NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2289 8.3144 121.7899 55.5133 33.4048 174.8966 2 E 3.8278 8.5652 122.7195 54.7598 30.0503 175.8660 3 T 4.2040 8.7071 117.9828 61.2798 72.1096 175.0402 4 A 3.9985 8.5504 123.7484 55.4866 18.3268 180.0530 5 A 4.0468 8.0209 118.5184 54.9954 18.5337 179.6071 6 A 4.1691 8.2597 119.6977 55.1511 18.4437 179.7617 7 K 4.0027 8.3559 118.3899 59.5563 32.3657 178.7732 8 F 4.0764 8.3609 121.0137 61.2895 39.4101 176.9455 9 E 4.0160 8.1876 118.1490 59.5993 29.1133 179.4253 10 R 3.9359 7.8258 117.3049 59.2436 30.1761 177.9716 11 Q 3.9983 7.7416 116.8113 57.5152 29.2324 176.0091 12 H 4.8732 7.6260 113.1018 53.7994 31.5092 172.9872 13 M 4.6486 7.9176 118.7014 53.8974 33.4927 175.9086 14 D 4.7004 9.2462 123.9043 52.6786 42.3617 175.4475 15 S 4.6636 8.5530 116.7948 58.1709 63.5029 175.6327 16 S 4.3279 7.9708 116.5023 60.1011 63.1779 174.3978 17 T 4.6740 7.5134 109.7732 59.6282 71.2602 173.9001 18 S 4.3183 8.4344 116.0334 58.9315 63.9049 173.9255 19 A 4.0608 6.5086 121.2545 51.5301 22.1086 175.9362 20 A 3.7865 8.3955 124.8226 51.8358 18.2885 178.8701 21 S 4.7453 8.0758 122.7095 57.8214 63.1296 174.8104 22 S 4.5908 7.3737 112.3404 57.3321 65.1583 174.9858 23 S 4.3770 8.7992 121.1319 60.0435 63.2663 174.2446 24 N 4.7919 8.1700 118.5457 53.4837 39.3515 175.9681 25 Y 4.0064 7.9721 120.3704 61.0791 38.8068 177.5856 26 C 4.1754 8.2240 116.6157 60.1354 38.6162 175.6108 27 N 4.4102 8.3397 117.5720 56.5653 38.0110 177.0915 28 Q 3.9005 8.1390 120.5729 59.5366 29.2484 178.0654 29 M 3.7899 7.8576 121.2964 57.9422 31.8024 178.6501 30 M 3.9785 8.2741 119.2390 58.1591 31.8562 178.7649 31 K 3.9889 7.6219 119.0894 59.2957 32.3047 179.1292 32 S 4.1079 8.3247 114.1377 60.7958 63.2675 175.5032 33 R 4.3500 8.0110 118.1553 55.4042 29.8823 175.7297 34 N 4.2066 7.6145 114.1115 54.6875 35.9089 174.8431 35 L 4.5225 8.0809 116.5929 55.1200 42.4219 178.0254 36 T 5.3636 7.4461 107.7559 60.3999 68.9423 175.7783 37 K 4.1942 8.0933 121.5621 59.9901 32.4673 178.0176 38 D 4.5453 7.7862 118.7262 55.8002 41.9557 176.7516 39 R 3.9540 7.1708 116.9192 54.9187 32.7296 174.5929 40 C 4.5532 8.5650 121.1075 55.8298 39.6223 173.6197 41 K 4.0289 8.2170 126.4258 56.3441 32.3801 175.0273 42 P 4.5816 0.0000 0.0000 65.0439 32.5048 176.6061 43 V 4.9888 7.5465 117.1051 61.2941 34.7412 174.3901 44 N 4.6978 9.0507 123.9388 52.8606 43.1786 172.8521 45 T 4.7765 7.9878 121.8987 61.7547 71.3749 173.0408 46 F 4.8800 8.7277 124.7407 55.9136 41.5060 174.8138 47 V 4.3586 8.9922 123.2487 61.0037 33.4595 175.6388 48 H 5.7380 8.4101 126.6860 53.9501 26.4562 173.0162 49 E 4.7873 7.6945 117.5144 53.3353 34.5025 176.4631 50 S 4.3823 8.3638 114.9689 58.2654 64.9012 174.9655 51 L 4.0021 8.4910 123.7248 58.2826 41.7793 179.0144 52 A 4.1315 7.9851 120.2421 55.4627 18.1877 179.2529 53 D 4.3136 7.8272 115.7424 57.2750 41.0182 178.8454 54 V 3.8358 7.7797 118.6209 65.8715 31.5596 178.1373 55 Q 3.9021 8.4613 117.9977 58.8428 28.5829 178.5670 56 A 4.0427 8.3063 121.6740 54.7123 18.3021 179.6165 57 V 3.4833 7.5205 117.2354 66.2215 31.2673 177.0398 58 C 3.8654 7.8239 114.8566 57.9667 39.8568 174.1687 59 S 4.7325 7.6635 114.9562 57.9474 63.8269 174.6866 60 Q 4.4144 7.3793 120.5355 56.3421 31.4381 177.5922 61 K 4.1301 7.9218 131.5122 57.1108 33.0057 175.7007 62 N 4.1453 8.6629 127.5640 53.6391 39.1063 174.2740 63 V 4.5759 8.3723 118.1184 59.3206 36.9490 174.2491 64 A 4.3658 8.3572 123.7703 52.0167 19.2155 178.6289 65 C 4.5672 9.0645 120.1457 55.8287 41.4557 175.0797 66 K 3.8717 7.8737 120.3851 59.7269 31.5149 178.8598 67 N 4.3502 8.0008 114.6885 54.2475 37.3821 175.7895 68 G 3.9890 8.3729 107.2571 45.1181 0.0000 173.5315 69 Q 4.2770 7.7660 119.0997 54.7557 29.9779 175.3787 70 T 4.6581 8.0285 111.4133 60.5977 68.5170 174.6283 *72 C 4.8086 8.3149 123.6013 57.0823 37.5904 172.5887 73 Y 4.9004 8.4559 117.3198 56.4646 41.6099 174.2591 74 Q 4.9494 9.1020 126.4801 54.4866 30.9616 175.0621 75 S 4.1890 8.5611 121.2438 58.6991 63.2399 174.2500 76 Y 4.4700 8.6863 120.5847 60.3837 37.9987 176.2879 77 S 4.9813 7.8386 112.0982 56.0719 65.7307 173.5224 78 T 4.0861 8.1271 111.4519 62.0614 69.5204 173.5320 79 M 4.9636 9.3065 123.7586 53.2505 36.0163 175.0376 80 S 4.8428 8.7922 116.7872 58.5551 63.6699 173.1370 81 I 5.0672 9.0918 120.0370 59.4963 41.8795 174.2460 82 