NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2612 8.1731 120.6221 55.4906 44.0634 179.0454 2 G 3.5912 8.5255 109.9746 45.5392 0.0000 173.1709 3 K 3.9288 8.8893 123.5464 56.7739 30.2420 175.7048 4 F 4.2755 8.5294 117.3543 59.9528 37.6810 177.4079 5 S 3.5797 6.4855 114.4395 60.7745 62.5753 175.5991 6 Q 4.1174 7.6665 119.0884 58.1673 28.6343 176.8577 7 T 4.7440 8.0991 107.5628 61.2165 69.2668 172.4951 8 C 5.6841 8.1446 117.6443 56.5325 45.0216 172.0911 9 Y 4.8439 8.7061 118.2287 56.6534 40.5799 173.9537 10 N 4.4525 8.8802 114.0117 54.4867 35.9992 175.1266 11 S 4.8139 8.1419 112.1164 58.9218 64.0712 173.9713 12 A 4.7229 8.8873 122.8564 51.0409 23.0022 175.1810 13 I 4.8995 8.3089 120.0512 59.4988 40.4523 175.1719 14 Q 4.3411 8.7501 127.2653 54.9611 32.2532 175.6725 15 G 3.8466 8.5372 117.0889 47.1182 0.0000 174.0151 16 S 4.5490 8.8241 120.6205 57.4952 63.7296 172.6979 17 V 4.6404 7.8597 122.9911 61.6255 33.1294 174.0306 18 L 5.0399 8.6761 130.2958 53.9215 43.9705 175.1044 19 T 5.0720 8.7075 122.3310 62.1041 72.3866 172.8828 20 S 4.7551 8.8016 118.1259 57.6994 66.8742 172.9752 21 T 4.8646 8.3572 121.0897 62.1940 70.1026 173.1080 22 C 5.6868 9.2140 124.3262 54.8222 44.1027 173.5028 23 E 4.4230 9.0207 121.8541 56.4969 29.9474 177.3032 24 R 4.4397 8.4840 123.0741 55.0071 31.9733 177.9525 25 T 3.7609 8.4381 116.2466 67.2138 68.4044 175.6063 26 N 4.4041 7.9867 114.9039 53.8789 38.6281 175.2550 27 G 3.7249 7.3449 101.8989 46.1900 0.0000 173.9496 28 G 3.8933 8.4849 104.8777 45.0670 0.0000 171.3826 29 Y 5.4290 8.0407 114.6927 56.3824 42.4376 174.7213 30 N 5.0732 9.1857 118.0593 52.6745 42.8943 172.9417 31 T 5.1590 8.5427 122.1561 62.1597 70.6070 173.8691 32 S 4.7498 8.8146 119.3325 57.2989 67.1876 172.6721 33 S 5.2569 8.4117 114.8447 57.0079 67.0435 173.6510 34 I 4.4735 8.4978 121.2503 59.7458 41.5826 173.4360 35 D 4.7912 8.7122 129.3422 53.3537 41.2281 175.8945 36 L 4.3213 8.8802 127.3855 55.8632 42.1155 178.8749 37 N 4.2950 8.5038 117.1248 56.1029 38.4915 175.9749 38 S 4.5535 7.9680 109.4383 58.8387 63.6727 174.4298 39 V 5.1282 7.8202 113.1857 60.1201 33.9451 175.1561 40 I 4.9228 7.8447 120.6378 59.2896 40.4275 174.5314 41 E 4.6960 9.1948 122.9216 54.6410 33.6687 173.9532 42 N 4.9976 8.7046 119.9178 52.6175 39.9289 174.8151 43 V 4.0550 8.7882 128.4082 61.5684 31.8297 174.9294 44 D 4.0796 9.7356 129.7188 55.1752 39.3937 174.4249 45 G 3.9458 8.8219 105.4391 44.7866 0.0000 173.3744 46 S 4.7320 7.6870 115.1238 56.0478 65.1132 172.9772 47 L 4.6026 8.4895 127.3228 54.6997 42.0764 176.4397 48 K 4.6526 9.0584 122.7863 53.9271 36.5152 176.0024 49 W 4.7251 8.6909 121.7703 57.0962 29.8008 175.2501 50 Q 4.8238 10.0550 124.0672 53.3844 32.3204 173.0541 51 P 4.4001 0.0000 0.0000 62.6505 31.3602 175.3308 52 S 4.7245 8.2049 113.4295 57.2827 64.4091 172.9117 53 N 4.7787 8.3233 117.2331 52.5000 38.7456 173.4858 54 F 4.8300 8.6347 110.4319 58.3063 39.7763 177.0780 55 I 3.2416 6.8377 112.4002 61.9084 37.7313 176.3349 56 E 4.0663 7.9338 121.8183 58.0907 29.8672 176.7012 57 T 4.5459 7.8156 106.0601 61.1522 69.7491 173.8269 58 C 5.6333 8.0019 118.7832 55.4300 44.8091 172.9733 59 R 4.6064 8.8749 118.0104 54.6546 32.6311 173.9413 60 N 4.4336 8.6291 113.5859 54.7940 37.1013 173.6299 61 T 4.6145 7.6189 107.1515 62.2138 70.3417 175.1837 62 Q 4.6339 9.3228 122.5876 54.4997 34.1171 173.4477 63 L 4.8842 8.5428 123.6893 54.1121 43.2657 175.4602 64 A 4.3958 9.4662 130.4997 50.9205 20.2359 176.1994 65 G 3.8910 8.9056 112.0815 46.9349 0.0000 174.6790 66 S 4.6325 8.6425 116.0234 58.7939 64.2572 175.4999 67 S 4.6108 7.7138 112.2723 58.7015 66.2520 