381 41.5643 179.5579 19 T 3.7803 7.6895 115.8810 66.7763 68.3499 175.7138 20 Y 3.9400 7.7338 121.3263 60.9407 38.7234 178.2086 21 Q 3.2108 7.7664 119.9725 58.5133 29.0552 177.8513 22 A 3.8392 7.9132 122.1538 55.2335 18.3933 179.7883 23 V 3.5190 7.8109 117.0443 65.9674 31.5960 178.1424 24 R 3.6951 7.8201 118.8518 59.3431 29.8587 178.5720 25 L 3.9572 7.6845 118.6906 57.8745 41.6280 179.6137 26 I 3.9369 7.7795 119.8517 64.2710 36.9906 178.4215 27 S 4.1546 8.4191 114.5528 61.3890 62.3642 176.3094 28 Q 4.0010 7.8694 120.4409 58.8918 28.4624 178.5965 29 Q 3.9556 8.1134 119.1132 59.0270 28.6920 178.8749 30 L 4.0463 8.0772 120.2479 57.6509 41.4607 179.4949 31 S 4.1356 7.9544 113.1771 60.7133 62.6678 175.7028 32 E 4.3805 7.1969 119.1783 58.6535 30.2707 177.7911 33 T 4.3023 7.6218 107.8944 63.2320 71.0547 174.9102 34 N 5.0090 8.2874 119.9542 49.8044 39.7078 172.3359 35 P 4.4227 0.0000 0.0000 65.5034 31.5906 178.6460 36 G 3.7482 8.1659 104.9551 48.0673 0.0000 175.4780 37 Q 4.2216 8.1082 119.9684 58.4804 28.6583 178.7177 38 A 4.0989 7.9961 121.4634 55.1714 18.6081 179.6505 39 I 3.6386 8.0143 118.2248 64.2477 37.2842 178.0351 40 W 4.4111 8.2742 129.3409 60.9280 30.4686 177.7745 41 L 3.1632 8.9160 120.1896 57.4515 40.9324 179.1730 42 G 3.5474 8.0321 106.1571 47.7417 0.0000 175.3391 43 E 4.1182 7.9495 119.5823 57.7511 29.9291 178.3688 44 F 3.6452 8.1210 122.6818 61.3931 39.0460 177.1546 45 S 4.4842 7.7380 113.3909 61.1200 62.7431 176.3271 46 K 4.1155 7.5349 119.5324 58.5274 31.8548 178.8112 47 R 4.2026 7.0128 116.5907 56.4221 30.3831 176.0954 48 H 4.7270 7.3262 115.7089 52.7008 30.8405 171.7204 49 P 4.3622 0.0000 0.0000 62.4206 31.4685 176.9556 50 I 3.2364 8.6408 124.3534 63.8173 38.0228 176.6705 51 Q 4.0156 7.9042 118.0561 58.6540 29.1427 177.8179 52 E 4.5266 8.0612 119.2787 54.0564 28.5686 176.0802 53 S 4.1632 8.2995 119.6975 61.9544 63.2213 176.9101 54 D 4.4155 8.0928 122.3858 56.6675 40.6391 178.5127 55 L 4.0580 8.0144 119.0821 57.8591 41.3682 178.9446 56 Y 4.1327 7.7902 118.5014 60.8772 38.9410 177.4827 57 L 4.2633 8.1675 118.5532 57.8287 41.7469 179.1322 58 E 4.3221 8.2701 117.6884 58.4612 30.3119 178.4354 59 A 4.1773 7.8156 121.9061 52.3020 16.6117 176.9845 *62 L 4.3141 7.9648 121.0716 54.2729 44.0847 177.7301 63 E 4.5075 7.9761 116.2843 57.5863 31.5904 175.8732 64 N 4.5100 7.2797 114.3758 51.8839 40.1988 174.2672 65 K 4.1118 8.0753 124.0139 58.3604 32.4905 177.9656 66 E 3.8848 8.0952 119.5212 59.3573 29.5288 178.5811 67 L 3.9996 7.8704 120.1861 57.7845 42.1606 178.9691 68 V 3.5814 7.4308 117.0537 66.1403 31.5606 177.9574 69 L 4.0057 7.7232 118.1590 57.7163 41.3437 179.6842 70 R 3.8174 7.9458 118.5505 59.5124 30.0498 178.2489 71 I 3.6833 8.1498 120.0833 64.6290 37.2822 178.1310 72 L 3.9763 7.8427 119.1098 58.1769 41.6286 179.4726 73 T 3.8688 7.7398 115.3987 67.0244 68.4989 176.8252 74 V 3.6540 8.0022 120.1194 65.7926 31.6278 178.2186 75 R 3.9701 8.3963 116.4533 58.9641 29.3625 178.4917 76 E 3.9901 8.1263 119.8783 58.9077 29.6191 178.4731 77 N 4.3019 8.0255 116.1368 56.2897 38.5743 176.8814 78 L 3.9044 7.9715 121.4441 58.2461 42.0426 179.0503 79 A 3.9740 7.8389 120.0779 55.3911 18.2202 179.3169 80 E 4.0656 8.1207 115.8260 59.6533 29.5713 179.5557 81 G 3.8503 7.9934 104.7996 46.1846 0.0000 174.7348 82 V 4.3661 7.6137 118.5163 61.5717 33.7866 177.8663 83 L 4.0756 8.3420 123.7241 58.7670 41.2547 179.6418 84 E 4.0846 8.4416 116.0314 61.5289 29.4902 180.7672 85 F 4.4347 8.2280 115.8228 59.9867 39.0461 177.5298 86 L 4.2504 8.1644 119.0465 57.1442 41.7645 177.1385 87 P 4.4574 0.0000 0.0000 65.3119 31.2971 178.4977 88 E 3.7326 7.8944 113.9658 57.2813 29.4627 178.0505 *90 V 3.9940 7.8666 118.7096 62.4829 33.4934 177.3305 91 L 4.0005 7.8478 120.9765 58.0089 41.9116 178.7645 92 S 4.1929 8.1941 113.2079 61.1103 62.3710 176.1454 93 Q 4.0199 7.9714 120.4608 58.7550 28.4824 178.5818 94 I 3.6571 7.8056 120.8271 64.3761 37.2552 178.3838 95 K 3.8447 7.8366 118.9924 59.8328 31.7787 179.1734 96 Q 3.9707 8.0456 119.2519 58.7848 28.8984 178.0775 97 S 4.0397 7.9557 114.2295 60.9663 62.5326 175.4308 98 N 4.3249 8.7243 119.7616 56.6063 38.3215 177.3985 99 G 3.6027 7.9804 106.5276 47.9276 0.0000 175.5709 100 N 4.3317 7.8545 119.1655 56.3021 38.6356 177.3609 101 H 4.3070 8.0325 117.6084 58.8131 28.6802 178.1050 102 R 3.9225 8.3251 120.1311 59.5315 29.4839 179.3466 103 R 3.9017 7.9285 117.6993 59.2487 29.9254 179.2150 104 S 4.1289 8.1259 113.0496 61.0642 62.2021 175.9641 105 L 4.0227 7.7610 121.8799 58.1896 41.9842 178.7044 106 L 4.2081 8.0198 119.9947 