NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3548 0.0000 0.0000 62.3411 32.8086 175.7607 3 S 4.3315 8.3586 118.9649 57.8073 63.8627 170.9490 4 Y 5.2978 9.2986 122.0724 56.4373 42.1026 174.2914 5 R 4.9990 9.5938 121.6710 54.4360 35.2560 174.3596 6 V 4.9120 8.3232 119.3595 59.9854 34.2050 174.9642 7 K 4.4747 8.6179 122.8527 54.6068 35.9160 175.4835 8 R 5.5186 8.6225 124.5350 53.6283 28.7397 174.3472 9 M 4.7656 7.9531 118.9488 53.4385 34.8300 174.4005 10 D 4.4014 8.7089 119.2017 54.4972 41.8387 177.0980 11 I 3.2633 8.5254 126.3931 63.5374 38.3017 177.3047 12 A 4.0945 8.3757 122.3825 54.0632 18.1820 177.9935 13 K 4.4596 7.6577 114.3593 55.7902 32.3701 176.3522 14 N 4.7160 8.0737 116.8302 52.8232 37.3616 173.8591 15 D 4.9683 8.7286 116.9061 54.1967 41.8211 175.1126 16 E 4.7749 9.0152 117.1484 54.0091 32.0537 176.2825 17 E 4.4232 8.6374 118.0934 57.5587 29.8522 176.6609 18 C 3.8078 7.2401 113.9994 57.1767 33.3872 173.1072 19 V 4.7370 7.4854 118.9912 59.8461 34.3720 174.5213 20 V 4.6593 8.2202 123.6026 61.3742 32.4417 174.9444 21 N 4.4631 8.8281 128.0259 53.5573 40.0139 174.3807 22 A 4.6174 8.6229 128.6034 51.2179 17.1463 176.2966 23 A 4.7154 8.5279 124.3850 50.3479 21.6925 175.8966 24 N 5.4034 8.4583 114.2413 50.5246 40.8441 173.8855 25 P 5.1039 0.0000 0.0000 63.7749 31.7176 177.1556 26 R 4.3730 8.2120 118.4700 55.3185 30.1881 175.5466 27 G 4.0870 7.9530 104.3322 46.9045 0.0000 173.5092 28 L 4.6409 8.2280 117.2601 52.1567 43.8063 175.7383 29 P 3.3180 0.0000 0.0000 64.8903 31.5839 177.8752 30 G 3.8554 7.8305 104.9481 45.1593 0.0000 169.9269 31 D 4.6755 7.7201 117.3017 54.2775 45.2530 177.0624 32 G 3.7368 8.4200 108.1401 46.6480 0.0000 175.9287 33 V 3.6173 8.5585 120.7932 66.0937 31.3103 176.7439 34 C 4.4081 8.1616 119.1706 61.8892 31.2145 174.9604 35 K 3.7711 7.7705 120.5377 59.8466 31.7716 178.1178 36 A 3.9903 7.8212 120.5443 55.3505 18.2933 179.8215 37 V 4.0582 8.1965 116.4978 66.5384 31.5103 177.5913 38 Y 3.9613 8.5277 118.3372 60.6676 38.6011 177.8771 39 K 3.8449 8.0020 118.3702 59.0111 32.1732 178.6785 40 K 3.7529 7.5199 118.1552 57.1120 33.6301 176.9244 41 W 5.1544 8.4778 117.9352 54.6622 29.8130 174.3528 42 P 4.1430 0.0000 0.0000 65.8496 31.2967 179.1353 43 E 4.2293 8.4079 118.3212 58.8887 29.4525 178.5795 44 S 4.4177 8.3194 111.7870 59.8455 63.2563 174.5335 45 F 4.3967 8.6842 120.2637 57.2115 38.7059 175.2491 46 K 4.1771 7.8671 123.4052 56.7012 32.3364 176.8590 47 N 4.1307 8.7559 126.2577 54.4704 36.0238 174.8700 48 S 4.0411 7.8451 110.2569 59.3539 63.3169 173.3291 49 A 4.1843 7.8440 122.0291 53.2047 18.5531 176.7372 50 T 4.6727 8.1423 114.1058 59.7684 71.2050 171.6724 51 P 4.7011 0.0000 0.0000 61.9098 32.8127 176.1848 52 V 3.4411 8.2763 121.6135 64.7920 31.7381 176.6185 53 G 3.9282 8.8910 113.6368 45.3244 0.0000 172.4466 54 T 4.8674 7.5464 108.6283 59.6311 72.8621 172.4587 55 A 5.2015 8.3692 121.6857 50.1323 22.2867 175.4592 56 K 4.4770 9.0789 122.7939 54.9029 35.4933 174.8994 57 T 4.8489 8.5686 124.2635 62.3490 69.8065 174.2648 58 V 4.4405 8.5711 126.5163 61.1171 34.6618 174.4361 59 M 4.6415 8.7045 127.2074 55.2075 33.1854 175.6147 60 C 4.6169 9.5394 124.5026 58.2253 33.3942 175.6963 61 G 3.9889 8.8174 121.0153 47.1638 0.0000 173.0883 62 T 4.3813 9.1209 111.4193 61.0992 69.5015 173.1414 63 Y 4.3852 8.3380 125.8976 56.3515 40.1460 172.5596 64 P 4.4692 0.0000 0.0000 61.9627 33.0119 175.2729 65 V 4.0927 8.4910 125.8687 61.3122 33.1747 174.9793 66 I 4.2286 8.9296 131.8603 60.4196 37.7807 175.1595 67 H 4.6697 9.2047 126.4170 55.0682 