NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4902 8.4444 118.7879 56.2527 31.0211 174.7375 2 W 5.0944 8.8854 128.4789 56.5959 33.8081 174.0906 3 T 3.4563 8.9883 123.4365 66.6258 68.8971 174.2793 4 G 2.5180 5.3800 106.7652 44.6808 0.0000 173.1725 5 D 4.4450 7.5022 120.0924 54.1862 41.9427 176.7939 6 A 5.0689 8.2694 123.8187 51.2486 15.5225 176.5215 7 R 4.6497 7.5174 118.4411 53.5492 35.3037 174.9122 8 D 4.1099 8.6452 120.8488 54.7047 41.1254 175.7540 9 G 3.2856 7.5425 113.0687 46.8459 0.0000 173.6023 *11 F 4.9225 8.4459 122.9518 57.5061 40.4027 174.3302 12 S 4.7221 8.8656 119.3911 57.2784 65.0967 173.7673 13 G 3.9112 8.4455 107.4833 46.2525 0.0000 173.6001 14 V 4.1477 7.9589 120.4819 61.7905 33.1709 174.8794 15 V 4.2920 8.3319 128.4561 62.0663 32.7670 174.8720 16 I 4.6278 8.5625 129.7696 61.6778 36.9572 175.6565 17 T 4.8187 9.3166 117.3374 61.5613 70.9297 174.2682 18 Q 4.8187 8.1260 120.1741 54.2603 33.6321 173.7051 19 F 4.9465 8.5849 123.1354 56.9174 42.5770 173.0652 20 H 5.1663 9.4846 125.5287 54.6679 33.4232 171.7492 21 T 4.7819 8.1733 118.2249 60.7372 70.3305 173.3931 22 G 3.8250 7.1110 113.4612 46.0342 0.0000 171.5451 23 Q 5.0800 8.6622 120.3483 54.4778 32.5446 175.1310 24 I 4.4880 8.6403 123.1420 60.7979 41.5917 174.5969 25 D 4.3135 9.5153 126.8833 55.7762 37.9816 173.2774 26 N 4.1951 8.1433 110.6871 53.8730 38.2588 172.9267 27 K 4.4984 7.8740 116.5087 53.3992 34.6715 174.2240 28 P 4.7072 0.0000 0.0000 63.0153 32.1385 174.7420 29 Y 5.2747 8.3267 117.7511 55.7241 42.1480 173.3871 30 F 5.4770 9.3485 114.2034 55.3336 42.0724 172.8595 31 C 5.4060 9.5333 119.2182 54.7938 41.4313 172.6676 32 I 5.0586 8.4478 117.5667 59.0056 41.0995 173.6769 33 E 5.0339 8.9161 123.4801 54.5016 32.8690 174.7055 34 G 4.5583 8.9161 112.6734 44.4882 0.0000 171.2140 35 K 5.1534 8.4925 120.1415 54.4207 34.5483 176.6485 36 Q 4.4937 8.7708 124.0937 55.7585 30.7526 175.7735 37 S 4.6051 8.3358 114.2259 57.6525 64.4580 175.7913 38 A 3.5586 9.1193 132.7599 52.0778 17.8710 178.0141 39 G 3.7205 8.9611 118.2729 47.0142 0.0000 173.7307 40 S 4.3347 7.5752 116.4000 58.0979 64.1171 173.0417 41 S 5.0943 8.0823 117.3049 57.1414 64.9307 173.3685 42 I 4.2978 8.1667 121.9850 59.2172 41.1616 174.2765 43 S 5.5067 8.6269 122.1507 56.0032 66.6414 173.1357 44 A 4.9450 8.2124 121.8428 51.1208 22.6218 175.8637 45 C 5.2921 9.5531 117.6596 55.3036 39.8152 173.2858 46 S 4.9438 7.8294 115.6921 56.2880 65.9444 172.3316 *48 K 3.6349 8.3369 119.4624 57.3170 32.4512 175.4010 49 N 4.3476 9.0390 120.5138 53.9139 36.3003 174.5080 50 S 4.4552 7.4866 111.3615 58.0982 63.8268 174.6856 51 S 4.1756 8.8225 115.7426 61.4440 62.4192 175.2957 52 V 3.7099 7.7720 117.3503 64.0737 31.7649 176.4608 53 W 4.9359 8.0497 116.9077 56.4666 29.7874 177.5403 54 G 3.8505 8.2252 107.6400 47.1565 0.0000 175.8226 55 A 4.1780 8.3195 122.0158 55.2085 18.5648 178.7587 56 S 4.6164 8.1027 111.6007 59.0421 63.2213 175.8637 57 F 4.6885 8.5740 126.5861 60.9538 39.0065 177.2348 58 S 4.0185 8.3373 113.0722 61.6374 62.8843 176.4053 59 T 3.9057 7.9186 118.8580 66.4691 68.3279 176.6829 60 L 4.1358 8.2119 120.9630 57.7471 41.5950 178.8697 61 Y 2.8573 8.1300 119.7086 60.3876 38.6570 177.8459 62 N 3.9787 7.7560 116.9352 56.3004 38.6885 177.1201 63 Q 3.6200 8.1208 120.4737 59.0604 29.1970 178.1234 64 A 4.2788 8.3565 122.1282 55.2460 18.4819 179.2407 65 L 3.6198 7.8364 118.8943 58.2462 41.9107 178.3525 66 Y 3.8316 7.9005 119.3429 61.0397 38.6899 178.4766 67 F 4.6169 8.6456 118.8550 60.5276 38.7621 177.0574 68 Y 4.2209 8.6930 119.1496 61.0516 38.6397 178.2318 69 T 3.7981 7.6887 115.6290 66.8624 68.6887 176.6789 70 T 3.9247 7.7226 110.5732 62.6577 68.8436 175.6613 71 G 3.8474 8.0757 107.9759 45.3731 0.0000 173.4073 72 Q 4.2358 7.6191 116.9773 55.1646 29.4499 174.4345 73 P 4.5746 0.0000 0.0000 62.8964 32.1157 176.0381 74 V 4.4658 8.7804 116.6210 59.5571 36.8415 174.0914 75 R 4.7521 8.6774 122.8538 55.4345 31.4915 174.9281 76 I 4.7629 8.5408 127.8157 60.1249 38.8811 174.5964 77 Y 4.8124 8.8705 125.3119 56.6346 39.9743 174.4911 78 Y 5.2339 8.2874 120.8105 55.4390 