172.6459 68 E 4.7867 8.3406 123.3142 55.3037 31.1766 174.3841 69 L 4.9068 8.9691 129.7805 53.8738 43.6259 174.9182 70 A 5.3287 8.8177 128.1955 50.5262 22.4886 174.5807 71 A 4.8913 8.3771 120.0880 52.4845 24.0028 175.0038 72 E 5.1777 8.9275 118.7831 55.2082 31.6422 175.1603 73 C 5.5599 9.1270 122.2021 54.7831 44.0012 173.7730 74 K 4.2022 8.2345 122.1991 56.3255 32.5202 177.5331 75 T 4.3277 8.5090 115.3053 60.1503 70.5880 175.8493 76 R 3.7569 8.4003 119.4127 59.2451 29.9896 177.8325 77 A 4.2090 7.8792 117.7842 52.1145 18.4349 177.0352 78 Q 3.5859 8.1109 114.2728 57.1176 26.7754 173.1397 79 Q 4.8292 7.4826 116.2897 54.0761 31.9642 174.9291 80 F 4.9096 8.9285 121.4325 57.2599 40.0652 175.4170 81 V 4.6703 8.8242 115.6880 59.4043 36.2017 174.6389 82 S 4.8482 8.6459 117.2871 58.6140 63.2275 173.0142 83 T 4.9115 8.8729 120.1557 61.1135 71.2035 172.0585 84 K 5.1184 8.3243 122.7747 56.1332 35.7584 174.7384 85 I 4.5594 8.5612 120.5126 59.5653 42.1743 173.6254 86 N 4.8600 8.8019 127.5758 52.6857 38.7096 175.5759 87 L 4.1243 8.8983 127.9333 57.4541 41.4443 178.8393 88 D 4.4959 8.3271 117.8422 56.2490 40.7115 177.7581 89 D 4.4900 7.9010 119.7362 57.1165 41.2105 176.5519 90 H 4.7629 7.9704 111.6687 54.8450 32.0161 172.8660 91 I 4.8541 8.0867 120.2501 59.8155 38.0741 175.0758 92 A 4.7362 8.9946 129.0187 50.0598 22.6781 174.7606 93 N 4.9154 8.6586 118.2630 52.4858 39.7142 174.9486 94 I 4.0939 8.8083 129.6205 60.1369 36.8998 175.8420 95 D 4.0753 9.7155 128.6908 55.0814 39.4245 174.4624 96 G 4.0190 9.0761 105.8365 45.2215 0.0000 173.6688 97 T 4.6113 7.5765 116.6810 61.2132 71.2218 173.1600 98 L 4.6973 8.4666 126.1849 54.8039 42.3737 176.6371 99 K 4.7471 9.0617 122.5077 54.8330 36.8005 175.0645 100 Y 4.6094 8.7769 127.3153 57.7091 39.9929 175.7299 *101 E 3.7983 7.4745 120.3729 56.0264 30.5447 175.1407 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 1 L 8.17 4.26 0.00 1.56 1.57 0.79 0.54 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 2 G 8.53 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.89 3.93 0.00 2.02 1.92 0.00 1.69 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.63 7.81 4 F 8.53 4.28 0.00 3.24 3.36 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 5 S 6.49 3.58 0.00 3.63 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 6 Q 7.67 4.12 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.40 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 7 T 8.10 4.74 4.29 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 1.23 0.00 0.00 8 C 8.14 5.68 0.00 3.10 3.22 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 9 Y 8.71 4.84 0.00 3.04 3.03 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 10 N 8.88 4.45 0.00 2.51 2.85 0.00 0.00 6.94 7.57 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 11 S 8.14 4.81 0.00 3.88 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 12 A 8.89 4.72 1.20 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 13 I 8.31 4.90 1.87 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 1.23 0.74 0.90 0.00 0.00 14 Q 8.75 4.34 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.75 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 15 G 8.54 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 16 S 8.82 4.55 0.00 3.97 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 0.00 17 V 7.86 4.64 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 0.88 0.00 0.00 0.92 0.00 0.00 18 L 8.68 5.04 0.00 1.73 1.40 0.97 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.71 5.07 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 1.17 0.00 0.00 20 S 8.80 4.76 0.00 