NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 S 4.4183 8.3349 115.2899 57.7663 63.6867 173.4719 15 K 4.4687 8.3943 126.9364 54.6171 33.6290 174.3934 16 R 5.2284 9.6763 118.9686 54.5682 33.2757 174.0164 17 V 4.9979 9.3210 121.6926 61.0022 35.3547 173.6445 18 L 4.7835 8.3501 128.1877 53.0186 44.9040 175.0112 19 V 4.5958 8.6116 126.1895 61.0741 34.6819 174.3566 20 V 4.3400 8.7921 128.9812 61.9027 32.1206 173.7299 21 E 5.2096 8.8287 127.3428 55.1825 32.5876 174.3879 22 D 4.7896 8.8528 124.1634 52.8807 41.2807 176.0205 23 N 4.4815 8.8372 120.6636 52.7832 39.6108 173.4483 24 P 4.2974 0.0000 0.0000 65.4096 31.5111 178.0028 25 D 4.3713 8.4966 119.4128 57.0214 40.7639 178.0260 26 D 4.4996 8.4178 119.0374 57.6618 40.9094 178.9196 27 I 3.4043 7.6611 119.7276 64.2357 36.9868 178.4407 28 A 3.8798 7.7838 121.5729 54.8268 18.0936 179.4512 29 L 3.7813 8.5086 119.2458 58.2362 42.0320 178.9535 30 I 3.5297 7.8265 120.0896 64.7802 37.2656 178.4640 31 R 3.9189 8.0150 118.3999 59.3689 29.8361 179.4845 32 R 3.8695 7.7612 117.4157 59.0091 30.0590 178.7943 33 V 3.1777 7.7436 118.4840 66.1228 31.3551 177.8549 34 L 3.8127 7.2983 118.2047 58.1547 41.4387 178.8047 35 D 4.3010 7.7882 117.8004 58.1408 40.5851 179.4827 36 R 3.9563 7.9416 117.7177 58.8541 30.2371 178.4583 37 K 4.2547 7.8973 115.3911 55.1343 32.5017 176.1979 38 D 4.2466 7.8342 117.9717 55.2621 38.9144 174.1310 39 I 4.1404 8.0604 120.3203 60.4123 37.4870 175.6257 40 H 4.8308 8.6283 123.9252 54.3501 29.4925 173.7528 41 C 4.8740 8.2301 117.9517 57.2894 32.9623 173.0523 42 Q 4.4968 9.4088 119.1818 54.9015 29.8851 174.7421 43 L 5.0853 8.5698 125.6516 53.3080 44.5304 175.1557 44 E 4.7692 8.9076 124.8159 54.6647 33.1054 174.6281 45 F 5.3411 9.0679 122.6720 56.0708 41.7604 175.3950 46 V 4.7580 8.5715 113.9310 60.0524 36.2388 175.5100 47 D 4.8641 8.7971 120.7812 53.3423 40.1597 175.5979 48 N 4.9910 7.4884 117.4551 51.1143 41.3898 175.1364 49 G 3.7161 8.8429 107.5843 47.0940 0.0000 175.9416 50 A 4.0308 8.0258 122.6036 55.1304 18.5280 179.7766 51 K 4.0145 8.5676 116.8399 59.2356 32.0321 179.4497 52 A 3.9210 7.9342 121.1850 55.3898 18.1844 179.7541 53 L 3.9620 8.1167 116.2405 57.8577 41.8259 179.1102 54 Y 4.1799 7.9550 119.3343 60.8877 38.8395 177.7610 55 Q 4.0977 8.2919 118.9795 58.9593 28.5706 179.0708 56 V 3.9090 7.8758 112.5544 63.9127 31.6343 177.8118 57 Q 4.1518 7.5841 115.8809 57.3148 28.7961 177.0508 58 Q 4.2720 7.8286 117.9288 55.8597 29.9009 175.2890 59 A 4.4339 6.9184 119.7319 50.2307 22.2162 174.8714 60 K 4.2912 8.1437 121.2414 55.4689 32.9699 175.9558 61 Y 4.6116 9.1270 124.5194 56.8555 39.4737 175.5580 62 D 4.6745 8.7737 122.0533 55.9395 41.8969 176.5184 63 L 4.3986 7.3693 117.5035 54.1358 45.6074 173.0998 64 I 4.8793 8.1046 125.6385 59.5494 40.8229 174.2705 65 I 4.9896 8.5980 128.2674 59.3671 40.0686 174.7486 66 L 5.0372 8.6892 125.5995 54.1250 44.2896 175.0166 67 D 5.0932 8.8045 122.1566 52.7941 41.2108 176.6671 68 I 3.7657 8.4256 126.6523 62.4510 38.3815 177.0987 69 G 3.5868 8.1644 108.7000 48.5414 0.0000 173.6965 70 L 4.0587 7.6415 120.2985 54.1393 41.2679 175.7607 71 P 4.2453 0.0000 0.0000 65.7742 31.6815 179.1485 72 I 3.6867 7.9290 117.4741 63.7176 37.2126 177.7759 73 A 4.0406 8.2893 123.4477 53.0289 19.0771 176.8439 74 N 4.8771 7.8751 113.2561 53.0477 36.7293 175.7105 75 G 3.4504 7.9953 108.4635 48.8695 0.0000 174.3956 76 F 4.3112 7.7702 118.0642 60.0579 39.5167 176.7674 77 E 4.1241 8.5114 119.6779 59.6744 29.4715 180.0371 78 V 3.3685 8.1321 115.2943 64.0136 31.2735 177.5632 *80 S 4.3479 8.2464 115.5434 58.1547 64.2641 176.1022 81 A 3.9933 7.9700 122.9649 55.1198 18.5965 179.9061 82 V 3.6247 8.1691 116.0471 66.0036 31.6557 177.8540 83 