T 5.0611 8.6895 119.1105 61.6896 71.5363 173.4571 83 A 4.5905 8.9277 129.3414 51.8036 20.3089 175.3601 84 C 5.5026 9.2687 118.8320 55.2976 40.4059 173.3629 85 R 5.2874 8.6391 122.8111 53.8254 33.1752 174.8914 86 E 3.9446 9.4211 125.6165 57.1149 30.1851 176.5249 87 T 4.4166 8.3264 116.5447 60.3696 70.5692 176.1669 88 G 3.6937 8.9182 112.2364 47.8969 0.0000 174.2003 89 S 4.4937 7.7414 112.2483 57.8368 64.0684 174.3120 90 S 3.9523 7.8591 116.9833 58.7522 62.4759 173.0980 91 K 4.5435 8.3711 127.8125 54.1744 34.3775 174.4498 92 Y 4.2856 8.7043 127.7037 57.3632 39.2163 173.6235 93 P 3.7018 0.0000 0.0000 62.6827 32.4887 175.9807 94 N 4.6327 7.4683 118.6909 52.2292 37.1967 174.8860 95 C 4.2052 7.9088 115.4144 57.2519 37.8218 173.5656 96 A 5.0833 8.2920 125.4722 50.3584 21.0699 174.9476 97 Y 5.0015 9.1805 119.9529 55.8664 41.5520 175.2594 98 K 4.3758 9.3095 124.7262 56.1976 33.9042 175.4727 99 T 4.8795 8.5927 124.0840 62.5886 70.0414 174.2338 100 T 4.5262 8.5267 123.6890 61.5349 71.2622 173.3284 101 Q 4.6388 8.7226 128.2825 55.9813 30.0774 174.6332 102 A 4.7308 9.3242 126.7300 50.9149 23.8229 174.5659 103 N 5.3497 8.7283 115.5231 51.7434 40.7492 174.3990 104 K 4.7880 8.7908 122.6075 54.3583 37.3795 175.7598 105 H 4.7793 8.7496 119.0293 55.9401 30.0760 174.6206 106 I 4.7358 8.6929 116.0950 59.4788 40.5256 174.7095 107 I 4.8615 7.9982 124.3539 59.8412 40.0288 174.8510 108 V 4.8300 8.3299 120.0679 59.2220 35.2697 174.9525 109 A 4.6846 8.8322 126.1254 51.5686 19.9789 175.9205 110 C 5.0413 8.2731 118.6771 55.3782 39.3740 172.9686 111 E 4.7012 8.5209 119.0389 57.0986 33.3579 175.1803 112 G 3.8133 10.0140 111.0768 44.8850 0.0000 171.9014 113 N 4.9716 8.1825 117.9549 51.6433 39.7128 172.5756 114 P 4.2610 0.0000 0.0000 63.0974 31.7718 175.9896 115 Y 4.7788 8.2875 121.9445 56.5127 38.6442 174.4289 116 V 4.4119 7.9257 119.5045 58.1406 36.5998 173.5004 117 P 4.3458 0.0000 0.0000 62.9970 31.1019 176.8920 118 V 4.4168 8.1760 116.1365 61.0936 33.5164 175.2698 119 H 4.7706 7.6336 120.3859 55.1369 33.3441 171.8988 120 F 4.6919 9.0525 129.0639 57.9729 39.2072 174.4279 121 D 4.5557 8.8985 127.2563 56.4141 41.8440 175.5773 122 A 4.5427 6.6439 117.1843 51.4538 22.7102 174.2652 123 S 5.5171 8.5665 112.0216 55.6837 65.9195 174.6046 124 V 3.9623 8.3917 120.9250 63.1802 31.0143 175.5052 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 K 8.31 4.23 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.57 3.83 0.00 2.05 1.86 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 2.32 2.37 0.00 3 T 8.71 4.20 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 1.23 0.00 0.00 4 A 8.55 4.00 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 5 A 8.02 4.05 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 6 A 8.26 4.17 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 7 K 8.36 4.00 0.00 1.95 2.06 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.44 7.81 8 F 8.36 4.08 0.00 3.18 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 9 E 8.19 4.02 0.00 2.25 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 0.00 2.45 2.63 0.00 10 R 7.83 3.94 0.00 1.82 2.06 0.00 3.37 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 11 Q 7.74 4.00 0.00 1.65 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.47 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 12 H 7.63 4.87 0.00 2.16 2.60 0.00 5.60 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.92 4.65 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 14 D 9.25 4.70 0.00 2.68 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 15 S 8.55 4.66 0.00 3.93 3.91 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 0.00 0.00 0.00 16 S 7.97 4.33 0.00 3.95 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 17 T 7.51 4.67 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 1.24 0.00 0.00 18 S 8.43 4.32 0.00 3.98 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 19 A 6.51 4.06 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.40 3.79 0.44 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 21 S 8.08 4.75 0.00 3.83 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 22 S 7.37 4.59 0.00 3.83 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 23 S 8.80 4.38 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 24 N 8.17 4.79 0.00 2.81 2.88 0.00 0.00 6.50 7.60 