NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3896 8.2649 123.6201 51.8298 18.6012 176.6570 2 D 4.3569 8.3418 120.2836 54.6596 41.5497 174.4977 3 D 4.3775 8.8307 120.2784 55.5559 39.3847 174.7616 4 A 4.8184 7.1640 120.4626 49.7506 17.3759 176.0368 5 K 4.3013 8.2743 119.8779 54.1376 34.8769 175.2855 6 P 4.3450 0.0000 0.0000 62.2795 32.5656 176.0581 7 R 4.4282 9.2290 122.8196 54.8673 33.0135 173.8282 8 V 4.6874 8.4265 126.0507 60.7725 34.5658 174.4576 9 K 4.5415 9.0238 128.5650 54.6798 34.6219 174.8660 10 V 4.7288 8.2035 126.3527 60.3654 34.0820 172.7507 11 P 4.3019 0.0000 0.0000 63.5339 31.7895 176.9889 12 S 4.4670 8.7336 116.1043 59.9164 64.1887 173.4186 13 S 5.7032 7.9052 114.1764 58.1200 66.1805 173.1212 14 A 4.7434 8.2039 120.4169 50.6612 22.6264 175.6314 15 K 4.4427 10.2697 122.1323 55.6974 33.7875 176.4775 16 A 4.2004 8.4493 128.8850 53.8463 18.5828 178.1341 17 G 4.1148 9.2834 112.6459 44.2067 0.0000 173.1988 18 E 4.2770 8.0345 121.3427 56.1488 31.1047 175.5884 19 T 4.8284 8.4186 122.0698 63.2343 69.5832 174.5098 20 V 4.5761 8.9053 119.4212 59.7556 35.4729 174.8718 21 T 4.7381 8.4661 120.6442 62.9955 69.7177 174.1867 22 V 4.2810 8.4050 126.3339 60.8743 34.3386 174.4375 23 K 4.7556 8.6338 125.6782 54.4533 35.8871 175.0588 24 A 4.9751 8.7469 126.5338 50.1013 22.2121 174.5195 25 L 5.6644 9.0018 123.8170 52.3375 46.4791 174.9717 26 I 4.7374 7.7531 121.9069 58.9412 42.0027 173.8879 27 S 4.7816 8.2986 123.6528 58.6289 64.1873 172.6262 28 H 4.6338 9.3323 123.0984 55.8426 33.7169 172.5198 29 K 4.1193 8.8525 125.4404 57.1684 30.9201 178.9096 *31 E 4.0884 9.3136 128.7423 56.7598 30.7107 175.1949 32 S 4.1761 8.7666 121.0186 59.2288 63.7742 175.3678 33 G 4.2116 8.5436 108.4709 45.0199 0.0000 173.5528 34 Q 4.4194 7.6314 116.6927 55.8100 30.2022 175.8145 35 R 4.1861 7.7560 119.4868 55.4925 30.9231 175.0161 36 K 4.7495 8.3964 124.7327 55.2659 33.6508 176.6870 37 D 4.6809 8.9447 122.9010 52.1110 41.5650 176.5616 38 A 3.9573 8.6941 121.0712 56.0476 18.1410 178.6443 39 D 4.5025 8.1330 111.1342 54.7588 40.6349 177.3639 40 G 3.8887 8.1123 107.2230 45.4704 0.0000 173.6549 41 K 4.4039 8.3769 121.8591 54.9807 33.8412 176.0521 42 L 4.5159 8.4236 126.6868 55.0376 42.4575 176.5655 43 I 4.1444 9.1290 125.6214 59.8812 38.3206 173.8138 44 P 4.4774 0.0000 0.0000 62.7370 31.8596 176.2880 45 R 4.2522 8.5418 123.7412 57.2483 30.9051 176.4474 46 S 4.6861 9.0151 121.1060 57.9072 64.3650 173.0461 47 I 4.8455 9.1783 120.8516 58.5141 41.5445 174.8347 48 I 4.4096 8.2767 123.8613 61.4769 37.4735 175.8324 49 N 5.1044 9.3317 122.3505 52.3375 39.1728 174.3739 50 R 5.2159 7.8715 119.2173 55.3471 34.0405 173.0635 51 F 5.4612 9.1853 127.0644 56.6411 43.0116 173.3923 52 T 4.4830 8.0828 115.3439 59.6556 72.3999 172.2144 53 C 4.6765 8.2975 123.2536 57.5520 34.7380 172.5335 54 E 5.0084 8.8816 125.2205 54.2967 33.3568 174.6802 55 L 4.4846 8.5131 124.2746 53.3545 44.6208 176.2418 56 N 4.0328 9.7670 125.9662 54.3306 36.6606 175.6757 57 G 3.8660 8.3950 104.4600 45.2152 0.0000 173.9010 58 V 4.2675 7.2379 119.9856 60.3100 33.5150 174.4192 59 N 4.6180 8.5408 125.5430 53.9838 39.5357 174.1445 60 V 4.1752 8.7632 126.5563 64.5858 32.1745 176.1544 61 V 4.3986 7.0482 118.5142 59.9356 35.0414 172.6095 62 D 4.8750 8.3821 121.2577 52.4790 43.9070 174.5737 63 V 4.2833 8.7902 126.1851 60.8889 34.1405 173.9691 64 A 4.7367 8.6021 130.1455 51.2239 19.3282 176.0908 65 I 4.5771 8.8338 124.3982 59.8796 39.9361 175.2878 66 D 5.0207 8.5243 124.9713 51.5284 43.8123 175.3471 67 P 4.3542 0.0000 0.0000 65.1838 31.2917 177.7103 68 A 4.2230 7.8982 119.3854 53.2613 18.8752 177.8889 69 V 3.7989 7.5405 116.3838 62.4955 32.1353 176.1757 70 S 4.3545 8.4448 122.1309 58.1850 63.4383 173.9950 71 T 3.8172 8.3486 118.0746 65.5526 68.9618 173.7043 72 N 4.8462 9.1896 121.9760 52.2816 36.2668 172.0235 73 