NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2583 8.1593 117.3737 63.5654 69.7984 173.4210 2 S 4.4407 8.2749 120.4320 55.7816 65.3834 173.2365 3 K 4.0305 9.3813 121.6714 59.6946 32.8592 179.5940 4 K 3.8734 8.0941 118.2112 59.5951 31.8022 178.9380 5 K 4.0819 7.6580 117.5553 58.5106 32.1462 177.8981 6 R 4.4266 7.4918 116.1049 56.5433 30.5884 177.7211 7 Q 4.0894 7.9255 119.6714 57.3731 28.4589 176.4771 8 R 3.9984 7.5217 119.0088 58.2016 30.2447 176.6894 9 G 4.0619 9.0896 111.9877 45.2396 0.0000 174.1991 10 S 4.1517 8.0589 113.8187 58.9980 63.3480 174.4018 11 R 4.2197 8.0196 124.8142 56.7134 29.1908 176.4666 12 T 4.2941 7.6323 104.8569 61.3402 69.5613 174.3548 13 H 4.4503 8.4076 117.7031 55.8418 26.9267 175.7327 14 G 3.9348 8.6030 105.1072 45.6591 0.0000 175.0647 15 G 3.8284 8.2610 107.6809 45.3936 0.0000 176.1047 16 G 3.9308 7.8483 106.9104 44.8838 0.0000 174.2909 17 S 4.1075 8.7053 117.4710 58.8425 62.5222 174.8727 18 H 4.3692 8.8811 121.9593 57.3517 28.2796 175.9089 19 K 4.0589 7.5368 118.5127 57.1701 31.9147 177.6912 20 N 4.3323 7.8516 117.8220 55.9952 39.1434 177.1404 21 R 4.4718 7.4793 119.6706 56.2147 29.3106 177.0044 22 R 4.4788 7.7190 121.3467 56.1112 30.5435 180.1909 23 G 4.1990 8.6514 122.6296 45.5927 0.0000 174.0443 24 A 4.2504 8.6479 120.6948 54.4713 18.3845 179.9617 25 G 3.5356 8.0527 104.3682 47.9085 0.0000 175.1197 26 H 4.4723 8.0857 118.6858 57.9746 29.9619 176.3545 27 R 4.5152 7.7635 117.0597 55.1699 30.8408 176.2334 28 G 3.8285 7.7416 106.9288 46.3579 0.0000 172.9936 29 G 4.0532 7.7527 105.0198 43.1215 0.0000 174.3181 30 R 4.1192 8.6734 120.3527 56.5510 31.7364 176.0075 31 G 3.9306 8.2629 115.0092 47.4835 0.0000 173.4617 32 D 4.7230 8.7544 124.4492 53.5943 40.6395 175.3804 33 A 4.1114 7.4240 123.4335 53.8275 18.7257 178.5841 34 G 3.7736 8.9297 111.2377 46.4547 0.0000 175.3826 35 R 3.8750 7.5640 115.6971 57.6457 29.4491 177.0782 36 D 4.9328 7.8466 116.2138 53.7384 43.6812 174.6538 37 K 4.3718 8.5481 114.7160 56.6628 33.0915 176.8558 38 H 4.6891 9.5132 124.1126 57.8261 30.5029 176.4400 39 E 4.7729 7.7160 120.5382 55.5408 30.6580 178.0873 40 F 4.6563 8.3962 115.6548 59.4656 38.3358 175.1813 41 H 3.6832 6.0973 115.4023 57.3671 28.7759 174.4158 42 N 4.2434 8.7594 118.9148 54.7077 36.1132 173.6637 43 H 4.9472 7.5608 112.1906 53.6989 31.8338 173.9807 44 E 4.2183 8.6782 123.0467 55.1238 30.0889 175.2580 45 P 4.4053 0.0000 0.0000 62.6952 31.7784 176.2100 46 L 4.0500 8.1404 119.6256 55.5404 42.1452 175.9122 47 G 3.9584 8.4076 106.3946 44.3426 0.0000 173.3812 48 K 4.4912 8.2363 118.3380 54.9410 33.6399 176.8390 49 S 4.3671 8.1315 116.0136 57.7169 65.0610 174.9204 50 G 3.9979 9.4914 118.5552 45.3195 0.0000 171.6927 51 F 4.9720 8.1855 112.8404 55.5648 40.7896 173.3940 52 K 4.3846 8.4644 120.2086 54.5898 34.6842 176.2108 53 R 4.6258 8.0826 120.9790 53.8434 31.7413 174.7847 54 P 4.3097 0.0000 0.0000 63.1557 31.7855 176.9725 55 Q 3.9067 9.0562 121.4031 59.2263 28.7278 178.7707 56 K 4.4487 7.9757 113.3728 56.9531 32.5572 177.1349 57 V 4.3133 7.8923 117.5779 62.8085 32.8718 175.4989 58 Q 4.3755 7.6885 118.5244 55.7207 29.5433 174.8466 59 E 4.5343 8.5514 120.9003 54.4055 31.9271 174.8418 60 E 4.4837 8.4426 123.9857 54.3483 31.5006 174.4444 61 A 4.0821 8.3276 128.8846 51.0859 20.1892 176.2415 62 A 4.5146 9.0980 124.3624 50.9468 20.1635 176.3930 63 T 5.4261 8.2543 112.0624 60.0575 71.7107 173.8296 64 I 4.5365 7.8430 121.6689 60.1402 41.7823 173.4046 65 D 5.1699 8.6862 128.5112 53.4522 42.2895 177.7691 66 V 3.6474 8.4113 116.5453 64.7555 31.5390 178.7470 67 R 3.9099 7.8103 118.0823 59.6538 29.5092 178.0507 68 E 3.8834 7.9616 117.6535 59.5236 30.0344 178.3044 69 I 3.7396 7.7777 119.2221 64.6890 36.9871 177.4129 70 D 4.3318 8.4071 118.3959 57.8233 41.1356 178.3802 71 E 4.1932 8.2484 117.3022 58.0959 29.6645 177.3715 72 N 4.9387 7.8929 115.4730 52.8585 39.5025 176.6286 73 V 3.3265 7.8157 114.3958 64.6703 31.7502 177.9121 74 T 3.8677 7.6036 108.3197 64.6277 68.7972 175.7719 75 L 4.0111 7.7632 120.7257 56.8438 42.4900 177.6540 76 L 4.3504 7.6382 120.8996 