NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8812 8.2833 119.1732 53.0498 40.2782 175.3240 2 L 4.1540 8.5027 125.1547 57.3353 41.5047 178.5090 3 L 4.0816 9.4556 121.0271 57.4574 41.9067 179.1989 4 Q 4.0001 7.9421 118.1693 58.9827 28.6880 178.1685 5 F 4.4653 8.3645 121.1548 61.7159 39.1936 176.7349 6 N 4.0661 8.1801 114.9481 55.7682 38.6044 177.1717 7 K 4.0986 7.9526 121.2103 59.8076 32.3964 178.5878 8 M 4.0581 8.3934 119.3357 58.7137 31.9444 178.6528 9 I 3.5475 7.8554 120.0438 64.4400 37.1092 178.3790 10 K 4.8395 7.7664 121.0643 58.7965 31.8652 178.1853 *12 E 4.2453 7.9752 117.6709 55.6862 31.3790 175.8743 13 E 4.3749 8.3271 117.2633 57.5311 30.3561 176.9677 14 T 4.2176 7.9328 106.8310 60.7271 69.9750 175.6720 15 G 3.7986 8.3052 109.7138 45.7849 0.0000 172.8792 16 K 4.3211 7.8229 119.1548 54.1890 34.9314 174.4062 17 N 5.2362 8.3589 116.2617 51.3556 40.9108 174.5999 18 A 4.1798 8.6527 126.5530 55.1155 18.5524 176.8860 19 I 4.7314 7.5010 115.0543 59.1022 38.8525 174.2092 20 P 4.4021 0.0000 0.0000 65.9141 31.9585 179.3982 21 F 4.3986 6.3246 115.6946 61.2847 39.1163 175.9411 22 Y 4.6404 8.6408 115.4905 57.0349 40.5104 176.0957 23 A 3.8296 7.7458 123.5557 54.6141 18.5421 177.7003 24 F 5.2056 7.3935 114.3338 56.4126 42.3678 172.9617 25 Y 5.1490 8.7256 125.5242 56.9894 42.7028 175.3789 26 G 3.4686 7.0470 114.2486 47.3090 0.0000 173.7262 27 C 4.9525 10.7673 121.4928 56.6201 35.5863 174.5635 28 Y 4.5724 8.3616 116.6831 57.2499 40.0582 175.5372 29 C 4.6642 7.9824 115.5571 57.9421 40.8272 175.1058 30 G 4.2211 7.4637 111.6525 45.2469 0.0000 173.1580 31 G 4.0613 8.7361 108.5936 45.6163 0.0000 176.6768 32 G 3.7157 9.5103 118.8434 44.5610 0.0000 174.0027 33 G 3.7171 8.9563 111.0271 44.8955 0.0000 171.4046 34 N 4.6097 7.1762 114.5468 53.6280 43.1017 175.1014 35 G 4.0737 8.3717 104.4375 44.4526 0.0000 173.7272 36 K 4.6662 8.1639 124.4074 53.3288 34.7574 173.7761 37 P 4.3395 0.0000 0.0000 62.9393 31.7699 176.2426 38 K 3.7534 8.9218 123.6213 58.8295 32.5378 175.6746 39 D 4.3728 7.6400 115.6139 51.6667 41.6499 175.7009 40 G 4.0717 8.9650 106.4639 48.2522 0.0000 175.0976 41 T 4.2075 7.9802 117.7664 66.2737 68.5242 175.9598 42 D 4.5567 8.6546 119.6973 57.5200 41.1338 178.2572 43 R 3.9169 8.7998 119.7701 59.4818 29.9091 177.9423 44 C 4.1096 8.1931 116.4033 60.1643 38.4077 175.4189 45 C 4.3812 8.3608 117.6086 59.8945 37.8390 175.4279 46 F 3.9158 8.4454 122.4633 61.4794 38.8348 177.2770 47 V 2.9855 7.7383 117.4730 66.0757 31.2785 177.4206 48 H 3.7614 8.1610 117.9709 59.2505 29.6919 176.9025 49 D 4.2137 8.6056 121.1046 57.5977 40.4314 178.2047 50 C 4.1068 7.7714 116.3210 59.8647 34.8579 174.9713 51 C 4.2014 8.2150 120.3326 59.9334 41.4613 175.0038 52 Y 4.4465 7.8189 118.1924 61.3009 37.3091 178.9157 53 G 3.8851 7.7552 104.9824 48.3618 0.0000 175.5431 54 R 4.0607 7.7152 118.4771 57.5265 31.3637 177.6326 55 L 4.5595 7.9450 120.6756 53.0089 40.4024 176.6844 56 V 3.6049 7.4654 114.7762 64.5366 32.4368 178.1716 *59 N 4.7187 7.8879 114.9815 53.1622 40.0232 174.1010 *61 C 5.3094 7.8469 114.2422 57.2851 41.0419 172.9200 *67 N 4.9080 8.4813 120.8088 52.9986 38.6747 174.1331 68 T 3.5258 7.8436 111.8467 63.6593 69.0818 176.1630 69 K 4.2479 7.9383 119.9387 58.0149 33.7177 178.3826 70 S 4.2437 9.3441 115.6963 60.1761 63.7397 174.1567 71 D 4.2615 7.5632 117.4295 54.9493 41.1903 176.1180 72 I 4.2634 8.1409 126.9278 60.1780 38.5570 174.2634 73 Y 4.9656 8.3407 121.5915 55.1185 41.3541 174.3846 74 S 5.0644 8.6715 114.8193 57.2360 64.9423 172.7375 75 Y 5.3552 8.4195 120.7028 56.3697 41.2623 173.8470 76 S 4.5951 8.9206 116.0009 57.8025 67.2408 173.3589 77 L 5.0225 7.9687 114.1930 56.0245 43.2577 173.9713 78 K 4.2554 7.9332 123.2187 56.5599 34.1034 176.3994 79 E 3.8024 9.6803 124.0566 57.6320 26.7965 176.2946 80 G 3.8827 8.1028 105.3219 46.0053 0.0000 172.2508 81 Y 4.5488 8.7675 123.4710 55.7571 40.5294 174.6473 82 I 4.2848 7.8602 128.1611 60.8022 37.9568 175.4079 83 T 4.6452 8.6783 124.0873 62.1989 70.9630 174.3514 84 C 5.1993 8.6680 123.0085 55.2889 41.8840 175.0712 85 G 3.9318 8.9492 114.2762 45.8804 0.0000 172.7857 86 K 4.5311 8.6511 119.5315 55.9003 35.2179 176.8328 *88 G 4.3322 8.1453 106.7122 45.9225 0.0000 174.2828 89 T 4.6635 8.2455 114.2196 59.0528 72.4626 174.3142 90 N 4.3248 8.6793 120.4487 57.4440 38.7804 177.6365 91 C 4.2652 8.1177 116.8317 60.1351 