P 4.3634 0.0000 0.0000 63.0237 33.0552 175.9079 74 Y 4.9592 7.9447 123.4072 55.7087 41.4655 174.4512 75 F 4.8857 8.4609 124.3884 55.5664 43.2513 173.3790 76 E 5.1781 8.8924 122.9726 53.4347 32.7089 174.3031 77 F 4.8604 7.2771 119.3323 56.6946 41.3193 171.6837 78 D 5.4588 9.0645 117.5451 52.5660 43.7709 175.4800 79 A 4.9416 9.1906 124.9212 50.0166 22.3133 175.1565 80 K 4.6247 8.6918 122.6795 55.4216 33.4261 176.4870 81 V 4.0822 8.8645 129.8137 61.9556 31.4056 175.8306 82 D 4.7422 8.6231 128.3193 55.6459 41.6097 176.4585 83 A 4.5762 7.3702 118.7895 50.4651 21.8965 175.6205 84 A 4.3899 8.5740 122.8245 51.8688 20.4079 179.6334 85 G 4.3798 7.6609 111.9882 45.9327 0.0000 175.0567 86 E 5.1271 7.7598 121.4028 54.7134 32.6942 172.8826 87 F 4.7499 9.3652 121.1352 56.9313 40.8804 174.5134 88 K 4.8708 9.0096 123.8749 54.6927 34.8379 174.4911 89 F 4.9840 9.7743 126.8891 55.9949 41.5243 174.9438 90 T 5.1314 8.1302 119.2374 61.4888 72.5062 172.8862 91 W 5.4453 9.6776 125.2573 55.1900 33.0075 173.8784 92 Y 4.7774 9.5257 122.4679 56.3054 39.8585 174.3570 93 D 5.0420 8.8525 124.9539 53.0812 42.4680 176.8974 94 D 4.5779 9.1070 126.1703 57.7700 41.0130 177.6458 95 D 4.5876 8.7752 116.0816 53.5379 39.5383 177.2392 96 G 4.0015 8.1804 109.3855 45.3499 0.0000 174.4136 97 S 4.3166 8.4323 116.3125 58.4194 64.2710 173.4142 98 V 4.3100 7.7681 121.1395 61.2709 34.0913 174.0682 99 Y 5.1065 8.5368 125.4399 56.4871 40.5252 174.6737 100 E 5.5811 8.9925 121.2837 54.9465 33.9105 174.4237 101 D 5.0906 9.7673 121.6424 52.7272 45.3172 174.0889 102 V 5.0726 8.7178 123.9980 61.0376 34.5085 174.3729 103 K 4.7407 9.3343 128.4706 53.9751 34.9012 173.6779 104 P 4.9902 0.0000 0.0000 62.7908 32.3960 175.7466 105 I 4.9142 9.0876 122.3428 59.4057 41.4689 173.9253 106 A 4.9470 9.1641 131.0477 50.5398 21.6356 175.6796 107 V 4.5940 8.3414 119.8172 61.8879 33.1480 175.6930 108 A 4.1336 8.9963 130.6068 52.7984 19.1530 176.1039 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 A 8.26 4.39 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.36 0.00 2.78 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 3 D 8.83 4.38 0.00 2.72 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 4 A 7.16 4.82 0.19 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 5 K 8.27 4.30 0.00 1.79 1.82 0.00 1.10 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 P 0.00 4.35 0.00 2.09 1.69 0.00 3.52 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.76 0.00 7 R 9.23 4.43 0.00 1.71 1.67 0.00 2.99 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 8 V 8.43 4.69 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 0.42 0.00 0.00 0.38 0.00 0.00 9 K 9.02 4.54 0.00 1.77 1.58 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.32 7.81 10 V 8.20 4.73 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 0.58 0.00 0.00 0.73 0.00 0.00 11 P 0.00 4.30 0.00 2.26 2.01 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 12 S 8.73 4.47 0.00 3.95 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 13 S 7.91 5.70 0.00 4.13 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 14 A 8.20 4.74 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 15 K 10.27 4.44 0.00 1.79 1.82 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.45 7.81 16 A 8.45 4.20 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 17 G 9.28 4.11 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 0.00 18 E 8.03 4.28 0.00 2.18 1.93 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 2.33 2.31 0.00 19 T 8.42 4.83 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 1.25 0.00 0.00 20 V 8.91 4.58 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 0.84 0.00 0.00 1.13 0.00 0.00 21 T 8.47 4.74 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 1.18 0.00 0.00 22 V 8.41 4.28 0.89 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 