NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2231 8.3144 121.7900 56.1599 33.3925 174.6993 2 E 4.2048 8.5725 126.5302 53.7031 30.7963 174.7999 3 T 4.4518 8.4782 117.8876 60.2312 73.0093 175.4191 4 A 3.9845 8.3846 122.1589 55.4211 18.3160 179.7312 5 A 4.1583 8.0128 118.5682 55.3114 18.5164 179.5826 6 A 4.0553 7.9335 119.4822 54.9592 18.3647 179.8447 7 K 3.9371 8.4551 118.7077 59.4125 32.2437 178.8421 8 F 4.0936 8.3741 121.0216 61.3952 39.3835 176.8300 9 E 4.0186 8.2315 117.9147 59.5390 29.0707 179.4250 10 R 3.8872 7.7697 117.3592 59.6090 30.2535 178.2241 11 Q 4.0156 8.1356 116.8894 57.9494 29.0649 176.2881 12 H 4.8633 8.2538 114.0715 54.3166 31.2169 173.3920 13 M 4.6891 7.9635 119.0547 53.7301 33.3884 176.8487 14 D 4.7453 8.5353 122.4066 53.6503 41.4094 175.7406 15 S 4.2942 8.3698 119.1855 60.7558 63.8457 176.7692 16 S 3.8617 8.2141 114.2151 61.1671 62.5529 174.2306 17 T 4.5910 7.0250 116.5030 62.6239 70.4001 174.7099 18 S 4.5799 8.0626 112.9635 60.0427 67.2092 174.2834 *21 S 4.4116 7.5632 115.4962 57.8402 63.7068 177.5711 22 S 4.3729 8.7094 114.2799 57.8024 63.0979 174.5170 23 S 4.5126 8.5015 113.8966 59.5960 63.2762 174.6149 24 N 4.5730 8.3515 119.4013 56.3373 38.8556 176.7661 25 Y 3.7500 7.3263 116.4457 59.9767 39.2358 177.2185 26 C 4.1543 8.8491 116.7158 60.5569 39.0063 176.1626 27 N 4.2944 8.3456 117.0491 56.7085 38.1974 177.3926 28 Q 3.8738 7.9693 118.8963 59.0259 28.8593 178.5624 29 M 3.8028 8.1948 121.3196 57.9966 31.8589 178.6258 30 M 4.0540 8.6368 119.7224 58.1294 32.0035 179.0317 31 K 4.1287 7.8097 119.7167 58.4342 32.4556 179.2329 32 S 4.4006 7.9605 113.2001 60.0863 62.5916 175.2916 33 R 4.4481 7.4530 120.0099 54.7957 30.9513 175.2471 34 N 4.2488 8.3354 115.4938 54.5315 35.9296 174.9043 35 L 4.4155 8.2186 118.0194 55.5416 42.0295 178.6690 36 T 4.9267 7.6845 107.1057 60.3246 68.5228 175.8763 37 K 3.7322 7.6260 122.0762 59.6771 32.3461 176.4610 38 D 4.7017 7.6433 119.6610 52.8793 40.8512 176.3675 39 R 3.4912 6.6749 113.2104 55.8171 32.1869 172.7317 40 C 4.8892 8.6929 117.3709 56.0740 40.6902 173.6969 41 K 4.2363 8.0993 124.1457 55.6208 32.5901 174.4249 42 P 4.7229 0.0000 0.0000 65.5442 32.1669 176.5600 43 V 5.5481 7.4326 115.6235 60.6831 34.3488 172.9117 44 N 4.9084 8.4466 120.5981 52.5955 43.3876 172.5331 45 T 4.8405 7.4475 115.9217 61.7845 73.3328 172.9947 46 F 4.9781 8.6858 124.3627 55.6282 42.3648 174.5103 47 V 4.3264 9.1849 124.5279 61.2360 32.7520 175.8790 48 H 6.0589 8.5906 129.7423 55.6834 27.4697 174.4219 49 E 4.8291 7.9088 116.1292 53.5478 33.8348 176.9422 50 S 4.3901 8.2845 114.7824 58.1118 65.0833 174.8752 51 L 3.9748 8.5392 124.3735 58.4833 41.8854 179.2124 52 A 4.0390 7.9998 120.0997 55.2022 18.1402 179.1345 53 D 4.3190 7.6732 116.4346 57.6251 41.2728 178.9765 54 V 3.7838 7.8422 118.6860 66.1459 31.6135 178.1311 55 Q 3.9308 8.6448 118.0270 58.6554 28.6686 178.1655 56 A 4.1577 8.1357 120.9147 53.9157 18.3134 179.5145 57 V 3.5290 7.5682 117.1560 65.6511 31.3587 176.7650 58 C 3.7450 7.6436 114.3213 57.8302 39.8538 174.0420 59 S 4.7000 7.4081 114.0391 57.8631 63.8683 174.6879 60 Q 4.6298 7.5961 121.1880 55.8966 30.8729 177.0324 61 K 4.0989 7.6059 129.7701 57.4348 33.1025 176.1228 62 N 4.4132 8.7780 127.6691 53.5950 39.0725 174.3337 63 V 4.5920 8.6116 118.4977 59.1381 36.7719 174.7502 64 A 4.2272 8.3609 124.9450 52.0146 19.1583 178.6226 65 C 4.6601 8.7264 120.0560 56.3198 40.9739 175.3574 66 K 3.7074 9.0062 122.3202 59.1010 31.6678 177.9014 67 N 4.6228 7.9069 113.7856 52.3332 37.8427 174.8870 68 G 4.0893 8.1481 107.9290 46.1900 0.0000 174.8311 69 Q 4.1287 8.3071 118.5199 56.5615 29.1331 177.1390 70 T 4.4002 8.2516 108.7444 61.8432 69.8706 174.0423 71 N 4.9039 7.8024 120.4268 53.9909 38.2530 175.0725 72 C 5.4684 7.4558 115.8392 56.6104 44.7144 173.2409 73 Y 5.1562 9.0324 119.3269 56.2671 41.6062 174.1650 74 Q 5.0455 9.1671 124.9493 54.2968 31.7201 174.4816 75 S 4.5067 8.4386 120.6355 57.8350 63.6400 174.0331 76 Y 4.5121 8.7519 121.6878 60.6553 37.9158 176.9431 77 S 4.9234 7.8365 113.5918 56.6019 65.4023 173.7063 78 T 4.1158 8.0607 112.5650 61.9445 69.7780 173.6437 79 M 4.9056 8.6913 122.4450 53.3679 36.4419 174.7500 80 S 4.8673 9.0822 117.1036 58.3638 63.7092 173.2019 81 I 5.2581 8.5694 119.8083 58.9307 41.9419 173.8621 82 T 4.8649 8.1184 116.8745 62.5566 72.8585 172.8091 83 D 5.1596 9.3875 