NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1981 8.1727 122.0595 56.3453 34.0506 174.0269 2 V 4.6025 8.3412 127.8730 61.0630 31.8144 174.6270 3 F 4.4275 9.5016 128.1232 57.3179 40.1342 175.5965 4 G 3.8944 9.1333 109.1415 45.7482 0.0000 174.9519 5 R 3.2845 8.7530 120.1544 59.6434 30.0951 179.6700 6 C 4.3705 8.0971 115.5722 59.5700 34.4291 175.5260 7 E 3.8964 8.0966 120.7979 59.2988 29.2251 178.5416 8 L 3.6181 8.2291 120.4594 57.7449 42.0001 178.6262 9 A 3.8935 7.9552 120.6159 55.2119 18.2494 179.5338 10 A 3.9080 8.2969 119.1784 55.0077 18.3813 179.8316 11 A 3.8971 7.8453 119.0421 55.6018 18.4769 179.7337 12 M 3.8219 8.1261 117.5612 58.3467 31.9295 178.9989 13 K 3.8769 8.1723 119.8499 59.4603 32.1747 178.8661 14 R 3.8509 7.9925 118.2368 59.4196 29.9926 177.2267 15 H 4.6449 7.8554 113.5085 55.2967 28.7204 175.5451 16 G 3.8334 7.9316 108.6941 46.4784 0.0000 175.2303 17 L 3.7072 7.7583 121.8041 55.7486 41.9937 176.5278 18 D 4.5674 7.9004 118.1468 55.5494 41.2977 175.1471 19 N 4.5037 9.4883 123.2369 54.0991 36.8197 173.2204 20 Y 4.3249 8.3904 121.1862 58.5724 39.0200 175.9573 21 R 3.7624 8.9866 125.1514 57.2728 27.7466 177.1383 22 G 3.7437 8.2689 104.0874 45.7757 0.0000 173.5306 23 Y 4.4257 8.0714 118.9318 55.9266 38.8193 175.8957 24 S 4.8411 8.5674 119.7188 57.7274 64.2410 174.7193 25 L 4.2889 8.9836 123.4371 58.7507 41.5308 179.7186 26 G 3.8533 8.2930 104.9557 47.8379 0.0000 175.1660 27 N 4.5057 8.3148 118.6775 56.1996 38.5495 177.5556 28 W 3.8963 7.9770 119.7694 59.5068 29.1203 178.7184 29 V 3.5504 8.0788 118.3657 65.9837 30.9910 177.2294 30 C 2.5862 8.1833 118.2503 59.0595 42.4075 175.3508 31 A 3.9024 7.9826 122.1053 55.2151 17.8695 179.4777 32 A 4.0937 7.9285 120.6043 54.4044 18.4174 179.6945 33 K 2.5639 7.7896 118.3930 59.3079 31.8861 178.7952 34 F 4.5965 7.1316 115.2881 59.2331 39.0562 177.4801 35 E 4.3559 8.2810 118.7583 58.2323 29.8294 177.3486 36 S 4.5467 7.9064 109.5763 56.5569 64.4404 173.5012 37 N 3.9538 8.6328 118.1383 54.7968 37.6671 173.9397 38 F 4.0453 7.9692 110.5023 57.9237 36.7432 173.8600 39 N 5.2636 7.9393 120.8567 52.0279 39.2086 175.9449 40 T 4.0369 9.1545 117.9464 64.5084 68.9832 175.6506 41 Q 4.3269 8.4125 119.0901 55.6812 29.1255 175.5906 42 A 4.3328 7.9499 122.1930 52.3845 19.3918 177.0980 43 T 4.9274 8.3634 111.5314 60.0193 72.2290 173.2363 44 N 4.9228 8.6637 121.1768 51.6085 43.0518 173.7390 45 R 4.4354 8.6572 124.6674 56.3676 31.1603 175.5290 46 N 4.9612 9.0912 123.9176 52.0271 40.3406 176.5198 47 T 3.8887 8.5737 111.0920 64.6820 68.9307 174.8862 48 D 4.4708 8.0237 119.0737 53.5183 39.6795 177.0386 49 G 3.8859 8.1427 109.2480 45.2165 0.0000 173.7994 50 S 4.6198 8.3855 115.4684 58.0826 65.3236 173.0581 51 T 5.0235 8.9438 115.5013 61.9075 72.7633 172.9715 52 D 5.4675 8.8823 124.4760 53.1213 43.3637 175.1637 53 Y 4.9812 9.0740 120.3519 57.5213 42.0489 177.1006 54 G 4.4344 9.0450 111.2665 45.5340 0.0000 173.3720 55 I 3.9449 8.3179 116.3769 62.8064 37.9806 177.8533 56 L 4.6450 7.8776 117.4025 53.6842 42.5719 176.6286 57 Q 3.4912 7.9740 115.5867 57.1310 26.6138 174.2796 58 I 4.2099 8.2085 119.4880 61.1112 39.1635 176.6983 59 N 5.5557 9.0771 125.6754 53.0023 40.1746 175.5783 60 S 4.6955 9.0211 119.4847 59.6895 63.4955 175.3222 61 R 3.9885 8.9140 122.5512 57.9131 30.4045 178.1530 62 W 4.2544 8.0112 116.8805 56.4773 31.7114 176.7136 63 W 5.0623 8.1996 117.4062 57.3484 30.4792 173.8650 64 C 5.6890 8.1622 112.4409 53.6541 42.9052 172.2760 65 N 5.2998 8.8802 118.5507 51.9655 40.0665 174.6743 66 D 4.6455 8.7232 123.7289 52.2596 40.4344 176.7948 67 G 3.9657 8.4780 107.4247 46.2851 0.0000 174.2748 68 R 4.6774 8.4067 114.4236 55.9989 30.2296 