53.8293 40.6623 178.0550 77 A 4.0139 7.6931 121.8829 55.0602 19.0366 178.9917 78 A 4.2054 8.0061 116.3115 53.6544 18.5776 176.4801 79 D 5.1495 7.4473 114.9460 51.7539 44.2723 176.0722 80 D 4.4824 8.7105 119.8619 55.4383 41.8669 175.7774 81 V 4.7099 8.4662 121.9074 61.4593 33.7826 174.9338 82 A 4.4507 7.8611 128.8190 51.0477 21.0920 175.2232 83 E 3.7594 8.8895 111.6097 59.4004 29.7210 177.4237 *89 F 4.5283 7.8204 117.2512 57.1994 40.8577 173.7284 90 R 5.2399 8.5887 122.7098 54.5635 32.0090 175.4820 91 V 4.4889 8.8663 125.4945 60.1446 35.3288 174.0261 92 D 4.7972 8.7904 124.3148 52.9826 41.2665 176.3852 93 V 3.5473 8.5582 127.9048 66.3223 31.7365 178.3638 94 R 4.0647 8.1230 117.2925 59.3669 29.8868 177.6538 95 D 4.5968 8.2182 115.9974 55.1617 41.1475 177.9382 96 V 4.0041 7.8735 119.0788 63.7225 32.3749 175.9782 97 V 3.5815 7.2245 117.1819 62.9772 31.6437 175.7419 98 E 4.1725 8.6279 126.2722 56.7897 30.2011 176.5453 99 E 4.0994 8.7379 116.2979 57.4340 26.9440 175.9119 100 A 4.1761 7.4371 122.7439 54.4963 18.9084 179.9982 101 D 4.4481 8.1567 115.6136 57.6393 41.0141 177.1590 102 D 4.6717 8.0370 115.1098 53.2011 39.5005 175.4639 103 A 4.7017 7.4704 121.4473 50.7061 21.2439 177.2151 104 D 4.5938 8.6316 120.6347 56.8709 41.9333 175.5560 105 Y 4.6436 7.0214 114.6147 56.6787 40.9481 172.5264 106 V 4.7285 8.6352 120.4983 61.2247 33.5790 174.1511 107 K 4.9337 9.7053 130.6340 54.5904 35.2610 174.5776 108 V 4.7189 8.1816 126.6935 61.2652 33.7019 174.4841 109 L 4.9290 9.2527 127.5591 52.3209 44.8365 176.7579 110 G 4.2004 8.2316 108.8208 45.5314 0.0000 173.5737 111 A 4.7378 8.0112 122.3160 51.5239 21.8761 177.7479 112 G 4.0017 8.8665 108.2450 44.2833 0.0000 171.9760 113 Q 4.6034 8.2210 116.9885 53.9960 31.8021 175.4649 114 V 4.3823 7.9762 117.3921 61.8100 32.5038 174.3250 115 R 4.5914 8.6963 126.8158 55.9775 30.2448 176.4275 116 H 4.9470 7.7620 113.2885 54.1377 32.6830 173.7951 117 E 4.5469 8.6814 120.4783 55.6184 29.0367 175.2018 118 L 5.0231 8.3635 126.3734 53.7911 44.8294 175.7139 119 T 4.6042 9.0490 119.8109 62.0568 70.8764 172.5808 120 L 5.2422 8.6314 127.0341 53.0080 44.5816 175.8376 121 I 5.6199 8.8272 123.4791 58.9203 39.9429 174.6207 122 A 4.7836 8.6452 127.0972 50.6727 22.3570 176.3497 123 D 4.4318 8.6958 118.5556 57.0456 42.1357 176.1235 124 D 4.8473 7.9953 116.4666 52.9448 45.1798 174.4644 125 F 5.1578 8.4996 120.4005 55.0593 43.3498 175.1678 126 S 4.6580 8.5011 118.8256 57.3802 65.6576 175.0164 127 E 4.0519 8.8225 123.2666 59.7490 29.2830 179.4940 128 G 3.6367 8.1180 104.8902 47.4574 0.0000 175.5281 129 A 4.0839 7.9225 122.6778 55.3144 18.3579 179.5526 130 R 3.7186 8.1719 116.5963 59.2888 30.1538 178.6505 131 E 3.8947 8.2456 117.7786 60.0291 29.4423 179.8249 132 K 3.9302 7.8798 117.1404 59.7156 32.5809 179.3381 133 V 3.7591 7.7983 118.2044 66.1124 31.4151 178.0467 134 E 4.4348 7.9711 120.1041 58.6445 29.1183 179.0153 135 G 3.8317 8.5782 103.7514 45.9735 0.0000 173.6538 136 A 4.5973 7.6049 123.5714 51.4249 19.9667 176.3277 137 G 3.7552 8.3714 104.5514 48.2428 0.0000 173.0011 138 G 4.4552 7.5297 104.7441 44.1700 0.0000 171.9368 139 S 4.7920 8.7233 113.2729 56.2303 66.6798 173.4591 140 V 4.0716 8.2035 121.2270 61.3008 33.2162 174.4536 141 E 4.5562 9.1204 129.3337 54.5499 31.2033 175.2407 142 L 4.8614 8.4843 127.6598 54.7818 43.2079 176.6814 143 T 4.2027 8.5012 122.4892 63.3609 69.7303 175.3406 144 D 4.4871 8.7684 122.1545 57.4432 41.1487 179.1082 145 L 3.9843 7.9906 120.2523 57.8556 42.5648 177.9310 146 G 3.7532 7.9647 106.3359 46.6485 0.0000 174.1704 147 E 4.3467 7.7429 118.2393 56.9783 28.9068 177.3687 148 E 4.3076 7.7566 117.6405 57.1907 30.1556 178.2555 149 R 4.2612 7.6440 119.0934 53.8483 27.9236 176.2557 150 Q 4.2715 7.6617 121.7024 56.8034 29.1700 173.1734 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 T 8.16 4.26 4.23 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 1.20 0.00 0.00 2 S 8.27 4.44 0.00 4.04 3.87 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 3 K 9.38 4.03 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.09 