NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4212 8.3044 120.3242 54.8089 33.6263 174.9054 2 R 3.8921 8.1957 123.0933 55.8889 31.6246 171.5312 3 E 5.0752 8.8393 124.6330 55.0117 33.4125 173.1621 4 Y 4.9739 9.4358 124.3060 56.1452 41.6279 174.7081 5 K 4.9693 9.0432 123.0192 54.8839 34.5742 175.2227 6 V 4.5901 8.7742 126.2524 60.9260 34.0985 174.2859 7 V 4.5899 8.1350 127.9490 61.1692 34.0201 174.3570 8 V 4.5359 8.8296 128.8360 61.8293 32.7155 174.4543 9 L 4.9993 9.7087 128.6549 52.2882 44.5774 176.5766 10 G 4.3627 7.9987 107.8788 46.4932 0.0000 171.7389 11 S 4.5833 8.3955 116.6688 57.0128 63.9707 174.6377 12 G 3.7716 8.4419 110.4923 47.3135 0.0000 174.9908 13 G 3.6820 8.9706 110.6253 45.5194 0.0000 175.8432 14 V 3.5035 7.1235 112.5105 63.1651 31.7718 177.1064 15 G 4.2305 8.0904 108.6501 45.4441 0.0000 175.6264 16 K 3.8775 8.4933 120.9756 59.6996 31.9861 179.2712 17 S 4.3824 8.3237 115.5301 60.4529 62.8744 176.4615 18 A 3.9606 7.9226 123.4270 54.7908 18.2812 179.3926 19 L 3.9407 8.1704 117.7056 58.2917 41.7067 179.7972 20 T 3.7356 7.8457 115.3999 66.8277 68.4457 176.9967 21 V 3.3307 7.9580 120.2352 65.6448 31.3550 177.9096 22 Q 4.1631 8.1510 121.0162 58.3933 28.7084 177.6536 23 F 4.2751 7.8999 120.5485 61.6087 39.5284 177.0366 24 V 3.5131 7.8405 116.6825 65.1512 31.4435 177.0295 25 T 4.5176 7.7455 106.3914 60.2991 70.0701 175.0886 26 G 3.9199 8.2222 109.6047 45.8886 0.0000 173.1588 27 T 4.5966 7.4420 108.6469 59.2882 71.1273 172.9577 28 F 4.5644 8.5999 125.7727 56.7034 39.8809 175.0392 29 I 3.7446 7.6612 129.1489 60.4358 38.0029 174.9307 30 E 4.0431 8.3829 127.6378 57.8058 30.1741 176.7634 31 K 4.1604 7.7242 118.4160 55.0212 32.2021 175.5864 32 Y 4.1796 8.7321 125.8917 58.1991 38.4482 174.8974 33 D 4.5623 8.3618 127.9523 51.2696 42.2770 174.0645 34 P 4.1802 0.0000 0.0000 62.7935 32.0671 175.7075 35 T 4.5302 8.1613 116.8302 62.0746 70.5629 173.9200 36 I 3.4762 7.6969 126.4637 61.8740 38.0721 175.1764 37 E 4.6943 7.2728 118.6994 55.4755 32.6333 173.7437 38 D 4.7142 8.3626 124.9749 52.8805 45.8605 174.1297 39 F 5.6922 8.4953 120.1728 55.1177 42.0112 174.2815 40 Y 4.9206 8.6610 118.6958 56.3426 42.3444 174.4122 41 R 5.3023 8.6821 120.0183 54.5229 34.0506 174.8485 42 K 4.5449 9.0441 124.0020 54.8176 36.0825 174.5384 43 E 4.5747 8.9285 129.1304 56.2469 30.3790 175.4079 44 I 4.6026 8.7192 126.9422 59.2916 41.5226 174.1414 45 E 5.1244 8.9072 127.6629 54.8732 30.6769 174.9735 46 V 4.2549 8.3815 124.5799 62.0836 33.4133 175.5503 47 D 4.4580 9.4533 124.7065 55.3209 38.3094 174.1691 48 S 3.6986 8.3093 110.6141 59.3293 60.9257 171.9425 49 S 4.6330 8.2665 118.8569 56.9396 63.5554 171.8276 50 P 4.9891 0.0000 0.0000 63.0192 32.0228 175.7678 51 S 4.9658 9.1824 119.7178 57.0614 68.4001 172.4792 52 V 4.8981 8.7300 119.6808 61.4353 34.2944 174.2261 53 L 5.1843 9.0586 127.7326 53.4505 43.7352 174.8586 54 E 5.1356 9.4386 125.3990 54.5903 32.0993 174.3692 55 I 4.8701 9.1129 127.9468 59.4426 40.5555 174.2270 56 L 4.0187 8.9673 129.9847 53.4365 43.0076 174.9714 57 D 4.9855 8.6910 128.9824 53.2704 41.9091 176.1528 58 T 4.1223 7.7924 116.3844 60.7415 70.7815 173.6049 59 A 4.5783 8.3933 123.2770 50.9061 19.7219 177.9239 60 G 3.8027 8.9282 109.8716 46.0637 0.0000 173.8475 61 T 4.0132 8.3441 117.8050 64.8600 68.5314 175.7158 62 E 3.8260 8.5222 127.6077 58.8813 30.1130 179.8560 63 Q 3.7778 8.1119 117.5391 59.2843 28.6338 177.9981 64 F 4.5424 7.9240 117.4732 57.9992 38.9964 176.9829 65 A 4.1482 7.7268 121.7959 54.7424 17.8352 179.6042 66 S 4.0660 7.5294 112.2347 