NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0609 7.8827 121.4404 61.1509 38.4461 173.7837 17 V 4.2834 8.1939 125.2248 61.5928 33.1253 173.6038 18 G 3.9646 9.0133 114.4713 46.4418 0.0000 173.6495 19 G 4.3868 7.7512 108.1137 45.5136 0.0000 172.8650 20 Y 5.0311 8.1915 119.9628 55.7339 42.1202 174.9317 21 T 4.3327 8.5861 117.5578 63.7843 68.7922 175.3398 22 C 4.4734 8.5958 124.9393 56.6872 42.2185 174.4888 23 G 3.7487 8.5027 109.9656 44.9813 0.0000 173.0810 24 A 4.2890 8.5595 124.1051 53.6486 18.4179 177.1711 25 N 4.2421 9.2118 120.3443 54.6838 36.6680 175.7082 26 T 4.1844 7.9697 108.4852 62.9500 69.7772 175.1024 27 V 3.9586 7.0191 121.7296 60.3209 31.3430 173.6362 28 P 4.5139 0.0000 0.0000 63.7263 32.1620 178.1667 29 Y 5.2019 6.7491 115.9421 56.7964 38.8915 174.7840 30 Q 4.5932 6.9868 123.5090 56.3183 29.7049 175.3549 31 V 4.8650 8.9233 118.3785 59.7100 36.7252 174.0273 32 S 5.1442 8.7855 115.9272 56.6465 65.3453 172.5072 33 L 4.6762 8.6881 127.1225 53.3675 43.4027 175.0074 34 N 5.7597 9.0107 122.2347 50.3129 42.2643 174.7185 *37 S 4.4805 8.4819 119.4603 58.7008 63.6486 173.5432 38 G 4.0223 8.6106 112.4420 46.1417 0.0000 173.9983 39 Y 4.8240 6.9170 115.7163 55.2992 40.8267 173.1850 40 H 4.4433 8.9169 120.8819 56.5298 30.1676 174.5672 41 F 5.0743 8.2151 119.7187 56.7412 39.6634 173.8513 42 C 4.7150 7.0052 115.2340 55.8246 44.9318 173.2842 43 G 4.2816 8.2611 108.3043 45.4890 0.0000 172.1326 44 G 4.2941 8.1794 105.0938 45.8068 0.0000 172.6502 45 S 5.4171 8.8493 115.7606 56.3867 66.6838 173.5397 46 L 4.8051 9.2926 128.0337 54.8141 42.3789 177.1221 47 I 4.1968 8.5359 119.9307 61.0931 38.8619 174.5814 48 N 4.5552 7.6710 117.3790 52.0438 39.3817 175.1725 49 S 4.2031 8.5536 112.6454 60.9080 62.9611 175.2517 50 Q 4.6139 8.2258 117.2534 55.0724 30.9889 174.9223 51 W 5.4604 8.3471 119.6966 54.7451 33.3671 174.4783 52 V 5.0547 9.2685 123.5370 61.0687 34.5274 174.3236 53 V 4.9069 8.8926 127.0402 60.5460 33.9893 174.9864 54 S 4.7944 8.9382 117.2287 57.6404 66.1375 172.1386 55 A 4.8298 8.4548 120.6846 50.7678 20.2224 178.5157 56 A 3.8084 8.2855 124.0849 55.2628 18.4522 179.2695 57 H 4.5619 8.0656 109.2985 57.3602 28.7347 175.3350 58 C 4.7680 7.8179 117.1984 57.2715 40.4346 173.2423 59 Y 4.2439 7.7240 122.4160 57.6726 38.8567 175.3300 60 K 4.0612 6.9179 124.2170 54.8212 36.1480 175.7990 61 S 4.0615 8.0866 116.9974 59.1631 63.7388 173.8097 62 G 3.8357 8.6043 108.6896 46.6262 0.0000 173.8783 63 I 4.1646 7.5612 119.8254 61.1339 38.5520 175.0981 64 Q 4.8880 9.0036 124.2788 54.1220 32.3389 174.4791 65 V 4.5952 8.9913 123.7324 61.3611 33.8305 174.2271 66 R 4.5020 8.7025 128.7031 54.5179 31.7990 174.7218 67 L 4.8609 8.5997 125.8723 52.6823 46.0639 177.5588 *69 G 3.8513 8.5115 108.1077 44.8561 0.0000 172.2861 70 E 4.5793 7.9242 119.5392 54.0977 32.2607 174.9760 71 D 4.6246 8.9553 126.6982 56.9573 39.9514 175.8695 72 N 5.1793 8.3933 118.6500 52.5031 39.4523 175.5250 73 I 3.2677 8.7182 126.4276 62.7471 38.2423 176.0913 74 N 4.6023 8.3132 116.4979 54.2496 39.3014 175.9041 75 V 3.5990 7.0666 116.1408 63.2641 31.9203 175.2222 76 V 4.4962 7.9046 125.2323 62.1594 33.7418 174.4387 77 E 3.9074 10.2164 128.9134 57.5739 29.4421 175.0761 78 G 4.1438 8.7342 110.4055 45.4917 0.0000 175.5105 79 N 4.9537 8.3563 122.0800 52.6038 39.0074 173.8022 80 E 4.5699 8.0319 117.2365 56.1669 31.1991 176.0015 81 Q 4.6899 8.9200 119.6444 54.1648 32.5571 174.3885 82 F 5.0837 8.9438 121.8878 55.8367 41.2087 175.0234 83 I 4.6761 8.8296 124.8085 59.3209 40.7496 175.5264 84 S 4.6214 8.7378 122.5293 58.2870 64.2786 173.2051 85 A 4.5081 8.6316 126.1502 52.0791 18.1162 177.7610 86 S 4.4814 9.1313 118.0208 59.6483 64.6404 175.0029 87 K 4.6812 7.6354 118.5341 54.8580 36.6644 175.7826 88 S 4.9462 8.8248 119.1358 57.1407 65.7357 173.5921 89 I 4.3234 9.2233 127.6957 59.4790 38.0813 175.6859 90 V 4.1037 8.1845 127.3517 62.2339 32.7120 175.2043 91 H 4.2629 8.7837 126.8338 55.9158 30.1989 174.4770 92 P 4.4194 0.0000 0.0000 65.0170 31.2265 176.9459 93 S 