NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.5103 8.4444 118.7891 56.2183 31.0321 174.6759 2 W 5.2333 8.7545 128.1179 56.0974 34.1554 174.0702 3 T 3.4496 9.2604 122.9015 66.7430 68.8142 174.3734 4 G 2.4005 5.3800 106.2082 44.6194 0.0000 173.0996 5 D 4.4447 7.5399 120.3417 54.7998 42.0115 176.6962 6 A 4.6452 8.4353 124.0990 50.8664 16.4388 176.3711 7 R 4.5932 7.5944 118.4676 54.3739 35.1912 174.2293 8 D 4.1459 8.5306 120.8464 54.7196 41.1632 176.5605 9 G 3.2093 7.4922 110.9912 45.7309 0.0000 172.1716 *11 F 4.8474 8.5329 120.5774 57.6240 40.5329 174.8701 12 S 4.7383 8.9027 119.3615 56.9408 65.1619 173.6099 13 G 3.9511 8.3396 106.8249 45.6899 0.0000 173.6926 14 V 4.2531 8.0802 119.3144 61.5610 33.5578 174.6367 15 V 4.5530 8.2813 127.6746 61.1784 33.3210 174.6822 16 I 4.5353 8.5860 129.6750 61.8197 36.8665 175.6311 17 T 4.7565 9.2590 117.8398 61.8738 70.9011 174.5073 18 Q 4.8276 8.0885 119.7385 54.1987 33.6727 173.8117 19 F 4.9060 8.5682 122.9008 56.9818 42.4081 173.0546 20 H 5.1942 9.3380 125.2313 54.7180 33.5270 171.7906 21 T 4.7478 8.2092 117.6257 60.7462 70.4461 173.3623 22 G 3.7604 7.2599 114.1611 45.7503 0.0000 171.2825 23 Q 5.0921 8.5617 120.5667 54.5768 32.6439 175.0786 24 I 4.4861 8.5923 122.7859 60.7959 41.5097 174.2517 25 D 4.3715 9.3561 125.7886 55.6716 39.2627 172.9214 26 N 4.1728 8.3327 110.9761 53.8940 38.1383 172.7117 27 K 4.4828 7.7251 116.4610 53.2443 34.3295 174.1424 28 P 4.7522 0.0000 0.0000 62.9908 32.0618 174.7871 29 Y 5.4801 8.3860 118.0014 55.7128 42.1800 173.5159 30 F 5.4731 9.3620 113.8461 55.5143 42.1430 173.0170 31 C 5.1840 9.2880 119.7682 57.6301 34.9530 172.7319 32 I 4.8129 8.4724 118.5044 59.0284 40.6474 173.7788 33 E 4.9284 9.0492 124.1517 54.5116 32.7209 174.8929 34 G 4.5708 9.0866 112.2224 44.4254 0.0000 171.1017 35 K 5.1622 8.6859 119.6109 54.4600 35.2960 176.8512 36 Q 4.3763 8.8588 124.0716 55.1889 30.2836 177.4955 37 S 4.0061 8.4812 115.3040 61.7204 62.8952 175.8554 38 A 4.4988 7.7540 118.0712 50.9981 20.7958 176.6623 39 G 3.9450 8.3656 103.8385 44.9359 0.0000 173.4727 40 S 4.6289 7.6382 114.1098 57.2734 65.3332 173.0301 41 S 5.1721 8.3252 117.1194 56.9194 64.8617 173.3044 42 I 4.2890 8.2351 123.3902 59.1676 40.8810 174.2925 43 S 5.2777 8.5214 122.3424 55.9113 66.8547 173.2004 44 A 4.8625 8.2577 122.0449 51.2614 22.4987 174.9452 45 C 5.1181 9.4825 119.2441 58.1451 31.9381 173.2981 46 S 5.3892 7.7893 116.0884 56.2745 66.1387 172.2960 *48 K 3.8102 8.3352 119.2968 57.5118 32.4503 175.3014 49 N 4.2322 9.0931 120.7520 54.0505 36.5525 176.0448 50 S 4.6075 7.3412 112.3914 58.1299 64.8085 175.2347 51 S 4.5473 8.4960 111.8955 59.0887 61.2201 179.0810 52 V 3.5727 8.3707 116.2340 63.1541 31.4095 176.6344 53 W 4.8878 7.8974 118.5335 56.5627 29.5537 178.0009 54 G 3.8804 7.9475 106.9288 47.8365 0.0000 175.7513 55 A 4.3033 8.1518 121.1524 54.2091 18.7297 178.5315 56 S 4.6834 8.0536 112.5288 58.3509 63.1592 175.4693 57 F 4.5581 8.1370 126.5646 61.0563 39.1987 177.4039 58 S 4.0839 8.3099 113.7787 61.8670 62.7049 176.6929 59 T 3.9182 7.9415 117.8945 66.6501 68.3402 176.6236 60 L 4.1121 8.4198 121.2853 57.8787 41.7098 178.7566 61 Y 2.8955 8.1847 119.7082 60.5543 38.6486 178.1479 62 N 4.0197 7.9000 116.6586 56.1535 38.6662 177.2347 63 Q 3.6456 8.1678 120.7828 59.0830 29.1060 178.1041 64 A 4.2710 8.4864 122.1241 55.2423 18.4371 179.3711 65 L 3.6514 7.7431 118.8169 58.1233 42.0237 178.2131 66 Y 3.8643 7.8697 119.5145 61.1257 38.6671 178.5682 67 F 4.6771 8.4345 118.3608 60.5620 38.7810 176.9806 68 Y 4.2610 8.4657 119.1359 61.1608 38.6274 178.2952 69 T 3.7890 7.5982 115.4672 66.8521 68.6780 176.6907 70 T 3.9195 7.6593 110.3101 62.5221 68.9128 175.7742 71 G 3.8400 7.8653 107.8881 45.3201 0.0000 173.5343 72 Q 4.2245 7.5781 118.1774 55.5795 29.4526 174.8200 73 P 4.6825 0.0000 0.0000 62.8472 32.4502 175.7449 74 V 4.4839 8.7984 116.1521 59.5482 36.9453 173.9629 75 R 4.8444 8.6989 122.7039 55.1726 31.6879 174.8637 76 I 4.7851 8.4447 127.6198 60.0932 38.9375 174.5585 77 Y 4.8875 8.8772 125.4288 56.5864 39.9637 174.5391 78 Y 5.2134 8.4756 121.1687 55.2669 42.5817 173.6061 79 E 4.7842 8.9197 121.3765 53.4669 31.9515 