39.4446 175.8740 92 E 4.0307 7.6741 119.5318 59.3840 28.9761 179.3068 93 E 3.8584 9.0853 119.6970 59.6576 29.6193 178.8964 94 Q 3.9121 8.5457 118.3261 59.4502 28.7670 179.2843 95 I 3.6980 8.1021 120.5248 64.7640 37.2174 177.5130 96 C 3.0217 7.7344 118.7972 59.5318 41.6081 175.6263 97 E 3.6212 8.2414 120.1204 59.2933 28.6285 178.9091 98 C 4.0780 7.9899 116.8273 59.8037 38.0363 175.6002 99 D 3.4819 7.9881 120.8016 57.1693 40.3860 179.1443 100 R 3.8655 7.8246 116.5348 59.3007 29.2983 178.9386 101 V 3.4314 7.2192 118.3000 65.4974 31.3848 177.8528 102 A 3.4297 7.5464 120.1951 54.6556 18.3461 179.1149 103 A 4.0619 8.4826 119.4411 55.6815 18.4381 179.5916 104 E 3.8456 8.4486 117.8717 59.3625 29.4583 177.9731 105 C 4.0755 7.8782 118.1303 59.6809 44.2003 175.3352 106 F 4.4778 7.9837 119.6398 60.6956 38.0018 177.6289 107 R 3.9804 7.8594 117.7837 59.3535 29.6535 178.1642 108 R 3.9502 7.9971 115.7321 57.3934 30.2478 177.1550 109 N 4.9304 8.0089 115.3917 52.9983 39.9750 176.4639 110 L 4.0342 7.5226 121.4959 57.9500 41.5801 178.6338 111 D 4.7677 8.1290 116.5766 55.2911 39.2708 176.7926 112 T 4.7316 8.2851 108.9223 61.4283 70.2136 173.2516 113 Y 4.1048 8.2017 123.5272 58.3715 39.3445 174.6777 114 N 5.1597 9.7560 126.3745 51.6613 40.4007 174.3604 115 N 4.5164 9.2896 124.6009 56.5868 38.8110 177.7102 116 G 3.7931 8.0389 105.1390 48.4452 0.0000 173.4992 117 Y 4.5467 7.7296 116.4665 58.5750 38.3073 175.1410 118 M 4.1464 8.0533 121.2139 56.3247 32.6920 175.5592 119 F 3.8262 8.1391 123.5106 58.5649 37.2526 175.1367 120 Y 4.1712 8.1630 121.5557 56.8910 38.7251 175.0155 121 R 3.8357 8.2841 126.2166 57.1820 30.6118 177.2706 122 D 4.6112 8.5980 120.6746 56.1106 41.4255 178.1976 *124 S 4.4323 7.9187 112.9672 58.2085 64.6815 175.2489 125 K 4.0881 7.4173 117.2499 58.4185 32.3969 176.7378 126 C 4.7456 7.5836 119.1546 56.3511 39.1947 176.0564 127 T 4.2854 7.3019 112.3774 60.1758 67.3467 173.5252 128 E 4.7944 7.4331 126.4800 55.4641 35.4728 175.0371 129 T 4.2729 8.4678 117.6978 63.3681 68.8552 175.0644 130 S 4.3907 8.9117 122.2806 59.1704 63.3100 174.6563 131 E 3.9873 9.4013 126.1690 55.8747 30.0346 175.7839 132 E 4.4933 8.4120 125.5006 55.4410 30.9315 176.8453 133 C 4.4643 8.7364 120.5896 57.3681 41.3491 173.6483 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 N 8.28 4.88 0.00 2.75 2.65 0.00 0.00 7.08 5.78 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 2 L 8.50 4.15 0.00 1.81 1.83 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.46 4.08 0.00 1.78 1.73 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.94 4.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.22 0.00 5 F 8.36 4.47 0.00 3.53 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 6 N 8.18 4.07 0.00 2.94 2.82 0.00 0.00 7.02 7.19 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 7 K 7.95 4.10 0.00 2.12 1.95 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 M 8.39 4.06 0.00 2.06 2.34 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.32 0.00 9 I 7.86 3.55 1.76 0.00 0.00 -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 0.90 0.31 0.45 0.00 0.00 10 K 7.77 4.84 0.00 1.89 2.01 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.35 7.81 *12 E 7.98 4.25 0.00 2.22 2.05 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 2.25 2.37 0.00 13 E 8.33 4.37 0.00 2.03 1.98 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 2.47 2.37 0.00 14 T 7.93 4.22 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 1.25 0.00 0.00 15 G 8.31 3.80 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 0.00 0.00 0.00 16 K 7.82 4.32 0.00 1.65 1.53 0.00 0.73 0.00 0.00 1.20 0.00 0.00 2.64 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 N 8.36 5.24 0.00 2.95 2.78 0.00 0.00 6.76 7.35 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 18 A 8.65 4.18 1.23 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 0.00 0.00 0.00 19 I 7.50 4.73 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.93 0.00 0.00 20 P 0.00 4.40 0.00 2.15 2.54 0.00 3.43 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 1.26 1.84 0.00 21 F 6.32 4.40 0.00 3.04 2.23 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 0.00 22 Y 8.64 4.64 0.00 2.66 2.55 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 23 A 7.75 3.83 0.38 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 24 F 7.39 5.21 