NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *9 Q 4.2683 8.3444 119.1421 54.8769 29.3436 175.1523 10 F 4.1578 8.7189 127.2450 55.6544 37.9233 173.3852 11 I 3.9279 7.2783 126.9103 60.6346 36.4571 175.6475 12 V 3.3521 7.8424 125.4849 64.5919 31.2946 178.0546 13 D 4.3156 7.9585 119.0748 56.9233 40.1294 178.0656 14 D 4.1485 7.8473 118.4667 56.9627 41.2657 178.0551 15 V 4.0901 7.6347 118.9589 62.5755 31.7274 177.8710 16 S 4.1750 7.9621 115.0724 61.6556 62.4441 175.8965 17 K 3.8943 7.4956 120.7057 59.8969 31.9217 179.1893 18 T 3.8396 7.4990 114.8063 66.9242 68.2484 176.5606 19 I 3.8129 7.5823 121.1189 64.0640 37.0879 178.2244 20 K 4.0415 7.9226 116.7865 58.1456 32.2359 177.9212 21 E 4.2886 7.9091 118.0660 56.7856 29.4809 176.8435 22 A 4.5029 7.6569 121.3916 51.4785 18.0430 177.7345 23 I 3.9972 7.1420 119.0006 62.6904 39.8958 176.8174 24 E 4.3222 8.0177 117.2129 56.7496 29.3344 176.6486 25 T 4.0845 7.3469 116.5085 64.7346 69.6508 178.2634 26 T 4.4859 7.8381 120.6530 61.7252 71.5034 177.5409 27 I 3.9634 8.0386 116.2174 61.6158 36.9102 178.4396 28 G 3.6525 7.6782 111.0050 44.6665 0.0000 175.7183 29 G 4.1859 8.5206 104.3875 46.3048 0.0000 174.7906 30 N 4.7914 7.7100 119.8382 52.6622 38.0393 173.1821 31 A 4.7114 8.1112 127.4952 52.0190 22.7122 173.9678 32 Y 4.8794 8.1747 119.5473 56.4092 40.4875 174.3141 33 Q 4.3308 7.7806 124.5502 55.4340 31.6394 173.4216 34 H 4.1046 8.5534 122.0060 59.0361 30.0524 176.6022 35 D 4.2137 7.7732 115.9488 54.0490 39.6932 176.4294 36 K 4.3814 7.1525 116.6396 55.9744 33.8233 177.8589 37 V 2.0000 6.9327 120.6516 65.1478 31.3039 177.1048 38 N 4.7428 7.1987 113.6692 53.7292 38.8211 176.4807 39 N 4.4390 7.3684 119.0797 56.1667 38.7315 176.8925 40 W 4.4013 7.4468 120.6158 59.8102 29.0855 178.2188 41 T 4.0950 8.1911 109.1728 65.5257 67.9680 175.8865 42 G 3.7211 8.1629 108.6231 47.2788 0.0000 175.3109 43 Q 4.0933 7.7397 119.4808 58.5373 28.8098 178.6351 44 V 3.6020 8.1200 119.6221 66.1350 31.3027 178.3357 45 V 3.6796 7.4535 117.1240 65.6503 31.6886 177.5009 46 E 4.0848 7.9665 118.9934 59.3741 29.7037 178.6178 47 N 4.4016 8.1636 117.1372 56.0661 37.2635 176.8049 48 C 4.2221 7.5312 117.0540 61.7097 28.3022 175.2447 49 L 4.0758 7.7103 122.7413 57.9504 41.7335 178.7735 50 T 4.0201 7.4648 110.2164 63.6230 68.3446 175.8213 51 V 4.4322 7.3093 112.9788 61.0163 31.6154 176.2419 52 L 4.8219 7.4730 118.8444 54.1859 43.2507 177.6493 53 T 4.3091 7.6641 108.3026 63.0601 69.7790 176.7331 54 K 3.8962 8.1373 123.1819 59.5098 32.1152 177.4343 55 E 3.9187 8.5007 115.5038 58.7787 29.6330 178.2981 56 Q 3.0808 7.2680 114.5874 57.1609 26.4748 173.7804 57 K 4.6088 7.7407 126.4949 53.7657 35.3696 175.7825 58 P 4.6821 0.0000 0.0000 63.4414 30.7949 175.4492 59 Y 5.4025 7.7429 115.9974 56.7558 39.7157 175.5103 60 K 4.6223 8.3581 120.9102 55.5000 35.2724 175.0751 61 Y 5.4168 8.3629 118.2099 56.8320 41.0146 174.8328 62 I 4.8385 9.0731 125.6698 59.7005 40.3116 175.5323 63 V 5.0774 8.3575 125.0969 60.9662 33.8797 173.7088 64 T 4.9387 9.2905 115.6037 59.8504 72.2791 172.9265 65 A 5.1463 8.4288 123.6835 51.1744 22.2041 175.4331 66 M 4.9988 9.3409 121.7221 53.6866 36.4585 174.8848 67 I 4.8718 8.3453 121.8093 60.1163 41.4278 174.8236 68 M 4.5588 8.7315 123.2945 54.5229 32.9261 173.9322 69 Q 2.6846 7.3441 123.9154 50.9824 30.7486 178.0443 70 K 4.2132 8.1986 127.6933 55.4888 29.3501 175.7549 71 N 4.4615 7.9835 120.5084 54.3440 40.2107 175.4665 72 G 4.1895 8.2827 106.1335 45.5058 0.0000 172.9737 73 A 4.6610 7.8944 121.4089 50.0048 20.8991 177.9678 74 G 3.9445 8.3007 109.1145 44.7993 0.0000 173.3353 75 L 4.6330 7.7073 122.3896 53.3455 45.1326 175.3862 76 H 4.8680 8.5223 121.8465 54.7052 32.7227 172.5573 77 T 4.7497 8.2905 112.3503 59.9666 71.9945 172.7594 