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 25 Y 7.97 4.01 0.00 2.98 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 26 C 8.22 4.18 0.00 3.15 3.12 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 0.00 0.00 0.00 27 N 8.34 4.41 0.00 3.02 2.94 0.00 0.00 6.72 7.74 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 28 Q 8.14 3.90 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 29 M 7.86 3.79 0.00 0.89 1.28 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.35 0.00 30 M 8.27 3.98 0.00 1.64 1.82 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.26 0.00 31 K 7.62 3.99 0.00 2.07 1.88 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 S 8.32 4.11 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 33 R 8.01 4.35 0.00 1.98 2.13 0.00 3.63 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 34 N 7.61 4.21 0.00 2.82 2.91 0.00 0.00 6.84 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 35 L 8.08 4.52 0.00 1.77 1.62 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.45 5.36 4.45 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 1.40 0.00 0.00 37 K 8.09 4.19 0.00 1.80 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.43 7.81 38 D 7.79 4.55 0.00 2.58 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 39 R 7.17 3.95 0.00 1.63 1.62 0.00 3.11 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 40 C 8.56 4.55 0.00 3.05 3.12 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 0.00 0.00 0.00 41 K 8.22 4.03 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.43 7.81 42 P 0.00 4.58 0.00 2.15 2.10 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 43 V 7.55 4.99 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 0.81 0.00 0.00 0.97 0.00 0.00 44 N 9.05 4.70 0.00 2.64 2.27 0.00 0.00 6.84 6.75 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 45 T 7.99 4.78 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 1.08 0.00 0.00 46 F 8.73 4.88 0.00 3.09 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 47 V 8.99 4.36 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 1.12 0.00 0.00 0.97 0.00 0.00 48 H 8.41 5.74 0.00 3.14 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.69 4.79 0.00 1.94 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 2.25 2.27 0.00 50 S 8.36 4.38 0.00 4.07 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 51 L 8.49 4.00 0.00 1.82 1.74 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.99 4.13 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 53 D 7.83 4.31 0.00 2.71 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 54 V 7.78 3.84 2.20 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 1.25 0.00 0.00 1.03 0.00 0.00 55 Q 8.46 3.90 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 56 A 8.31 4.04 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 57 V 7.52 3.48 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 0.98 0.00 0.00 1.02 0.00 0.00 58 C 7.82 3.87 0.00 2.85 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 59 S 7.66 4.73 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 60 Q 7.38 4.41 0.00 1.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 61 K 7.92 4.13 0.00 1.85 1.78 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.40 7.81 62 N 8.66 4.15 0.00 2.56 2.56 0.00 0.00 7.00 7.71 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 63 V 8.37 4.58 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 0.73 0.00 0.00 0.85 0.00 0.00 64 A 8.36 4.37 1.23 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 65 C 9.06 4.57 0.00 2.94 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 66 K 7.87 3.87 0.00 1.66 1.87 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.52 7.81 67 N 8.00 4.35 0.00 2.81 2.94 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.37 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 0.00 0.00 0.00 69 Q 7.77 4.28 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.03 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 70 T 8.03 4.66 4.13 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 1.15 0.00 0.00 *72 C 8.31 4.81 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 73 Y 8.46 4.90 0.00 2.84 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 74 Q 9.10 4.95 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 75 S 8.56 4.19 0.00 4.02 