58.4473 41.8817 179.4943 107 E 4.2548 7.7900 118.4102 61.5012 29.6852 180.5289 108 R 4.6995 7.4041 117.0185 56.2825 29.5509 178.9819 109 L 4.3338 7.5817 124.4666 55.6024 41.8976 179.3027 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 3 F 8.28 4.72 0.00 3.21 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 4 K 8.19 4.09 0.00 1.84 1.80 0.00 1.79 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.13 7.81 5 K 8.17 4.30 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 6 V 7.86 3.85 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 7 A 8.02 4.06 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 8 K 8.16 3.97 0.00 1.79 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 8.30 4.28 0.00 2.11 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 2.34 2.46 0.00 10 T 7.85 4.00 4.42 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 1.20 0.00 0.00 11 A 8.44 4.06 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 12 I 7.70 3.75 1.89 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 1.54 1.02 0.93 0.00 0.00 13 T 7.68 3.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 14 L 8.11 4.05 0.00 1.89 1.86 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.41 4.00 0.00 2.32 2.27 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 2.38 2.39 0.00 16 S 8.08 4.20 0.00 4.05 4.03 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 17 Y 8.15 4.15 0.00 3.25 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 18 L 8.31 4.05 0.00 1.77 1.71 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.69 3.78 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 20 Y 7.73 3.94 0.00 2.89 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 21 Q 7.77 3.21 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 22 A 7.91 3.84 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 23 V 7.81 3.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.02 0.00 0.00 24 R 7.82 3.70 0.00 1.33 1.69 0.00 3.08 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 25 L 7.68 3.96 0.00 1.82 1.65 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.78 3.94 1.86 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 1.40 0.91 0.94 0.00 0.00 27 S 8.42 4.15 0.00 3.87 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 28 Q 7.87 4.00 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 29 Q 8.11 3.96 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 30 L 8.08 4.05 0.00 1.88 1.76 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.95 4.14 0.00 4.05 4.03 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 32 E 7.20 4.38 0.00 2.15 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 2.27 2.29 0.00 33 T 7.62 4.30 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 1.28 0.00 0.00 34 N 8.29 5.01 0.00 2.70 2.67 0.00 0.00 6.92 8.50 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 35 P 0.00 4.42 0.00 2.32 2.32 0.00 3.77 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 2.09 2.05 0.00 36 G 8.17 3.75 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 0.00 0.00 0.00 37 Q 8.11 4.22 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 38 A 8.00 4.10 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 39 I 8.01 3.64 2.08 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 1.44 0.93 0.97 0.00 0.00 40 W 8.27 4.41 0.00 3.45 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.92 3.16 0.00 1.99 1.89 0.80 1.11 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 42 G 8.03 3.55 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 0.00 43 E 7.95 4.12 0.00 2.25 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 2.27 2.31 0.00 44 F 8.12 3.65 0.00 2.04 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 45 S 7.74 4.48 0.00 4.20 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 46 K 7.53 4.12 0.00 1.81 1.81 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 47 R 7.01 4.20 0.00 1.41 1.26 0.00 2.97 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 48 H 7.33 4.73 0.00 2.65 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.36 0.00 2.30 2.21 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 50 I 8.64 3.24 1.54 0.00 0.00 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 1.32 0.43 0.82 0.00 0.00 51 Q 7.90 4.02 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 52 E 8.06 4.53 0.00 2.08 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 2.27 2.24 0.00 53 S 8.30 4.16 0.00 4.21 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.09 4.42 0.00 2.75 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 55 L 