NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4075 8.1927 115.2898 58.2320 62.9986 174.6787 11 E 3.6741 8.6820 115.6460 58.3550 29.4270 177.9483 12 A 3.9995 8.7259 122.0888 55.3387 19.0013 178.5071 13 C 4.0301 8.1531 115.0375 63.0557 28.2159 176.4671 14 R 3.9682 7.5875 117.1291 59.3445 28.9207 178.7212 15 D 4.3697 7.8351 119.5279 56.9908 40.8900 178.5954 16 G 3.7378 8.3971 106.5185 48.4105 0.0000 174.9279 17 L 3.8534 8.1755 120.4209 57.8585 41.7526 179.4890 18 R 4.0485 8.5604 117.9314 59.5363 30.4712 178.4943 19 A 4.1756 7.9980 120.3064 55.3650 18.3299 181.8192 20 V 3.7446 7.7688 115.5342 63.1453 31.7514 177.8960 *22 E 4.2281 8.1695 117.1607 56.2312 31.5369 177.8201 23 C 3.9123 8.3272 116.6561 62.9856 27.9846 176.2076 24 R 3.7765 8.4985 120.1169 59.6897 29.1850 178.1556 25 N 4.3315 8.0698 115.5667 56.3394 38.5644 177.4540 26 V 3.6095 8.5217 120.5715 66.2730 31.7244 178.2188 27 T 3.8846 8.2315 109.8681 65.0290 68.3848 175.8466 28 H 4.2161 7.7976 119.2711 58.8099 28.6837 177.3420 29 L 3.9644 7.5584 120.8742 58.0477 41.9557 178.6005 30 L 3.9438 7.9574 120.3095 58.3914 41.9891 178.8360 31 Q 4.1305 8.5890 119.7604 59.1192 28.9376 178.2731 32 Q 4.0084 8.1353 119.2759 58.9554 28.7027 178.4723 33 E 3.9732 8.5714 120.0456 59.2747 29.4927 179.1559 34 L 3.9893 8.4202 119.4354 58.3892 41.7433 179.6852 35 T 3.9200 7.9961 115.3829 66.5409 68.2386 176.2501 36 E 3.8409 8.1790 120.8828 59.2530 29.7560 178.3977 37 A 3.8200 8.1819 121.2096 55.4470 18.3631 179.2413 38 Q 4.0550 8.7146 118.0344 59.3445 29.0382 178.6076 39 K 4.0299 8.1588 120.6877 59.3156 32.1752 178.6005 40 G 3.6525 8.2527 106.3733 48.1781 0.0000 175.3546 41 F 4.3973 7.8326 120.7001 60.1284 38.9485 177.9470 42 Q 4.0235 8.1842 117.3787 59.2522 28.5285 178.4055 43 D 4.3828 8.7393 120.1981 57.5206 40.7588 179.1209 44 V 3.5896 8.2526 119.0346 66.0301 31.4296 177.7146 45 E 3.9216 8.4980 118.9646 59.0371 29.4924 178.5059 46 A 3.9847 8.0695 120.8398 55.4891 18.5077 179.6672 47 Q 3.9267 8.4199 116.4888 58.8911 28.7700 178.5970 48 A 3.9757 8.2867 121.8096 55.3958 18.3752 179.2693 49 A 4.0044 8.1763 118.8060 55.8586 18.3941 179.8185 50 T 3.7776 7.8651 113.8151 66.9747 68.5028 175.9958 51 C 3.9565 8.2676 120.2387 62.7090 31.3657 175.0058 52 N 4.1589 8.4257 117.8400 57.5060 38.6399 176.1677 53 H 4.3160 8.3125 115.8350 58.8656 29.0404 177.5617 54 T 4.0734 8.5724 118.0825 66.5926 68.0397 176.6943 55 V 3.5971 7.6703 116.3616 64.2434 32.1776 176.2272 *57 A 4.4153 7.9221 121.6161 52.0395 20.3744 179.7824 58 L 3.9588 7.8355 114.3960 55.2440 41.3644 179.1734 *60 A 4.2751 8.1905 123.1789 52.4601 20.5040 180.1498 61 S 4.1106 8.0434 111.9480 61.5714 62.7416 176.4456 62 L 4.0617 8.0336 122.9700 58.4821 41.8654 178.6341 63 D 4.4131 8.1669 117.8377 57.3696 40.7838 178.7442 64 A 3.9398 8.2282 121.1744 55.1326 18.4832 178.9245 65 E 3.8478 8.8079 118.4144 59.7147 29.5560 179.4026 66 K 4.0009 8.5328 118.3237 59.3226 32.1015 179.2175 67 A 3.9662 8.0737 121.0932 55.0756 18.3019 179.4470 68 Q 3.9531 8.6692 118.5188 59.6727 29.1552 178.0022 69 G 3.7882 8.4819 106.6190 48.3459 0.0000 174.7025 70 Q 3.9448 8.6083 121.9337 58.6137 29.1095 179.4695 71 K 3.9206 8.1186 120.1696 59.3321 32.2030 178.7287 72 K 3.9265 8.4709 120.4012 59.5243 32.0650 178.8788 73 V 3.5542 8.0043 118.6830 65.8083 31.3500 177.5288 74 E 3.8655 8.1787 119.0315 59.3276 29.4129 178.1118 75 E 3.8969 8.5361 119.6701 59.7103 29.5963 178.9755 76 L 4.0697 8.2655 118.7698 57.5337 41.6740 179.2821 77 E 4.0678 8.4509 119.2047 59.0126 29.3504 179.2605 78 G 3.6664 8.2424 105.9778 48.0170 0.0000 175.1674 79 E 3.9714 7.8558 121.7520 59.0613 29.4940 179.6239 80 I 3.6636 7.8506 119.6568 64.8085 37.2681 178.7240 81 T 3.7411 7.8984 110.2703 64.7782 68.3973 176.6651 82 T 3.7915 7.8279 118.7214 66.4606 68.4342 176.5475 83 L 3.9451 8.2824 121.1122 57.9812 41.7132 178.9831 84 N 4.2017 8.7191 116.8214 57.0628 38.6355 177.1385 85 H 4.3049 8.2160 117.0867 58.9596 28.8704 178.1480 86 K 4.0691 8.3315 120.3663 58.9597 31.7697 179.2607 87 L 3.9294 8.6727 121.3680 58.4130 42.1259 178.8845 88 Q 4.0312 8.1863 117.9112 59.2511 28.6449 179.0434 89 D 4.3304 8.1015 119.1150 57.1455 40.8189 178.4821 90 A 3.9577 8.0364 121.2175 55.4704 18.5841 179.5616 91 S 4.0014 8.7478 111.4474 61.4488 62.2072 176.4710 92 A 3.9818 8.0217 123.5578 55.0243 18.2204 179.1217 93 E 3.8649 8.1637 117.9060 59.2896 29.6318 179.1926 94 V 3.5281 7.9973 118.3135 66.1285 31.7247 177.5768 95 E 3.9267 7.9505 117.8000 59.5667 29.3393 179.5107 96 R 3.8346 8.3176 