127.0624 53.1197 43.2212 174.7589 84 C 5.4006 8.9991 120.9735 55.3754 41.1388 173.0267 85 R 5.1017 8.4348 123.3710 53.9934 32.9445 175.0651 86 E 4.3530 8.9151 125.5224 56.1216 30.0148 176.7216 87 T 4.0791 8.4739 119.0755 61.6087 69.4870 174.4153 88 G 3.7835 8.6196 109.5754 48.0499 0.0000 174.3419 89 S 4.4821 7.3160 114.1524 58.6993 63.3404 173.8571 90 S 4.6355 7.8781 114.9099 57.3613 64.7003 173.0116 91 K 4.5860 8.5923 126.1144 54.6814 36.1077 175.1451 92 Y 4.3997 8.7094 124.6643 57.6961 39.0655 174.4283 93 P 3.3179 0.0000 0.0000 63.3440 32.0390 176.8391 94 N 4.5928 7.7999 117.7723 52.0851 37.1570 172.2704 95 C 4.6124 8.3474 119.3219 55.8024 41.4167 173.0364 96 A 5.0268 8.5101 126.5224 50.2538 21.1164 174.6123 97 Y 5.2222 9.0345 120.1818 56.0684 41.5181 175.8105 98 K 4.4237 9.3810 123.6876 55.6486 33.2240 176.2991 99 T 4.2873 8.5506 122.9175 63.7726 69.5919 174.9617 100 T 4.4673 8.5932 122.4234 62.1726 72.1376 173.3611 101 Q 4.6476 8.7415 127.6492 56.1180 30.4674 174.2639 102 A 4.3811 7.8802 123.3149 51.7245 23.6676 175.2065 103 N 5.3982 8.8827 116.0355 51.7396 40.7257 174.3798 104 K 4.7631 8.6644 122.0001 54.6175 37.3613 176.0402 105 H 4.7056 9.0905 119.9383 55.9947 30.0622 174.6275 106 I 4.8807 8.6162 114.6782 59.2032 40.9557 174.3044 107 I 5.0271 8.2318 124.1322 59.7221 40.2877 175.1183 108 V 4.7463 8.6530 118.9856 59.3928 36.3851 174.1816 109 A 5.0453 8.8123 124.8793 50.9198 20.5170 175.6329 110 C 5.1909 8.4977 120.4549 55.2084 39.8781 173.1428 111 E 4.8341 8.5716 118.3408 56.6480 33.0886 175.3501 112 G 3.8251 9.8455 106.7496 44.6456 0.0000 172.2537 113 N 4.7791 8.1455 116.3096 50.8190 40.2884 172.3759 114 P 4.3875 0.0000 0.0000 62.4678 32.1104 175.8090 115 Y 4.6325 8.3661 120.7945 57.6700 38.6619 174.7198 116 V 4.4462 8.0197 119.6190 58.3381 36.4681 173.6358 117 P 4.3503 0.0000 0.0000 62.9040 31.2899 176.6962 118 V 4.4749 8.8093 116.4837 61.0194 33.5446 174.9941 119 H 4.9053 7.8034 118.9512 55.2193 33.3172 172.0830 120 F 4.8623 8.7318 127.9032 57.0347 39.3657 174.6425 121 D 4.5522 8.6544 127.5019 56.6941 41.8616 175.5557 122 A 4.6195 6.7041 117.6869 51.6693 22.6565 174.8602 123 S 5.0110 8.8021 112.7601 56.9068 65.9468 174.7839 124 V 4.1340 8.7392 116.8494 61.3664 32.1144 175.5381 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 K 8.31 4.22 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.57 4.20 0.00 2.06 1.83 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 2.27 2.38 0.00 3 T 8.48 4.45 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 1.23 0.00 0.00 4 A 8.38 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 5 A 8.01 4.16 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 6 A 7.93 4.06 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 7 K 8.46 3.94 0.00 2.07 2.04 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.54 7.81 8 F 8.37 4.09 0.00 3.29 3.24 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 9 E 8.23 4.02 0.00 2.27 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 2.51 2.73 0.00 10 R 7.77 3.89 0.00 1.98 2.09 0.00 3.26 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 11 Q 8.14 4.02 0.00 1.51 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.46 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 12 H 8.25 4.86 0.00 1.93 2.77 0.00 5.61 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 13 M 7.96 4.69 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 14 D 8.54 4.75 0.00 2.68 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 15 S 8.37 4.29 0.00 3.96 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 16 S 8.21 3.86 0.00 3.97 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 T 7.02 4.59 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 1.08 0.00 0.00 18 S 8.06 4.58 0.00 3.91 3.88 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 *21 S 7.56 4.41 0.00 3.99 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 22 S 8.71 4.37 0.00 4.05 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 23 S 8.50 4.51 0.00 4.04 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 24 N 8.35 4.57 0.00 2.84 3.02 0.00 0.00 6.72 7.48 0.00 0.00 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 Y 7.33 3.75 0.00 3.10 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 26 C 8.85 4.15 0.00 3.21 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 27 