3.87 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.66 4.08 0.00 1.72 1.99 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.49 4.43 0.00 1.81 1.92 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 7 Q 7.93 4.09 0.00 1.86 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 8 R 7.52 4.00 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.09 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 0.00 0.00 0.00 10 S 8.06 4.15 0.00 3.96 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 11 R 8.02 4.22 0.00 1.99 2.13 0.00 3.21 0.00 0.00 3.27 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 12 T 7.63 4.29 4.33 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 1.31 0.00 0.00 13 H 8.41 4.45 0.00 3.23 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.60 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 0.00 0.00 0.00 15 G 8.26 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 16 G 7.85 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 0.00 0.00 0.00 17 S 8.71 4.11 0.00 3.86 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 18 H 8.88 4.37 0.00 3.31 3.40 0.00 5.57 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 19 K 7.54 4.06 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.29 7.81 20 N 7.85 4.33 0.00 2.77 2.60 0.00 0.00 6.96 7.33 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 21 R 7.48 4.47 0.00 1.80 1.92 0.00 3.20 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 22 R 7.72 4.48 0.00 1.76 1.07 0.00 3.20 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 23 G 8.65 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 0.00 0.00 0.00 0.00 24 A 8.65 4.25 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 25 G 8.05 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.09 4.47 0.00 3.10 3.47 0.00 5.92 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.76 4.52 0.00 2.04 1.91 0.00 3.32 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00 28 G 7.74 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 29 G 7.75 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 0.00 0.00 0.00 30 R 8.67 4.12 0.00 1.91 1.82 0.00 3.36 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.26 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 0.00 0.00 0.00 32 D 8.75 4.72 0.00 2.81 2.67 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 33 A 7.42 4.11 1.31 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 0.00 0.00 34 G 8.93 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 35 R 7.56 3.88 0.00 1.69 2.05 0.00 2.74 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 36 D 7.85 4.93 0.00 2.58 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 37 K 8.55 4.37 0.00 1.82 1.67 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.52 7.81 38 H 9.51 4.69 0.00 3.33 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.72 4.77 0.00 2.08 1.94 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 2.27 2.13 0.00 40 F 8.40 4.66 0.00 3.22 3.25 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 41 H 6.10 3.68 0.00 2.94 3.03 0.00 5.81 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 42 N 8.76 4.24 0.00 2.76 2.83 0.00 0.00 6.80 8.16 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 43 H 7.56 4.95 0.00 3.50 3.19 0.00 5.85 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.68 4.22 0.00 1.98 1.90 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.19 2.09 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 46 L 8.14 4.05 0.00 1.66 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.41 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 48 K 8.24 4.49 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 S 8.13 4.37 0.00 3.77 3.70 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 0.00 0.00 0.00 0.00 50 G 9.49 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 0.00 0.00 0.00 51 F 8.19 4.97 0.00 3.13 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 52 K 8.46 4.38 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.36 7.81 53 R 8.08 4.63 0.00 1.79 1.90 0.00 3.32 