NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4484 8.3049 118.1931 54.6772 32.4562 175.1466 2 R 4.1396 8.4235 122.8423 55.4658 31.0187 175.0217 3 L 4.2390 8.2469 123.4443 54.8071 42.7464 176.8528 4 C 4.6131 8.7106 118.6994 57.6166 31.3941 174.1389 5 D 4.3833 9.2140 120.3754 57.0739 38.5880 179.0014 6 R 3.9141 8.0518 119.8155 59.1959 29.9844 178.0245 7 D 4.5579 8.1271 117.9440 57.0158 40.8447 178.6678 8 I 3.5712 7.7675 120.6831 64.3858 37.0975 177.8858 9 E 3.9195 8.0842 119.1318 59.6297 29.3669 179.5796 10 A 4.0052 8.1523 120.2157 55.2710 18.5793 179.7467 11 W 4.1991 8.8388 117.5816 59.7367 29.0249 178.9420 12 L 4.3308 7.8941 120.4735 57.4025 40.9249 179.1121 13 D 4.4156 8.2218 117.9551 57.2538 40.8609 177.9772 14 E 4.2156 8.6172 116.5431 56.2327 29.5344 177.5897 15 G 3.9153 7.4954 106.6321 46.1967 0.0000 174.7973 16 R 4.3102 7.9552 119.9714 56.9342 31.0050 176.7486 17 L 4.9026 7.9397 119.9550 53.0664 45.7494 175.1663 18 S 4.7864 9.0916 119.5722 56.5225 66.1492 172.5982 19 I 4.8878 8.4031 126.3830 59.7144 40.5814 173.5943 20 N 5.2915 8.9428 127.0840 50.7798 41.0533 172.2822 21 P 4.7345 0.0000 0.0000 62.3673 32.6574 176.0807 22 R 4.6557 8.6665 121.4495 54.9706 30.6755 174.3087 23 P 4.5032 0.0000 0.0000 61.3376 32.6310 174.3402 24 P 4.5491 0.0000 0.0000 62.1185 32.5578 177.1733 25 V 3.6488 8.2953 116.9580 65.9231 31.6881 177.5050 26 E 3.9423 8.3990 118.5028 59.4273 29.4242 177.9493 27 R 4.6651 7.9309 114.7541 54.9893 30.1726 175.5509 28 I 4.9507 7.5310 119.2677 59.7436 39.1957 174.7489 29 N 5.1138 8.9786 122.2234 52.3844 44.0610 176.3342 30 G 4.0519 9.5192 110.2560 46.4150 0.0000 174.3607 31 A 5.0793 8.8841 115.5459 51.3860 21.8947 177.7938 32 T 4.8522 8.5327 107.5906 61.2211 72.9766 172.8172 33 V 4.7751 8.8872 123.5062 61.1664 33.4744 174.7561 34 D 4.9534 9.1952 129.1209 54.7242 41.7948 175.9667 35 V 4.6885 8.7222 116.2005 59.7789 35.2724 175.1683 36 R 5.0779 9.4783 121.9350 54.4250 33.3340 175.1134 37 L 4.4382 8.7766 123.3904 55.0629 43.2902 177.0374 38 G 4.1671 8.8036 114.7937 45.1768 0.0000 172.5009 39 N 5.3760 8.3329 115.0456 52.7050 40.0036 175.8394 40 K 5.0770 7.4674 116.6946 55.1031 36.7586 176.0063 41 F 5.4182 9.4363 123.1435 55.8709 43.5011 174.1650 42 R 5.1636 9.2179 118.1930 55.2152 35.0782 174.4308 43 T 5.2174 8.6937 111.0760 60.2536 72.8689 172.0621 44 F 5.0179 9.0528 119.1183 56.0162 40.9836 176.7594 45 R 4.6255 9.6699 122.2185 53.5401 30.0855 176.2551 46 G 3.9180 8.7416 112.5307 48.3615 0.0000 172.9145 47 H 4.3171 8.1707 114.4627 58.1963 28.6309 176.2831 48 T 4.1690 7.6133 108.1440 62.4091 69.3183 174.2404 49 A 4.5928 7.8628 124.2017 50.7254 22.3526 176.0395 50 A 4.3052 8.5729 124.2790 54.5764 19.1891 177.1745 51 F 4.8123 7.1545 107.7809 56.4531 40.3566 172.8658 52 I 4.2072 8.3437 121.0987 59.4324 39.0431 175.2459 53 D 4.7258 8.5523 125.6645 52.8302 39.7557 175.5656 54 L 4.0775 8.1184 128.4021 55.5227 42.2996 177.1875 55 S 3.7478 7.4653 113.6458 58.4729 64.0971 173.4254 56 G 3.7139 8.9698 109.1446 43.3102 0.0000 171.8440 57 P 4.3660 0.0000 0.0000 62.7679 33.1100 177.9765 58 K 4.1083 8.6113 