3.92 3.66 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 21 T 8.36 4.86 3.27 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 0.95 0.00 0.00 22 C 9.21 5.69 0.00 2.86 3.03 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 23 E 9.02 4.42 0.00 1.84 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 2.24 2.66 0.00 24 R 8.48 4.44 0.00 2.00 1.79 0.00 3.13 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 25 T 8.44 3.76 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 1.19 0.00 0.00 26 N 7.99 4.40 0.00 2.64 2.78 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 27 G 7.34 3.72 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 0.00 28 G 8.48 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 29 Y 8.04 5.43 0.00 2.84 2.97 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 30 N 9.19 5.07 0.00 2.83 2.61 0.00 0.00 7.51 6.60 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 31 T 8.54 5.16 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 1.16 0.00 0.00 32 S 8.81 4.75 0.00 3.83 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 33 S 8.41 5.26 0.00 3.69 3.72 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 34 I 8.50 4.47 1.80 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 1.10 1.52 0.86 0.00 0.00 35 D 8.71 4.79 0.00 2.66 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 36 L 8.88 4.32 0.00 1.78 1.67 0.89 0.46 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 37 N 8.50 4.30 0.00 2.93 2.89 0.00 0.00 6.93 7.11 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 38 S 7.97 4.55 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 5.13 2.37 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 1.27 0.00 0.00 1.15 0.00 0.00 40 I 7.84 4.92 1.86 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.48 0.71 0.00 0.00 41 E 9.19 4.70 0.00 1.92 2.19 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 2.29 2.22 0.00 42 N 8.70 5.00 0.00 2.70 2.76 0.00 0.00 6.80 7.71 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 43 V 8.79 4.05 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 0.90 0.00 0.00 0.93 0.00 0.00 44 D 9.74 4.08 0.00 2.78 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 45 G 8.82 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 46 S 7.69 4.73 0.00 3.88 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 47 L 8.49 4.60 0.00 1.43 1.40 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.06 4.65 0.00 1.56 1.65 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 W 8.69 4.73 0.00 3.21 3.09 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 50 Q 10.06 4.82 0.00 1.90 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 51 P 0.00 4.40 0.00 2.27 2.25 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 52 S 8.20 4.72 0.00 4.00 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 53 N 8.32 4.78 0.00 2.84 2.93 0.00 0.00 5.78 7.43 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 54 F 8.63 4.83 0.00 3.21 3.31 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 55 I 6.84 3.24 1.53 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 1.02 0.39 -0.02 0.00 0.00 56 E 7.93 4.07 0.00 1.93 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 0.00 2.26 2.33 0.00 57 T 7.82 4.55 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 1.17 0.00 0.00 58 C 8.00 5.63 0.00 3.11 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 59 R 8.87 4.61 0.00 1.82 2.00 0.00 2.55 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.43 0.00 60 N 8.63 4.43 0.00 2.91 2.82 0.00 0.00 6.63 7.22 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 61 T 7.62 