4.7562 8.1114 113.8395 58.2145 63.1887 173.1942 94 Y 4.5015 8.2156 123.1279 57.7917 39.0151 174.5502 95 N 4.5846 8.3130 125.4865 51.4856 40.0557 174.7887 96 S 4.0403 7.8845 119.1746 58.8077 63.5733 174.2602 97 N 4.5736 8.7088 120.3449 55.7582 39.3975 176.0094 98 T 4.0551 7.9567 105.4112 61.8740 69.5468 175.3272 99 L 3.8898 8.0940 120.6908 55.1162 39.9074 173.9820 100 N 4.4393 7.8178 117.6972 54.6017 39.5686 174.4405 101 N 4.1088 8.5750 119.4059 54.6853 35.9532 175.6823 102 D 4.6783 7.9412 117.6787 52.8607 39.7922 174.7688 103 I 4.8599 7.3628 120.9918 59.4589 42.2910 172.6975 104 M 5.2983 9.3565 126.8418 54.0509 36.4345 173.2770 105 L 5.3819 9.1172 124.2096 53.0719 45.0981 175.3605 106 I 4.9805 9.2308 124.4421 59.3963 40.3804 174.2737 107 K 3.7548 8.5521 128.6640 54.2991 33.7054 175.4839 108 L 4.4537 8.3650 127.9579 54.1426 41.9135 177.1922 109 K 4.1512 8.7982 124.7569 59.0196 32.6131 176.9898 110 S 4.6448 7.7059 111.2823 55.8069 66.1801 173.0761 111 A 4.3967 8.3844 123.1533 51.9851 18.7188 177.2837 112 A 4.2698 8.9010 124.6135 51.6014 19.7456 177.5377 113 S 4.3734 8.2764 116.4521 58.0177 63.3613 174.2803 114 L 4.6581 8.4912 125.8470 54.1442 42.8762 176.5143 115 N 4.6180 9.0522 119.9577 53.1236 40.2667 175.3339 116 S 4.0387 8.8470 112.3438 61.7391 62.9732 175.4662 117 R 4.1198 8.8963 119.5483 57.2299 30.4880 176.0383 118 V 4.5391 7.7867 116.6381 60.9129 33.3856 173.7087 119 A 5.1211 8.6080 128.5392 50.2387 22.8707 175.2936 120 S 4.9844 8.7312 114.4719 57.9302 64.8336 172.9989 121 I 4.4078 8.2409 121.3360 59.0222 39.6708 175.6285 122 S 4.2875 8.4702 124.9272 58.2927 63.4665 174.2546 123 L 4.2567 8.1409 124.0631 53.4338 42.2774 175.3318 124 P 4.4261 0.0000 0.0000 63.3588 31.9812 176.4087 125 T 4.0989 8.2534 115.8258 64.8078 69.4762 175.0665 *127 S 4.5664 7.5523 113.4027 57.8345 64.0505 174.0698 128 C 4.3497 8.3817 117.9356 56.7462 40.5688 173.8292 129 A 4.3270 8.0366 125.2665 51.8799 19.3181 177.1350 130 S 4.4965 8.0983 114.8676 56.8564 65.0012 173.7449 *132 A 4.3033 8.2074 124.7497 53.4410 19.3401 176.2647 133 G 4.1084 9.2989 109.5679 45.5871 0.0000 174.7228 134 T 3.9810 7.6306 116.6546 63.9966 69.4275 173.8337 135 Q 4.7342 8.6175 124.8306 55.7630 30.0755 175.7528 136 C 5.1402 9.4093 119.7916 55.1632 45.4255 172.4735 137 L 5.1811 8.5377 122.0401 53.6643 43.3517 175.3149 138 I 4.7553 8.9311 127.9404 59.5993 39.8626 174.9936 139 S 4.8831 8.6198 119.4764 56.3867 66.5520 173.0449 140 G 3.7373 7.3448 108.6195 46.1494 0.0000 172.8636 141 W 4.6251 8.5310 117.0408 56.2994 29.3311 177.1708 142 G 4.0961 7.9340 108.5192 44.3976 0.0000 173.3121 143 N 3.3097 8.3846 117.5976 54.0887 38.9014 174.4039 144 T 5.0655 8.0224 113.1548 60.5025 69.5151 174.2964 145 K 4.5932 7.7843 121.7277 54.8331 34.5350 176.2408 146 S 4.3842 8.6441 117.2301 59.5143 63.8400 174.7564 147 S 4.6406 8.1486 114.1214 58.2164 64.5422 174.0844 148 G 4.2478 7.7226 109.9193 45.2783 0.0000 173.0840 149 T 4.6385 8.3559 120.5669 62.1292 72.3597 174.3049 150 S 4.4298 9.6145 122.3534 57.8700 64.6862 171.7405 151 Y 4.7875 8.5471 124.4985 56.0371 38.7574 174.0371 152 P 4.6390 0.0000 0.0000 62.7255 32.8218 175.7306 153 D 4.7108 8.6729 118.5390 55.8263 42.2182 176.7127 154 V 5.1325 7.6893 109.8005 58.8346 35.0142 175.6325 155 L 3.2448 8.5806 125.2546 55.3284 42.9775 176.1124 156 K 4.9001 8.2122 124.9909 54.9513 35.0824 174.6223 157 C 5.1778 8.7764 120.0040 55.1984 41.6491 172.9481 158 L 4.8957 8.5060 122.2893 53.7989 45.6867 174.3578 159 K 5.1935 8.8848 125.2344 54.9901 33.6150 175.6571 160 A 4.8936 8.9432 126.3451 49.6349 22.7480 173.2055 161 P 5.1681 0.0000 0.0000 61.8384 33.9005 175.1877 162 I 4.1968 8.5665 123.0018 61.4981 38.1128 175.4885 163 L 4.9602 8.8657 127.2298 53.1864 43.3451 177.0735 164 S 4.3193 8.5487 115.7563 58.3809 63.7466 175.2675 165 D 4.4719 8.7168 122.1981 57.4117 40.5355 179.2892 166 S 4.1305 8.0139 114.7450 61.4673 63.1898 176.3739 167 S 4.1135 8.0953 116.7019 60.9764 62.1078 175.3254 168 C 4.3637 8.3964 121.2937 59.8217 41.7374 