120.2227 59.3886 32.0422 179.4604 59 D 4.5623 7.9918 120.5446 55.4336 39.6461 177.7064 60 E 4.3299 7.9164 118.4227 57.5040 29.6320 178.6848 61 V 3.6051 7.6176 118.7216 65.9935 31.6991 177.8021 62 S 4.2619 7.7695 112.5025 61.3557 62.7207 176.1830 63 A 4.0351 8.3871 123.7920 53.7095 19.2505 178.6881 64 A 4.7207 7.6145 119.1283 50.6848 16.7669 176.7879 65 L 4.7672 7.2499 117.9797 55.4613 41.9563 178.2938 66 D 4.3892 8.3028 119.2959 57.0992 42.5595 177.5952 67 R 4.0606 8.0050 116.2537 59.5957 30.2001 178.4907 68 V 4.1066 7.6286 110.2279 63.3762 32.8138 175.8539 69 M 4.5714 7.2997 120.2053 53.7267 32.7554 176.9068 70 S 4.3635 8.8258 118.6578 58.1980 64.0437 173.8163 71 D 4.5568 8.4788 120.4608 53.7206 41.3275 175.9006 72 E 4.2615 8.5803 122.1547 56.7003 30.4121 175.8077 73 I 4.5311 8.7058 127.8482 59.6918 39.5212 174.6152 74 V 4.9163 8.3901 127.0347 60.1622 33.4911 174.5605 75 L 4.5726 9.1866 129.1006 53.5572 42.2682 176.8702 76 D 4.4634 9.1929 124.4539 54.0093 41.4430 176.0051 77 E 3.8309 8.7130 122.8444 58.1267 29.9974 177.9508 78 G 3.9546 8.8218 108.2659 45.7682 0.0000 173.1281 79 E 4.5924 7.7008 118.0610 54.3620 31.5518 175.4438 80 A 4.6310 8.2178 124.1305 50.6523 21.3975 175.7912 81 F 4.3679 8.7845 121.8962 56.4696 41.7274 173.9321 82 Y 4.6369 7.8047 123.9663 56.5868 39.1165 174.8631 83 L 4.5667 8.7092 128.2974 53.9293 43.3909 175.4005 84 H 4.8705 8.6529 123.8658 54.1341 30.7156 173.2664 85 P 4.0923 0.0000 0.0000 65.1085 31.2413 176.8563 86 G 3.7979 8.8032 112.5800 44.8267 0.0000 172.5668 87 E 4.5780 8.1024 119.9938 55.1885 31.4614 174.8498 88 L 5.5144 8.6587 124.7866 53.5853 44.0297 175.1897 89 A 5.3190 9.3044 126.6381 50.3839 23.4274 174.2926 90 L 5.0788 8.9774 118.8819 53.2810 44.8310 176.1951 91 A 4.5390 8.7536 123.5052 50.2436 22.9192 174.6985 92 V 4.8483 7.6317 113.3331 60.2113 34.8636 174.9226 93 T 4.3382 8.5265 114.2439 61.9583 68.8792 174.2432 94 L 4.1283 8.6106 126.6052 58.4133 42.6260 177.4993 95 E 4.4304 8.0690 117.1164 56.2095 30.3443 176.8313 96 S 4.7379 9.1905 119.0710 58.0487 64.5018 173.0406 97 V 4.9696 8.7437 124.0174 61.7538 35.1171 173.7949 98 T 5.0478 9.6742 125.3357 61.8989 71.3401 172.8821 99 L 5.1015 8.8578 127.1848 52.3558 44.6334 175.0731 100 P 4.9035 0.0000 0.0000 62.0824 33.4268 176.2780 101 A 4.5015 8.8203 119.8380 52.9910 19.4307 177.8850 102 D 5.2338 8.0762 115.5248 52.5263 40.8097 174.9607 103 L 5.3208 8.1411 118.7807 54.3497 46.1209 174.8995 104 V 4.6946 8.9234 124.9265 59.8983 34.4058 174.6694 105 G 4.1898 9.3443 113.7880 45.2342 0.0000 172.9778 *106 W 4.9229 8.7905 125.7963 54.6070 31.4207 173.8764 107 L 4.8146 9.0707 128.9692 52.7588 42.8061 175.2510 108 D 5.0404 8.8144 126.6173 52.2800 43.6157 176.6572 109 G 4.1516 8.6013 109.6482 45.9422 0.0000 172.8453 110 R 4.3894 8.3654 118.6872 55.3275 31.2613 178.2551 111 S 4.1598 8.7042 116.8142 61.3823 62.1905 176.5380 112 S 4.2150 7.9204 115.9673 61.1906 63.2925 176.0106 113 L 4.0991 7.8864 121.9988 57.4177 41.4281 179.0116 114 A 4.6761 7.8911 121.7744 54.6427 18.0585 179.8112 115 R 3.9692 7.8125 115.2889 58.4091 30.0793 177.5496 116 L 