NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5277 8.1627 120.3614 55.9802 34.4164 177.2890 2 M 3.9501 8.1218 117.5451 57.9620 32.2729 176.1427 3 D 4.3446 8.3905 117.9488 57.4704 41.7973 177.0704 4 Y 4.1323 7.9306 119.5786 60.7660 38.8599 177.7459 5 L 3.7473 8.3727 120.2904 57.5476 41.4359 179.6395 6 I 3.9379 7.8137 119.4276 64.7417 37.2467 178.4147 7 T 4.1194 8.1205 109.2831 63.7875 68.7356 175.1678 8 Q 4.3085 7.6499 118.7233 54.6353 29.3287 175.4197 9 N 4.0985 7.9903 113.4672 54.3109 36.2342 174.7323 10 G 4.0207 8.8515 100.4288 45.1643 0.0000 174.7688 11 G 3.8936 7.7937 109.9033 47.3755 0.0000 175.6063 12 M 4.0224 8.1867 120.1965 59.0893 32.0393 178.4969 13 V 3.5336 7.5810 111.7953 64.3114 31.6120 178.4697 14 F 4.4610 7.9200 116.8095 60.1349 38.8183 177.7914 15 A 4.1244 8.1120 120.2874 54.8864 18.2155 179.7257 16 V 3.4962 7.9844 117.0195 66.1152 31.6359 177.9821 17 L 4.0103 8.0469 119.9119 58.0309 41.8298 178.8549 18 A 4.1725 8.0755 122.0603 54.9727 18.3947 179.4801 19 M 4.0040 8.0647 116.9790 58.3922 32.0086 178.8484 20 A 3.9728 8.1769 121.0740 55.3220 18.1785 179.6426 21 T 4.0019 8.4385 108.4794 65.1582 68.2788 176.2597 22 A 4.0902 8.2149 124.0774 54.9664 18.4171 179.8340 23 T 3.7862 7.9427 114.0302 66.8764 68.5385 177.0946 24 I 3.5228 8.0187 121.9329 64.5864 37.2725 178.7053 25 F 4.1058 7.7743 118.2272 60.2938 38.7164 178.1311 26 S 4.3095 7.8431 114.0361 61.3730 62.8644 176.7786 27 G 3.6061 8.2361 109.4420 47.5200 0.0000 175.7383 28 I 3.7976 8.1170 122.6487 63.9463 37.1310 178.6902 29 G 3.6248 7.9426 106.1776 48.0117 0.0000 175.9468 30 S 4.5887 8.3999 119.0687 60.6690 62.7826 176.5500 31 A 3.9280 8.3594 123.8817 55.1872 18.0761 179.9278 32 K 4.0222 8.3673 117.1982 59.4355 32.1352 179.9910 33 G 3.5463 8.1380 105.9998 47.8715 0.0000 176.0146 34 V 3.9483 8.0353 123.2388 64.8741 31.5114 178.0996 35 G 3.6351 8.3764 105.8530 48.2268 0.0000 175.2200 36 M 4.2148 8.4895 121.7986 58.4969 32.2098 178.5503 37 T 4.0653 8.1139 116.0430 66.3514 68.4910 177.0262 38 G 3.6526 8.3491 108.1600 47.7620 0.0000 175.6189 39 E 3.9701 8.3734 120.6574 59.2088 29.4964 179.3562 40 A 3.9973 7.9028 120.2743 55.0591 18.4299 179.5569 41 A 3.9545 8.4860 119.5786 55.1958 18.3113 179.7665 42 A 3.9699 8.4644 119.5071 55.2590 18.2454 179.7328 43 A 3.9566 7.8264 118.3879 55.1657 18.7198 179.3083 44 L 4.0675 8.0036 118.9512 58.6496 40.7178 179.3616 45 T 4.2231 8.0031 115.6617 66.3014 68.0954 176.6727 46 T 4.1097 7.6601 111.6656 63.7937 68.7239 175.1050 47 S 4.6269 7.5282 112.5055 58.4679 65.7256 174.3445 48 Q 4.7603 8.4019 119.4839 53.4936 28.6177 174.2531 49 P 4.4674 0.0000 0.0000 64.7826 32.2006 178.9581 50 E 4.1408 8.1776 116.0965 58.1601 29.8845 177.2750 51 K 4.4875 8.0039 119.3878 56.4999 32.5574 177.9496 52 F 4.3158 8.2856 124.3225 61.5040 39.0619 177.3990 53 G 3.4728 8.1379 104.6197 48.0592 0.0000 175.5182 54 Q 3.9710 7.9760 120.0347 58.3647 28.7780 178.4626 55 A 3.9489 7.9455 122.0241 54.9598 18.4937 179.4756 56 L 3.7135 7.8585 119.2829 58.0437 41.8301 179.2204 57 I 3.6184 7.1293 118.6634 64.4097 37.2159 177.9843 58 L 4.0969 7.7656 119.7014 57.9023 41.2264 179.3666 59 Q 3.9413 8.0777 119.4258 59.1211 28.9493 178.1477 60 L 4.1937 7.7262 118.8065 56.3993 41.4942 178.9636 61 L 3.9380 7.2874 119.0133 57.6760 41.7787 177.0986 62 P 5.2794 0.0000 0.0000 62.6625 30.8008 177.9265 63 G 3.8631 8.1976 106.9890 46.0080 0.0000 176.2226 64 T 3.7701 7.7100 111.5702 63.9179 69.0966 176.5286 65 Q 4.3371 8.3039 121.1268 59.3729 28.8129 179.4212 66 G 3.6852 8.3836 106.3937 47.5411 0.0000 175.8478 67 L 3.9738 7.1477 118.5128 57.8049 41.5664 178.7785 68 Y 4.2830 7.8440 117.1530 61.2324 37.7784 179.1471 69 G 4.2714 8.2761 107.6900 47.3379 0.0000 175.2469 70 F 4.1679 8.4190 123.3484 61.0704 39.3262 177.3027 71 V 3.7324 8.4217 117.9710 66.1888 31.4033 177.9594 72 I 3.8052 8.4603 119.4811 64.5207 37.0146 178.2587 73 A 4.0181 8.3562 121.7855 55.1844 18.1628 179.5017 74 F 3.9734 8.3242 119.3011 61.0876 39.1771 177.2565 75 L 