NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3303 8.2649 123.5853 52.5224 19.7062 177.1451 3 R 4.3388 8.2471 109.5014 54.5232 29.6436 177.3928 4 I 4.1858 7.7892 129.1549 59.4859 38.0539 178.2157 5 A 3.9096 9.1728 132.4170 54.9499 19.8197 178.8330 6 G 4.0107 9.5034 111.0494 46.5626 0.0000 174.3993 7 V 4.4456 8.7175 116.6300 62.2921 32.5016 174.0775 8 E 4.4989 8.6819 119.7390 54.6558 30.3684 176.2933 9 I 4.5455 8.3419 125.6043 59.2257 38.6300 173.5204 10 P 4.9677 0.0000 0.0000 64.1396 32.2559 175.4729 11 R 3.7273 7.6413 117.3253 56.0955 31.6207 175.7471 12 N 4.2713 8.8692 115.2500 53.9486 35.4911 174.1978 13 K 4.6266 7.5464 115.9588 53.9481 35.5573 176.2493 14 R 4.1965 8.6263 119.6653 56.5083 29.8187 177.5486 15 V 3.5623 8.7696 114.6218 64.8991 31.5708 177.8913 16 D 4.5307 8.0536 115.6047 54.6971 39.2607 176.2794 17 V 4.0539 7.4923 117.8695 63.5694 33.1585 176.5907 18 A 3.6486 8.6901 121.4025 55.3676 18.2736 179.2344 19 L 3.9672 7.6032 116.1725 57.1214 41.3207 179.5074 20 T 4.3582 8.5241 118.8181 66.2629 68.1722 175.8260 21 Y 4.6641 6.8100 116.4775 59.8947 38.2648 176.6626 22 I 4.0384 7.5225 121.8395 61.0896 37.9101 175.0099 23 Y 4.7111 8.5810 125.3923 61.5264 37.6928 175.5459 24 G 3.7859 9.4890 115.8532 45.0730 0.0000 171.9785 25 I 4.3997 8.0973 120.8432 59.4605 40.7930 174.7653 26 G 4.5651 8.2723 113.3944 42.5347 0.0000 172.7609 27 K 3.8008 8.7252 118.3681 60.3501 31.5424 177.2349 28 A 4.1677 8.0358 121.0354 54.5497 18.3656 178.6978 29 R 4.2311 7.7086 112.4147 57.6307 30.0835 178.4519 30 A 4.2726 7.7540 121.3115 54.1983 19.2057 179.3137 31 K 3.9694 8.4700 115.6223 60.7260 32.3421 178.6725 32 E 3.6535 8.6283 116.4953 59.8334 29.2049 178.4642 33 A 4.3769 8.6943 120.1008 55.5920 18.4134 178.9859 34 L 4.6402 8.0737 115.0465 55.1219 41.5633 178.0630 35 E 4.3602 8.3375 119.5420 57.5855 31.1977 177.2889 36 K 4.4878 6.9690 117.3186 55.8906 32.1775 177.5343 37 T 4.1748 7.9199 106.1120 61.5930 73.8467 173.6714 38 G 3.8743 7.5768 108.7910 46.7597 0.0000 172.3594 39 I 4.3797 7.2897 118.5375 59.1784 40.2358 175.5150 40 N 4.0484 8.9484 122.9548 53.6958 39.0976 172.4443 41 P 4.2734 0.0000 0.0000 65.7141 31.6766 177.8809 42 A 4.4410 7.6825 123.6912 51.5472 17.2845 177.3960 43 T 4.2467 7.5361 118.5645 60.9356 71.6698 174.4979 44 R 4.6424 8.1161 119.0433 54.7602 34.1457 175.0702 45 V 3.7143 7.6996 117.3344 65.5901 31.1524 177.0797 46 K 3.8360 7.4434 118.8229 58.6878 32.6007 175.6472 47 D 4.3366 8.1640 130.6073 53.7965 39.1655 176.1547 48 L 4.5281 7.5564 124.7572 56.3085 42.0425 173.4217 49 T 4.6021 9.1816 117.3388 61.8526 70.4686 176.2927 50 E 3.9001 8.5871 122.6090 59.3612 29.6224 178.9285 51 A 4.0956 8.0293 120.1846 53.6029 18.9740 178.2957 52 E 4.3974 7.8488 115.1174 57.8724 30.3397 178.2315 53 V 3.5436 7.8292 118.3328 65.9939 31.6756 177.9384 54 V 3.5868 8.4753 118.7462 66.2622 31.2788 177.7038 55 R 3.8881 7.4903 118.3804 59.5328 29.7594 178.1610 56 L 3.9152 8.0984 120.2292 58.2362 42.4139 178.8367 57 R 4.0856 9.2204 118.4191 58.2856 29.7363 178.2764 58 E 3.9494 8.4291 118.3554 60.4522 29.3865 177.7973 59 Y 4.0895 7.9525 119.8702 59.9301 38.8178 177.7925 60 V 2.7329 8.4013 114.0932 67.3884 31.4550 176.9700 61 E 4.3342 6.9251 115.3677 57.1429 29.6795 177.3378 62 N 4.7908 7.8192 115.0281 53.4849 38.8348 174.6021 63 T 4.0705 6.4671 110.2402 62.2354 71.7713 177.4368 64 W 4.9174 6.3237 124.3641 54.8329 31.0312 174.7906 65 K 4.4669 8.7558 116.7393 55.6110 34.0309 173.8859 66 L 4.0247 9.7774 123.8944 54.5230 42.3384 168.9538 67 E 4.0631 8.2111 134.7367 57.1039 31.2401 177.6183 68 G 3.2083 9.0699 110.1634 43.9610 0.0000 173.5929 69 E 5.7611 9.1845 133.9091 56.4611 32.3627 178.9531 70 L 3.0641 7.6911 126.8692 55.2464 44.8727 175.8441 71 R 4.7185 8.6982 117.7931 59.3388 30.4133 178.3993 72 A 4.0109 8.7182 120.6244 55.1258 18.0042 179.0717 73 E 3.8557 7.8080 116.4325 59.4218 29.6342 178.7760 74 V 3.6054 7.7980 118.0132 66.2527 31.2277 177.6163 75 A 3.9519 7.9420 119.2358 55.2012 18.3074 179.0001 76 A 4.2883 8.6122 119.9094 55.6674 18.1635 179.4039 77 N 4.2318 8.9926 113.6494 56.6519 39.0356 177.2218 78 I 3.7990 7.8689 120.9154 65.1145 37.2584 177.7920 79 K 3.6853 9.1493 118.9045 59.9058 31.8122 178.6708 80 R 3.8757 8.4865 118.5958 59.8668 30.1512 178.3307 81 L 4.0544 7.7648 117.6917 56.7663 41.4731 178.5879 82 M 4.0063 8.1756 117.0976 55.5061 31.7682 180.7255 83 D 3.7135 8.8484 115.1127 