N 8.35 4.29 0.00 2.93 2.95 0.00 0.00 7.03 7.74 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 28 Q 7.97 3.87 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 29 M 8.19 3.80 0.00 1.03 1.42 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.71 0.00 30 M 8.64 4.05 0.00 1.73 2.06 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 2.54 0.00 31 K 7.81 4.13 0.00 1.61 1.84 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.48 7.81 32 S 7.96 4.40 0.00 4.00 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 33 R 7.45 4.45 0.00 1.89 2.00 0.00 3.68 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 34 N 8.34 4.25 0.00 2.78 2.89 0.00 0.00 6.85 7.89 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 35 L 8.22 4.42 0.00 1.81 1.64 0.82 0.84 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 36 T 7.68 4.93 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 1.41 0.00 0.00 37 K 7.63 3.73 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.50 7.81 38 D 7.64 4.70 0.00 2.76 2.76 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 0.00 0.00 0.00 39 R 6.67 3.49 0.00 1.78 1.70 0.00 2.78 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 40 C 8.69 4.89 0.00 3.16 3.20 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 41 K 8.10 4.24 0.00 1.75 1.71 0.00 1.76 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 42 P 0.00 4.72 0.00 2.14 2.13 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 43 V 7.43 5.55 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 0.48 0.00 0.00 0.94 0.00 0.00 44 N 8.45 4.91 0.00 2.51 2.21 0.00 0.00 6.94 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 45 T 7.45 4.84 3.12 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 0.81 0.00 0.00 46 F 8.69 4.98 0.00 3.03 2.85 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 47 V 9.18 4.33 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 1.06 0.00 0.00 1.15 0.00 0.00 48 H 8.59 6.06 0.00 3.15 3.26 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.91 4.83 0.00 1.97 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 2.25 2.25 0.00 50 S 8.28 4.39 0.00 4.07 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 51 L 8.54 3.97 0.00 1.82 1.75 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.00 4.04 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 53 D 7.67 4.32 0.00 2.81 2.78 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 54 V 7.84 3.78 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 1.24 0.00 0.00 1.12 0.00 0.00 55 Q 8.64 3.93 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 56 A 8.14 4.16 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 57 V 7.57 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 1.04 0.00 0.00 0.98 0.00 0.00 58 C 7.64 3.74 0.00 2.85 2.61 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 59 S 7.41 4.70 0.00 3.96 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 60 Q 7.60 4.63 0.00 1.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.99 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 61 K 7.61 4.10 0.00 1.68 1.72 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 62 N 8.78 4.41 0.00 2.76 2.65 0.00 0.00 7.00 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 63 V 8.61 4.59 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 0.71 0.00 0.00 0.85 0.00 0.00 64 A 8.36 4.23 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 65 C 8.73 4.66 0.00 3.12 2.98 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 66 K 9.01 3.71 0.00 1.74 1.89 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 67 N 7.91 4.62 0.00 2.81 2.90 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.15 4.09 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 0.00 0.00 0.00 69 Q 8.31 4.13 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.63 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 70 T 8.25 4.40 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 1.18 0.00 0.00 71 N 7.80 4.90 0.00 3.12 3.19 0.00 0.00 6.08 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 72 C 7.46 5.47 0.00 2.80 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 73 Y 9.03 5.16 0.00 2.76 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 74 Q 9.17 5.05 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 75 S 8.44 4.51 0.00 3.92 3.80 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 