R 4.3599 7.4482 116.5337 57.2594 30.1372 177.0753 84 K 4.2292 7.3943 117.1722 54.9599 32.7212 174.9547 85 P 4.5277 0.0000 0.0000 62.6356 32.0754 175.6113 86 G 4.2174 8.7269 106.0624 42.7220 0.0000 174.5417 87 A 3.9191 8.3724 122.9409 55.2671 18.5162 178.4075 88 N 5.2144 7.9313 110.7890 52.6438 38.7824 176.6434 89 Q 4.6817 7.8058 122.2454 58.4527 28.9948 178.0754 90 H 4.9480 7.7860 111.2953 55.5721 29.7316 173.7680 91 T 4.0025 7.7726 118.2726 62.9613 69.2811 172.2051 92 P 4.1267 0.0000 0.0000 63.2433 32.6590 175.1424 93 I 4.4900 8.3578 124.5841 59.5441 39.8110 174.5224 94 V 4.5217 8.3031 128.3216 61.0929 33.5973 174.5925 95 I 4.4185 8.7285 129.7250 60.6189 38.2222 174.6464 96 L 5.0985 8.8565 128.9676 53.6535 44.4653 174.7204 97 T 4.8118 8.5549 120.2027 60.1069 71.2464 172.6972 98 D 4.4976 8.6724 127.7311 55.0346 41.7157 175.7221 99 N 4.1868 8.9771 117.8162 53.9267 36.1562 174.9588 100 V 3.5757 7.1724 111.1473 62.1841 32.2123 177.2791 101 S 4.6531 8.3801 119.4086 57.2889 65.9721 175.0015 102 D 4.3847 8.4333 121.6619 57.4553 40.4831 178.8546 103 D 4.3259 7.9778 119.0731 57.3533 40.9725 178.6246 104 R 3.9470 8.1508 118.9940 59.1798 29.8813 178.0583 105 A 3.9670 7.8450 119.5844 55.2573 18.4512 179.0468 106 K 3.9966 8.0457 116.5472 59.9298 32.6777 178.5039 107 Q 4.2434 8.5474 118.5253 59.0939 28.6323 179.7218 108 C 4.4664 8.7315 116.0581 60.1003 27.8664 175.6178 *110 A 4.2083 8.0095 125.0834 52.2552 19.8710 178.5805 111 A 4.2435 7.8001 115.5016 52.4029 18.7872 177.7116 112 G 4.0045 8.5464 102.4374 44.7873 0.0000 174.4282 113 A 4.0461 7.8752 123.1086 52.5145 18.9221 178.2773 114 S 4.3861 8.6646 118.2287 61.5967 63.6892 175.0463 115 S 4.6607 7.6763 111.5753 57.1456 65.7198 173.5448 116 V 4.8004 8.4813 126.1177 61.0764 33.7887 174.6091 117 V 4.4233 9.0888 127.8250 60.7321 34.4533 173.8830 118 D 4.7768 8.8375 128.1711 54.3333 41.2663 175.6717 119 K 3.6891 8.7944 126.6634 57.5214 33.3097 177.5292 120 S 3.9600 8.0669 115.2905 59.5349 60.6860 173.3536 121 S 4.2942 7.8209 112.0643 59.5067 63.6896 175.3254 122 N 4.5587 7.9885 117.4049 53.9482 37.3734 175.3959 123 N 4.8752 8.2230 118.0189 50.8953 40.0930 174.2857 124 V 3.8496 8.3062 127.7053 64.6667 31.6714 178.4361 125 T 3.8695 8.0109 116.1128 66.6110 68.3685 176.2340 126 D 4.4284 8.3691 120.5727 57.3365 40.9395 178.2572 127 F 5.0170 8.4610 122.7063 61.0458 39.2511 176.4467 128 Y 3.9324 8.5735 119.2076 60.8589 38.5607 178.5112 129 G 3.8576 8.3939 106.1699 47.8502 0.0000 175.8720 130 R 4.0584 8.6851 120.8405 59.0983 30.0795 179.0717 131 I 3.8828 8.0194 119.5931 64.7792 37.1037 177.8169 132 Y 4.2658 8.2352 120.0635 60.6508 38.6040 177.9206 133 A 3.7537 8.4509 122.0020 55.0696 18.4889 179.5816 134 I 3.8096 8.0938 118.3844 64.9063 37.3089 178.8250 135 F 3.9857 8.4364 118.5143 60.2105 38.6658 177.8640 136 S 4.0274 8.3405 113.0770 61.5219 62.1103 175.4178 137 Y 3.7160 8.3314 122.3515 60.6880 38.3611 178.2341 138 W 4.0721 8.0636 118.3986 58.7964 29.2774 177.7770 139 L 4.5544 7.9744 117.6484 55.0951 42.0731 177.0947 140 T 4.4847 7.9426 105.8011 60.9716 70.1288 174.1723 141 V 3.8880 7.2861 119.6044 64.3410 33.0538 175.2193 142 N 4.0431 7.2196 117.8917 53.2434 39.2198 174.0732 143 H 4.1480 8.7418 125.1316 56.5250 30.4991 173.9167 144 C 4.8375 8.0341 123.8842 57.3927 30.7107 173.8942 145 Q 4.1653 8.6979 120.8049 56.5645 28.0740 176.1434 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 14 S 8.33 4.42 0.00 3.85 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 15 K 8.39 4.47 0.00 1.87 1.84 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.49 7.81 16 R 9.68 5.23 0.00 1.88 1.99 0.00 2.56 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.37 0.00 17 V 