4.4743 7.3138 116.9232 54.3506 42.1048 176.9156 117 G 4.0556 8.2037 109.5444 44.9052 0.0000 173.2256 118 L 4.2484 7.9741 121.2849 55.7612 43.1023 175.7018 119 M 4.8088 9.2486 128.5737 54.3895 33.2559 175.8411 120 V 4.7286 9.2095 124.1490 61.7158 33.4734 175.8972 121 H 3.8861 8.6945 123.0421 55.2037 28.5860 173.2561 122 V 4.1424 8.2509 127.5920 62.1817 33.9869 172.8653 123 T 4.1752 8.1798 113.7620 62.7082 67.8730 174.1830 124 A 4.7413 7.8770 122.2361 50.6456 22.0883 174.8571 125 H 4.6820 8.6315 116.3949 55.5070 31.8888 173.6273 126 R 4.7006 7.8433 119.1301 55.1740 31.1659 175.3338 127 I 4.0718 8.7389 128.2597 59.8054 38.8787 175.2142 128 D 4.9870 8.4175 127.2478 52.7581 42.7367 174.3076 129 P 4.9138 0.0000 0.0000 64.0556 31.5758 176.8171 130 G 4.3216 8.7696 111.3460 45.0491 0.0000 173.8190 131 W 4.0696 8.2012 129.8395 57.9379 31.0076 175.0308 132 S 4.3483 7.1169 118.7286 57.5090 63.8464 173.5875 133 G 3.9029 7.8053 116.3310 44.3562 0.0000 170.7533 134 C 4.7195 8.1289 117.2910 60.1254 28.7110 173.3699 135 I 4.2959 8.3870 123.0432 59.4423 38.5175 175.6405 136 V 3.9411 8.3756 127.7975 63.0382 32.3125 174.8959 137 L 4.5974 9.1991 128.0544 52.6803 44.8022 175.1543 138 A 4.9255 8.3187 124.9921 50.3927 21.0514 175.5349 139 F 5.5703 9.0388 121.7698 57.4349 41.6571 174.9865 140 Y 5.3017 8.9920 122.2633 56.4180 42.5110 173.1973 141 N 4.8094 8.4076 126.2539 52.7962 39.9627 174.8717 142 S 4.5814 8.8085 120.5387 58.1814 64.6406 174.3988 143 G 4.1629 8.3067 110.8436 44.1707 0.0000 174.0939 144 K 4.0652 8.5988 117.6656 58.9135 32.2257 177.9434 145 L 4.5916 7.4243 116.2716 52.4725 43.3467 174.4590 146 P 4.6688 0.0000 0.0000 62.7189 32.4509 175.8089 147 L 4.7694 8.6043 121.4074 52.8955 44.5994 175.5206 148 A 4.4195 8.6699 126.2325 51.1061 19.7100 176.1475 149 L 4.6662 8.5584 123.1394 52.9814 44.5807 175.8751 150 R 4.9046 8.3455 121.9140 53.3447 33.5353 173.6054 151 P 4.6790 0.0000 0.0000 64.4639 31.7998 176.0231 152 G 4.1203 8.8628 111.6229 45.5748 0.0000 174.0350 153 M 4.3321 7.9401 117.0524 55.0213 32.6023 175.9480 154 L 4.6008 8.3849 120.3053 55.0923 42.0566 176.7181 155 I 4.4569 8.6140 122.1736 60.1135 39.9118 174.4574 156 G 4.1071 7.4882 106.7277 46.8700 0.0000 171.7708 157 A 5.0700 8.7230 121.1260 50.2960 22.6965 175.1865 158 L 4.8566 8.9710 123.6478 52.9313 43.8780 176.0722 159 S 4.8625 8.5653 118.2591 56.3294 66.8828 172.9377 160 F 5.2260 8.2778 117.7261 55.7469 43.2213 173.3945 161 E 4.7655 9.1461 123.7465 53.5609 32.3479 173.1501 162 P 4.7826 0.0000 0.0000 62.7263 32.2120 176.4749 163 L 4.5897 8.6116 124.1084 53.8392 43.2284 177.9367 164 S 4.1034 8.8762 113.7055 59.8151 63.3043 173.7015 165 G 3.9865 6.9885 108.6832 44.3215 0.0000 171.1898 166 P 4.4750 0.0000 0.0000 62.0666 31.7640 176.4016 167 A 4.1567 8.9662 126.8346 52.1826 18.9148 177.8222 168 V 3.8225 8.4037 121.3362 65.0543 32.2336 176.6590 169 R 4.5931 7.5404 117.4901 53.5480 29.9211 172.4868 170 P 4.6560 0.0000 0.0000 61.6481 33.2340 176.8947 171 Y 4.0884 8.9695 119.0640 58.0925 38.6230 175.4820 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 M 8.30 4.45 