NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4478 8.2644 122.4713 51.5956 20.3975 175.8281 3 L 4.0127 8.6527 123.4312 54.5997 43.2406 174.0513 4 T 4.6573 8.6134 123.8202 62.4518 69.9393 175.1352 5 V 3.8919 8.6709 128.6033 62.5201 29.7854 175.5309 6 K 4.3220 8.4473 125.3017 56.9906 33.2541 176.5186 7 D 4.6282 7.4181 117.4927 51.2412 43.2025 176.1391 8 V 3.6321 8.2758 118.5285 65.7600 31.4446 177.2068 9 N 4.2710 8.1937 116.5697 56.9713 38.8082 176.7920 10 I 3.7876 8.2702 121.1290 64.1089 37.0603 178.2739 11 L 4.0226 7.9408 121.3667 58.3134 41.8639 179.2816 12 S 4.1367 8.3123 115.1968 61.6863 62.7842 176.6483 13 Q 3.9964 8.0906 120.7093 59.0419 28.3661 178.3580 14 Y 4.0590 8.4555 120.8772 60.7967 38.8254 177.9527 15 I 3.5000 8.0424 120.8731 64.4794 37.0954 178.5751 16 S 4.1401 8.4337 116.4412 61.4149 62.6281 177.0542 17 G 3.4468 7.9238 108.3948 47.6200 0.0000 175.8267 18 V 3.3696 7.4290 121.0382 66.0216 31.5273 178.0866 19 M 3.9224 8.1294 118.2942 58.1829 31.5920 178.6257 20 A 3.8356 8.1469 121.2360 55.2026 18.5224 179.9798 21 R 3.8934 8.0071 116.3638 59.1778 30.1125 179.1591 22 A 3.7921 8.0635 120.8499 54.9694 18.1261 179.1235 23 D 4.1680 7.7537 115.5452 57.8187 41.3505 178.0269 24 H 4.3949 7.5146 115.3070 58.4634 28.9190 176.0519 25 H 4.9006 8.2595 113.0506 55.1758 31.3129 173.6711 26 A 4.6885 7.8370 122.1670 50.4885 18.4900 177.1843 27 G 3.6259 7.8833 112.0510 47.5471 0.0000 173.0306 28 N 4.6914 8.1697 116.7871 54.4817 39.4353 175.6568 29 V 4.7313 7.6786 108.5798 60.9825 33.5127 176.9573 30 E 3.9076 7.9516 121.6236 59.1319 29.2492 178.3888 31 E 4.1093 8.3488 118.6824 59.2770 29.7908 178.9537 32 I 3.6929 7.9959 117.5950 63.5041 37.9560 177.4871 33 A 3.9603 7.8357 121.8156 55.1367 18.1605 179.5424 34 L 3.8227 7.6034 116.8211 57.8889 41.6411 179.6769 35 A 3.9030 7.7885 120.2218 54.9913 18.3018 179.4922 36 L 3.4467 8.2288 117.7734 57.4815 41.5782 179.4989 37 A 3.9320 8.1192 121.0848 55.1505 18.2885 179.7772 38 G 3.5182 7.9071 103.9021 48.0294 0.0000 175.7001 39 A 4.0363 7.7449 123.2766 54.8215 18.0948 179.8668 40 I 3.7563 7.5873 118.5509 64.4396 36.9099 178.7060 41 L 4.0771 7.7225 119.1441 57.1121 41.4893 178.8557 42 W 4.5549 8.2393 127.9892 60.3700 30.8205 177.4837 43 R 4.1917 7.5247 113.6719 54.7845 30.6275 176.9231 44 K 4.3500 7.2267 118.5777 56.6373 33.2322 177.2950 45 D 4.7136 8.6560 121.5741 54.0696 41.8700 176.0063 46 D 4.5292 8.5224 118.3638 57.1642 41.1159 177.5090 47 T 3.9927 7.7658 115.7297 63.4359 68.9751 173.7749 48 N 4.5675 8.4819 122.6073 53.1314 39.4707 175.0433 49 I 4.2438 8.1395 122.0880 61.3858 38.8015 174.8703 50 K 5.0419 8.8935 125.9438 54.6508 35.9154 174.7734 51 V 4.9596 8.8936 127.0048 61.5071 33.8951 174.2755 52 M 5.3629 9.3544 126.5870 53.6897 36.0527 174.5559 53 A 4.8327 8.2542 121.3921 50.5869 22.5417 175.9395 *59 K 4.1856 8.2872 118.2315 56.1202 33.3282 176.1786 60 N 4.8539 8.6460 119.4641 53.3046 39.4247 174.5524 61 V 4.5417 8.6555 120.6595 61.0590 34.8325 173.8549 62 L 4.9909 8.9725 130.4611 53.6641 43.9286 174.8341 63 W 5.6348 9.4865 127.0752 55.1431 31.5937 175.5609 64 V 4.9537 9.1298 122.7939 60.4909 35.1367 174.0267 65 T 5.2569 8.6757 118.6073 62.0983 71.0984 173.5605 66 I 4.7575 8.9920 126.9257 60.9179 40.4696 175.3293 67 N 4.1774 10.1511 123.6906 54.7368 37.2625 174.3517 68 G 3.9703 8.2698 100.1213 45.7004 0.0000 173.5178 69 E 4.5966 8.2539 118.0702 54.1164 33.3680 174.8014 70 R 4.9112 8.1570 121.3587 55.5973 32.2327 174.8833 71 Y 5.1693 9.4349 120.7620 56.0913 41.7618 174.1783 72 A 4.4641 8.6177 125.8344 49.8949 21.4764 175.2623 73 F 5.7847 9.2370 121.8629 55.0171 41.9579 174.9822 74 S 4.9834 8.4730 115.9585 57.4433 66.6085 172.2847 75 Y 4.9081 8.6813 122.4716 56.7900 40.6957 173.5674 76 N 4.5189 7.9271 125.5489 51.9594 40.0022 174.9227 77 H 