53.5800 42.4408 174.8860 84 I 4.6726 8.2866 120.0353 60.0813 42.7229 174.4471 85 G 3.7125 10.3536 117.5506 44.5182 0.0000 174.6410 86 C 4.0406 8.9421 118.0573 59.2507 29.7723 171.2763 87 Y 4.4611 8.1689 123.6454 60.4216 38.9684 178.6575 88 R 3.4699 8.0138 118.7331 58.9730 30.7527 177.3904 89 G 4.0873 8.4619 106.7922 47.8256 0.0000 174.4832 90 L 4.4385 7.2449 119.1081 55.0587 41.8426 178.6645 91 R 4.2156 8.6771 118.2020 58.2455 29.2965 177.6891 92 H 4.4022 9.7383 113.6365 57.4755 29.7670 177.4410 93 R 3.9730 7.4698 117.7875 58.3848 29.9303 176.7922 94 R 4.4065 7.8984 114.4897 55.1396 31.3993 175.6205 95 G 3.7429 7.6508 103.5488 46.8905 0.0000 173.4352 96 L 4.4541 7.8760 121.1769 51.9014 41.8653 174.4566 97 P 4.4938 0.0000 0.0000 62.5824 31.9505 176.4485 98 V 4.1286 8.2950 120.1313 62.9286 32.1025 175.5064 99 R 4.2988 7.9292 116.7145 56.4501 30.1946 174.3769 100 G 3.8587 8.2925 112.2107 45.7921 0.0000 173.5146 101 Q 4.5106 8.0730 122.6530 53.6941 32.9947 175.4993 102 R 4.0687 8.5738 121.1108 56.8602 28.6463 177.3758 103 T 4.1436 8.2185 111.9531 62.6891 69.0791 175.9925 104 R 4.1279 7.9692 122.6828 59.0298 31.0908 176.2482 105 T 4.4720 7.2848 110.6037 61.0084 69.0876 173.4483 106 N 3.9038 8.1511 116.8847 52.7485 38.9523 173.6051 107 A 4.5985 8.8366 127.6798 52.3424 21.7589 178.5878 108 R 3.8364 7.5578 116.4389 59.7778 30.6281 178.6282 109 T 3.8791 7.7397 113.5424 66.4664 68.6936 175.6687 110 R 4.6771 8.0780 118.1191 54.4006 30.5902 176.6898 111 K 4.2857 8.2030 118.2036 54.9813 35.6022 175.0236 112 G 3.5151 8.8388 115.8797 45.4884 0.0000 170.6933 113 P 3.8234 0.0000 0.0000 62.3925 29.4961 172.3407 114 R 3.7570 7.9622 122.3339 56.7699 29.7281 177.2650 115 K 4.1130 8.8446 120.4250 57.1042 33.4453 179.9352 116 T 3.0783 8.8312 116.6863 63.5061 69.0408 175.4485 117 V 3.2482 8.8685 130.6397 63.4559 32.4779 170.4602 118 A 4.3544 7.3088 122.5200 54.1042 21.4757 175.6155 119 G 4.1539 7.9976 106.7066 45.7804 0.0000 173.2738 120 K 4.4031 8.0759 119.0142 54.5347 33.5425 175.6619 121 K 4.4226 8.2200 125.8008 55.9272 34.2720 175.4321 122 K 4.4320 8.1500 117.7390 56.5264 35.9858 174.3492 123 A 4.8287 8.2167 122.5605 49.8365 21.5933 174.9971 124 P 4.7745 0.0000 0.0000 60.1361 31.1052 178.6457 125 R 3.5042 8.6746 111.7767 57.4840 27.3144 176.5390 *126 K 4.1215 7.6938 121.2667 54.8685 32.4047 177.6329 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 2 A 8.26 4.33 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 3 R 8.25 4.34 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 4 I 7.79 4.19 1.91 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 1.37 0.65 0.94 0.00 0.00 5 A 9.17 3.91 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 6 G 9.50 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 7 V 8.72 4.45 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 0.89 0.00 0.00 0.95 0.00 0.00 8 E 8.68 4.50 0.00 2.02 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 2.29 2.30 0.00 9 I 8.34 4.55 1.90 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 1.45 0.75 0.96 0.00 0.00 10 P 0.00 4.97 0.00 2.24 2.35 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 11 R 7.64 3.73 0.00 1.94 1.89 0.00 3.29 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 12 N 8.87 4.27 0.00 2.87 2.89 0.00 0.00 6.73 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.55 4.63 0.00 2.04 1.65 0.00 2.07 0.00 0.00 2.02 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.75 7.81 14 R 8.63 4.20 0.00 2.31 2.29 0.00 3.00 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 15 V 8.77 3.56 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 0.78 0.00 0.00 1.00 0.00 0.00 16 D 8.05 4.53 0.00 2.77 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 17 V 7.49 4.05 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 1.02 0.00 0.00 0.89 0.00 0.00 18 A 8.69 3.65 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 19 L 7.60 3.97 0.00 1.73 1.75 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.52 4.36 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 1.23 0.00 0.00 21 Y 6.81 4.66 0.00 2.90 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 22 I 7.52 4.04 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 1.04 0.00 0.00 23 Y 8.58 4.71 0.00 3.02 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 24 G 9.49 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.10 4.40 2.08 