3.9647 8.1046 119.6505 58.0016 42.1314 178.7538 76 I 3.5789 7.8126 119.9175 63.9814 36.8582 177.8571 77 F 3.9201 7.9538 122.2380 61.2334 39.1025 177.0233 78 I 3.5162 7.1847 110.9633 62.3895 37.4682 176.0536 79 N 4.7856 7.5967 118.0698 52.9245 38.5840 174.8195 80 L 4.5255 7.2309 117.0950 55.4120 41.1243 178.1651 81 G 3.8522 7.6769 109.1208 45.0346 0.0000 172.9193 82 S 4.6694 7.3240 115.5816 57.4904 65.6420 174.2576 83 D 4.8523 8.3547 112.8162 52.7095 39.0223 175.9314 84 M 4.0416 8.0265 119.2388 56.7882 33.2686 175.5428 85 S 4.3665 8.4977 120.8476 57.9068 65.5677 175.3592 86 V 3.7441 8.2892 122.0099 66.1134 31.2093 178.1878 87 V 3.4814 7.8035 117.5131 66.2485 31.3598 177.5946 88 Q 3.9121 7.9448 118.9406 58.9976 28.8808 178.4290 89 G 3.9211 8.3182 106.7149 48.1124 0.0000 175.7367 90 L 3.9605 8.4096 122.2135 57.2606 41.4596 179.3443 91 N 4.2627 8.3823 116.8605 56.3299 38.4235 177.4357 92 F 4.2716 8.1837 119.1423 60.3296 38.7601 177.4364 93 L 4.1751 8.1015 119.1719 58.2832 42.1322 178.9465 94 G 3.7745 8.5659 105.8276 47.8438 0.0000 175.4579 95 A 4.0712 8.3097 123.3914 54.7256 18.4766 179.5515 96 S 4.3171 8.0318 111.9906 60.6864 63.3155 176.7269 97 L 4.1936 7.7593 123.4781 57.3406 41.3875 177.2258 98 P 4.3541 0.0000 0.0000 65.9533 31.3676 178.5154 99 I 3.8504 7.9433 116.9202 63.7531 37.8684 177.5939 100 A 3.9483 7.9681 121.3808 55.2722 18.2131 179.3360 101 F 4.5384 8.3166 115.6901 59.9360 39.3657 178.6235 102 T 4.2527 8.3127 109.8558 64.5741 68.4760 176.9139 103 G 3.7236 8.3971 108.6218 47.5816 0.0000 175.1491 104 L 3.9813 8.0317 123.5982 58.0393 42.1168 179.2189 105 F 4.2646 8.4146 117.6898 60.3536 38.9338 178.1331 106 S 4.4483 8.6205 114.2479 61.1013 62.9168 176.7780 107 G 3.6626 8.2561 109.4920 47.7452 0.0000 175.7525 108 I 3.7225 7.6083 122.2866 64.0206 36.9276 178.3863 109 A 4.0601 8.1642 121.5848 55.3196 18.2434 179.5004 110 Q 4.0754 8.7600 118.6659 59.1700 29.0781 178.4153 111 G 3.7381 8.2788 106.8712 47.9356 0.0000 175.7739 112 K 4.0424 7.8655 120.6726 59.0991 32.0678 179.7156 113 V 3.5837 7.6340 118.1618 65.9511 31.3775 177.9795 114 A 4.0283 8.4988 120.7820 55.0856 17.9923 179.3944 115 A 3.9391 8.2423 118.4939 55.3791 18.6448 179.4898 116 A 4.1883 8.2481 119.3084 55.1437 18.3835 180.0968 117 G 3.6464 8.2375 104.3362 47.7864 0.0000 175.9651 118 I 3.7830 7.5100 122.2594 64.5487 37.0617 178.4320 119 Q 4.0142 7.9897 119.0412 58.6882 28.3945 178.7207 120 I 3.7295 7.7519 120.5838 64.3499 37.0396 177.8294 121 L 3.8672 7.7504 119.5386 58.1583 41.9006 178.6264 122 A 4.1368 8.0476 119.8646 54.8717 18.4410 179.0215 123 K 4.3370 7.9745 114.9486 57.1428 34.5022 177.6076 124 K 4.7019 8.5055 118.0384 53.4856 32.5065 174.9190 125 P 4.4436 0.0000 0.0000 65.5661 31.7022 179.1423 126 E 4.0841 8.1647 115.0466 58.2507 29.9710 176.8616 127 H 4.7676 8.4668 116.8923 55.5937 29.2226 176.1272 128 A 4.0632 7.8409 124.6532 55.6099 17.8856 180.5668 129 T 3.7976 7.9224 113.8813 66.7490 68.4683 176.5257 130 K 3.7180 8.1453 120.5661 59.2999 32.1214 179.5137 131 G 3.7479 8.0070 105.4319 47.7726 0.0000 175.5962 132 I 3.7111 7.5145 122.0024 64.1879 37.0341 178.5131 133 I 3.6183 7.7440 120.5849 64.3742 36.7092 178.2065 134 F 4.5060 7.5548 116.8589 60.9627 39.0477 177.4207 135 A 4.2092 8.1477 119.5634 55.1574 17.9894 179.5080 136 A 4.0792 8.3212 118.4625 55.1873 18.4381 179.4274 137 M 4.2161 7.7096 117.0260 57.8557 32.5286 177.7479 138 V 4.0852 7.6957 120.3501 63.1486 31.4314 177.8117 *140 T 4.0841 7.9822 117.2503 63.7069 70.5499 176.4875 141 Y 4.1394 7.1908 118.2223 60.4736 37.8426 177.9951 142 A 4.1221 8.0606 121.7263 54.9397 18.4905 179.4792 143 I 3.1896 7.5548 117.8455 64.4773 37.2854 178.3995 144 L 4.0718 8.0412 119.8878 57.7422 41.3819 179.8922 145 G 3.7979 8.0855 106.9337 47.1803 0.0000 175.3855 146 F 4.2123 8.6367 123.7152 61.0551 39.2978 177.3752 147 V 3.3873 8.0885 117.9885 66.0025 31.3420 178.0380 148 I 3.6998 7.7994 119.4756 64.4845 36.8690 178.5067 149 S 4.4444 8.1863 117.4095 60.9200 62.7909 176.4556 150 