175.8314 169 K 3.9509 8.3863 120.2009 59.4983 31.3339 179.6331 170 S 4.2435 7.9688 114.7831 61.3836 62.7844 176.1913 171 A 4.0484 7.8858 122.8471 53.7424 19.7727 177.3313 172 Y 4.7620 7.9279 114.4480 54.7287 38.3040 172.1322 173 P 4.4956 0.0000 0.0000 63.2640 32.2019 176.7624 174 G 4.0117 9.0114 109.8195 46.3315 0.0000 173.8142 175 Q 4.4853 8.0541 117.5148 55.2718 30.9594 175.7288 176 I 4.1396 7.7732 119.1048 60.1334 37.7706 175.6658 177 T 4.4496 8.1206 116.3158 59.9160 70.5457 175.4288 178 S 4.3532 8.5125 114.8982 60.2293 63.0735 174.3821 179 N 4.9658 7.9470 118.0341 53.1956 38.5174 174.2461 180 M 4.9631 7.7671 116.8026 53.8111 36.0588 174.6288 181 F 5.0159 7.9578 113.9456 55.9122 40.9895 174.2507 182 C 5.0020 8.8374 119.2181 55.9910 37.0941 172.4418 183 A 5.3062 7.6733 121.5370 50.2915 22.6980 176.4877 *1184 G 4.3438 8.5264 106.6668 46.6346 0.0000 172.7682 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 16 I 7.88 4.06 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.80 0.00 0.00 17 V 8.19 4.28 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 0.81 0.00 0.00 0.91 0.00 0.00 18 G 9.01 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 0.00 0.00 0.00 19 G 7.75 4.39 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 0.00 20 Y 8.19 5.03 0.00 3.03 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 21 T 8.59 4.33 4.30 0.00 0.00 0.00 0.00 0.00 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 22 C 8.60 4.47 0.00 2.76 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 23 G 8.50 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 24 A 8.56 4.29 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 25 N 9.21 4.24 0.00 2.87 2.90 0.00 0.00 7.10 8.40 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 26 T 7.97 4.18 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 1.30 0.00 0.00 27 V 7.02 3.96 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.74 0.00 0.00 28 P 0.00 4.51 0.00 2.37 2.44 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 29 Y 6.75 5.20 0.00 3.23 3.40 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 30 Q 6.99 4.59 0.00 1.67 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 1.68 2.31 0.00 31 V 8.92 4.86 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 0.90 0.00 0.00 1.00 0.00 0.00 32 S 8.79 5.14 0.00 3.43 3.35 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 33 L 8.69 4.68 0.00 0.54 1.09 0.76 0.30 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 34 N 9.01 5.76 0.00 2.77 2.90 0.00 0.00 6.67 7.24 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 *37 S 8.48 4.48 0.00 3.57 3.32 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 38 G 8.61 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 39 Y 6.92 4.82 0.00 3.07 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 40 H 8.92 4.44 0.00 2.96 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.22 5.07 0.00 2.99 2.90 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 42 C 7.01 4.72 0.00 1.89 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 43 G 8.26 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.18 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 0.00 0.00 0.00 0.00 45 S 8.85 5.42 0.00 3.78 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 46 L 9.29 4.81 0.00 1.82 1.65 1.07 0.68 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 47 I 8.54 4.20 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 1.64 0.91 0.93 0.00 0.00 48 N 7.67 4.56 0.00 2.94 2.99 0.00 0.00 6.00 7.76 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 49 S 8.55 4.20 0.00 4.19 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 0.00 50 Q 8.23 4.61 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 51 W 8.35 5.46 0.00 3.19 3.08 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 52 V 9.27 5.05 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 1.09 0.00 0.00 0.97 0.00 0.00 53 V 8.89 4.91 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 0.75 0.00 0.00 1.01 0.00 