78 A 4.6730 8.1243 122.9098 51.1785 22.1137 176.2442 79 S 4.7171 8.2951 116.9213 57.6930 62.9607 174.5774 80 S 4.3661 8.0904 116.3675 57.9219 63.1507 173.8145 81 C 4.5090 7.9980 118.9397 56.9153 32.4250 173.4473 82 Y 4.3198 7.7548 121.3653 56.7630 39.1932 173.1409 83 W 4.8196 7.7680 123.6605 55.5614 30.7530 173.6987 84 N 4.4884 9.5014 117.0506 53.2929 37.0358 175.8816 85 N 4.6865 8.3848 125.0399 52.6877 38.7524 175.6308 86 D 4.7342 7.6756 116.4186 54.2713 45.8572 175.9436 87 T 4.2716 7.6196 108.1170 62.9563 69.8542 174.8652 88 D 4.2690 7.5189 121.5312 53.8867 42.3047 175.9661 89 G 3.0468 6.9127 105.3657 44.9383 0.0000 172.2785 90 S 5.1501 8.6854 117.3421 56.3064 65.8235 172.7547 91 C 4.8101 8.7116 124.5219 58.1752 34.5929 172.6947 92 T 5.1842 8.6453 122.1457 61.9336 71.4659 173.7375 93 V 4.6896 8.9889 117.7425 59.7199 36.4753 174.5650 94 R 5.1913 8.6205 120.7269 54.3744 33.3960 175.0174 95 W 5.3571 9.3235 132.6073 55.9366 34.4368 173.3140 96 E 4.6808 7.8837 123.6634 54.0520 32.1316 175.5199 97 N 4.5728 7.6011 118.2315 53.0143 37.3910 175.9835 98 K 4.1813 8.4304 114.8223 56.9012 33.3970 176.8783 99 T 4.3432 7.5375 115.4063 65.0800 70.8119 174.6053 100 M 4.8274 7.5223 119.0828 54.0972 35.9786 173.7327 101 Y 4.7116 8.4486 123.8169 58.0451 39.5905 173.9962 102 C 5.4313 9.2359 123.8675 57.7855 35.7273 172.9216 103 I 5.0153 8.3940 118.3965 60.0109 40.6385 173.7454 104 V 5.0923 8.8851 126.7296 61.1170 35.2295 174.1595 105 S 5.2213 9.1802 120.1591 57.0285 67.0287 172.8791 106 V 5.0939 8.8759 120.3205 61.4506 35.5839 173.8667 107 F 5.2711 10.5978 125.3485 55.7834 42.1713 174.2112 108 G 4.5908 8.6856 111.4418 44.4589 0.0000 172.4883 109 L 5.3543 8.2522 121.1084 51.8592 46.9778 175.0692 110 A 4.2109 8.6401 121.8823 51.8528 20.4337 178.1715 111 V 3.4764 7.8937 116.9389 63.5784 32.6080 173.6285 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 *9 Q 8.34 4.27 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.27 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 10 F 8.72 4.16 0.00 2.96 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 11 I 7.28 3.93 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.47 0.84 0.00 0.00 12 V 7.84 3.35 2.25 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 0.90 0.00 0.00 1.10 0.00 0.00 13 D 7.96 4.32 0.00 2.71 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 14 D 7.85 4.15 0.00 2.64 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 V 7.63 4.09 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 0.96 0.00 0.00 0.81 0.00 0.00 16 S 7.96 4.18 0.00 4.01 4.05 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 17 K 7.50 3.89 0.00 1.76 1.82 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 18 T 7.50 3.84 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 1.14 0.00 0.00 19 I 7.58 3.81 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.99 0.92 0.00 0.00 20 K 7.92 4.04 0.00 1.80 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.72 7.81 21 E 7.91 4.29 0.00 2.21 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 2.39 0.00 22 A 7.66 4.50 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 23 I 7.14 4.00 1.34 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 0.57 0.00 0.00 24 E 8.02 4.32 0.00 1.92 1.88 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 2.23 2.21 0.00 25 T 7.35 4.08 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 1.18 0.00 0.00 26 T 7.84 4.49 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 1.26 0.00 0.00 27 I 8.04 3.96 1.40 0.00 0.00 -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 0.21 0.00 0.80 0.00 0.00 28 G 7.68 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 0.00 0.00 0.00 29 G 8.52 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 