8.01 4.06 0.00 1.92 1.78 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 7.79 4.13 0.00 3.11 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 57 L 8.17 4.26 0.00 1.76 1.80 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.27 4.32 0.00 2.24 2.04 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 2.37 2.36 0.00 59 A 7.82 4.18 1.24 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 0.00 0.00 0.00 *62 L 7.96 4.31 0.00 1.74 1.82 0.96 0.95 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 63 E 7.98 4.51 0.00 2.13 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 0.00 2.37 2.40 0.00 64 N 7.28 4.51 0.00 1.88 2.28 0.00 0.00 7.23 6.72 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 65 K 8.08 4.11 0.00 1.80 1.81 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.45 7.81 66 E 8.10 3.88 0.00 1.97 1.88 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 2.34 2.35 0.00 67 L 7.87 4.00 0.00 1.96 1.68 1.10 1.18 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 68 V 7.43 3.58 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.03 0.00 0.00 69 L 7.72 4.01 0.00 1.89 1.71 0.91 1.05 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 70 R 7.95 3.82 0.00 1.94 2.10 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 71 I 8.15 3.68 2.07 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.67 0.95 0.00 0.00 72 L 7.84 3.98 0.00 1.86 1.73 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.74 3.87 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 1.21 0.00 0.00 74 V 8.00 3.65 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 1.01 0.00 0.00 0.92 0.00 0.00 75 R 8.40 3.97 0.00 2.04 2.38 0.00 2.97 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 76 E 8.13 3.99 0.00 2.24 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 2.31 2.36 0.00 77 N 8.03 4.30 0.00 2.95 2.84 0.00 0.00 6.61 6.32 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 78 L 7.97 3.90 0.00 1.97 1.67 0.88 0.81 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 79 A 7.84 3.97 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 80 E 8.12 4.07 0.00 2.25 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 2.37 2.36 0.00 81 G 7.99 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 82 V 7.61 4.37 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 0.93 0.00 0.00 0.83 0.00 0.00 83 L 8.34 4.08 0.00 1.84 1.82 0.97 1.00 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 84 E 8.44 4.08 0.00 2.06 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 2.24 2.00 0.00 85 F 8.23 4.43 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.16 4.25 0.00 1.75 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.46 0.00 2.16 2.10 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 88 E 7.89 3.73 0.00 2.03 1.91 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 2.38 2.38 0.00 *90 V 7.87 3.99 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 0.88 0.00 0.00 0.96 0.00 0.00 91 L 7.85 4.00 0.00 1.96 1.68 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.19 4.19 0.00 3.96 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 93 Q 7.97 4.02 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 94 I 7.81 3.66 1.96 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 1.50 0.72 0.89 0.00 0.00 95 K 7.84 3.84 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 96 Q 8.05 3.97 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 97 S 7.96 4.04 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.72 4.32 0.00 3.00 2.88 0.00 0.00 6.94 7.87 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 99 G 7.98 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 0.00 100 N 7.85 4.33 0.00 2.58 2.84 0.00 0.00 7.08 8.74 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 0.00 101 H 8.03 4.31 0.00 3.18 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.33 3.92 0.00 1.97 1.98 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 103 R 7.93 3.90 0.00 2.03 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 104 S 8.13 4.13 0.00 4.04 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 0.00 105 L 7.76 4.02 0.00 1.89 1.84 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.02 4.21 0.00 1.69 1.70 0.92 1.12 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 0.00 107 E 7.79 4.25 0.00 2.11 1.87 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 2.26 2.20 0.00 108 R 7.40 4.70 0.00 1.87 1.82 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 109 L 7.58 4.33 0.00 1.60 1.37 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.