29.3489 174.1624 68 A 4.9004 8.5691 126.4961 50.1675 21.3443 175.8646 69 V 4.1987 8.5090 124.1806 61.4904 31.7306 176.0503 70 G 4.0692 8.4953 116.7448 43.9246 0.0000 169.8163 71 P 4.1321 0.0000 0.0000 61.9864 32.2383 175.6864 72 N 4.3377 7.7665 119.0027 52.3052 38.5701 175.6245 73 F 4.2110 9.5053 125.6715 59.0799 39.5136 177.1556 74 S 4.1993 8.3320 117.4779 60.8839 62.8191 173.6078 75 N 4.4795 7.9739 118.7201 51.9286 38.0955 174.7197 *77 S 4.1960 8.2858 117.7354 57.6620 64.0854 174.5088 78 E 3.9789 8.9648 123.5562 58.5019 30.2148 177.0179 *80 E 4.3474 8.2599 118.6432 56.6654 31.4877 177.7641 81 G 3.1744 7.6742 105.2136 47.0245 0.0000 175.1969 82 D 4.5108 8.1960 119.8782 57.6609 41.2464 178.6633 83 R 3.9896 7.9850 117.8064 59.2715 30.0102 178.7616 84 E 4.0116 8.1189 118.5446 58.8195 29.4383 178.9452 85 L 3.8346 8.5885 120.9593 58.1256 42.1318 178.6576 86 A 4.3059 8.4114 120.5592 55.3952 18.2859 179.5198 87 A 3.9164 8.1288 118.7236 55.3710 18.5262 179.2632 88 A 3.9634 8.2570 119.5786 55.7163 18.3669 179.0317 89 Y 4.4234 7.9063 114.3202 61.6523 38.0876 179.1651 90 R 3.9839 8.3643 118.7011 59.9146 30.2186 178.7184 91 E 3.9733 8.4245 117.7874 59.5251 29.4006 179.9480 92 V 3.5437 7.9122 117.9670 66.0047 31.6452 177.7919 93 A 4.0330 8.2277 120.6228 55.0747 18.0950 179.5916 94 K 3.8565 8.2506 117.9420 59.7369 32.3264 178.8233 95 E 3.8894 8.3155 118.9857 59.4235 29.1317 179.2935 96 V 3.5310 8.3101 118.4530 66.5030 31.5042 178.2257 97 T 3.7446 8.0295 115.0370 66.8064 68.1815 176.6040 98 R 3.9052 8.2841 119.2955 59.2615 29.9432 177.5767 99 L 4.3469 7.6689 116.9711 54.4233 42.3356 177.8301 100 G 3.9357 7.8473 105.1562 44.8508 0.0000 174.0248 101 V 3.8407 6.7122 112.8798 61.8394 32.0159 176.1688 102 N 4.6184 9.2256 120.2809 55.1462 38.9951 175.5294 103 S 5.0025 7.5425 110.5604 57.1972 66.3775 174.3288 104 V 4.6102 8.4934 120.2685 60.5138 34.8922 173.2411 105 A 5.2296 8.9828 128.0124 51.1491 20.2985 175.8152 106 I 5.0053 9.3136 123.3108 58.7449 41.4394 173.0121 107 P 5.0357 0.0000 0.0000 61.6318 33.8087 176.5047 108 L 4.5536 8.3680 121.1643 52.8118 40.1286 176.6537 109 L 4.1418 7.7936 121.6614 56.2510 42.1118 178.1252 110 S 4.5637 9.0268 114.6403 59.1245 60.7465 169.7514 111 T 4.9831 7.4608 110.5645 60.9256 72.2867 175.4882 112 G 3.7139 8.3820 110.6376 47.5002 0.0000 176.5708 113 V 3.9622 8.5393 117.3912 62.7751 31.5933 175.9320 114 Y 4.9649 8.1479 118.0681 58.3933 38.5265 177.3027 115 S 4.2573 7.8013 114.8591 58.4736 63.4644 175.5703 116 G 4.2115 8.6600 108.6493 45.9297 0.0000 173.9748 117 G 3.9942 8.2648 104.7513 45.1487 0.0000 174.4165 118 K 4.4923 7.8350 114.5296 54.7750 37.1455 176.3678 119 D 4.4367 8.8282 123.1871 54.3346 39.4895 176.3288 120 R 4.4216 8.4896 120.7826 55.2138 31.6386 176.7757 121 L 3.5643 7.3597 121.2465 58.9236 41.7146 179.4645 122 T 3.7591 7.5414 114.6910 66.3468 68.5701 176.4216 123 Q 3.8883 7.8560 121.0267 59.6142 29.2475 177.5144 124 S 4.2344 8.7037 114.3045 61.4777 62.3843 175.5849 125 L 3.4811 8.3286 122.8116 58.4631 41.8321 179.2664 126 N 4.4968 7.9600 115.5857 56.3690 38.6403 177.0774 127 H 4.1540 8.1933 117.2734 59.4197 28.7552 176.7107 128 L 2.8143 7.6904 121.7891 57.1952 41.3572 178.9819 129 F 4.0667 7.6941 118.4374 60.9173 38.8895 178.5592 130 T 4.0073 7.4325 113.7461 66.6970 68.6567 176.7286 131 A 4.1906 8.3406 123.0654 55.1854 18.3491 178.8731 132 M 4.3563 8.8434 115.9177 56.6509 32.0698 177.3679 133 D 4.8581 7.7143 117.3528 55.0058 41.2809 177.2224 134 S 4.6100 7.6561 114.9777 57.4596 63.9351 174.9345 135 T 3.6875 