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 R 8.42 4.14 0.00 1.77 1.87 0.00 3.29 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 3 L 8.25 4.24 0.00 1.46 1.48 -0.24 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.71 4.61 0.00 3.01 3.08 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 5 D 9.21 4.38 0.00 2.96 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 6 R 8.05 3.91 0.00 1.92 2.01 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 7 D 8.13 4.56 0.00 2.90 2.86 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 8 I 7.77 3.57 2.07 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.90 0.00 0.00 9 E 8.08 3.92 0.00 2.21 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 2.37 2.40 0.00 10 A 8.15 4.01 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.84 4.20 0.00 3.33 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 12 L 7.89 4.33 0.00 1.94 1.71 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.22 4.42 0.00 2.78 2.72 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 14 E 8.62 4.22 0.00 1.68 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 2.38 2.15 0.00 15 G 7.50 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 0.00 0.00 0.00 16 R 7.96 4.31 0.00 1.75 1.89 0.00 2.84 0.00 0.00 2.57 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.30 0.00 17 L 7.94 4.90 0.00 1.76 1.53 0.65 0.12 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 18 S 9.09 4.79 0.00 3.89 3.64 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 19 I 8.40 4.89 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.14 0.97 0.00 0.00 20 N 8.94 5.29 0.00 2.82 2.65 0.00 0.00 6.58 7.33 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 21 P 0.00 4.73 0.00 2.11 2.04 0.00 3.57 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 2.00 2.09 0.00 22 R 8.67 4.66 0.00 1.80 1.89 0.00 3.06 0.00 0.00 3.94 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 23 P 0.00 4.50 0.00 2.25 2.06 0.00 3.85 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 24 P 0.00 4.55 0.00 2.47 2.27 0.00 3.71 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 2.08 1.96 0.00 25 V 8.30 3.65 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 1.00 0.00 0.00 0.96 0.00 0.00 26 E 8.40 3.94 0.00 1.98 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 0.00 2.33 2.43 0.00 27 R 7.93 4.67 0.00 1.92 1.94 0.00 3.08 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 28 I 7.53 4.95 1.90 0.00 0.00 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 1.35 0.78 0.96 0.00 0.00 29 N 8.98 5.11 0.00 2.78 2.65 0.00 0.00 6.50 7.10 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 30 G 9.52 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.88 5.08 1.19 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 32 T 8.53 4.85 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 1.15 0.00 0.00 33 V 8.89 4.78 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 1.16 0.00 0.00 1.15 0.00 0.00 34 D 9.20 4.95 0.00 2.63 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 35 V 8.72 4.69 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 