0.90 0.00 0.00 0.55 0.00 0.00 23 K 8.63 4.76 0.00 1.66 1.65 0.00 1.68 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.26 7.81 24 A 8.75 4.98 1.26 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 0.00 0.00 25 L 9.00 5.66 0.00 1.83 1.61 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.75 4.74 0.56 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.66 0.42 0.00 0.00 27 S 8.30 4.78 0.00 3.86 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 28 H 9.33 4.63 0.00 3.06 3.10 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.85 4.12 0.00 1.73 1.34 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.68 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.35 7.81 *31 E 9.31 4.09 0.00 2.09 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 2.36 2.43 0.00 32 S 8.77 4.18 0.00 4.04 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 33 G 8.54 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 0.00 0.00 0.00 0.00 34 Q 7.63 4.42 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 35 R 7.76 4.19 0.00 1.85 1.93 0.00 3.16 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 36 K 8.40 4.75 0.00 1.78 1.71 0.00 1.80 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 37 D 8.94 4.68 0.00 2.81 2.84 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 38 A 8.69 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.50 0.00 2.79 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 40 G 8.11 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 41 K 8.38 4.40 0.00 1.84 2.03 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.42 7.81 42 L 8.42 4.52 0.00 1.58 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 I 9.13 4.14 1.95 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 1.23 1.27 0.92 0.00 0.00 44 P 0.00 4.48 0.00 1.95 2.02 0.00 3.70 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 2.04 2.11 0.00 45 R 8.54 4.25 0.00 2.02 1.86 0.00 3.30 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 46 S 9.02 4.69 0.00 3.91 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 47 I 9.18 4.85 1.95 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 1.45 1.22 1.00 0.00 0.00 48 I 8.28 4.41 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.27 1.37 0.00 0.00 49 N 9.33 5.10 0.00 2.76 3.24 0.00 0.00 6.26 7.31 0.00 0.00 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 R 7.87 5.22 0.00 1.84 1.80 0.00 2.82 0.00 0.00 2.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 51 F 9.19 5.46 0.00 3.08 2.48 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 0.00 52 T 8.08 4.48 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 1.11 0.00 0.00 53 C 8.30 4.68 0.00 2.82 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 0.00 0.00 0.00 0.00 54 E 8.88 5.01 0.00 1.75 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 2.06 2.01 0.00 55 L 8.51 4.48 0.00 1.49 1.30 0.77 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 56 N 9.77 4.03 0.00 2.72 2.76 0.00 0.00 7.19 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 57 G 8.39 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 58 V 7.24 4.27 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 0.99 0.00 0.00 0.87 0.00 0.00 59 N 8.54 4.62 0.00 2.61 2.61 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 60 V 8.76 4.18 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 1.07 0.00 0.00 1.07 0.00 0.00 61 V 7.05 4.40 1.59 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 -0.36 0.00 0.00 0.69 0.00 0.00 62 D 8.38 4.88 0.00 2.48 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 4.28 1.70 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 0.63 0.00 0.00 0.57 0.00 0.00 64 A 8.60 4.74 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 65 I 8.83 4.58 2.08 0.00 0.00 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 1.39 1.44 1.15 