42.6325 173.5115 79 E 4.8251 8.9295 121.4475 53.4469 32.1771 173.5392 80 P 5.1690 0.0000 0.0000 63.3543 32.2699 176.6873 81 G 3.8832 8.6867 109.3897 46.1882 0.0000 175.0391 82 V 3.4666 7.5791 120.5346 64.9079 31.5762 176.7626 83 W 4.8382 7.2521 118.6601 56.3298 29.6026 176.0830 84 T 4.5240 8.4075 110.5908 60.6859 69.9979 173.6151 85 Y 4.2420 8.0021 123.4710 57.3577 39.3651 173.9258 86 P 4.1744 0.0000 0.0000 65.4657 31.5420 176.8392 87 P 4.1196 0.0000 0.0000 65.1436 31.0973 178.4391 88 F 4.0179 8.0630 119.1860 61.3627 39.2213 177.1587 89 V 3.9379 7.9674 116.4423 65.9511 31.3949 177.6966 90 K 4.0391 8.1304 117.2379 59.6532 32.0441 178.9044 91 A 4.1446 7.8172 119.3136 52.2653 18.5593 178.0143 92 L 4.2127 7.9108 112.0680 54.5440 42.3714 177.7647 93 T 4.3660 8.5032 114.6889 62.2714 70.8510 171.6614 94 S 4.9469 8.4132 117.5554 58.7223 64.8825 173.4588 95 N 5.1407 8.5448 120.3961 53.3578 39.4821 174.0223 96 A 5.1900 8.9113 126.4396 50.9277 20.7358 175.8955 97 L 4.6442 8.8563 125.1211 54.9375 42.5007 176.8808 98 V 4.0693 8.7193 118.3148 60.1686 33.3819 175.3849 99 G 4.0560 7.5786 107.4792 46.2433 0.0000 172.1607 100 L 5.7753 8.6314 118.7612 53.5630 45.9863 175.9996 101 S 5.1111 9.0248 117.1255 57.0029 67.8471 173.9564 102 T 4.2865 8.8399 112.5017 62.1024 70.0857 173.6935 103 C 5.3417 8.5385 118.9339 55.8084 43.3069 173.7836 104 T 4.1579 9.1653 116.0728 62.9428 67.9037 173.9706 105 T 4.8011 7.2913 110.0050 59.6180 71.6266 173.9179 106 S 3.9329 8.6022 114.1238 60.8503 63.2178 175.3763 107 T 4.2874 7.3596 112.9364 61.7374 69.3159 173.2431 108 E 4.4773 8.3240 121.9810 55.2289 30.0126 174.6187 109 C 5.2898 8.3249 120.1369 54.7630 44.5562 173.6625 110 F 4.5557 8.8665 125.0477 59.1276 39.4646 173.9277 111 G 3.3979 8.2635 112.4356 43.1566 0.0000 171.1467 112 P 4.5122 0.0000 0.0000 62.4971 31.9322 175.3773 113 D 4.6469 8.2461 118.5478 53.9170 41.8331 176.7805 114 R 4.5602 8.6550 121.5725 53.2797 32.2755 173.6402 115 K 4.6657 8.0316 123.7193 54.5102 36.3391 175.6848 116 K 4.3304 8.6169 121.7353 56.5373 32.7823 176.7407 117 N 4.4146 8.8517 120.1815 53.9649 38.4852 174.8089 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 E 8.44 4.49 0.00 1.85 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 1.66 1.47 0.00 2 W 8.89 5.09 0.00 3.39 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 3 T 8.99 3.46 3.82 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 0.37 0.00 0.00 4 G 5.38 2.52 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 5 D 7.50 4.45 0.00 2.61 2.62 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 6 A 8.27 5.07 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 7 R 7.52 4.65 0.00 1.54 1.70 0.00 3.37 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 8 D 8.65 4.11 0.00 2.47 2.52 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 9 G 7.54 3.29 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 0.00 *11 F 8.45 4.92 0.00 3.02 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 12 S 8.87 4.72 0.00 3.72 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 13 G 8.45 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 0.00 0.00 0.00 14 V 7.96 4.15 2.24 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 0.91 0.00 0.00 1.00 0.00 0.00 15 V 8.33 4.29 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 0.88 0.00 0.00 0.96 0.00 0.00 16 I 8.56 4.63 2.15 0.00 0.00 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 1.54 0.78 1.24 0.00 0.00 17 T 9.32 4.82 4.33 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 1.24 0.00 0.00 18 Q 8.13 4.82 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 19 F 8.58 4.95 0.00 2.38 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 20 H 9.48 5.17 0.00 3.15 3.08 0.00 5.58 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 21 T 8.17 4.78 4.35 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 1.17 0.00 0.00 22 G 7.11 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 23 Q 8.66 5.08 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 24 I 8.64 4.49 1.94 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.33 