62.0411 63.1176 176.3126 67 M 3.9801 8.1391 121.0527 56.8578 31.6361 178.4557 68 R 3.7720 7.6448 119.6534 59.4232 30.2086 178.0844 69 D 4.3302 7.9535 118.2109 57.2231 40.7169 178.6660 70 L 4.0214 7.8117 119.5675 57.9945 41.4266 178.9974 71 Y 4.4941 7.6483 114.9875 61.4283 37.9353 178.4492 72 I 4.2119 8.0833 119.8933 64.1762 37.5910 178.2197 73 K 4.2652 8.2381 120.5276 59.6264 31.8752 178.3167 74 N 4.9546 8.3547 113.1292 52.7374 38.5732 174.9370 75 G 4.2617 7.6471 108.0653 44.1341 0.0000 172.5647 76 Q 4.4994 8.9025 119.8598 56.4046 30.8204 176.4829 77 G 4.1815 7.5709 104.6643 44.1640 0.0000 171.9772 78 F 5.3163 9.1183 120.8174 55.4679 42.9548 173.9297 79 I 4.6089 8.5965 124.8554 59.9357 38.9902 174.6900 80 L 5.0059 8.9126 128.5205 53.2467 43.3224 175.6462 81 V 4.8526 8.5423 125.1400 61.2742 33.1416 174.5388 82 Y 5.0414 8.7984 125.4665 55.1566 41.8055 174.1791 83 S 5.0641 9.0504 116.3914 57.1769 63.2787 175.0863 84 L 4.3992 8.7513 127.7746 57.9957 40.5468 177.5841 85 V 4.2607 7.5756 112.3046 60.9911 31.4965 176.0334 86 N 4.5907 7.8668 119.3277 51.9580 40.1155 174.7439 87 Q 4.2525 8.5142 125.3666 58.3551 28.8414 177.7814 88 Q 4.0172 8.2075 122.2870 59.1949 28.9660 177.9017 89 S 4.1815 8.2675 114.5726 61.3212 62.8048 175.9597 90 F 4.1765 7.9566 123.2254 61.1830 39.1771 177.1373 91 Q 3.8518 7.9835 117.4127 58.6744 28.3393 178.0551 92 D 4.4614 8.2586 119.2599 56.6232 40.9588 177.8970 93 I 3.9540 7.3187 118.4718 62.9238 37.6910 177.8981 94 K 3.8185 7.3289 119.0303 58.8603 31.8367 177.4490 95 P 4.3621 0.0000 0.0000 66.0880 31.0153 178.2681 96 M 3.9840 7.7852 118.7621 57.9661 31.7608 178.6116 97 R 3.7712 7.4335 119.3546 59.6002 30.3127 178.4206 98 D 4.3171 7.9397 118.1446 57.0860 40.6780 178.3238 99 Q 3.9016 8.3006 120.6187 59.0199 29.0348 178.2155 100 I 3.4867 7.6382 120.9001 64.6132 37.1380 178.5791 101 I 3.7000 7.7802 120.4746 63.9659 36.5941 178.7019 102 R 3.9084 7.7258 116.6636 58.9749 29.2736 178.7335 103 V 3.8173 7.1438 116.7045 65.4725 31.9078 177.8835 104 K 4.1843 8.2075 117.6513 57.0174 31.7772 178.9071 105 R 4.0653 8.1530 115.7738 56.4792 28.7440 175.1608 106 Y 5.0105 7.4270 115.0610 54.8697 41.1113 175.7373 107 E 4.0455 8.9379 120.2513 59.4621 30.1169 178.6078 108 K 4.2810 7.7444 118.7101 55.1072 30.6264 175.9614 109 V 3.7588 7.0927 119.7742 60.9825 32.9991 173.7146 110 P 4.4802 0.0000 0.0000 63.1655 31.7194 175.5250 111 V 5.7078 8.2565 117.0397 58.5001 35.4996 175.4036 112 I 4.6207 8.1529 122.5800 59.4659 40.8602 174.0474 113 L 4.8669 8.6426 128.7811 54.1291 43.3905 175.6015 114 V 4.1980 9.1417 126.4100 61.0051 34.4120 174.4762 115 G 3.1023 8.3860 115.7239 44.6702 0.0000 172.6210 116 N 4.6331 8.7829 126.6681 52.2828 41.5753 174.3395 117 K 4.3234 8.7224 116.6985 58.1211 28.5698 179.1283 118 V 3.7459 7.8132 119.4392 64.0372 32.0566 176.9162 119 D 4.3770 8.0600 120.0330 55.3508 39.8781 176.5076 120 L 4.6102 7.5189 122.6261 53.7575 41.0672 177.6223 121 E 3.9801 7.9576 120.2316 59.0329 30.3251 177.7070 122 S 4.0982 7.5863 110.9576 61.0179 63.2120 174.2471 *222 E 4.4281 7.9447 123.0109 56.3757 29.6087 175.3875 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 8.30 4.42 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 2 R 8.20 3.89 0.00 1.91 1.66 0.00 2.46 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 3 E 8.84 5.08 0.00 1.91 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 0.00 2.20 2.36 0.00 4 Y 9.44 4.97 0.00 2.86 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 5 K 9.04 4.97 0.00 1.73 