4.1746 8.7299 124.7282 58.7830 29.3064 177.3538 78 S 4.2281 8.3416 113.9682 60.7590 62.2243 174.9344 79 S 4.4032 8.1350 111.7340 57.5709 63.9533 173.2480 80 E 4.1866 7.7051 119.5056 56.8552 27.3893 174.1955 81 K 4.9414 7.1653 115.6224 54.5885 36.8363 176.5562 82 I 4.7288 8.7856 124.1582 60.9124 38.6672 174.7255 83 E 4.8961 9.4609 127.1856 54.8512 32.1409 174.5823 84 M 4.6880 8.7773 123.2973 53.7229 34.8298 174.5714 85 R 4.8434 8.6693 124.8561 54.1190 34.2889 174.6081 86 K 3.9322 8.5563 123.3482 58.1586 33.1009 174.4492 87 G 4.2214 9.5938 123.5813 43.6703 0.0000 172.4825 88 N 5.3235 8.2015 113.0911 49.9835 40.5878 176.0596 89 I 3.6882 8.9583 121.0468 63.3649 38.8055 176.1544 90 Q 4.3965 7.4156 121.1682 53.7968 27.2691 173.4533 91 G 4.0266 6.9458 105.4307 45.1120 0.0000 171.3131 92 N 4.5790 8.4904 116.6553 52.6699 39.2294 175.6242 93 T 4.1432 8.1754 111.5340 61.8341 69.5977 174.1603 94 I 4.1741 8.2444 116.9105 62.2613 39.2526 175.3520 95 H 4.8201 7.6851 117.8847 54.1364 33.3610 172.1882 96 E 4.9104 8.2669 119.3873 54.5457 32.8396 175.2407 97 F 5.2471 9.2582 122.3595 56.1993 42.9985 174.6007 98 D 5.1029 8.9138 120.1459 52.8267 41.7597 175.3318 99 N 4.4472 8.6700 115.9190 56.2948 38.4650 176.3979 100 S 4.4126 8.1208 112.9696 59.6204 63.3917 174.5908 101 T 4.0703 7.9058 118.6375 62.6444 68.6138 173.1647 102 P 4.4351 0.0000 0.0000 62.3200 33.1380 177.5587 103 L 4.0796 8.6345 122.1092 57.7750 41.5801 179.8713 104 S 4.1497 8.1078 114.0050 61.5043 62.7405 176.4783 105 K 4.0491 7.9420 122.7768 58.8684 32.0733 178.4377 106 L 4.1745 8.0003 120.8314 58.1987 41.9735 179.1188 107 V 3.8778 8.2711 118.6051 66.0298 31.2196 177.4725 108 E 4.0174 8.3503 119.0281 59.4104 29.2621 178.8064 109 I 3.7086 7.8527 118.4872 64.6968 37.4297 178.3208 110 F 3.8771 8.5386 118.3930 60.0312 38.4539 177.7872 111 K 3.8707 8.5225 119.4232 58.8806 32.1197 178.2508 112 G 3.8660 7.5215 103.2570 45.0811 0.0000 173.6310 113 L 4.1119 7.2786 126.0367 55.0130 41.5580 176.7865 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 4.45 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 3 L 8.65 4.01 0.00 1.82 1.57 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.61 4.66 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 5 V 8.67 3.89 2.02 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 0.71 0.00 0.00 0.72 0.00 0.00 6 K 8.45 4.32 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.57 7.81 7 D 7.42 4.63 0.00 2.91 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 8 V 8.28 3.63 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 1.03 0.00 0.00 0.94 0.00 0.00 9 N 8.19 4.27 0.00 2.88 2.99 0.00 0.00 7.24 7.80 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 10 I 8.27 3.79 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.94 0.00 0.00 11 L 7.94 4.02 0.00 1.79 1.87 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.31 4.14 0.00 4.06 3.90 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 13 Q 8.09 4.00 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 14 Y 8.46 4.06 0.00 3.06 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 15 I 8.04 3.50 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.85 0.00 0.00 16 S 8.43 4.14 0.00 3.98 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 17 G 7.92 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 18 V 7.43 3.37 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 0.95 0.00 0.00 0.27 0.00 0.00 19 M 8.13 3.92 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 20 A 8.15 3.84 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 21 R 8.01 3.89 0.00 1.94 1.91 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 22 A 8.06 3.79 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 23 D 7.75 4.17 0.00 2.74 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 