9.32 5.00 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 0.95 0.00 0.00 1.06 0.00 0.00 18 L 8.35 4.78 0.00 0.27 0.69 0.72 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.61 4.60 1.58 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 1.02 0.00 0.00 0.65 0.00 0.00 20 V 8.79 4.34 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 0.85 0.00 0.00 0.85 0.00 0.00 21 E 8.83 5.21 0.00 2.15 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 2.39 2.39 0.00 22 D 8.85 4.79 0.00 2.80 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 23 N 8.84 4.48 0.00 2.79 2.90 0.00 0.00 6.83 7.90 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 24 P 0.00 4.30 0.00 2.26 2.24 0.00 3.74 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 2.05 2.03 0.00 25 D 8.50 4.37 0.00 2.85 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.42 4.50 0.00 3.04 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 27 I 7.66 3.40 1.54 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 0.81 0.81 -0.29 0.00 0.00 28 A 7.78 3.88 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 29 L 8.51 3.78 0.00 1.61 1.59 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.83 3.53 2.18 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 1.01 0.00 0.00 31 R 8.01 3.92 0.00 1.83 1.99 0.00 3.08 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 32 R 7.76 3.87 0.00 2.05 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 33 V 7.74 3.18 1.85 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 0.67 0.00 0.00 0.06 0.00 0.00 34 L 7.30 3.81 0.00 1.68 1.70 0.27 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.79 4.30 0.00 2.93 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 36 R 7.94 3.96 0.00 1.93 2.00 0.00 3.32 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 37 K 7.90 4.25 0.00 1.78 1.85 0.00 0.97 0.00 0.00 1.41 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.13 7.81 38 D 7.83 4.25 0.00 2.82 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 39 I 8.06 4.14 1.85 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 1.02 0.00 0.00 40 H 8.63 4.83 0.00 3.16 3.25 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.23 4.87 0.00 3.10 2.95 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 42 Q 9.41 4.50 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 43 L 8.57 5.09 0.00 1.63 1.58 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.91 4.77 0.00 1.90 1.81 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 2.29 2.34 0.00 45 F 9.07 5.34 0.00 2.89 2.96 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 46 V 8.57 4.76 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 0.93 0.00 0.00 0.93 0.00 0.00 47 D 8.80 4.86 0.00 2.76 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 48 N 7.49 4.99 0.00 3.18 2.94 0.00 0.00 6.10 6.94 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 49 G 8.84 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 50 A 8.03 4.03 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 51 K 8.57 4.01 0.00 1.85 1.90 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.75 7.81 52 A 7.93 3.92 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 53 L 8.12 3.96 0.00 1.78 1.79 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.96 4.18 0.00 3.08 3.16 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 55 Q 8.29 4.10 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 56 V 7.88 3.91 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 0.77 0.00 0.00 1.02 0.00 0.00 57 Q 7.58 4.15 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 58 Q 7.83 4.27 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 59 A 6.92 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.14 