F 3.7549 8.3986 123.4629 61.3452 38.8374 177.1242 151 L 4.0747 8.1859 118.5508 57.9551 41.2010 179.6552 152 L 3.9696 7.8626 117.8844 57.4589 41.6866 179.3902 153 V 3.7970 8.0120 118.6468 66.0947 31.3153 178.2081 154 L 3.9688 7.5367 116.8719 56.6635 41.4191 177.9146 155 N 4.7143 7.1832 114.2045 53.0166 39.1716 174.2503 156 A 3.8225 7.2803 127.5537 52.6437 18.2909 177.7154 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 M 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 2 M 8.12 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.78 0.00 3 D 8.39 4.34 0.00 2.80 2.72 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 4 Y 7.93 4.13 0.00 3.10 3.15 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 0.00 5 L 8.37 3.75 0.00 1.93 1.73 0.89 0.84 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 6 I 7.81 3.94 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 1.60 0.55 0.92 0.00 0.00 7 T 8.12 4.12 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 1.26 0.00 0.00 8 Q 7.65 4.31 0.00 1.56 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 9 N 7.99 4.10 0.00 2.74 2.92 0.00 0.00 7.03 7.65 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 10 G 8.85 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 11 G 7.79 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 12 M 8.19 4.02 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.62 0.00 13 V 7.58 3.53 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 0.61 0.00 0.00 0.16 0.00 0.00 14 F 7.92 4.46 0.00 3.31 3.17 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 15 A 8.11 4.12 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 16 V 7.98 3.50 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 0.99 0.00 0.00 0.97 0.00 0.00 17 L 8.05 4.01 0.00 2.04 2.01 1.01 1.47 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 18 A 8.08 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.06 4.00 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.74 0.00 20 A 8.18 3.97 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 21 T 8.44 4.00 4.47 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 0.00 0.00 0.00 1.43 0.00 0.00 22 A 8.21 4.09 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.94 3.79 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 1.29 0.00 0.00 24 I 8.02 3.52 1.43 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.20 0.00 0.00 25 F 7.77 4.11 0.00 2.81 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 26 S 7.84 4.31 0.00 4.13 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 27 G 8.24 3.61 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 0.00 0.00 0.00 28 I 8.12 3.80 1.97 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.89 0.00 0.00 29 G 7.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.59 0.00 3.88 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 31 A 8.36 3.93 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 32 K 8.37 4.02 0.00 1.87 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 33 G 8.14 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 34 V 8.04 3.95 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 1.19 0.00 0.00 0.97 0.00 0.00 35 G 8.38 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 0.00 0.00 0.00 36 M 8.49 4.21 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 37 T 8.11 4.07 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 1.24 0.00 0.00 38 G 8.35 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 39 E 8.37 3.97 0.00 2.23 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 2.34 2.53 0.00 40 A 7.90 4.00 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 41 A 8.49 3.95 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 42 A 8.46 3.97 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 43 A 7.83 3.96 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 44 L 8.00 4.07 0.00 1.81 1.87 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.00 4.22 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 46 T 