24 H 7.51 4.39 0.00 2.76 2.80 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.26 4.90 0.00 3.11 3.32 0.00 5.60 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.84 4.69 0.66 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 0.00 0.00 27 G 7.88 3.63 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 0.00 0.00 0.00 28 N 8.17 4.69 0.00 2.82 2.89 0.00 0.00 6.99 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 29 V 7.68 4.73 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 1.09 0.00 0.00 0.89 0.00 0.00 30 E 7.95 3.91 0.00 1.91 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 2.27 2.28 0.00 31 E 8.35 4.11 0.00 2.19 1.95 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 2.30 2.29 0.00 32 I 8.00 3.69 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.07 1.02 0.00 0.00 33 A 7.84 3.96 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 34 L 7.60 3.82 0.00 1.64 1.66 0.87 0.68 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 35 A 7.79 3.90 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 36 L 8.23 3.45 0.00 1.70 1.43 0.88 0.22 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 37 A 8.12 3.93 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 38 G 7.91 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 39 A 7.74 4.04 0.14 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 40 I 7.59 3.76 1.75 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.10 0.89 0.00 0.00 41 L 7.72 4.08 0.00 1.78 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.24 4.55 0.00 3.23 3.30 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 0.00 43 R 7.52 4.19 0.00 1.82 1.77 0.00 2.21 0.00 0.00 2.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.38 0.00 44 K 7.23 4.35 0.00 1.90 2.01 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.66 1.45 7.81 45 D 8.66 4.71 0.00 2.74 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 46 D 8.52 4.53 0.00 2.68 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 47 T 7.77 3.99 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 48 N 8.48 4.57 0.00 2.72 2.76 0.00 0.00 7.04 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 49 I 8.14 4.24 1.83 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 1.27 0.74 0.86 0.00 0.00 50 K 8.89 5.04 0.00 1.86 1.71 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.50 7.81 51 V 8.89 4.96 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 1.19 0.00 0.00 0.49 0.00 0.00 52 M 9.35 5.36 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 53 A 8.25 4.83 1.30 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 0.00 0.00 0.00 *59 K 8.29 4.19 0.00 1.84 1.87 0.00 1.91 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.52 7.81 60 N 8.65 4.85 0.00 2.81 2.86 0.00 0.00 6.68 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 61 V 8.66 4.54 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 0.35 0.00 0.00 0.93 0.00 0.00 62 L 8.97 4.99 0.00 1.85 1.66 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.49 5.63 0.00 3.31 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 64 V 9.13 4.95 2.26 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 1.34 0.00 0.00 1.07 0.00 0.00 65 T 8.68 5.26 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 1.38 0.00 0.00 66 I 8.99 4.76 2.05 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 1.41 0.94 0.93 0.00 0.00 67 N 10.15 4.18 0.00 2.73 2.94 0.00 0.00 7.22 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 68 G 8.27 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 0.00 0.00 0.00 69 E 8.25 4.60 0.00 2.09 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 2.21 2.40 0.00 70 R 8.16 4.91 0.00 1.78 2.05 0.00 3.06 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 71 Y 9.43 5.17 0.00 3.00 2.60 