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 25 Y 8.73 5.15 0.00 2.90 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 26 G 7.05 3.47 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 0.00 27 C 10.77 4.95 0.00 2.66 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 28 Y 8.36 4.57 0.00 3.38 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 29 C 7.98 4.66 0.00 3.48 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 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 31 G 8.74 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 32 G 9.51 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 33 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 34 N 7.18 4.61 0.00 2.61 2.68 0.00 0.00 7.57 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 35 G 8.37 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 0.00 0.00 0.00 36 K 8.16 4.67 0.00 1.62 1.62 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.30 7.81 37 P 0.00 4.34 0.00 1.94 1.93 0.00 3.58 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.40 0.00 38 K 8.92 3.75 0.00 1.33 0.79 0.00 1.22 0.00 0.00 0.70 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.38 7.81 39 D 7.64 4.37 0.00 2.89 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 40 G 8.97 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 0.00 0.00 0.00 41 T 7.98 4.21 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 0.97 0.00 0.00 42 D 8.65 4.56 0.00 2.97 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 43 R 8.80 3.92 0.00 2.03 2.07 0.00 3.13 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 1.65 1.73 0.00 44 C 8.19 4.11 0.00 2.85 2.34 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 45 C 8.36 4.38 0.00 3.40 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 46 F 8.45 3.92 0.00 2.43 2.99 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 47 V 7.74 2.99 1.99 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 0.73 0.00 0.00 0.89 0.00 0.00 48 H 8.16 3.76 0.00 3.04 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.61 4.21 0.00 2.87 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 50 C 7.77 4.11 0.00 2.59 2.83 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 51 C 8.22 4.20 0.00 2.81 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 52 Y 7.82 4.45 0.00 2.94 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 53 G 7.76 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 54 R 7.72 4.06 0.00 1.99 1.99 0.00 3.07 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 L 7.94 4.56 0.00 1.57 1.58 0.91 1.12 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 56 V 7.47 3.60 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 0.83 0.00 0.00 0.94 0.00 0.00 *59 N 7.89 4.72 0.00 2.79 2.85 0.00 0.00 7.59 7.66 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 *61 C 7.85 5.31 0.00 2.91 2.99 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 *67 N 8.48 4.91 0.00 2.71 2.72 0.00 0.00 7.40 7.22 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 68 T 7.84 3.53 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 0.81 0.00 0.00 69 K 7.94 4.25 0.00 2.02 2.16 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.49 7.81 70 S 9.34 4.24 0.00 3.87 3.92 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 71 D 7.56 4.26 0.00 2.70 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 72 I 8.14 4.26 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.93 0.83 0.00 0.00 73 Y 8.34 4.97 0.00 2.95 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 74 S 8.67 5.06 0.00 3.99 4.09 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 75 Y 8.42 5.36 0.00 3.12 3.10 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 76 S 8.92 4.60 0.00 3.75 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 0.00 77 L 7.97 5.02 0.00 1.62 1.59 1.