175.9730 69 T 4.4169 7.6053 116.7235 60.9514 68.7590 170.3473 70 P 4.2075 0.0000 0.0000 64.0978 31.9002 176.9858 71 G 3.8275 8.8861 110.6275 45.3864 0.0000 173.4588 72 S 4.2554 7.5850 115.8020 57.9657 63.5468 173.8741 73 R 4.7761 7.7329 122.2786 54.8729 32.7559 176.2415 74 N 5.0304 7.9698 115.3678 52.1788 38.6511 174.9584 75 L 4.1708 8.7914 120.5277 57.3828 42.3809 178.0471 76 C 4.5462 8.6858 114.3478 56.3759 41.0554 172.7030 77 N 4.1220 7.9943 117.9688 53.8725 37.3537 173.3486 78 I 4.6156 8.1507 117.6838 58.7136 42.2165 172.0662 79 P 4.6908 0.0000 0.0000 62.6402 32.0263 178.4541 80 C 4.1193 8.9296 120.4709 59.7347 36.7022 176.7157 81 S 3.9120 7.8652 115.3284 61.0996 62.3220 175.8294 82 A 4.2016 7.7561 122.8527 53.7032 18.2782 178.2822 83 L 4.4101 7.8398 116.9911 54.7983 41.7548 177.5211 84 L 5.5203 7.4902 117.4958 53.6519 42.5582 176.8063 85 S 4.3612 7.8095 113.6368 57.9601 62.8944 174.2061 86 S 4.2641 8.5472 118.9470 60.5157 63.1466 173.7905 87 D 4.7020 7.9789 121.2801 53.3028 41.4535 176.0582 88 I 4.1377 8.3810 119.7261 61.4770 37.8020 177.2987 89 T 3.5026 8.4889 119.7289 67.1869 68.3207 175.9983 90 A 3.9316 7.8589 121.7177 55.2187 18.4428 179.6663 91 S 4.0473 7.9196 113.2081 61.6760 62.9502 176.9882 92 V 3.2875 7.8383 121.0973 65.9390 30.7263 177.7490 93 N 4.1416 8.1761 116.4887 56.4546 38.3721 176.6274 94 C 4.2352 8.3187 119.6181 59.5477 44.3928 175.3752 95 A 4.0534 8.3262 122.8200 55.1497 17.6581 179.7250 96 K 3.6486 7.6579 116.2935 59.4394 32.1685 179.3941 97 K 4.1607 7.6222 117.7131 59.3348 31.9797 179.4181 98 I 2.7373 7.2324 120.2268 64.0459 36.5652 178.8271 99 V 4.0241 8.2212 119.1818 63.9105 31.1180 177.3138 100 S 4.6597 7.4712 114.5069 58.9386 63.2098 174.7456 101 D 4.6101 7.9240 121.0296 55.5675 41.1156 175.2946 102 G 3.6230 7.4754 112.7040 46.0381 0.0000 173.9482 103 N 4.8730 8.0172 116.8188 51.8938 39.6883 175.5340 104 G 3.8512 7.8566 107.6005 46.1143 0.0000 175.8702 105 M 4.0462 7.7365 121.1630 56.0478 31.7479 177.6857 106 N 4.8392 7.8406 116.0622 55.1852 38.8954 176.0781 107 A 3.8438 7.4532 120.8666 54.2623 18.6777 177.9876 108 W 4.5221 8.3060 116.8736 55.4338 29.6614 177.2190 109 V 3.7122 8.5510 124.7168 66.1120 30.9712 177.6181 110 A 4.0387 8.0406 119.7097 54.6740 18.1496 179.4663 111 W 3.9938 8.2491 126.5745 60.6505 30.6973 178.0023 112 R 3.5653 8.2032 117.3223 59.4854 29.6488 177.8297 113 N 4.5003 8.3825 114.9013 54.7667 38.7966 176.0264 114 R 4.4122 7.9699 116.2129 55.4722 32.6489 175.3704 115 C 4.7268 7.6214 114.0682 57.6916 42.4722 174.2339 116 K 3.1357 6.8419 120.5970 57.7474 31.6182 176.8997 117 G 3.8615 8.8214 114.1191 45.6597 0.0000 172.9678 118 T 4.3880 7.4312 109.8618 60.0050 71.0823 175.6814 119 D 4.6975 8.1594 121.1682 53.7427 39.2339 176.6597 120 V 4.1909 7.8756 116.4139 63.2981 32.6150 178.4139 121 Q 4.1044 8.3043 120.2868 58.8816 28.8663 177.5885 122 A 3.9107 7.9090 121.6364 55.0709 18.0381 179.3936 123 W 4.3960 8.1273 116.1713 58.4600 29.3300 176.9940 124 I 4.4744 7.6599 111.5281 60.1092 37.5440 175.2281 125 R 4.0784 7.5422 121.8411 57.9960 30.1374 177.0897 126 G 4.0030 8.9017 112.8496 45.6810 0.0000 174.1028 127 C 4.4538 7.8247 117.5714 56.4291 40.8660 174.0991 128 R 4.0871 8.3736 127.2263 55.4400 28.5736 176.7193 *129 L 4.1530 8.1114 122.9310 54.0956 41.6102 175.5262 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 8.17 4.20 0.00 1.78 1.75 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.92 1.18 7.81 2 V 8.34 4.60 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 3 F 9.50 4.43 0.00 2.94 2.80 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 4 G 9.13 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 0.00 0.00 0.00 5 R 8.75 3.28 0.00 2.09 2.01 0.00 3.65 0.00 0.00 3.76 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 6 C 8.10 4.37 0.00 3.01 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 7 E 8.10 3.90 0.00 2.06 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 0.00 2.63 2.41 0.00 8 L 8.23 3.62 0.00 1.31 1.26 0.