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 1.04 0.00 0.00 26 G 8.27 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.73 3.80 0.00 1.87 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 28 A 8.04 4.17 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 29 R 7.71 4.23 0.00 1.77 2.05 0.00 2.68 0.00 0.00 2.25 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.40 0.00 30 A 7.75 4.27 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 31 K 8.47 3.97 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 32 E 8.63 3.65 0.00 2.31 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 0.00 2.46 2.71 0.00 33 A 8.69 4.38 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.07 4.64 0.00 1.92 1.67 0.97 0.65 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 35 E 8.34 4.36 0.00 2.06 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 0.00 2.40 2.14 0.00 36 K 6.97 4.49 0.00 0.79 1.23 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.52 7.81 37 T 7.92 4.17 4.15 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 0.98 0.00 0.00 38 G 7.58 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 0.00 0.00 0.00 39 I 7.29 4.38 1.85 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 1.15 0.81 0.90 0.00 0.00 40 N 8.95 4.05 0.00 2.64 2.78 0.00 0.00 7.26 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.27 0.00 2.08 2.08 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 42 A 7.68 4.44 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 43 T 7.54 4.25 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 1.21 0.00 0.00 44 R 8.12 4.64 0.00 1.96 1.83 0.00 3.38 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 45 V 7.70 3.71 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 0.80 0.00 0.00 0.99 0.00 0.00 46 K 7.44 3.84 0.00 1.91 1.76 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 47 D 8.16 4.34 0.00 2.78 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 48 L 7.56 4.53 0.00 1.88 1.69 0.92 0.81 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 49 T 9.18 4.60 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 50 E 8.59 3.90 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 51 A 8.03 4.10 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 52 E 7.85 4.40 0.00 2.10 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 2.30 2.34 0.00 53 V 7.83 3.54 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 54 V 8.48 3.59 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 0.93 0.00 0.00 0.98 0.00 0.00 55 R 7.49 3.89 0.00 2.12 2.09 0.00 3.12 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 56 L 8.10 3.92 0.00 1.99 1.80 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.22 4.09 0.00 2.00 1.90 0.00 3.38 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 58 E 8.43 3.95 0.00 2.12 1.99 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 2.46 2.45 0.00 59 Y 7.95 4.09 0.00 2.86 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 60 V 8.40 2.73 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 1.07 0.00 0.00 1.04 0.00 0.00 61 E 6.93 4.33 0.00 1.99 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 2.31 2.26 0.00 62 N 7.82 4.79 0.00 2.54 2.82 0.00 0.00 6.89 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 63 T 6.47 4.07 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 0.51 0.00 0.00 64 W 6.32 4.92 0.00 3.25 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.76 4.47 0.00 1.87 1.85 0.00 1.55 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.30 1.35 7.81 66 L 9.78 4.02 0.00 1.92 2.09 1.22 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.21 4.06 0.00 2.29 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 2.32 2.40 0.00 68 G 9.07 3.21 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 0.00 0.00 0.00 0.00 69 E 9.18 5.76 0.00 2.07 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 2.07 2.04 0.00 70 L 7.69 3.06 0.00 1.72 1.22 0.12 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.70 4.72 0.00 2.49 2.27 0.00 3.32 0.00 0.00 3.47 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 72 A 8.72 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.81 3.86 0.00 2.24 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 2.45 2.32 0.00 74 V 7.80 3.61 2.39 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 1.06 0.00 0.00 0.97 0.00 0.00 75 A 7.94 3.95 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 76 A 8.61 