NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3327 8.0327 117.3755 63.7608 70.8204 175.5347 8 D 4.1872 8.1304 120.1584 57.0404 40.9698 176.8523 9 Q 3.9821 8.7484 119.3240 59.1014 29.3443 177.6076 10 N 4.3364 8.1186 116.9868 56.1664 38.6390 176.9967 11 L 3.9366 8.3352 122.0601 58.3957 42.2511 178.9531 12 Q 3.9984 7.9275 119.2686 58.9546 29.0414 177.9678 13 A 3.9618 8.1436 122.2606 55.1649 18.3580 179.1360 14 C 4.0943 8.3481 117.2327 62.1527 31.5188 175.9439 15 I 3.7162 7.8076 121.7126 64.5827 36.6761 178.1472 16 D 4.3514 8.1675 119.4681 57.0584 40.4665 178.8354 17 A 3.9829 7.8380 120.9702 55.4017 18.3773 179.4887 18 C 4.1293 8.2933 115.4539 62.9430 28.2152 175.8768 19 N 4.5464 8.4926 118.8480 56.9996 38.5418 176.4351 20 H 4.1226 8.6124 119.9647 59.5051 29.9348 176.8691 21 C 4.2586 8.4229 122.1693 61.8855 31.3344 174.9221 22 Y 4.1602 8.4885 121.6735 60.7861 38.4218 178.1004 23 R 3.2677 7.5657 118.8692 59.3189 29.8914 179.2295 24 T 3.7625 7.5726 114.1637 66.8010 68.5322 176.2532 25 C 4.2818 8.0263 117.4855 62.6303 28.2368 175.6653 26 L 4.1483 7.6152 120.6359 58.1062 41.7885 179.1733 27 R 3.8718 7.5693 112.8045 57.6235 29.8876 176.3167 *29 A 4.1198 7.6769 118.4098 51.9111 20.2213 178.5733 *31 N 4.7453 7.6689 115.3484 53.8421 40.4365 175.9418 32 H 4.0588 8.6505 119.8438 60.5949 30.6073 176.0734 33 C 3.9812 7.9875 117.2391 62.9487 27.9025 176.1945 34 L 4.0626 7.3717 117.8117 57.5265 41.2925 178.7208 35 E 4.2140 8.3065 116.2166 57.4913 29.7360 177.6775 36 A 4.3797 7.6302 120.0622 53.1375 20.3697 178.5946 37 G 3.8018 8.7968 105.9186 46.6820 0.0000 173.6927 38 G 3.8407 8.1415 109.3889 46.9390 0.0000 177.9193 39 K 4.0855 8.6211 124.7731 58.9129 32.0585 178.5219 40 H 4.1762 7.9591 115.0070 57.8257 28.6501 176.3006 41 V 4.3469 7.1905 116.9253 62.1999 31.7964 175.4071 42 E 4.0596 8.0511 119.0655 55.6695 30.9865 176.6124 43 A 3.9186 8.6921 128.2473 56.0556 18.5323 179.5552 44 D 4.3274 8.3916 115.7793 57.5750 40.7816 178.6393 45 H 4.1157 8.3470 117.6413 59.1845 30.0435 176.7594 46 L 3.9685 7.7241 120.5816 58.1346 42.0117 178.5777 47 R 4.1353 7.6769 116.7078 58.6914 31.6686 178.1742 48 L 4.1660 7.5030 121.6422 55.4966 38.4839 176.4387 *51 N 4.6096 7.9224 120.1051 53.0559 41.3178 176.5994 52 C 4.0599 8.7186 117.7274 62.5127 31.5556 175.4675 53 A 4.1323 8.0029 121.8131 55.1069 18.0361 178.8968 54 E 3.7608 8.1287 117.2781 59.5457 29.7731 178.6367 55 I 3.6219 8.1497 118.9270 64.3735 37.9446 177.6650 56 C 4.1310 8.2597 117.5712 62.8500 27.9543 175.8898 57 Q 3.5479 7.9687 121.1825 59.0975 28.4079 178.5101 58 T 3.9087 7.8121 116.9049 66.6433 68.3009 176.8666 59 S 4.0683 8.0023 116.0743 61.4609 62.9415 176.1124 60 L 4.1381 7.9290 121.9307 58.4732 42.1064 178.5413 61 N 4.5833 8.3260 116.2263 56.2141 38.3279 177.7718 62 F 4.1136 8.6539 115.6319 58.5258 38.4607 176.9619 *64 L 4.2413 7.8335 120.8921 54.8724 43.2039 178.0706 65 S 4.2688 8.2522 110.3667 58.2095 63.2810 174.1236 66 G 3.8176 8.0276 108.6865 46.7513 0.0000 174.0734 67 S 4.2495 8.1323 114.0348 57.8872 62.8723 174.0465 68 R 4.2194 8.4781 121.1902 56.8184 30.0279 176.7060 69 F 4.7115 8.5082 117.7737 57.7578 39.7486 177.5518 70 S 4.2737 8.4304 119.1341 61.3886 62.5942 174.4109 71 P 4.2321 0.0000 0.0000 65.5681 30.9381 178.3719 72 K 3.9157 8.0714 117.5304 59.6369 32.2170 178.7035 73 V 3.4469 7.6677 118.3548 66.2581 31.2771 177.7603 74 C 4.2417 8.8098 116.8909 62.6484 27.4088 176.2547 75 G 3.6233 8.1760 107.4546 47.8538 0.0000 175.9611 76 V 3.6311 7.5538 120.6651 65.7187 31.4926 177.6792 77 C 4.0665 8.1895 118.3992 62.3796 31.3960 175.4100 78 A 3.9797 8.3684 122.7851 55.0385 18.0691 179.2103 79 E 3.8784 7.8737 117.0535 59.6285 29.6815 179.2269 80 I 3.7841 7.7069 119.6284 64.4212 37.0192 178.2667 81 C 4.1518 8.3221 117.8158 62.8802 28.0917 175.8314 82 D 4.3333 8.2379 120.2402 57.3413 40.4041 178.7785 83 A 4.0065 7.9028 120.8305 55.2972 18.4038 179.2591 84 C 4.0828 8.4273 117.2444 62.4735 31.4773 175.6249 85 A 4.0317 8.3504 122.7729 55.1709 17.7357 179.8243 86 K 3.9649 7.7982 115.7385 59.4697 31.9680 179.2773 87 S 4.2414 8.1526 113.6351 61.6024 62.0508 175.9509 88 C 4.2648 8.3508 118.9203 62.2034 27.6202 175.7431 89 E 3.9906 7.6323 120.0757 59.2079 28.9972 178.6684 90 Q 4.0647 7.6008 118.7125 57.7928 29.3423 176.3592 91 L 4.3971 6.8331 118.2632 53.5215 43.1178 175.3873 92 D 4.8079 8.3822 119.4341 53.0038 41.9307 175.5912 93 G 3.5467 8.2526 106.3973 45.6178 0.0000 173.3187 *95 E 4.3952 7.7441 119.6817 56.4381 32.4072 178.7310 96 E 4.0050 8.0745 118.4288 59.3210 29.5972 178.3281 97 C 4.1409 8.0048 118.4702 62.1500 31.7911 175.3779 98 V 3.5790 7.7641 119.4391 66.0243 31.2037 177.3996 99 Q 3.9302 7.9102 118.8198 59.7471 28.8024 178.4502 100 T 3.9525 7.8401 113.4878 65.3602 67.4683 175.9890 101 C 