7.9363 114.0421 63.6536 67.4206 174.9228 *138 D 4.6320 9.0932 123.7683 52.5151 43.4001 177.2175 139 V 4.2713 7.7787 120.7135 62.0674 32.8602 175.0991 140 V 4.8318 8.6961 127.9571 61.1608 34.2092 174.2439 141 I 4.7301 9.2794 130.9936 61.0785 38.5623 174.5168 142 Y 5.0155 9.3600 125.5912 56.4644 40.4628 174.8146 143 C 5.0429 9.1079 118.1500 57.1537 33.5255 174.6154 144 R 4.3948 8.5782 114.6611 56.0627 32.6179 176.2795 145 D 4.6443 7.7408 117.1169 52.7505 42.8655 176.6063 146 K 3.9365 8.6714 126.6994 59.9015 32.2891 178.8648 147 E 4.1840 8.7083 118.6003 58.2999 29.5759 178.5365 148 W 4.1886 8.7090 119.0518 59.7240 29.1775 177.7000 149 E 4.0480 8.3318 118.9095 59.2521 28.8746 179.1039 150 K 4.0359 7.6564 117.4537 59.2550 32.1825 179.3797 151 K 4.0892 8.3261 118.1350 59.5178 32.1230 179.0114 152 I 3.8109 7.8720 119.0257 64.3984 37.1785 176.6281 153 S 4.4694 7.8527 116.5860 58.5094 62.4156 173.3743 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 2 P 0.00 4.35 0.00 1.72 1.89 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.28 0.00 3 S 8.36 4.33 0.00 3.90 3.67 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 4 Y 9.30 5.30 0.00 3.03 2.90 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 0.00 0.00 0.00 0.00 5 R 9.59 5.00 0.00 1.66 1.75 0.00 3.08 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 1.56 1.57 0.00 6 V 8.32 4.91 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 0.81 0.00 0.00 0.97 0.00 0.00 7 K 8.62 4.47 0.00 1.15 1.59 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.20 1.00 7.81 8 R 8.62 5.52 0.00 2.02 1.86 0.00 3.23 0.00 0.00 4.01 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 9 M 7.95 4.77 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.71 0.00 10 D 8.71 4.40 0.00 2.71 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 11 I 8.53 3.26 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.98 0.00 0.00 12 A 8.38 4.09 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 13 K 7.66 4.46 0.00 1.95 1.83 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.27 7.81 14 N 8.07 4.72 0.00 2.71 2.62 0.00 0.00 6.64 7.62 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 15 D 8.73 4.97 0.00 2.69 2.74 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 16 E 9.02 4.77 0.00 2.25 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 0.00 2.34 2.37 0.00 17 E 8.64 4.42 0.00 1.84 1.97 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 2.39 2.29 0.00 18 C 7.24 3.81 0.00 2.72 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 19 V 7.49 4.74 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 -0.17 0.00 0.00 0.83 0.00 0.00 20 V 8.22 4.66 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 0.77 0.00 0.00 0.92 0.00 0.00 21 N 8.83 4.46 0.00 2.64 2.55 0.00 0.00 6.64 8.12 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 22 A 8.62 4.62 1.22 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 23 A 8.53 4.72 1.28 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 0.00 0.00 24 N 8.46 5.40 0.00 2.96 3.00 0.00 0.00 5.72 7.76 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 25 P 0.00 5.10 0.00 2.24 2.44 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 26 R 8.21 4.37 0.00 1.81 2.04 0.00 3.40 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 27 G 7.95 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 0.00 0.00 0.00 28 L 8.23 4.64 0.00 1.75 1.53 0.92 1.16 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 29 P 0.00 3.32 0.00 1.66 1.31 0.00 3.54 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.00 