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.96 3.89 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 10 A 8.30 3.91 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 11 A 7.85 3.90 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 12 M 8.13 3.82 0.00 1.85 2.20 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 13 K 8.17 3.88 0.00 1.86 1.91 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.99 3.85 0.00 1.76 1.95 0.00 3.22 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 15 H 7.86 4.64 0.00 3.22 3.13 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.76 3.71 0.00 1.35 0.60 -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.90 4.57 0.00 2.64 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 19 N 9.49 4.50 0.00 3.04 2.97 0.00 0.00 6.22 7.08 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 20 Y 8.39 4.32 0.00 3.21 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 21 R 8.99 3.76 0.00 2.37 2.16 0.00 3.26 0.00 0.00 3.02 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.72 0.00 22 G 8.27 3.74 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 0.00 23 Y 8.07 4.43 0.00 3.30 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 4.84 0.00 4.11 4.08 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 25 L 8.98 4.29 0.00 2.07 1.83 1.00 1.27 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 26 G 8.29 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 0.00 0.00 0.00 27 N 8.31 4.51 0.00 2.90 2.66 0.00 0.00 6.98 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 28 W 7.98 3.90 0.00 3.45 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 29 V 8.08 3.55 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 1.21 0.00 0.00 1.00 0.00 0.00 30 C 8.18 2.59 0.00 2.61 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 31 A 7.98 3.90 1.07 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 0.00 0.00 32 A 7.93 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 2.56 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.87 0.00 0.00 3.04 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.23 7.81 34 F 7.13 4.60 0.00 3.05 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 35 E 8.28 4.36 0.00 1.98 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 0.00 2.58 2.55 0.00 36 S 7.91 4.55 0.00 4.14 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 0.00 37 N 8.63 3.95 0.00 2.76 2.84 0.00 0.00 7.17 6.30 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 38 F 7.97 4.05 0.00 3.34 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 39 N 7.94 5.26 0.00 2.80 2.85 0.00 0.00 6.98 7.30 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 40 T 9.15 4.04 4.52 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 1.60 0.00 0.00 41 Q 8.41 4.33 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 42 A 7.95 4.33 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 43 T 8.36 4.93 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 1.31 0.00 0.00 44 N 8.66 4.92 0.00 2.72 2.67 0.00 0.00 6.47 7.04 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 45 R 8.66 4.44 0.00 1.77 1.80 0.00 3.34 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 46 N 9.09 4.96 0.00 2.92 2.71 0.00 0.00 6.54 6.59 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 47 T 8.57 3.89 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 