0.00 54 S 8.94 4.79 0.00 3.85 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 55 A 8.45 4.83 1.16 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 0.00 0.00 56 A 8.29 3.81 0.32 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 57 H 8.07 4.56 0.00 3.41 3.59 0.00 5.55 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 58 C 7.82 4.77 0.00 3.17 3.23 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 59 Y 7.72 4.24 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.92 4.06 0.00 1.41 1.26 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.33 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.01 1.22 7.81 61 S 8.09 4.06 0.00 3.94 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 62 G 8.60 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 0.00 0.00 0.00 63 I 7.56 4.16 1.86 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 1.53 0.70 0.94 0.00 0.00 64 Q 9.00 4.89 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 65 V 8.99 4.60 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 0.96 0.00 0.00 0.90 0.00 0.00 66 R 8.70 4.50 0.00 1.23 1.38 0.00 2.62 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 67 L 8.60 4.86 0.00 1.56 1.51 0.90 0.75 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 *69 G 8.51 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 70 E 7.92 4.58 0.00 1.90 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 2.13 2.68 0.00 71 D 8.96 4.62 0.00 2.84 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 72 N 8.39 5.18 0.00 2.81 2.80 0.00 0.00 6.77 7.47 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 73 I 8.72 3.27 0.66 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.42 0.81 0.00 0.00 74 N 8.31 4.60 0.00 2.83 2.84 0.00 0.00 6.88 8.54 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 75 V 7.07 3.60 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 0.80 0.00 0.00 1.01 0.00 0.00 76 V 7.90 4.50 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 0.88 0.00 0.00 1.04 0.00 0.00 77 E 10.22 3.91 0.00 2.11 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 2.22 2.40 0.00 78 G 8.73 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 0.00 0.00 0.00 79 N 8.36 4.95 0.00 2.85 2.85 0.00 0.00 7.02 7.56 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 80 E 8.03 4.57 0.00 1.87 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 2.18 2.14 0.00 81 Q 8.92 4.69 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 82 F 8.94 5.08 0.00 2.87 2.91 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 0.00 0.00 0.00 83 I 8.83 4.68 1.85 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 1.24 0.87 0.94 0.00 0.00 84 S 8.74 4.62 0.00 3.76 3.76 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 85 A 8.63 4.51 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 86 S 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0.00 0.00 0.00 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 N 8.31 4.58 0.00 2.63 2.50 0.00 0.00 6.67 7.63 0.00 0.00 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 S 7.88 4.04 0.00 3.99 3.76 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 97 N 8.71 4.57 0.00 2.58 2.93 0.00 0.00 7.11 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 98 T 7.96 4.06 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 1.18 0.00 0.00 99 L 8.09 3.89 0.00 1.82 1.92 0.88 1.36 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 0.00 100 N 7.82 4.44 0.00 2.75 2.67 0.00 0.00 7.22 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 0.00 101 N 8.58 4.11 0.00 3.11 2.76 0.00 0.00 6.92 8.06 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 0.00 102 D 7.94 4.68 0.00 3.03 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 111 A 8.38 4.40 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 0.00 112 A 8.90 4.27 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 0.00 113 S 8.28 4.37 0.00 3.83 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 0.00 114 L 8.49 4.66 0.00 1.65 1.62 