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.38 7.81 6 V 8.77 4.59 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 0.78 0.00 0.00 0.86 0.00 0.00 7 V 8.13 4.59 2.34 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 0.94 0.00 0.00 0.99 0.00 0.00 8 V 8.83 4.54 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 0.88 0.00 0.00 0.88 0.00 0.00 9 L 9.71 5.00 0.00 1.67 1.58 0.98 0.77 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 10 G 8.00 4.36 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 0.00 11 S 8.40 4.58 0.00 3.93 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 12 G 8.44 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 13 G 8.97 3.68 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 0.00 0.00 0.00 14 V 7.12 3.50 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 0.80 0.00 0.00 1.01 0.00 0.00 15 G 8.09 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 0.00 0.00 0.00 0.00 16 K 8.49 3.88 0.00 1.84 1.99 0.00 1.86 0.00 0.00 1.97 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.57 7.81 17 S 8.32 4.38 0.00 3.89 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 18 A 7.92 3.96 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 19 L 8.17 3.94 0.00 1.83 1.70 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.85 3.74 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 0.71 0.00 0.00 21 V 7.96 3.33 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 0.95 0.00 0.00 0.82 0.00 0.00 22 Q 8.15 4.16 0.00 2.45 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 23 F 7.90 4.28 0.00 2.88 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 24 V 7.84 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 25 T 7.75 4.52 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 1.22 0.00 0.00 26 G 8.22 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 27 T 7.44 4.60 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 1.22 0.00 0.00 28 F 8.60 4.56 0.00 2.96 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 29 I 7.66 3.74 1.72 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 1.33 0.76 0.71 0.00 0.00 30 E 8.38 4.04 0.00 1.98 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 2.49 2.56 0.00 31 K 7.72 4.16 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.42 7.81 32 Y 8.73 4.18 0.00 2.80 2.93 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 33 D 8.36 4.56 0.00 2.58 2.47 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 34 P 0.00 4.18 0.00 2.10 1.60 0.00 3.45 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 35 T 8.16 4.53 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 1.27 0.00 0.00 36 I 7.70 3.48 1.66 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 1.20 0.17 0.29 0.00 0.00 37 E 7.27 4.69 0.00 1.78 1.68 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 1.85 2.01 0.00 38 D 8.36 4.71 0.00 2.51 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 0.00 0.00 0.00 39 F 8.50 5.69 0.00 2.72 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 40 Y 8.66 4.92 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 5.30 0.00 1.69 1.84 0.00 3.20 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 42 K 9.04 4.54 0.00 1.79 1.54 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.56 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.18 1.18 7.81 43 E 8.93 4.57 0.00 2.03 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 2.31 2.43 0.00 44 I 8.72 4.60 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.53 0.98 0.00 0.00 45 E 8.91 5.12 0.00 1.88 1.91 