4.29 0.00 1.62 1.61 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.44 7.81 61 Y 9.13 4.61 0.00 2.95 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 62 D 8.77 4.67 0.00 2.59 2.75 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 63 L 7.37 4.40 0.00 1.62 1.33 0.46 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 I 8.10 4.88 1.69 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 0.88 0.55 0.73 0.00 0.00 65 I 8.60 4.99 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.44 0.96 0.00 0.00 66 L 8.69 5.04 0.00 1.60 1.59 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.80 5.09 0.00 3.04 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 68 I 8.43 3.77 1.70 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.59 0.85 0.00 0.00 69 G 8.16 3.59 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 0.00 70 L 7.64 4.06 0.00 1.86 1.74 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.25 0.00 2.18 2.13 0.00 3.62 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 72 I 7.93 3.69 1.87 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 0.95 0.91 0.00 0.00 73 A 8.29 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.88 4.88 0.00 2.91 2.95 0.00 0.00 7.05 7.12 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 75 G 8.00 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.77 4.31 0.00 3.12 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.51 4.12 0.00 2.26 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 2.44 2.42 0.00 78 V 8.13 3.37 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 0.97 0.00 0.00 1.00 0.00 0.00 *80 S 8.25 4.35 0.00 3.97 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 81 A 7.97 3.99 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 82 V 8.17 3.62 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 0.95 0.00 0.00 0.98 0.00 0.00 83 R 7.45 4.36 0.00 1.92 1.97 0.00 3.39 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 84 K 7.39 4.23 0.00 1.94 1.73 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.59 7.81 85 P 0.00 4.53 0.00 2.02 2.01 0.00 3.71 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 86 G 8.73 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 0.00 0.00 0.00 87 A 8.37 3.92 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 88 N 7.93 5.21 0.00 2.77 2.83 0.00 0.00 7.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 7.81 4.68 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.82 0.00 0.00 0.00 0.00 0.00 2.10 2.43 0.00 90 H 7.79 4.95 0.00 3.16 3.23 0.00 5.78 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.77 4.00 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 1.26 0.00 0.00 92 P 0.00 4.13 0.00 1.31 0.49 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 93 I 8.36 4.49 1.73 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 0.97 0.91 0.77 0.00 0.00 94 V 8.30 4.52 1.85 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 1.04 0.00 0.00 0.45 0.00 0.00 95 I 8.73 4.42 1.82 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 1.03 0.85 0.90 0.00 0.00 96 L 8.86 5.10 0.00 1.76 1.55 1.07 0.53 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 97 T 8.55 4.81 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 1.18 0.00 0.00 98 D 8.67 4.50 0.00 2.51 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 99 N 8.98 4.19 0.00 2.84 2.89 0.00 0.00 7.00 7.68 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 0.00 100 V 7.17 3.58 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 0.73 0.00 0.00 0.93 0.00 0.00 101 S 8.38 4.65 0.00 4.05 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 0.00 102 D 8.43 4.38 0.00 2.71 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 