30 G 7.83 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 31 D 7.72 4.68 0.00 2.63 2.47 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 32 G 8.42 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 33 V 8.56 3.62 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 1.12 0.00 0.00 0.97 0.00 0.00 34 C 8.16 4.41 0.00 3.06 3.14 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 35 K 7.77 3.77 0.00 1.74 2.10 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 36 A 7.82 3.99 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 37 V 8.20 4.06 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 1.36 0.00 0.00 1.23 0.00 0.00 38 Y 8.53 3.96 0.00 2.01 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 39 K 8.00 3.84 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.57 7.81 40 K 7.52 3.75 0.00 1.12 0.76 0.00 0.99 0.00 0.00 1.11 0.00 0.00 2.70 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.21 7.81 41 W 8.48 5.15 0.00 3.54 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 42 P 0.00 4.14 0.00 2.00 1.60 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 43 E 8.41 4.23 0.00 2.20 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 2.45 2.42 0.00 44 S 8.32 4.42 0.00 4.17 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 45 F 8.68 4.40 0.00 3.44 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 46 K 7.87 4.18 0.00 1.94 1.78 0.00 1.97 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.46 7.81 47 N 8.76 4.13 0.00 2.83 2.80 0.00 0.00 7.13 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 48 S 7.85 4.04 0.00 3.63 3.73 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 49 A 7.84 4.18 1.28 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 0.00 0.00 50 T 8.14 4.67 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 1.19 0.00 0.00 51 P 0.00 4.70 0.00 2.10 1.93 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 52 V 8.28 3.44 2.03 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 0.68 0.00 0.00 0.88 0.00 0.00 53 G 8.89 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 54 T 7.55 4.87 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 1.24 0.00 0.00 55 A 8.37 5.20 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 0.00 0.00 56 K 9.08 4.48 0.00 1.76 1.58 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.36 7.81 57 T 8.57 4.85 4.31 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 1.11 0.00 0.00 58 V 8.57 4.44 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 1.12 0.00 0.00 0.89 0.00 0.00 59 M 8.70 4.64 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 60 C 9.54 4.62 0.00 3.12 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 61 G 8.82 3.99 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 0.00 62 T 9.12 4.38 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 1.24 0.00 0.00 63 Y 8.34 4.39 0.00 3.11 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 64 P 0.00 4.47 0.00 1.82 1.77 0.00 2.76 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 65 V 8.49 4.09 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 0.61 0.00 0.00 0.55 0.00 0.00 66 I 8.93 4.23 1.76 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.86 0.00 0.00 67 H 9.20 4.67 0.00 3.09 3.16 0.00 5.59 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 68 A 8.57 4.90 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 69 V 8.51 4.20 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 0.99 0.00 0.00 1.03 0.00 0.00 70 G 8.50 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 