0.00 0.00 0.00 30 N 7.71 4.79 0.00 2.52 2.52 0.00 0.00 6.73 7.35 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 31 A 8.11 4.71 1.22 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 32 Y 8.17 4.88 0.00 3.07 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 33 Q 7.78 4.33 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 34 H 8.55 4.10 0.00 3.24 3.25 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.77 4.21 0.00 2.70 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 36 K 7.15 4.38 0.00 1.95 1.86 0.00 1.94 0.00 0.00 1.77 0.00 0.00 3.29 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.47 1.81 7.81 37 V 6.93 2.00 1.60 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 0.91 0.00 0.00 0.21 0.00 0.00 38 N 7.20 4.74 0.00 2.55 2.73 0.00 0.00 7.32 8.00 0.00 0.00 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 N 7.37 4.44 0.00 2.74 2.91 0.00 0.00 7.12 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 40 W 7.45 4.40 0.00 3.54 3.08 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 0.00 0.00 0.00 41 T 8.19 4.10 4.29 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 1.33 0.00 0.00 42 G 8.16 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 43 Q 7.74 4.09 0.00 2.67 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 44 V 8.12 3.60 2.30 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 1.02 0.00 0.00 1.00 0.00 0.00 45 V 7.45 3.68 2.25 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 0.94 0.00 0.00 1.06 0.00 0.00 46 E 7.97 4.08 0.00 2.23 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 2.32 2.47 0.00 47 N 8.16 4.40 0.00 2.96 3.05 0.00 0.00 7.10 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 48 C 7.53 4.22 0.00 3.28 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 49 L 7.71 4.08 0.00 2.04 1.66 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.46 4.02 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 1.24 0.00 0.00 51 V 7.31 4.43 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 0.70 0.00 0.00 0.95 0.00 0.00 52 L 7.47 4.82 0.00 0.72 1.04 0.65 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.66 4.31 4.29 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 1.33 0.00 0.00 54 K 8.14 3.90 0.00 1.93 1.88 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.42 7.81 55 E 8.50 3.92 0.00 2.22 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 2.31 2.28 0.00 56 Q 7.27 3.08 0.00 2.15 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 57 K 7.74 4.61 0.00 2.13 2.05 0.00 1.81 0.00 0.00 2.26 0.00 0.00 3.31 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.88 7.81 58 P 0.00 4.68 0.00 1.95 2.04 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.76 0.00 59 Y 7.74 5.40 0.00 2.66 2.19 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 60 K 8.36 4.62 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.47 7.81 61 Y 8.36 5.42 0.00 2.90 2.89 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 0.00 0.00 0.00 62 I 9.07 4.84 1.99 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 1.00 0.00 0.00 63 V 8.36 5.08 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 0.78 0.00 0.00 1.00 0.00 0.00 64 T 9.29 4.94 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 1.28 0.00 0.00 65 A 8.43 5.15 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 66 M 9.34 5.00 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.69 0.00 67 I 8.35 4.87 2.06 0.00 0.00 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 1.67 0.73 1.20 0.00 0.00 68 M 8.73 4.56 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 69 Q 7.34 2.68 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.52 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 70 K 8.20 4.21 0.00 1.75 1.59 0.00 