118.6410 59.4429 30.2205 178.4479 97 L 3.9736 8.3896 118.9790 57.8816 41.6229 179.4625 98 R 3.9145 8.5222 118.2486 59.7235 29.9859 178.8963 99 R 3.8723 7.8856 117.1158 59.2071 30.0456 178.3155 100 E 3.8767 8.2649 118.7639 59.6408 29.6286 178.5925 101 N 4.2297 8.7269 116.8956 56.7984 38.9899 176.1292 102 Q 3.8872 8.3991 121.1597 59.3548 29.0226 178.3103 103 V 3.5609 7.9443 119.1266 66.3954 31.5018 177.9715 104 L 3.9875 8.1188 118.5718 57.8851 41.5875 179.7989 105 S 4.1583 8.0861 114.1496 61.2062 62.7010 176.7167 106 V 3.5474 7.6022 121.0537 66.0292 31.4197 177.7672 107 R 4.0547 7.8885 116.4496 59.4172 29.9046 178.9225 108 I 3.8449 7.6328 118.4771 64.2353 37.2809 176.5106 109 A 4.2947 7.6932 124.2385 52.3710 18.4229 176.9592 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 10 S 8.19 4.41 0.00 3.87 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 11 E 8.68 3.67 0.00 2.20 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 12 A 8.73 4.00 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 13 C 8.15 4.03 0.00 3.22 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 14 R 7.59 3.97 0.00 2.13 2.19 0.00 2.77 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 15 D 7.84 4.37 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.40 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 17 L 8.18 3.85 0.00 1.86 1.74 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.56 4.05 0.00 1.72 2.01 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.91 0.00 19 A 8.00 4.18 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 20 V 7.77 3.74 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 1.02 0.00 0.00 0.93 0.00 0.00 *22 E 8.17 4.23 0.00 2.30 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 2.30 2.28 0.00 23 C 8.33 3.91 0.00 3.02 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.50 3.78 0.00 1.88 1.90 0.00 3.12 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 25 N 8.07 4.33 0.00 2.88 2.88 0.00 0.00 6.64 7.68 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 26 V 8.52 3.61 2.23 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 1.04 0.00 0.00 0.93 0.00 0.00 27 T 8.23 3.88 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 1.28 0.00 0.00 28 H 7.80 4.22 0.00 3.32 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.56 3.96 0.00 1.81 1.95 0.93 0.51 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 30 L 7.96 3.94 0.00 1.81 1.80 0.93 0.53 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 31 Q 8.59 4.13 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 32 Q 8.14 4.01 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 33 E 8.57 3.97 0.00 2.14 1.99 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 2.46 2.49 0.00 34 L 8.42 3.99 0.00 1.80 1.76 0.94 0.77 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 35 T 8.00 3.92 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 1.22 0.00 0.00 36 E 8.18 3.84 0.00 2.13 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 2.28 2.34 0.00 37 A 8.18 3.82 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 38 Q 8.71 4.06 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 39 K 8.16 4.03 0.00 1.88 2.03 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 40 G 8.25 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.83 4.40 0.00 3.15 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 42 Q 8.18 4.02 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 43 D 8.74 4.38 0.00 2.63 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 44 V 8.25 3.59 2.41 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 1.18 0.00 0.00 0.93 0.00 0.00 45 E 8.50 3.92 0.00 2.25 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 0.00 2.32 2.35 0.00 46 A 8.07 3.98 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 47 Q 8.42 3.93 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 48 A 8.29 3.98 1.42 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 49 A 8.18 4.00 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 50 T 7.87 3.78 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 1.22 0.00 0.00 51 C 8.27 3.96 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.43 4.16 0.00 2.98 3.02 0.00 0.00 7.40 7.91 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 53 H 8.31 4.32 0.00 3.32 3.37 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.57 4.07 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 55 V 7.67 3.60 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 0.80 0.00 0.00 0.93 0.00 0.00 *57 