173.6174 80 P 5.1126 0.0000 0.0000 63.1712 32.8911 177.2375 81 G 4.1733 9.2167 108.8345 46.2415 0.0000 175.2367 82 V 3.4406 7.1577 120.2077 65.0546 31.5649 176.7296 83 W 4.8869 7.4256 118.8270 56.1721 29.7699 176.2643 84 T 4.4834 8.4557 110.4635 61.7974 70.4939 173.9453 85 Y 4.2189 8.1499 122.8798 57.3503 39.4459 174.5038 86 P 4.1757 0.0000 0.0000 65.3680 31.5742 176.7318 87 P 4.1144 0.0000 0.0000 65.4359 31.1888 178.4397 88 F 4.0034 8.0578 118.9659 61.3407 39.2438 177.2224 89 V 3.7931 8.0609 116.9443 65.7720 31.3506 177.7086 90 K 4.0433 8.0395 118.5351 59.4710 32.1963 178.4823 91 A 4.0968 7.7232 119.7540 52.6016 18.5004 177.8206 92 L 4.1447 7.6745 112.1412 54.3838 42.5900 177.7560 93 T 4.3513 8.4358 113.3945 62.1502 70.7832 171.7925 94 S 4.8774 8.4116 118.4211 59.2817 64.9871 173.5314 95 N 5.1119 8.5144 120.3684 53.3678 39.4012 174.1585 96 A 5.1242 8.7435 126.3409 51.2357 20.4045 176.0238 97 L 4.6132 8.7030 124.8746 55.0219 42.5495 176.8994 98 V 4.1172 9.3923 117.8479 59.8294 33.5247 175.4993 99 G 4.1384 7.5629 109.6463 46.6056 0.0000 171.6867 100 L 5.9686 8.2780 118.3134 53.9597 45.9813 175.5423 101 S 5.1213 8.6331 116.0744 57.2284 67.7890 173.8192 102 T 4.3366 8.8572 112.3163 62.0402 70.1827 173.7533 103 C 5.4222 8.5345 119.3657 55.6925 43.0787 174.2439 104 T 4.1068 8.8915 112.7183 63.1705 69.7447 174.2588 105 T 4.7675 7.3196 110.7059 59.3829 71.4022 173.8650 106 S 4.3750 8.5482 114.0458 60.6138 63.2685 175.2571 107 T 4.3770 7.4672 111.9298 61.4092 69.1118 173.0501 108 E 4.5565 8.3386 121.7599 54.8882 30.3255 174.3959 109 C 5.4686 8.3782 120.1240 54.7245 44.4218 173.3205 110 F 4.6706 8.7995 124.0752 58.7943 39.5711 174.1306 111 G 3.4349 8.1080 112.1818 43.2732 0.0000 171.2854 112 P 4.4022 0.0000 0.0000 62.3364 31.9870 175.5784 113 D 4.4944 8.3419 119.6368 53.8130 41.2887 176.8498 114 R 4.3268 8.5509 125.6440 54.3322 29.6218 174.6776 115 K 4.5646 7.9443 125.4470 54.0374 36.0784 174.8573 116 K 4.0117 8.6853 126.2540 56.7258 32.4427 176.7791 117 N 4.4747 8.7794 121.7484 53.3137 39.2019 174.7381 118 S 4.5528 8.2278 114.8081 57.2488 64.7761 172.9827 119 L 4.5438 8.0138 122.7271 53.0800 43.2568 175.7893 120 E 4.1158 8.7328 125.4719 56.5278 29.5962 176.0674 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 4.51 0.00 1.84 1.73 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 1.52 1.47 0.00 2 W 8.75 5.23 0.00 3.29 3.33 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 3 T 9.26 3.45 3.84 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 0.23 0.00 0.00 4 G 5.38 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 0.00 0.00 0.00 5 D 7.54 4.44 0.00 2.64 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 6 A 8.44 4.65 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 7.59 4.59 0.00 1.58 1.73 0.00 3.24 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 8 D 8.53 4.15 0.00 2.43 2.43 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 9 G 7.49 3.21 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 *11 F 8.53 4.85 0.00 3.01 2.97 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 12 S 8.90 4.74 0.00 3.73 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 8.34 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 0.00 0.00 0.00 0.00 14 V 8.08 4.25 2.22 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 0.87 0.00 0.00 1.00 0.00 0.00 15 V 8.28 4.55 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 0.98 0.00 0.00 0.95 0.00 0.00 16 I 8.59 4.54 2.15 0.00 0.00 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 1.53 0.77 1.20 0.00 0.00 17 T 9.26 4.76 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 18 Q 8.09 4.83 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 19 F 8.57 4.91 0.00 2.36 2.53 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 0.00 0.00 0.00 0.00 20 H 9.34 5.19 0.00 3.21 3.11 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 8.21 4.75 4.40 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 1.18 0.00 0.00 22 G 7.26 3.76 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 0.00 0.00 0.00 23 Q 8.56 5.09 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 24 I 8.59 