4.2135 8.3390 118.8267 62.6354 28.1980 176.3390 102 R 3.9438 8.0247 119.8564 59.0741 29.7030 178.7745 103 Q 3.9372 8.0203 119.2250 59.3985 29.0861 177.6656 104 C 4.1025 8.2780 119.4905 62.6428 31.5837 175.3603 105 A 4.0142 7.9687 121.9571 55.0800 17.9905 179.3114 106 E 3.8514 8.0347 117.4515 59.8609 29.5678 178.8210 107 H 4.1956 8.0444 114.8748 59.0737 28.8162 177.3211 108 C 4.3294 8.3402 118.1006 62.8625 28.2460 176.0331 109 R 4.1437 8.1763 119.7204 58.9417 28.0855 179.5995 110 K 4.0363 7.7730 115.3924 56.9626 31.7358 178.6900 *112 A 4.5694 8.0598 124.6119 52.2729 20.2862 179.4127 113 A 4.1953 7.9635 116.8726 54.1037 18.6546 178.6981 114 L 4.1201 7.2761 114.1126 57.3317 42.0085 176.8315 115 E 4.0805 7.7799 123.1404 56.3975 29.4582 176.0877 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 7 T 8.03 4.33 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 8 D 8.13 4.19 0.00 2.79 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 9 Q 8.75 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 10 N 8.12 4.34 0.00 2.74 2.89 0.00 0.00 6.69 6.74 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 11 L 8.34 3.94 0.00 1.95 1.67 0.93 0.60 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 12 Q 7.93 4.00 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 13 A 8.14 3.96 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 14 C 8.35 4.09 0.00 3.05 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 15 I 7.81 3.72 2.03 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 1.55 0.61 0.94 0.00 0.00 16 D 8.17 4.35 0.00 2.68 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 17 A 7.84 3.98 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 18 C 8.29 4.13 0.00 3.21 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 19 N 8.49 4.55 0.00 3.00 3.03 0.00 0.00 6.88 8.34 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 20 H 8.61 4.12 0.00 3.36 3.48 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.42 4.26 0.00 3.13 3.02 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 22 Y 8.49 4.16 0.00 3.00 3.22 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 23 R 7.57 3.27 0.00 1.82 1.72 0.00 3.09 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.00 24 T 7.57 3.76 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 1.17 0.00 0.00 25 C 8.03 4.28 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 26 L 7.62 4.15 0.00 1.84 1.62 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.57 3.87 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 *29 A 7.68 4.12 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 *31 N 7.67 4.75 0.00 2.94 2.71 0.00 0.00 6.62 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 32 H 8.65 4.06 0.00 3.15 3.30 0.00 5.70 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 33 C 7.99 3.98 0.00 3.21 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 34 L 7.37 4.06 0.00 1.66 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.31 4.21 0.00 1.98 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 2.33 2.40 0.00 36 A 7.63 4.38 1.14 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 0.00 0.00 37 G 8.80 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 38 G 8.14 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 0.00 0.00 0.00 39 K 8.62 4.09 0.00 1.75 1.79 0.00 1.65 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.44 7.81 40 H 7.96 4.18 0.00 3.37 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.19 4.35 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 0.77 0.00 0.00 0.96 0.00 0.00 42 E 8.05 4.06 0.00 2.17 1.82 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 2.31 2.47 0.00 43 A 8.69 3.92 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 44 D 8.39 4.33 0.00 2.89 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 45 H 8.35 4.12 0.00 3.11 3.49 0.00 5.96 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.72 3.97 0.00 1.67 1.67 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.68 4.14 0.00 1.98 1.99 0.00 3.22 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 48 L 7.50 4.17 0.00 1.94 1.73 0.92 0.76 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 *51 N 7.92 4.61 0.00 3.05 2.88 0.00 0.00 6.62 7.66 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 52 C 8.72 4.06 0.00 3.03 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 53 A 8.00 4.13 1.45 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 54 E 8.13 3.76 0.00 2.08 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 0.00 2.36 2.39 0.00 55 I 8.15 3.62 1.84 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 1.48 1.28 0.95 0.00 0.00 56 C 8.26 4.13 0.00 3.28 3.22 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 57 Q 7.97 3.55 0.00 1.56 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.04 1.62 0.00 58 T 7.81 3.91 4.30 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 1.05 0.00 0.00 59 S 8.00 4.07 0.00 3.96 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 60 L 7.93 4.14 0.00 1.69 1.91 1.