4.61 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 1.43 0.00 0.00 62 Q 9.32 4.63 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 63 L 8.54 4.88 0.00 1.65 1.60 0.95 1.00 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 64 A 9.47 4.40 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 65 G 8.91 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 66 S 8.64 4.63 0.00 3.98 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 67 S 7.71 4.61 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 68 E 8.34 4.79 0.00 2.16 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 2.26 2.29 0.00 69 L 8.97 4.91 0.00 1.76 1.61 1.03 0.38 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 70 A 8.82 5.33 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 71 A 8.38 4.89 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 72 E 8.93 5.18 0.00 2.02 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 2.29 2.31 0.00 73 C 9.13 5.56 0.00 2.87 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 74 K 8.23 4.20 0.00 1.28 1.38 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.21 7.81 75 T 8.51 4.33 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 1.22 0.00 0.00 76 R 8.40 3.76 0.00 1.80 2.02 0.00 3.35 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 77 A 7.88 4.21 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 78 Q 8.11 3.59 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.57 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 79 Q 7.48 4.83 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.90 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 80 F 8.93 4.91 0.00 2.90 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 81 V 8.82 4.67 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 0.70 0.00 0.00 0.96 0.00 0.00 82 S 8.65 4.85 0.00 3.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.87 4.91 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 1.32 0.00 0.00 84 K 8.32 5.12 0.00 1.85 1.72 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.56 7.81 85 I 8.56 4.56 1.83 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 1.10 1.53 0.84 0.00 0.00 86 N 8.80 4.86 0.00 2.76 2.87 0.00 0.00 7.20 6.66 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 87 L 8.90 4.12 0.00 1.83 1.72 0.93 0.78 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 88 D 8.33 4.50 0.00 2.84 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 89 D 7.90 4.49 0.00 2.73 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 90 H 7.97 4.76 0.00 3.10 2.96 0.00 5.60 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.09 4.85 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.94 0.00 0.00 92 A 8.99 4.74 1.17 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 0.00 0.00 93 N 8.66 4.92 0.00 2.72 2.76 0.00 0.00 6.94 7.94 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 94 I 8.81 4.09 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.84 0.91 0.00 0.00 95 D 9.72 4.08 0.00 2.72 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 96 G 9.08 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 97 T 7.58 4.61 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 1.22 0.00 0.00 98 L 8.47 4.70 0.00 1.55 1.64 0.94 0.86 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 99 K 9.06 4.75 0.00 1.65 1.65 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.55 7.81 100 Y 8.78 4.61 0.00 2.98 2.88 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 *101 E 7.47 3.80 0.00 1.64 1.61 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 2.13 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.