0.00 0.00 66 D 8.52 5.02 0.00 2.75 2.59 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 67 P 0.00 4.35 0.00 2.07 2.31 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 68 A 7.90 4.22 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 3.80 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 0.84 0.00 0.00 1.11 0.00 0.00 70 S 8.44 4.35 0.00 3.86 3.75 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 71 T 8.35 3.82 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 1.26 0.00 0.00 72 N 9.19 4.85 0.00 2.76 2.77 0.00 0.00 6.97 7.57 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 73 P 0.00 4.36 0.00 2.15 2.23 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 74 Y 7.94 4.96 0.00 2.77 2.61 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 0.00 0.00 0.00 0.00 75 F 8.46 4.89 0.00 2.81 2.96 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 76 E 8.89 5.18 0.00 1.72 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 2.15 2.13 0.00 77 F 7.28 4.86 0.00 3.25 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 78 D 9.06 5.46 0.00 2.61 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 79 A 9.19 4.94 1.55 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 80 K 8.69 4.62 0.00 1.81 1.77 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.45 7.81 81 V 8.86 4.08 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 0.81 0.00 0.00 1.09 0.00 0.00 82 D 8.62 4.74 0.00 2.71 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 83 A 7.37 4.58 1.16 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 0.00 0.00 0.00 0.00 0.00 84 A 8.57 4.39 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 85 G 7.66 4.38 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 0.00 0.00 0.00 86 E 7.76 5.13 0.00 2.15 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 2.21 2.30 0.00 87 F 9.37 4.75 0.00 3.11 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 4.87 0.00 1.68 1.49 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.38 7.81 89 F 9.77 4.98 0.00 3.07 2.37 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 90 T 8.13 5.13 4.06 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 0.00 0.00 0.66 0.00 0.00 91 W 9.68 5.45 0.00 3.58 3.24 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 92 Y 9.53 4.78 0.00 2.94 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 93 D 8.85 5.04 0.00 2.78 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 94 D 9.11 4.58 0.00 2.82 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 95 D 8.78 4.59 0.00 2.80 2.84 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 96 G 8.18 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 97 S 8.43 4.32 0.00 3.46 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.31 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 0.44 0.00 0.00 0.83 0.00 0.00 99 Y 8.54 5.11 0.00 3.20 2.82 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 0.00 100 E 8.99 5.58 0.00 1.90 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 2.23 2.30 0.00 101 D 9.77 5.09 0.00 3.12 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 0.00 102 V 8.72 5.07 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 0.98 0.00 0.00 1.02 0.00 0.00 103 K 9.33 4.74 0.00 2.11 2.06 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.54 7.81 104 P 0.00 4.99 0.00 2.04 2.02 0.00 3.78 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 2.09 2.14 0.00 105 I 9.09 4.91 2.13 0.00 0.00 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 1.23 2.04 0.83 0.00 0.00 106 A 9.16 4.95 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 0.00 107 V 8.34 4.59 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 0.86 0.00 0.00 0.96 0.00 0.00 108 A 9.00 4.13 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 * Residues marked with a * may have inaccurate shift predictions.