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 54 P 0.00 4.31 0.00 2.23 2.22 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 55 Q 9.06 3.91 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 56 K 7.98 4.45 0.00 1.86 1.90 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 57 V 7.89 4.31 2.22 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 0.85 0.00 0.00 0.95 0.00 0.00 58 Q 7.69 4.38 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 59 E 8.55 4.53 0.00 1.91 1.77 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 2.39 2.27 0.00 60 E 8.44 4.48 0.00 1.95 1.71 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 2.17 2.19 0.00 61 A 8.33 4.08 0.89 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 62 A 9.10 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 63 T 8.25 5.43 4.23 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 1.20 0.00 0.00 64 I 7.84 4.54 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 1.33 1.29 0.93 0.00 0.00 65 D 8.69 5.17 0.00 2.75 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 66 V 8.41 3.65 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 0.86 0.00 0.00 1.00 0.00 0.00 67 R 7.81 3.91 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 68 E 7.96 3.88 0.00 2.01 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 2.31 2.34 0.00 69 I 7.78 3.74 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.91 0.00 0.00 70 D 8.41 4.33 0.00 2.69 2.74 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 71 E 8.25 4.19 0.00 2.14 1.98 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 2.34 2.56 0.00 72 N 7.89 4.94 0.00 2.66 2.70 0.00 0.00 6.82 7.30 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 73 V 7.82 3.33 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 0.00 0.00 0.51 0.00 0.00 0.33 0.00 0.00 74 T 7.60 3.87 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 1.14 0.00 0.00 75 L 7.76 4.01 0.00 1.71 1.75 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.64 4.35 0.00 1.79 1.59 0.87 0.68 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 77 A 7.69 4.01 1.29 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 78 A 8.01 4.21 1.29 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 79 D 7.45 5.15 0.00 2.71 2.60 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 0.00 0.00 0.00 0.00 80 D 8.71 4.48 0.00 2.90 2.65 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 81 V 8.47 4.71 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 0.65 0.00 0.00 1.06 0.00 0.00 82 A 7.86 4.45 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 83 E 8.89 3.76 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 2.25 2.33 0.00 *89 F 7.82 4.53 0.00 3.08 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 90 R 8.59 5.24 0.00 1.86 1.83 0.00 3.23 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 91 V 8.87 4.49 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 0.70 0.00 0.00 0.99 0.00 0.00 92 D 8.79 4.80 0.00 2.86 2.83 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 93 V 8.56 3.55 2.03 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 0.66 0.00 0.00 0.96 0.00 0.00 94 R 8.12 4.06 0.00 1.82 2.01 0.00 3.27 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 95 D 8.22 4.60 0.00 2.74 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 96 V 7.87 4.00 2.17 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 0.80 0.00 0.00 0.93 0.00 0.00 97 V 7.22 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.63 4.17 0.00 2.06 1.84 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 2.38 2.31 0.00 99 E 8.74 4.10 0.00 2.09 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 2.19 2.27 0.00 100 A 7.44 4.18 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 0.00 101 D 8.16 4.45 0.00 2.67 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 0.00 102 D 8.04 4.67 0.00 2.76 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 0.00 103 A 7.47 4.70 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 0.00 104 D 8.63 4.59 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.02 4.64 0.00 2.97 