4.49 1.97 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.01 0.68 0.00 0.00 25 D 9.36 4.37 0.00 2.64 2.56 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 26 N 8.33 4.17 0.00 2.83 2.82 0.00 0.00 7.05 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 7.73 4.48 0.00 2.00 1.56 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.29 7.81 28 P 0.00 4.75 0.00 2.03 1.95 0.00 3.51 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 1.37 1.73 0.00 29 Y 8.39 5.48 0.00 3.11 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 30 F 9.36 5.47 0.00 3.37 3.33 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 31 C 9.29 5.18 0.00 3.05 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 32 I 8.47 4.81 1.87 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 1.25 0.90 0.66 0.00 0.00 33 E 9.05 4.93 0.00 2.00 1.79 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 2.14 2.17 0.00 34 G 9.09 4.57 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 0.00 35 K 8.69 5.16 0.00 1.63 1.65 0.00 1.73 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.50 7.81 36 Q 8.86 4.38 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.18 0.00 37 S 8.48 4.01 0.00 3.85 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 38 A 7.75 4.50 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 39 G 8.37 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 0.00 0.00 0.00 0.00 40 S 7.64 4.63 0.00 3.80 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 41 S 8.33 5.17 0.00 3.65 3.69 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 42 I 8.24 4.29 0.78 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 1.22 1.45 0.71 0.00 0.00 43 S 8.52 5.28 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 8.26 4.86 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 9.48 5.12 0.00 2.81 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 46 S 7.79 5.39 0.00 3.88 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 *48 K 8.34 3.81 0.00 0.79 1.13 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.35 7.81 49 N 9.09 4.23 0.00 2.85 2.85 0.00 0.00 7.04 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 7.34 4.61 0.00 4.52 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 51 S 8.50 4.55 0.00 3.87 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 52 V 8.37 3.57 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 0.54 0.00 0.00 -0.07 0.00 0.00 53 W 7.90 4.89 0.00 3.55 3.34 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 0.00 54 G 7.95 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 55 A 8.15 4.30 1.38 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 56 S 8.05 4.68 0.00 4.10 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 57 F 8.14 4.56 0.00 3.39 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 8.31 4.08 0.00 4.05 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 59 T 7.94 3.92 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 8.42 4.11 0.00 2.03 2.11 1.14 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.18 2.90 0.00 2.34 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 62 N 7.90 4.02 0.00 2.97 2.77 0.00 0.00 6.74 6.97 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 63 Q 8.17 3.65 0.00 2.21 2.11 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 2.36 2.11 0.00 64 A 8.49 4.27 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.74 3.65 0.00 0.94 1.14 0.20 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.87 3.86 0.00 3.07 2.85 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 67 F 8.43 4.68 0.00 3.31 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 68 Y 8.47 4.26 0.00 3.18 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 69 T 7.60 3.79 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 1.05 0.00 0.00 70 T 7.66 3.92 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 0.84 0.00 0.00 71 G 7.87 3.84 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 0.00 0.00 0.00 72 Q 7.58 4.22 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 73 P 0.00 4.68 0.00 2.03 2.02 0.00 3.67 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 74 V 8.80 4.48 