48 D 8.02 4.47 0.00 2.76 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 49 G 8.14 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 0.00 0.00 0.00 50 S 8.39 4.62 0.00 4.02 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 51 T 8.94 5.02 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 0.67 0.00 0.00 52 D 8.88 5.47 0.00 2.68 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 53 Y 9.07 4.98 0.00 2.99 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 54 G 9.04 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 3.94 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.25 0.85 0.00 0.00 56 L 7.88 4.65 0.00 1.75 1.82 0.80 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.97 3.49 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.84 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 58 I 8.21 4.21 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 1.06 0.00 0.00 59 N 9.08 5.56 0.00 3.03 2.98 0.00 0.00 6.98 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 60 S 9.02 4.70 0.00 4.01 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 0.00 61 R 8.91 3.99 0.00 1.65 1.74 0.00 2.82 0.00 0.00 2.83 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.64 0.00 62 W 8.01 4.25 0.00 1.98 1.74 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 63 W 8.20 5.06 0.00 3.57 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 64 C 8.16 5.69 0.00 3.06 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 65 N 8.88 5.30 0.00 2.83 2.67 0.00 0.00 7.12 8.01 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 66 D 8.72 4.65 0.00 2.79 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 67 G 8.48 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 68 R 8.41 4.68 0.00 1.89 1.95 0.00 3.03 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 69 T 7.61 4.42 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 1.12 0.00 0.00 70 P 0.00 4.21 0.00 1.98 1.96 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 71 G 8.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.58 4.26 0.00 3.96 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 73 R 7.73 4.78 0.00 1.84 1.80 0.00 3.21 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.74 0.00 74 N 7.97 5.03 0.00 2.71 2.63 0.00 0.00 6.89 6.66 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 75 L 8.79 4.17 0.00 1.76 1.90 0.42 0.75 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 76 C 8.69 4.55 0.00 3.26 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 77 N 7.99 4.12 0.00 2.85 2.82 0.00 0.00 6.82 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.15 4.62 2.01 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 1.29 0.99 0.94 0.00 0.00 79 P 0.00 4.69 0.00 2.16 1.90 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 80 C 8.93 4.12 0.00 1.99 1.18 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 81 S 7.87 3.91 0.00 4.03 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 82 A 7.76 4.20 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 83 L 7.84 4.41 0.00 1.91 1.78 1.00 0.35 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 84 L 7.49 5.52 0.00 1.80 1.76 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.81 4.36 0.00 3.85 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 86 S 8.55 4.26 0.00 3.99 3.98 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 0.00 0.00 0.00 0.00 87 D 7.98 4.70 0.00 2.69 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 88 I 8.38 4.14 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.40 0.75 0.00 0.00 89 T 8.49 3.50 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 1.20 0.00 0.00 90 A 7.86 3.93 1.29 