A 7.92 4.42 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 58 L 7.84 3.96 0.00 1.88 1.69 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *60 A 8.19 4.28 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 61 S 8.04 4.11 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 62 L 8.03 4.06 0.00 1.96 1.66 0.92 1.12 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 63 D 8.17 4.41 0.00 2.80 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 64 A 8.23 3.94 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 65 E 8.81 3.85 0.00 2.18 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 0.00 2.31 2.42 0.00 66 K 8.53 4.00 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 67 A 8.07 3.97 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 68 Q 8.67 3.95 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 69 G 8.48 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 70 Q 8.61 3.94 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 71 K 8.12 3.92 0.00 1.93 1.96 0.00 1.69 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 72 K 8.47 3.93 0.00 1.86 1.93 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 73 V 8.00 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 74 E 8.18 3.87 0.00 2.32 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 2.30 2.32 0.00 75 E 8.54 3.90 0.00 2.29 1.99 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 2.31 2.37 0.00 76 L 8.27 4.07 0.00 1.71 1.69 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.45 4.07 0.00 2.25 1.99 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 2.32 2.32 0.00 78 G 8.24 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 79 E 7.86 3.97 0.00 2.13 2.02 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 2.33 2.37 0.00 80 I 7.85 3.66 1.99 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 1.57 0.96 0.89 0.00 0.00 81 T 7.90 3.74 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 82 T 7.83 3.79 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 1.21 0.00 0.00 83 L 8.28 3.95 0.00 1.93 1.70 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.72 4.20 0.00 2.85 2.91 0.00 0.00 7.12 8.82 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 85 H 8.22 4.30 0.00 3.39 3.32 0.00 5.64 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 86 K 8.33 4.07 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.62 7.81 87 L 8.67 3.93 0.00 1.81 1.89 0.92 0.90 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 88 Q 8.19 4.03 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 89 D 8.10 4.33 0.00 2.88 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 90 A 8.04 3.96 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 91 S 8.75 4.00 0.00 3.85 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.02 3.98 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 93 E 8.16 3.86 0.00 2.10 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 2.31 2.36 0.00 94 V 8.00 3.53 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 0.98 0.00 0.00 0.93 0.00 0.00 95 E 7.95 3.93 0.00 2.22 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 2.48 0.00 96 R 8.32 3.83 0.00 1.85 2.10 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 97 L 8.39 3.97 0.00 1.85 1.70 0.92 0.95 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 98 R 8.52 3.91 0.00 2.04 2.00 0.00 3.13 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 1.66 1.70 0.00 99 R 7.89 3.87 0.00 2.05 1.97 0.00 3.16 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 100 E 8.26 3.88 0.00 2.04 2.12 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 2.32 2.35 0.00 101 N 8.73 4.23 0.00 2.97 2.80 0.00 0.00 6.90 6.99 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 0.00 102 Q 8.40 3.89 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.47 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 103 V 7.94 3.56 2.24 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 1.05 0.00 0.00 0.93 0.00 0.00 104 L 8.12 3.99 0.00 1.87 1.70 0.92 0.77 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 0.00 105 S 8.09 4.16 0.00 4.07 4.12 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 0.00 106 V 7.60 3.55 2.24 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 0.85 0.00 0.00 0.93 0.00 0.00 107 R 7.89 4.05 0.00 1.99 2.00 0.00 3.22 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 108 I 7.63 3.84 2.02 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 1.45 0.64 0.91 0.00 0.00 109 A 7.69 4.29 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.