7.66 4.11 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 1.29 0.00 0.00 47 S 7.53 4.63 0.00 3.93 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 48 Q 8.40 4.76 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 49 P 0.00 4.47 0.00 2.20 2.41 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.18 4.14 0.00 2.12 2.14 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 2.30 2.29 0.00 51 K 8.00 4.49 0.00 2.03 1.86 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.29 4.32 0.00 3.18 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 53 G 8.14 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.98 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.95 3.95 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 56 L 7.86 3.71 0.00 1.01 1.37 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.13 3.62 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.86 0.00 0.00 58 L 7.77 4.10 0.00 1.84 1.71 0.92 0.77 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 59 Q 8.08 3.94 0.00 2.19 2.19 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 2.33 2.56 0.00 60 L 7.73 4.19 0.00 1.84 1.63 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.29 3.94 0.00 1.80 1.76 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 5.28 0.00 2.25 2.07 0.00 4.06 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 63 G 8.20 3.86 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 0.00 0.00 0.00 64 T 7.71 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.23 1.00 0.00 0.00 73 A 8.36 4.02 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 74 F 8.32 3.97 0.00 2.76 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 75 L 8.10 3.96 0.00 1.87 1.87 0.79 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.81 3.58 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.31 0.00 0.00 77 F 7.95 3.92 0.00 2.95 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 78 I 7.18 3.52 1.69 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 1.32 0.62 0.50 0.00 0.00 79 N 7.60 4.79 0.00 2.85 2.95 0.00 0.00 6.74 8.00 0.00 0.00 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 L 7.23 4.53 0.00 1.43 1.33 0.63 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.68 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 S 7.32 4.67 0.00 3.92 3.77 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 83 D 8.35 4.85 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 84 M 8.03 4.04 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.99 2.65 0.00 85 S 8.50 4.37 0.00 4.09 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 86 V 8.29 3.74 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 0.97 0.00 0.00 1.11 0.00 0.00 87 V 7.80 3.48 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 1.01 0.00 0.00 0.90 0.00 0.00 88 Q 7.94 3.91 0.00 2.10 2.27 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 2.50 2.31 0.00 89 G 8.32 3.92 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 0.00 0.00 0.00 90 L 8.41 3.96 0.00 1.66 1.57 0.67 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.38 4.26 0.00 2.67 2.61 0.00 0.00 6.96 9.00 0.00 0.00 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 F 8.18 4.27 0.00 3.36 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 93 L 8.10 4.18 0.00 1.93 1.96 1.08 1.02 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 94 G 8.57 3.77 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 0.00 0.00 0.00 95 A 8.31 4.07 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.03 4.32 0.00 4.24 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 97 L 7.76 4.19 0.00 1.87 1.98 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.35 0.00 2.35 2.18 0.00 3.76 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 99 I 7.94 3.85 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.43 1.12 0.00 0.00 100 A 7.97 3.95 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 0.00 101 F 8.32 4.54 0.00 3.27 3.30 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 0.00 102 