1.37 0.00 0.00 1.21 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.05 1.02 7.81 71 N 7.98 4.46 0.00 2.64 2.82 0.00 0.00 7.50 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.28 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 0.00 0.00 0.00 73 A 7.89 4.66 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 74 G 8.30 3.94 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 0.00 0.00 0.00 75 L 7.71 4.63 0.00 1.48 1.34 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.52 4.87 0.00 3.12 3.12 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.29 4.75 4.27 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 1.22 0.00 0.00 78 A 8.12 4.67 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 79 S 8.30 4.72 0.00 3.87 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 80 S 8.09 4.37 0.00 3.85 3.73 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 81 C 8.00 4.51 0.00 2.49 2.45 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 82 Y 7.75 4.32 0.00 2.79 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 83 W 7.77 4.82 0.00 3.62 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 84 N 9.50 4.49 0.00 2.95 2.90 0.00 0.00 7.48 6.78 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 85 N 8.38 4.69 0.00 2.72 2.86 0.00 0.00 6.95 8.06 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 86 D 7.68 4.73 0.00 2.68 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 87 T 7.62 4.27 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 1.15 0.00 0.00 88 D 7.52 4.27 0.00 1.58 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 0.00 0.00 0.00 89 G 6.91 3.05 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 0.00 0.00 0.00 90 S 8.69 5.15 0.00 3.48 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 91 C 8.71 4.81 0.00 3.13 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 92 T 8.65 5.18 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 1.33 0.00 0.00 93 V 8.99 4.69 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 0.81 0.00 0.00 1.02 0.00 0.00 94 R 8.62 5.19 0.00 1.69 1.85 0.00 3.15 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 95 W 9.32 5.36 0.00 3.39 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 96 E 7.88 4.68 0.00 1.63 1.92 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 1.83 2.02 0.00 97 N 7.60 4.57 0.00 2.68 2.36 0.00 0.00 6.87 7.03 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 98 K 8.43 4.18 0.00 1.66 1.80 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.39 7.81 99 T 7.54 4.34 4.27 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 1.37 0.00 0.00 100 M 7.52 4.83 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.27 0.00 101 Y 8.45 4.71 0.00 2.94 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 0.00 102 C 9.24 5.43 0.00 3.31 3.38 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 0.00 103 I 8.39 5.02 1.93 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 1.18 0.57 0.94 0.00 0.00 104 V 8.89 5.09 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 1.20 0.00 0.00 1.00 0.00 0.00 105 S 9.18 5.22 0.00 3.83 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 0.00 106 V 8.88 5.09 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 1.28 0.00 0.00 0.99 0.00 0.00 107 F 10.60 5.27 0.00 3.04 3.08 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 0.00 0.00 0.00 108 G 8.69 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 0.00 0.00 0.00 0.00 109 L 8.25 5.35 0.00 1.65 1.63 1.12 1.10 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 0.00 110 A 8.64 4.21 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 0.00 111 V 7.89 3.48 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 0.73 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.