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 76 Y 8.69 4.47 0.00 3.05 2.97 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 77 S 7.84 4.98 0.00 4.00 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 78 T 8.13 4.09 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 0.97 0.00 0.00 79 M 9.31 4.96 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 80 S 8.79 4.84 0.00 3.97 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 81 I 9.09 5.07 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 1.02 0.00 0.00 82 T 8.69 5.06 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 1.24 0.00 0.00 83 A 8.93 4.59 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 84 C 9.27 5.50 0.00 2.92 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 85 R 8.64 5.29 0.00 1.75 1.84 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 86 E 9.42 3.94 0.00 2.00 1.78 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 2.00 1.73 0.00 87 T 8.33 4.42 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 1.23 0.00 0.00 88 G 8.92 3.69 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 0.00 0.00 0.00 89 S 7.74 4.49 0.00 3.96 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 90 S 7.86 3.95 0.00 3.82 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 91 K 8.37 4.54 0.00 1.77 1.59 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 92 Y 8.70 4.29 0.00 2.94 2.85 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 93 P 0.00 3.70 0.00 1.75 0.88 0.00 3.61 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 94 N 7.47 4.63 0.00 2.67 2.79 0.00 0.00 6.94 8.88 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 95 C 7.91 4.21 0.00 3.16 2.91 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 0.00 0.00 0.00 96 A 8.29 5.08 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 97 Y 9.18 5.00 0.00 2.98 2.91 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 0.00 0.00 0.00 98 K 9.31 4.38 0.00 1.83 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 99 T 8.59 4.88 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 1.33 0.00 0.00 100 T 8.53 4.53 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 0.00 101 Q 8.72 4.64 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 102 A 9.32 4.73 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 0.00 103 N 8.73 5.35 0.00 2.55 2.75 0.00 0.00 6.66 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 0.00 104 K 8.79 4.79 0.00 1.77 1.69 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 105 H 8.75 4.78 0.00 3.16 3.22 0.00 5.79 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.69 4.74 1.90 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 1.13 0.00 0.00 107 I 8.00 4.86 1.68 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 1.15 0.65 0.81 0.00 0.00 108 V 8.33 4.83 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 0.79 0.00 0.00 0.82 0.00 0.00 109 A 8.83 4.68 1.20 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 0.00 110 C 8.27 5.04 0.00 2.04 1.63 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 0.00 111 E 8.52 4.70 0.00 1.99 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 2.18 2.24 0.00 112 G 10.01 3.81 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 0.00 0.00 0.00 113 N 8.18 4.97 0.00 2.67 2.71 0.00 0.00 6.87 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 0.00 114 P 0.00 4.26 0.00 2.22 2.06 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.29 4.78 0.00 2.81 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 0.00 116 V 7.93 4.41 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 0.69 0.00 0.00 0.85 0.00 0.00 117 P 0.00 4.35 0.00 0.49 1.14 0.00 3.35 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 118 V 8.18 4.42 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 0.61 0.00 0.00 1.01 0.00 0.00 119 H 7.63 4.77 0.00 3.17 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 9.05 4.69 0.00 2.60 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 0.00 121 D 8.90 4.56 0.00 2.60 2.64 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 0.00 122 A 6.64 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.57 5.52 0.00 3.94 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 0.00 124 V 8.39 3.96 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 0.78 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.