76 Y 8.75 4.51 0.00 3.07 3.02 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 77 S 7.84 4.92 0.00 3.89 3.80 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 78 T 8.06 4.12 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 0.98 0.00 0.00 79 M 8.69 4.91 0.00 1.99 2.01 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 2.52 2.47 0.00 80 S 9.08 4.87 0.00 3.95 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 81 I 8.57 5.26 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.10 1.04 0.00 0.00 82 T 8.12 4.86 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 1.26 0.00 0.00 83 D 9.39 5.16 0.00 2.56 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 84 C 9.00 5.40 0.00 2.69 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 85 R 8.43 5.10 0.00 1.76 1.85 0.00 3.16 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 86 E 8.92 4.35 0.00 2.18 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 2.20 1.90 0.00 87 T 8.47 4.08 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 1.20 0.00 0.00 88 G 8.62 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 0.00 0.00 0.00 89 S 7.32 4.48 0.00 3.94 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 90 S 7.88 4.64 0.00 3.75 3.80 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 91 K 8.59 4.59 0.00 1.83 1.65 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.36 7.81 92 Y 8.71 4.40 0.00 2.85 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 93 P 0.00 3.32 0.00 1.77 1.42 0.00 3.53 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.47 0.00 94 N 7.80 4.59 0.00 2.90 2.73 0.00 0.00 6.90 7.80 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 95 C 8.35 4.61 0.00 3.09 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 96 A 8.51 5.03 1.11 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 0.00 0.00 97 Y 9.03 5.22 0.00 2.89 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 98 K 9.38 4.42 0.00 1.73 1.81 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 99 T 8.55 4.29 4.32 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 1.27 0.00 0.00 100 T 8.59 4.47 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 1.23 0.00 0.00 101 Q 8.74 4.65 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 102 A 7.88 4.38 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 0.00 103 N 8.88 5.40 0.00 2.57 2.75 0.00 0.00 6.68 7.61 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 0.00 104 K 8.66 4.76 0.00 1.71 1.83 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.09 4.71 0.00 3.19 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.62 4.88 1.67 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.87 1.14 0.00 0.00 107 I 8.23 5.03 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.83 0.00 0.00 108 V 8.65 4.75 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 0.56 0.00 0.00 0.77 0.00 0.00 109 A 8.81 5.05 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 0.00 110 C 8.50 5.19 0.00 1.89 1.75 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 0.00 111 E 8.57 4.83 0.00 2.09 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 2.10 2.20 0.00 112 G 9.85 3.83 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 0.00 0.00 0.00 113 N 8.15 4.78 0.00 2.62 2.70 0.00 0.00 6.90 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.39 0.00 2.24 2.06 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 115 Y 8.37 4.63 0.00 2.79 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 0.00 116 V 8.02 4.45 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 0.66 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.35 0.00 0.54 1.13 0.00 3.33 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 118 V 8.81 4.47 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 0.62 0.00 0.00 0.96 0.00 0.00 119 H 7.80 4.91 0.00 3.28 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.73 4.86 0.00 2.78 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 0.00 121 D 8.65 4.55 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 6.70 4.62 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 0.00 123 S 8.80 5.01 0.00 3.94 4.10 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 0.00 0.00 0.00 0.00 124 V 8.74 4.13 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 0.77 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.