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.93 4.26 0.00 1.87 1.71 0.00 1.87 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.49 1.47 7.81 79 E 9.68 3.80 0.00 2.08 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 0.00 2.26 2.37 0.00 80 G 8.10 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 81 Y 8.77 4.55 0.00 2.92 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 82 I 7.86 4.28 1.67 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.06 0.95 0.00 0.00 83 T 8.68 4.65 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 1.29 0.00 0.00 84 C 8.67 5.20 0.00 2.79 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 85 G 8.95 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 0.00 0.00 0.00 86 K 8.65 4.53 0.00 2.00 1.97 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *88 G 8.15 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 0.00 0.00 0.00 0.00 89 T 8.25 4.66 4.25 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 1.22 0.00 0.00 90 N 8.68 4.32 0.00 2.76 2.88 0.00 0.00 6.94 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 91 C 8.12 4.27 0.00 3.00 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 92 E 7.67 4.03 0.00 2.37 2.10 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 2.54 2.65 0.00 93 E 9.09 3.86 0.00 1.99 2.14 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 2.32 2.35 0.00 94 Q 8.55 3.91 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 95 I 8.10 3.70 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.86 0.99 0.00 0.00 96 C 7.73 3.02 0.00 2.22 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 97 E 8.24 3.62 0.00 2.05 1.88 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 2.23 2.49 0.00 98 C 7.99 4.08 0.00 3.18 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 99 D 7.99 3.48 0.00 2.68 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 0.00 100 R 7.82 3.87 0.00 1.85 2.01 0.00 2.61 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 101 V 7.22 3.43 1.90 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 0.88 0.00 0.00 0.89 0.00 0.00 102 A 7.55 3.43 1.03 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 0.00 103 A 8.48 4.06 1.46 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 0.00 0.00 104 E 8.45 3.85 0.00 1.96 2.05 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 2.24 2.29 0.00 105 C 7.88 4.08 0.00 2.80 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 0.00 106 F 7.98 4.48 0.00 3.03 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 0.00 107 R 7.86 3.98 0.00 1.90 2.11 0.00 3.09 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 108 R 8.00 3.95 0.00 2.03 1.96 0.00 3.43 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 109 N 8.01 4.93 0.00 3.03 2.92 0.00 0.00 6.83 6.03 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 0.00 110 L 7.52 4.03 0.00 1.54 1.77 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.13 4.77 0.00 2.85 2.83 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 0.00 112 T 8.29 4.73 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 1.27 0.00 0.00 113 Y 8.20 4.10 0.00 3.11 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 0.00 114 N 9.76 5.16 0.00 2.76 2.76 0.00 0.00 6.97 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 0.00 115 N 9.29 4.52 0.00 2.86 2.98 0.00 0.00 6.93 7.95 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 0.00 116 G 8.04 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 0.00 0.00 0.00 117 Y 7.73 4.55 0.00 2.17 1.62 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 0.00 118 M 8.05 4.15 0.00 1.63 1.93 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.04 0.00 119 F 8.14 3.83 0.00 3.24 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 0.00 120 Y 8.16 4.17 0.00 2.99 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 0.00 121 R 8.28 3.84 0.00 1.61 1.69 0.00 3.07 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 122 D 8.60 4.61 0.00 2.79 2.70 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 *124 S 7.92 4.43 0.00 3.96 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 0.00 125 K 7.42 4.09 0.00 1.58 1.85 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.16 7.81 126 C 7.58 4.75 0.00 3.11 3.19 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 0.00 127 T 7.30 4.29 4.25 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 1.31 0.00 0.00 128 E 7.43 4.79 0.00 1.85 1.83 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 2.30 2.27 0.00 129 T 8.47 4.27 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 0.00 130 S 8.91 4.39 0.00 3.81 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 0.00 131 E 9.40 3.99 0.00 1.54 1.12 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 1.47 2.08 0.00 132 E 8.41 4.49 0.00 1.98 1.87 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 2.29 2.43 0.00 133 C 8.74 4.46 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.