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 2.23 2.29 0.00 46 V 8.38 4.25 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 0.96 0.00 0.00 0.89 0.00 0.00 47 D 9.45 4.46 0.00 2.86 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 48 S 8.31 3.70 0.00 4.03 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 49 S 8.27 4.63 0.00 3.88 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 50 P 0.00 4.99 0.00 2.10 2.10 0.00 3.74 0.00 0.00 3.82 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 51 S 9.18 4.97 0.00 4.00 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 0.00 52 V 8.73 4.90 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 1.01 0.00 0.00 1.01 0.00 0.00 53 L 9.06 5.18 0.00 1.83 1.70 0.92 0.68 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 54 E 9.44 5.14 0.00 2.07 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 2.43 2.36 0.00 55 I 9.11 4.87 2.04 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.15 0.91 0.00 0.00 56 L 8.97 4.02 0.00 1.57 1.27 0.27 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.69 4.99 0.00 2.94 2.69 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 0.00 0.00 0.00 0.00 58 T 7.79 4.12 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 0.81 0.00 0.00 59 A 8.39 4.58 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.93 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 61 T 8.34 4.01 4.59 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 1.29 0.00 0.00 62 E 8.52 3.83 0.00 2.03 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 2.41 2.39 0.00 63 Q 8.11 3.78 0.00 1.85 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.07 1.26 0.00 64 F 7.92 4.54 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.73 4.15 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 66 S 7.53 4.07 0.00 4.00 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 67 M 8.14 3.98 0.00 1.32 2.04 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 2.75 2.73 0.00 68 R 7.64 3.77 0.00 1.98 1.90 0.00 3.29 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 69 D 7.95 4.33 0.00 2.68 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 70 L 7.81 4.02 0.00 1.81 1.76 0.88 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 71 Y 7.65 4.49 0.00 3.18 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 4.21 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.71 0.73 0.00 0.00 73 K 8.24 4.27 0.00 2.12 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.55 7.81 74 N 8.35 4.95 0.00 2.90 2.95 0.00 0.00 6.81 8.13 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 75 G 7.65 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 0.00 0.00 0.00 0.00 76 Q 8.90 4.50 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 77 G 7.57 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.12 5.32 0.00 2.92 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 79 I 8.60 4.61 1.85 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 1.17 0.73 0.88 0.00 0.00 80 L 8.91 5.01 0.00 1.64 1.65 0.93 0.88 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 81 V 8.54 4.85 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 0.74 0.00 0.00 0.92 0.00 0.00 82 Y 8.80 5.04 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.05 5.06 0.00 3.94 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 84 L 8.75 4.40 0.00 1.85 1.92 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.58 4.26 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 0.73 0.00 0.00 0.93 0.00 0.00 86 N 7.87 4.59 0.00 2.67 2.72 0.00 0.00 7.01 