0.60 0.00 0.00 25 D 9.52 4.31 0.00 2.71 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 26 N 8.14 4.20 0.00 2.81 2.85 0.00 0.00 7.07 6.68 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 27 K 7.87 4.50 0.00 1.85 1.62 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.44 7.81 28 P 0.00 4.71 0.00 2.11 1.97 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.82 0.00 29 Y 8.33 5.27 0.00 3.07 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 30 F 9.35 5.48 0.00 3.35 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 31 C 9.53 5.41 0.00 3.01 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 32 I 8.45 5.06 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.65 0.00 0.00 33 E 8.92 5.03 0.00 2.02 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 2.14 2.17 0.00 34 G 8.92 4.56 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 0.00 0.00 0.00 35 K 8.49 5.15 0.00 1.69 1.66 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.37 7.81 36 Q 8.77 4.49 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 37 S 8.34 4.61 0.00 3.75 3.70 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 38 A 9.12 3.56 1.04 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 0.00 0.00 39 G 8.96 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 40 S 7.58 4.33 0.00 3.89 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 41 S 8.08 5.09 0.00 3.65 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 42 I 8.17 4.30 0.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.16 0.67 0.00 0.00 43 S 8.63 5.51 0.00 3.68 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 44 A 8.21 4.94 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 45 C 9.55 5.29 0.00 2.79 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 46 S 7.83 4.94 0.00 3.90 3.42 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 *48 K 8.34 3.63 0.00 0.79 1.10 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.39 7.81 49 N 9.04 4.35 0.00 2.87 2.87 0.00 0.00 7.03 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 50 S 7.49 4.46 0.00 4.45 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 0.00 51 S 8.82 4.18 0.00 3.86 3.93 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 52 V 7.77 3.71 1.68 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 -0.21 0.00 0.00 0.77 0.00 0.00 53 W 8.05 4.94 0.00 3.53 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 54 G 8.23 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 55 A 8.32 4.18 1.40 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 0.00 0.00 56 S 8.10 4.62 0.00 4.31 4.14 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 57 F 8.57 4.69 0.00 3.30 3.29 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 58 S 8.34 4.02 0.00 4.17 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 59 T 7.92 3.91 4.34 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 1.26 0.00 0.00 60 L 8.21 4.14 0.00 2.07 2.11 1.14 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.13 2.86 0.00 2.23 2.68 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 0.00 0.00 0.00 0.00 62 N 7.76 3.98 0.00 2.94 2.76 0.00 0.00 6.74 9.15 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 63 Q 8.12 3.62 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 64 A 8.36 4.28 1.57 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 0.00 0.00 65 L 7.84 3.62 0.00 0.95 1.33 0.03 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.90 3.83 0.00 3.02 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 67 F 8.65 4.62 0.00 3.25 3.09 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 0.00 0.00 0.00 68 Y 8.69 4.22 0.00 3.17 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 69 T 7.69 3.80 4.16 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 1.05 0.00 0.00 70 T 7.72 3.92 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 0.74 0.00 0.00 71 G 8.08 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 72 Q 7.62 4.24 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.19 0.00 73 P 0.00 4.57 0.00 1.92 2.00 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 74 