71 P 0.00 4.13 0.00 1.61 1.77 0.00 3.72 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 72 N 7.77 4.34 0.00 1.44 2.14 0.00 0.00 7.07 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 73 F 9.51 4.21 0.00 3.19 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 74 S 8.33 4.20 0.00 3.90 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 75 N 7.97 4.48 0.00 2.71 2.67 0.00 0.00 6.98 8.29 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 *77 S 8.29 4.20 0.00 4.03 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 78 E 8.96 3.98 0.00 2.00 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 2.35 2.50 0.00 *80 E 8.26 4.35 0.00 2.04 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 0.00 2.22 2.29 0.00 81 G 7.67 3.17 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 D 8.20 4.51 0.00 2.93 2.77 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 0.00 0.00 0.00 83 R 7.99 3.99 0.00 2.05 1.97 0.00 3.18 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 84 E 8.12 4.01 0.00 1.86 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 2.63 2.33 0.00 85 L 8.59 3.83 0.00 1.95 1.71 1.09 0.98 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 86 A 8.41 4.31 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 3.92 1.44 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 0.00 0.00 88 A 8.26 3.96 1.28 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 0.00 0.00 89 Y 7.91 4.42 0.00 3.13 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 90 R 8.36 3.98 0.00 2.03 2.05 0.00 3.34 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 91 E 8.42 3.97 0.00 2.13 2.02 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 2.59 2.48 0.00 92 V 7.91 3.54 2.36 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 1.08 0.00 0.00 0.96 0.00 0.00 93 A 8.23 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 3.86 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.47 7.81 95 E 8.32 3.89 0.00 2.11 1.94 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 2.48 2.44 0.00 96 V 8.31 3.53 2.27 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 1.00 0.00 0.00 0.96 0.00 0.00 97 T 8.03 3.74 4.44 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 1.20 0.00 0.00 98 R 8.28 3.91 0.00 1.73 2.15 0.00 3.23 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 99 L 7.67 4.35 0.00 1.76 1.63 0.81 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 100 G 7.85 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 0.00 0.00 0.00 101 V 6.71 3.84 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 0.61 0.00 0.00 0.94 0.00 0.00 102 N 9.23 4.62 0.00 3.04 2.86 0.00 0.00 6.74 7.11 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 0.00 103 S 7.54 5.00 0.00 3.93 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 0.00 104 V 8.49 4.61 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 0.68 0.00 0.00 0.91 0.00 0.00 105 A 8.98 5.23 1.34 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 0.00 0.00 106 I 9.31 5.01 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 1.04 0.00 0.00 107 P 0.00 5.04 0.00 2.20 2.14 0.00 3.92 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.15 0.00 108 L 8.37 4.55 0.00 2.01 1.86 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.79 4.14 0.00 1.39 1.59 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 110 S 9.03 4.56 0.00 4.20 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 0.00 111 T 7.46 4.98 4.68 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 1.54 0.00 0.00 112 G 8.38 