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.33 4.58 0.00 3.04 2.89 0.00 0.00 7.10 7.70 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 62 F 8.65 4.11 0.00 3.28 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 *64 L 7.83 4.24 0.00 1.86 1.78 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.25 4.27 0.00 3.89 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 66 G 8.03 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 0.00 0.00 0.00 67 S 8.13 4.25 0.00 3.58 3.99 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 68 R 8.48 4.22 0.00 1.73 1.90 0.00 2.91 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.00 69 F 8.51 4.71 0.00 3.53 3.26 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 70 S 8.43 4.27 0.00 3.94 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 71 P 0.00 4.23 0.00 2.16 2.12 0.00 3.68 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 2.11 2.17 0.00 72 K 8.07 3.92 0.00 1.98 2.05 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.58 7.81 73 V 7.67 3.45 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 0.66 0.00 0.00 0.16 0.00 0.00 74 C 8.81 4.24 0.00 3.18 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 75 G 8.18 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 76 V 7.55 3.63 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 0.95 0.00 0.00 0.90 0.00 0.00 77 C 8.19 4.07 0.00 3.11 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 78 A 8.37 3.98 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 79 E 7.87 3.88 0.00 2.06 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 2.30 2.35 0.00 80 I 7.71 3.78 1.86 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 1.51 0.57 0.91 0.00 0.00 81 C 8.32 4.15 0.00 3.14 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 82 D 8.24 4.33 0.00 2.86 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 83 A 7.90 4.01 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 84 C 8.43 4.08 0.00 3.09 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 85 A 8.35 4.03 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 86 K 7.80 3.96 0.00 1.93 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.64 7.81 87 S 8.15 4.24 0.00 3.94 4.07 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 88 C 8.35 4.26 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 89 E 7.63 3.99 0.00 2.06 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 2.35 2.63 0.00 90 Q 7.60 4.06 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 91 L 6.83 4.40 0.00 1.55 1.31 0.72 0.67 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 92 D 8.38 4.81 0.00 2.78 2.66 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 93 G 8.25 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 *95 E 7.74 4.40 0.00 2.13 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 0.00 2.31 2.38 0.00 96 E 8.07 4.00 0.00 2.04 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 2.39 2.39 0.00 97 C 8.00 4.14 0.00 3.06 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 98 V 7.76 3.58 2.23 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 0.99 0.00 0.00 1.00 0.00 0.00 99 Q 7.91 3.93 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 100 T 7.84 3.95 4.30 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 1.28 0.00 0.00 101 C 8.34 4.21 0.00 3.25 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 0.00 102 R 8.02 3.94 0.00 2.06 1.98 0.00 3.14 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 1.66 1.80 0.00 103 Q 8.02 3.94 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 104 C 8.28 4.10 0.00 3.15 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 0.00 105 A 7.97 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.03 3.85 0.00 2.07 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 0.00 2.19 2.30 0.00 107 H 8.04 4.20 0.00 3.30 3.38 0.00 5.91 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.34 4.33 0.00 3.13 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 0.00 109 R 8.18 4.14 0.00 2.10 1.98 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 110 K 7.77 4.04 0.00 2.03 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.71 7.81 *112 A 8.06 4.57 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 0.00 113 A 7.96 4.20 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 0.00 114 L 7.28 4.12 0.00 1.62 1.73 0.93 0.85 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 0.00 115 E 7.78 4.08 0.00 1.89 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 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.