V 8.78 4.47 1.81 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 -0.36 0.00 0.00 0.89 0.00 0.00 75 R 8.68 4.75 0.00 1.76 1.67 0.00 2.72 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.34 0.00 76 I 8.54 4.76 2.04 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 1.32 0.72 1.10 0.00 0.00 77 Y 8.87 4.81 0.00 2.96 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 78 Y 8.29 5.23 0.00 3.13 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 79 E 8.93 4.83 0.00 1.76 1.52 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 2.17 2.20 0.00 80 P 0.00 5.17 0.00 2.18 2.20 0.00 3.51 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.89 0.00 81 G 8.69 3.88 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 0.00 0.00 0.00 82 V 7.58 3.47 0.95 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 -0.03 0.00 0.00 0.85 0.00 0.00 83 W 7.25 4.84 0.00 3.55 2.69 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 84 T 8.41 4.52 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 1.24 0.00 0.00 85 Y 8.00 4.24 0.00 2.99 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 86 P 0.00 4.17 0.00 2.02 2.02 0.00 3.36 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 87 P 0.00 4.12 0.00 2.04 2.01 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 88 F 8.06 4.02 0.00 3.37 3.28 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 89 V 7.97 3.94 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 0.96 0.00 0.00 1.19 0.00 0.00 90 K 8.13 4.04 0.00 1.99 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.44 7.81 91 A 7.82 4.14 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 92 L 7.91 4.21 0.00 1.03 1.02 0.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.50 4.37 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 1.40 0.00 0.00 94 S 8.41 4.95 0.00 4.09 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 0.00 95 N 8.54 5.14 0.00 2.85 2.88 0.00 0.00 6.76 7.46 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 96 A 8.91 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.86 4.64 0.00 1.67 1.64 1.15 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.72 4.07 0.67 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 -0.83 0.00 0.00 0.49 0.00 0.00 99 G 7.58 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 0.00 0.00 0.00 0.00 100 L 8.63 5.78 0.00 1.80 1.92 1.23 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 101 S 9.02 5.11 0.00 3.88 3.93 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 0.00 102 T 8.84 4.29 4.30 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 1.48 0.00 0.00 103 C 8.54 5.34 0.00 2.95 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 0.00 104 T 9.17 4.16 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 1.32 0.00 0.00 105 T 7.29 4.80 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 1.22 0.00 0.00 106 S 8.60 3.93 0.00 4.02 4.16 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 0.00 107 T 7.36 4.29 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 0.00 108 E 8.32 4.48 0.00 2.06 1.89 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 2.29 2.43 0.00 109 C 8.32 5.29 0.00 2.90 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 0.00 110 F 8.87 4.56 0.00 2.96 3.11 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 0.00 111 G 8.26 3.40 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 0.00 0.00 0.00 112 P 0.00 4.51 0.00 1.81 2.09 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 113 D 8.25 4.65 0.00 2.55 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 0.00 114 R 8.66 4.56 0.00 1.95 1.71 0.00 3.25 0.00 0.00 3.34 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 115 K 8.03 4.67 0.00 1.71 1.70 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.41 7.81 116 K 8.62 4.33 0.00 1.62 1.77 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.71 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.40 1.61 7.81 117 N 8.85 4.41 0.00 2.70 2.75 0.00 0.00 6.86 7.56 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 * Residues marked with a * may have inaccurate shift predictions.