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 N 9.05 4.62 0.00 2.84 2.88 0.00 0.00 6.76 5.12 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 0.00 116 S 8.85 4.04 0.00 3.89 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 0.00 117 R 8.90 4.12 0.00 2.00 1.96 0.00 3.07 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.56 0.00 118 V 7.79 4.54 2.26 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 1.00 0.00 0.00 0.93 0.00 0.00 119 A 8.61 5.12 1.32 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1.29 7.81 146 S 8.64 4.38 0.00 3.97 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 0.00 147 S 8.15 4.64 0.00 3.83 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 0.00 148 G 7.72 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 0.00 0.00 0.00 0.00 149 T 8.36 4.64 4.31 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 1.45 0.00 0.00 150 S 9.61 4.43 0.00 3.79 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.55 4.79 0.00 2.95 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 0.00 152 P 0.00 4.64 0.00 2.46 2.08 0.00 4.09 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 153 D 8.67 4.71 0.00 2.68 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 0.00 154 V 7.69 5.13 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 0.75 0.00 0.00 0.97 0.00 0.00 155 L 8.58 3.24 0.00 1.34 1.28 -0.71 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.21 4.90 0.00 1.67 1.49 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.47 7.81 157 C 8.78 5.18 0.00 1.80 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 0.00 0.00 0.00 0.00 158 L 8.51 4.90 0.00 1.63 1.37 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.88 5.19 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 160 A 8.94 4.89 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 0.00 161 P 0.00 5.17 0.00 2.15 2.36 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 162 I 8.57 4.20 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.84 0.00 0.00 163 L 8.87 4.96 0.00 1.58 1.64 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.55 4.32 0.00 4.01 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 0.00 165 D 8.72 4.47 0.00 2.74 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 0.00 166 S 8.01 4.13 0.00 4.06 4.13 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 0.00 167 S 8.10 4.11 0.00 3.97 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 0.00 168 C 8.40 4.36 0.00 3.28 3.33 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 0.00 169 K 8.39 3.95 0.00 1.86 1.88 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.73 7.81 170 S 7.97 4.24 0.00 4.01 3.91 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 0.00 0.00 0.00 171 A 7.89 4.05 1.09 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 0.00 172 Y 7.93 4.76 0.00 3.08 2.92 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 0.00 173 P 0.00 4.50 0.00 2.06 2.04 0.00 3.88 0.00 0.00 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 174 G 9.01 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 0.00 175 Q 8.05 4.49 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.34 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 176 I 7.77 4.14 1.92 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 1.75 0.90 0.96 0.00 0.00 177 T 8.12 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 1.21 0.00 0.00 178 S 8.51 4.35 0.00 4.02 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 0.00 179 N 7.95 4.97 0.00 2.77 2.86 0.00 0.00 6.71 7.55 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 0.00 180 M 7.77 4.96 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 181 F 7.96 5.02 0.00 3.04 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 0.00 182 C 8.84 5.00 0.00 3.02 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 0.00 183 A 7.67 5.31 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 *1184 G 8.53 4.34 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 0.00 * Residues marked with a * may have inaccurate shift predictions.