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 -0.40 0.00 0.00 0.88 0.00 0.00 75 R 8.70 4.84 0.00 1.75 1.68 0.00 2.69 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 0.53 1.28 0.00 76 I 8.44 4.79 1.98 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 1.31 0.72 1.06 0.00 0.00 77 Y 8.88 4.89 0.00 2.99 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 78 Y 8.48 5.21 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.92 4.78 0.00 1.79 1.58 0.00 0.00 0.00 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 2.18 0.00 80 P 0.00 5.11 0.00 2.29 2.32 0.00 3.67 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 81 G 9.22 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.16 3.44 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 0.00 0.00 -0.08 0.00 0.00 0.89 0.00 0.00 83 W 7.43 4.89 0.00 3.43 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 84 T 8.46 4.48 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 1.25 0.00 0.00 85 Y 8.15 4.22 0.00 3.01 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 86 P 0.00 4.18 0.00 2.01 2.01 0.00 3.25 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 87 P 0.00 4.11 0.00 1.99 2.01 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.86 0.00 88 F 8.06 4.00 0.00 3.43 3.33 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 89 V 8.06 3.79 2.15 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 0.92 0.00 0.00 1.23 0.00 0.00 90 K 8.04 4.04 0.00 1.82 1.90 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 91 A 7.72 4.10 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 7.67 4.14 0.00 1.05 1.03 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.44 4.35 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 1.36 0.00 0.00 94 S 8.41 4.88 0.00 4.19 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 95 N 8.51 5.11 0.00 2.90 2.95 0.00 0.00 6.74 7.36 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 96 A 8.74 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.70 4.61 0.00 1.68 1.63 1.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 98 V 9.39 4.12 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 -0.79 0.00 0.00 0.38 0.00 0.00 99 G 7.56 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 0.00 0.00 0.00 100 L 8.28 5.97 0.00 1.82 1.94 1.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.63 5.12 0.00 3.88 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 0.00 102 T 8.86 4.34 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 1.49 0.00 0.00 103 C 8.53 5.42 0.00 2.92 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 0.00 104 T 8.89 4.11 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 1.23 0.00 0.00 105 T 7.32 4.77 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 8.55 4.38 0.00 4.02 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 0.00 107 T 7.47 4.38 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 8.34 4.56 0.00 2.05 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 2.26 2.42 0.00 109 C 8.38 5.47 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 8.80 4.67 0.00 2.92 3.06 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 0.00 111 G 8.11 3.43 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 0.00 112 P 0.00 4.40 0.00 1.73 1.94 0.00 3.61 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 1.50 1.53 0.00 113 D 8.34 4.49 0.00 2.54 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 0.00 114 R 8.55 4.33 0.00 1.95 1.86 0.00 3.06 0.00 0.00 2.33 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 115 K 7.94 4.56 0.00 1.72 1.49 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.37 7.81 116 K 8.69 4.01 0.00 1.63 1.72 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.63 7.81 117 N 8.78 4.47 0.00 2.70 2.75 0.00 0.00 7.01 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 0.00 118 S 8.23 4.55 0.00 3.96 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 0.00 119 L 8.01 4.54 0.00 1.59 1.59 0.92 0.90 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 0.00 120 E 8.73 4.12 0.00 1.97 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 0.00 2.29 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.