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 0.00 106 V 8.64 4.73 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 0.88 0.00 0.00 0.94 0.00 0.00 107 K 9.71 4.93 0.00 2.04 1.70 0.00 1.95 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.32 7.81 108 V 8.18 4.72 1.62 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 1.03 0.00 0.00 0.60 0.00 0.00 109 L 9.25 4.93 0.00 1.74 1.54 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.23 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 0.00 0.00 0.00 0.00 111 A 8.01 4.74 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 0.00 112 G 8.87 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 0.00 0.00 0.00 113 Q 8.22 4.60 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 114 V 7.98 4.38 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 1.02 0.00 0.00 0.96 0.00 0.00 115 R 8.70 4.59 0.00 1.70 1.84 0.00 3.20 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 116 H 7.76 4.95 0.00 3.19 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.68 4.55 0.00 2.08 2.03 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 2.30 2.17 0.00 118 L 8.36 5.02 0.00 1.68 1.68 1.02 0.82 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 0.00 119 T 9.05 4.60 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 1.23 0.00 0.00 120 L 8.63 5.24 0.00 1.91 1.83 1.15 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.83 5.62 2.12 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 1.17 0.89 1.04 0.00 0.00 122 A 8.65 4.78 0.61 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 0.00 123 D 8.70 4.43 0.00 2.74 2.63 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 0.00 0.00 0.00 0.00 124 D 8.00 4.85 0.00 2.33 2.30 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 0.00 125 F 8.50 5.16 0.00 2.98 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 0.00 126 S 8.50 4.66 0.00 4.12 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 0.00 127 E 8.82 4.05 0.00 2.07 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 2.55 2.40 0.00 128 G 8.12 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 0.00 129 A 7.92 4.08 1.59 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 0.00 130 R 8.17 3.72 0.00 2.04 1.90 0.00 3.14 0.00 0.00 3.09 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 131 E 8.25 3.89 0.00 2.03 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 2.34 2.59 0.00 132 K 7.88 3.93 0.00 1.87 1.91 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.57 7.81 133 V 7.80 3.76 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 1.03 0.00 0.00 1.08 0.00 0.00 134 E 7.97 4.43 0.00 2.14 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 0.00 2.41 2.12 0.00 135 G 8.58 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 0.00 136 A 7.60 4.60 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 0.00 137 G 8.37 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 0.00 0.00 0.00 138 G 7.53 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 8.72 4.79 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 0.00 140 V 8.20 4.07 1.66 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 -0.50 0.00 0.00 0.18 0.00 0.00 141 E 9.12 4.56 0.00 1.94 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 2.23 2.21 0.00 142 L 8.48 4.86 0.00 1.67 1.60 1.23 1.10 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 0.00 143 T 8.50 4.20 4.35 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 1.23 0.00 0.00 144 D 8.77 4.49 0.00 2.71 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 0.00 145 L 7.99 3.98 0.00 1.62 1.85 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.96 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 0.00 147 E 7.74 4.35 0.00 2.13 1.97 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 2.34 2.54 0.00 148 E 7.76 4.31 0.00 1.93 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 0.00 2.30 2.51 0.00 149 R 7.64 4.26 0.00 1.79 1.89 0.00 3.27 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 150 Q 7.66 4.27 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.