T 8.31 4.25 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 103 G 8.40 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 0.00 104 L 8.03 3.98 0.00 2.02 1.82 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.41 4.26 0.00 3.32 3.15 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 0.00 106 S 8.62 4.45 0.00 4.39 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 0.00 107 G 8.26 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 0.00 0.00 0.00 108 I 7.61 3.72 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.95 0.00 0.00 109 A 8.16 4.06 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.76 4.08 0.00 2.29 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 111 G 8.28 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 0.00 112 K 7.87 4.04 0.00 2.00 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.63 3.58 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 1.14 0.00 0.00 1.03 0.00 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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 0.00 0.00 0.00 0.00 123 K 7.97 4.34 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.62 7.81 124 K 8.51 4.70 0.00 1.75 1.81 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.50 7.81 125 P 0.00 4.44 0.00 2.21 2.42 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 126 E 8.16 4.08 0.00 2.02 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 0.00 1.99 2.17 0.00 127 H 8.47 4.77 0.00 3.30 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.84 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 0.00 129 T 7.92 3.80 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 1.15 0.00 0.00 130 K 8.15 3.72 0.00 1.90 1.55 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.41 7.81 131 G 8.01 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 0.00 132 I 7.51 3.71 2.00 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 0.71 0.88 0.00 0.00 133 I 7.74 3.62 1.69 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 1.44 0.83 0.80 0.00 0.00 134 F 7.55 4.51 0.00 3.21 3.04 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 0.00 135 A 8.15 4.21 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.32 4.08 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 0.00 137 M 7.71 4.22 0.00 2.05 2.40 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 3.01 0.00 138 V 7.70 4.09 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 1.18 0.00 0.00 1.03 0.00 0.00 *140 T 7.98 4.08 3.14 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 0.72 0.00 0.00 141 Y 7.19 4.14 0.00 3.22 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 0.00 142 A 8.06 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.55 3.19 1.90 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 1.54 0.87 0.83 0.00 0.00 144 L 8.04 4.07 0.00 1.74 1.76 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.09 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 0.00 0.00 0.00 146 F 8.64 4.21 0.00 2.79 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 0.00 147 V 8.09 3.39 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 1.02 0.00 0.00 0.96 0.00 0.00 148 I 7.80 3.70 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.90 0.93 0.00 0.00 149 S 8.19 4.44 0.00 4.11 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 0.00 150 F 8.40 3.75 0.00 2.58 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 0.00 151 L 8.19 4.07 0.00 1.90 1.72 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.86 3.97 0.00 1.82 1.69 0.93 0.76 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 0.00 153 V 8.01 3.80 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 1.11 0.00 0.00 1.02 0.00 0.00 154 L 7.54 3.97 0.00 1.76 1.65 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.18 4.71 0.00 2.70 2.75 0.00 0.00 7.16 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 0.00 156 A 7.28 3.82 0.19 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 * Residues marked with a * may have inaccurate shift predictions.