0.00 103 D 7.98 4.33 0.00 2.70 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 0.00 104 R 8.15 3.95 0.00 1.97 1.95 0.00 3.54 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 105 A 7.84 3.97 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 0.00 106 K 8.05 4.00 0.00 1.95 2.07 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 107 Q 8.55 4.24 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 108 C 8.73 4.47 0.00 3.05 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 *110 A 8.01 4.21 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 0.00 111 A 7.80 4.24 1.58 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 0.00 0.00 112 G 8.55 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 A 7.88 4.05 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 0.00 114 S 8.66 4.39 0.00 3.44 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.68 4.66 0.00 4.17 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 0.00 116 V 8.48 4.80 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 0.83 0.00 0.00 0.93 0.00 0.00 117 V 9.09 4.42 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 0.95 0.00 0.00 0.99 0.00 0.00 118 D 8.84 4.78 0.00 2.72 2.57 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 0.00 119 K 8.79 3.69 0.00 1.52 1.00 0.00 1.76 0.00 0.00 1.21 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.93 1.29 7.81 120 S 8.07 3.96 0.00 3.99 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 0.00 121 S 7.82 4.29 0.00 3.90 3.18 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 0.00 122 N 7.99 4.56 0.00 2.86 2.97 0.00 0.00 5.76 8.04 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 0.00 123 N 8.22 4.88 0.00 2.76 2.73 0.00 0.00 6.89 7.05 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 0.00 124 V 8.31 3.85 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 125 T 8.01 3.87 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 1.22 0.00 0.00 126 D 8.37 4.43 0.00 3.02 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 0.00 127 F 8.46 5.02 0.00 3.31 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 0.00 128 Y 8.57 3.93 0.00 3.25 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 0.00 129 G 8.39 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 0.00 130 R 8.69 4.06 0.00 2.30 2.15 0.00 3.36 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 131 I 8.02 3.88 1.86 0.00 0.00 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 1.50 0.85 0.90 0.00 0.00 132 Y 8.24 4.27 0.00 2.85 3.16 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 0.00 133 A 8.45 3.75 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 0.00 134 I 8.09 3.81 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.80 0.81 0.00 0.00 135 F 8.44 3.99 0.00 3.16 3.20 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 0.00 136 S 8.34 4.03 0.00 3.28 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 0.00 137 Y 8.33 3.72 0.00 2.88 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 0.00 138 W 8.06 4.07 0.00 3.41 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 0.00 139 L 7.97 4.55 0.00 1.81 1.77 1.17 0.63 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 0.00 140 T 7.94 4.48 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 141 V 7.29 3.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.79 0.00 0.00 142 N 7.22 4.04 0.00 1.99 2.80 0.00 0.00 7.30 7.84 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 0.00 143 H 8.74 4.15 0.00 3.14 3.20 0.00 5.73 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 C 8.03 4.84 0.00 2.89 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 0.00 145 Q 8.70 4.17 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.