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 0.00 0.00 0.00 0.00 72 A 8.62 4.46 -0.02 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 0.00 0.00 73 F 9.24 5.78 0.00 2.94 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 0.00 74 S 8.47 4.98 0.00 3.95 3.89 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 75 Y 8.68 4.91 0.00 3.12 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 76 N 7.93 4.52 0.00 2.59 2.38 0.00 0.00 7.00 7.97 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 77 H 8.73 4.17 0.00 3.22 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.34 4.23 0.00 3.82 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 79 S 8.13 4.40 0.00 3.96 3.90 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 80 E 7.71 4.19 0.00 2.18 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 0.00 2.49 2.25 0.00 81 K 7.17 4.94 0.00 1.56 1.66 0.00 1.67 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.45 7.81 82 I 8.79 4.73 2.19 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 1.48 0.95 1.26 0.00 0.00 83 E 9.46 4.90 0.00 1.92 1.77 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 2.18 2.17 0.00 84 M 8.78 4.69 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.31 0.00 85 R 8.67 4.84 0.00 1.54 1.67 0.00 3.03 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.40 0.00 86 K 8.56 3.93 0.00 1.79 1.65 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 0.83 7.81 87 G 9.59 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 88 N 8.20 5.32 0.00 2.91 2.93 0.00 0.00 5.59 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 89 I 8.96 3.69 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 1.09 0.00 0.00 90 Q 7.42 4.40 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 91 G 6.95 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.49 4.58 0.00 2.69 2.71 0.00 0.00 6.83 7.54 0.00 0.00 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 T 8.18 4.14 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 1.13 0.00 0.00 94 I 8.24 4.17 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.85 0.00 0.00 95 H 7.69 4.82 0.00 2.70 2.47 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.27 4.91 0.00 1.67 1.72 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 2.08 2.17 0.00 97 F 9.26 5.25 0.00 3.03 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 98 D 8.91 5.10 0.00 3.28 2.86 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 99 N 8.67 4.45 0.00 2.76 3.06 0.00 0.00 7.00 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 0.00 100 S 8.12 4.41 0.00 4.08 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 0.00 101 T 7.91 4.07 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 102 P 0.00 4.44 0.00 2.20 2.00 0.00 3.67 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 2.15 2.21 0.00 103 L 8.63 4.08 0.00 1.68 1.71 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.11 4.15 0.00 4.07 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 0.00 105 K 7.94 4.05 0.00 1.96 2.11 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.66 7.81 106 L 8.00 4.17 0.00 1.89 1.85 0.58 0.78 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 0.00 107 V 8.27 3.88 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 1.16 0.00 0.00 1.00 0.00 0.00 108 E 8.35 4.02 0.00 2.25 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 0.00 2.36 2.41 0.00 109 I 7.85 3.71 2.16 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 1.32 0.78 0.61 0.00 0.00 110 F 8.54 3.88 0.00 3.34 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 0.00 111 K 8.52 3.87 0.00 2.20 2.08 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.56 1.72 7.81 112 G 7.52 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 0.00 113 L 7.28 4.11 0.00 1.38 1.43 0.04 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.