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 0.00 0.00 0.00 113 V 8.54 3.96 2.18 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 0.76 0.00 0.00 0.91 0.00 0.00 114 Y 8.15 4.96 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 0.00 115 S 7.80 4.26 0.00 4.40 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 0.00 116 G 8.66 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 0.00 117 G 8.26 3.99 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 0.00 118 K 7.84 4.49 0.00 1.94 1.59 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 119 D 8.83 4.44 0.00 2.76 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 0.00 120 R 8.49 4.42 0.00 1.91 1.76 0.00 2.80 0.00 0.00 2.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 121 L 7.36 3.56 0.00 0.53 1.18 0.17 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.54 3.76 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 1.17 0.00 0.00 123 Q 7.86 3.89 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 124 S 8.70 4.23 0.00 4.15 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 0.00 125 L 8.33 3.48 0.00 1.63 1.60 0.24 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.96 4.50 0.00 2.95 2.90 0.00 0.00 6.97 9.25 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 0.00 127 H 8.19 4.15 0.00 3.75 3.87 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.69 2.81 0.00 1.01 1.13 0.82 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.69 4.07 0.00 3.15 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 0.00 130 T 7.43 4.01 4.42 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 1.21 0.00 0.00 131 A 8.34 4.19 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 0.00 132 M 8.84 4.36 0.00 2.03 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.67 0.00 133 D 7.71 4.86 0.00 2.78 2.77 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 0.00 0.00 0.00 134 S 7.66 4.61 0.00 3.98 3.99 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 0.00 135 T 7.94 3.69 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 1.20 0.00 0.00 *138 D 9.09 4.63 0.00 2.91 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 0.00 139 V 7.78 4.27 1.65 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 0.83 0.00 0.00 0.69 0.00 0.00 140 V 8.70 4.83 2.41 0.00 0.00 0.00 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 0.00 141 I 9.28 4.73 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.97 0.00 0.00 142 Y 9.36 5.02 0.00 2.93 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 0.00 143 C 9.11 5.04 0.00 3.06 3.16 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 0.00 144 R 8.58 4.39 0.00 1.69 1.94 0.00 3.39 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 145 D 7.74 4.64 0.00 2.46 2.20 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 0.00 146 K 8.67 3.94 0.00 1.85 1.89 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.47 7.81 147 E 8.71 4.18 0.00 2.17 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 0.00 2.35 2.43 0.00 148 W 8.71 4.19 0.00 3.58 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 0.00 149 E 8.33 4.05 0.00 2.14 2.26 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 2.34 2.38 0.00 150 K 7.66 4.04 0.00 1.87 1.88 0.00 1.68 0.00 0.00 2.01 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 151 K 8.33 4.09 0.00 1.76 1.72 0.00 1.42 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.55 7.81 152 I 7.87 3.81 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.81 0.94 0.00 0.00 153 S 7.85 4.47 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.