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 87 Q 8.51 4.25 0.00 2.42 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 88 Q 8.21 4.02 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 89 S 8.27 4.18 0.00 4.19 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 90 F 7.96 4.18 0.00 2.81 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 0.00 91 Q 7.98 3.85 0.00 2.29 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 92 D 8.26 4.46 0.00 2.78 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 93 I 7.32 3.95 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.26 0.77 0.00 0.00 94 K 7.33 3.82 0.00 1.78 1.69 0.00 1.50 0.00 0.00 1.51 0.00 0.00 2.53 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.06 1.10 7.81 95 P 0.00 4.36 0.00 2.21 2.26 0.00 3.71 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 2.16 2.01 0.00 96 M 7.79 3.98 0.00 1.99 2.29 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 2.59 2.52 0.00 97 R 7.43 3.77 0.00 1.88 1.86 0.00 3.21 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 98 D 7.94 4.32 0.00 2.79 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 99 Q 8.30 3.90 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 100 I 7.64 3.49 1.83 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.62 0.42 0.00 0.00 101 I 7.78 3.70 1.79 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 1.42 0.63 0.90 0.00 0.00 102 R 7.73 3.91 0.00 1.97 2.03 0.00 3.02 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 103 V 7.14 3.82 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 0.93 0.00 0.00 0.99 0.00 0.00 104 K 8.21 4.18 0.00 1.69 1.80 0.00 2.00 0.00 0.00 1.88 0.00 0.00 3.41 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.57 1.63 7.81 105 R 8.15 4.07 0.00 2.08 2.13 0.00 3.15 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 106 Y 7.43 5.01 0.00 2.97 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 4.05 0.00 2.00 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 2.33 2.40 0.00 108 K 7.74 4.28 0.00 1.91 1.89 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.48 7.81 109 V 7.09 3.76 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 1.02 0.00 0.00 0.55 0.00 0.00 110 P 0.00 4.48 0.00 2.15 2.04 0.00 3.90 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 111 V 8.26 5.71 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 0.97 0.00 0.00 0.95 0.00 0.00 112 I 8.15 4.62 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.90 0.00 0.00 113 L 8.64 4.87 0.00 1.72 1.67 1.21 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.14 4.20 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 0.77 0.00 0.00 0.89 0.00 0.00 115 G 8.39 3.10 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 0.00 0.00 0.00 116 N 8.78 4.63 0.00 2.70 2.81 0.00 0.00 7.04 6.57 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 0.00 117 K 8.72 4.32 0.00 2.02 1.94 0.00 1.99 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 118 V 7.81 3.75 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 0.69 0.00 0.00 0.89 0.00 0.00 119 D 8.06 4.38 0.00 2.77 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 0.00 120 L 7.52 4.61 0.00 1.86 1.65 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.96 3.98 0.00 2.01 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 2.27 2.35 0.00 122 S 7.59 4.10 0.00 4.10 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 *222 E 7.94 4.43 0.00 2.00 1.95 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 2.21 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.