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 0.00 0.00 0.00 91 S 7.92 4.05 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 92 V 7.84 3.29 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 0.67 0.00 0.00 0.66 0.00 0.00 93 N 8.18 4.14 0.00 2.87 2.79 0.00 0.00 6.71 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.32 4.24 0.00 3.06 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 95 A 8.33 4.05 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 96 K 7.66 3.65 0.00 1.63 1.49 0.00 1.33 0.00 0.00 1.13 0.00 0.00 2.36 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.97 7.81 97 K 7.62 4.16 0.00 1.87 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.62 7.81 98 I 7.23 2.74 1.51 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.19 0.00 0.00 99 V 8.22 4.02 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 1.42 0.00 0.00 0.88 0.00 0.00 100 S 7.47 4.66 0.00 4.05 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 0.00 101 D 7.92 4.61 0.00 2.99 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 0.00 102 G 7.48 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 0.00 103 N 8.02 4.87 0.00 2.72 2.82 0.00 0.00 7.04 7.65 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 0.00 104 G 7.86 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 0.00 0.00 0.00 105 M 7.74 4.05 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.96 0.00 106 N 7.84 4.84 0.00 2.98 3.02 0.00 0.00 6.88 6.64 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 0.00 107 A 7.45 3.84 0.70 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 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.31 4.52 0.00 3.61 3.27 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 0.00 109 V 8.55 3.71 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 1.17 0.00 0.00 0.99 0.00 0.00 110 A 8.04 4.04 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 111 W 8.25 3.99 0.00 3.33 3.60 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 0.00 112 R 8.20 3.57 0.00 2.11 2.17 0.00 3.36 0.00 0.00 3.48 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 113 N 8.38 4.50 0.00 2.72 2.77 0.00 0.00 6.86 7.30 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 0.00 114 R 7.97 4.41 0.00 1.60 1.13 0.00 2.86 0.00 0.00 2.81 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 115 C 7.62 4.73 0.00 2.33 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 0.00 116 K 6.84 3.14 0.00 0.79 1.29 0.00 1.85 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.23 1.08 7.81 117 G 8.82 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 0.00 118 T 7.43 4.39 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 1.25 0.00 0.00 119 D 8.16 4.70 0.00 2.78 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 0.00 120 V 7.88 4.19 2.46 0.00 0.00 0.00 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 1.08 0.00 0.00 121 Q 8.30 4.10 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 122 A 7.91 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 W 8.13 4.40 0.00 3.52 3.36 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 0.00 124 I 7.66 4.47 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 1.02 0.00 0.00 125 R 7.54 4.08 0.00 1.86 1.90 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 126 G 8.90 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 0.00 127 C 7.82 4.45 0.00 3.08 3.03 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 0.00 128 R 8.37 4.09 0.00 1.75 1.87 0.00 3.32 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 *129 L 8.11 4.15 0.00 1.45 1.47 0.92 0.82 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 * Residues marked with a * may have inaccurate shift predictions.