4.29 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.99 4.23 0.00 2.82 2.88 0.00 0.00 7.15 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 78 I 7.87 3.80 2.05 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 1.52 1.20 0.94 0.00 0.00 79 K 9.15 3.69 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.77 7.81 80 R 8.49 3.88 0.00 1.88 2.15 0.00 3.10 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 81 L 7.76 4.05 0.00 1.78 1.64 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 M 8.18 4.01 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 83 D 8.85 3.71 0.00 2.86 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 84 I 8.29 4.67 1.88 0.00 0.00 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 1.35 0.84 0.92 0.00 0.00 85 G 10.35 3.71 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 0.00 0.00 0.00 86 C 8.94 4.04 0.00 3.34 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 87 Y 8.17 4.46 0.00 3.01 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 88 R 8.01 3.47 0.00 1.68 1.84 0.00 3.25 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 89 G 8.46 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.24 4.44 0.00 1.92 1.66 1.07 0.93 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 91 R 8.68 4.22 0.00 1.99 2.20 0.00 3.66 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 0.00 92 H 9.74 4.40 0.00 3.60 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.47 3.97 0.00 1.90 1.98 0.00 3.26 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 94 R 7.90 4.41 0.00 1.77 1.90 0.00 3.41 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 95 G 7.65 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 96 L 7.88 4.45 0.00 1.73 1.64 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.49 0.00 2.16 2.02 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 98 V 8.30 4.13 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 0.76 0.00 0.00 0.97 0.00 0.00 99 R 7.93 4.30 0.00 1.82 1.91 0.00 3.40 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 100 G 8.29 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 0.00 101 Q 8.07 4.51 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.19 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 102 R 8.57 4.07 0.00 1.88 1.92 0.00 3.13 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 103 T 8.22 4.14 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 1.33 0.00 0.00 104 R 7.97 4.13 0.00 1.80 2.02 0.00 3.18 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 105 T 7.28 4.47 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 1.21 0.00 0.00 106 N 8.15 3.90 0.00 2.74 2.80 0.00 0.00 6.72 7.45 0.00 0.00 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 A 8.84 4.60 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 0.00 108 R 7.56 3.84 0.00 1.93 1.98 0.00 3.22 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 109 T 7.74 3.88 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 0.00 110 R 8.08 4.68 0.00 1.68 1.84 0.00 3.13 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 111 K 8.20 4.29 0.00 1.65 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.38 7.81 112 G 8.84 3.52 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 0.00 0.00 0.00 113 P 0.00 3.82 0.00 2.26 2.11 0.00 3.98 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 114 R 7.96 3.76 0.00 1.89 1.95 0.00 3.12 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 115 K 8.84 4.11 0.00 1.74 1.84 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 116 T 8.83 3.08 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 1.21 0.00 0.00 117 V 8.87 3.25 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 0.74 0.00 0.00 0.99 0.00 0.00 118 A 7.31 4.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.00 4.15 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 0.00 0.00 0.00 120 K 8.08 4.40 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 121 K 8.22 4.42 0.00 1.74 1.78 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 122 K 8.15 4.43 0.00 1.69 1.69 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 123 A 8.22 4.83 1.21 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 0.00 0.00 0.00 124 P 0.00 4.77 0.00 2.19 1.64 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 125 R 8.67 3.50 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 *126 K 7.69 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.