0.76 0.00 0.00 0.94 0.00 0.00 36 R 9.48 5.08 0.00 2.08 1.84 0.00 3.18 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 37 L 8.78 4.44 0.00 1.82 1.57 1.01 1.41 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 38 G 8.80 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 39 N 8.33 5.38 0.00 2.84 2.71 0.00 0.00 6.70 6.52 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 40 K 7.47 5.08 0.00 1.54 1.57 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.42 7.81 41 F 9.44 5.42 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.22 5.16 0.00 1.60 1.60 0.00 2.96 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 43 T 8.69 5.22 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 1.54 0.00 0.00 44 F 9.05 5.02 0.00 3.02 3.13 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 45 R 9.67 4.63 0.00 1.56 1.86 0.00 3.19 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 46 G 8.74 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 0.00 0.00 0.00 47 H 8.17 4.32 0.00 3.29 3.49 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.61 4.17 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 1.12 0.00 0.00 49 A 7.86 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.57 4.31 1.48 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 0.00 0.00 51 F 7.15 4.81 0.00 3.13 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 52 I 8.34 4.21 1.93 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 1.30 0.71 0.94 0.00 0.00 53 D 8.55 4.73 0.00 2.89 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 54 L 8.12 4.08 0.00 1.70 1.59 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.47 3.75 0.00 4.00 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 56 G 8.97 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 57 P 0.00 4.37 0.00 2.38 2.08 0.00 3.61 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 2.12 2.19 0.00 58 K 8.61 4.11 0.00 1.81 1.88 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.50 7.81 59 D 7.99 4.56 0.00 2.95 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 60 E 7.92 4.33 0.00 2.12 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 0.00 2.37 2.30 0.00 61 V 7.62 3.61 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 0.87 0.00 0.00 0.98 0.00 0.00 62 S 7.77 4.26 0.00 4.15 4.12 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 63 A 8.39 4.04 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 64 A 7.61 4.72 1.33 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 65 L 7.25 4.77 0.00 1.80 2.04 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.30 4.39 0.00 2.79 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 67 R 8.01 4.06 0.00 1.81 1.93 0.00 3.21 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 68 V 7.63 4.11 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 1.01 0.00 0.00 1.00 0.00 0.00 69 M 7.30 4.57 0.00 1.72 2.03 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 70 S 8.83 4.36 0.00 3.84 4.01 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 71 D 8.48 4.56 0.00 2.68 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 72 E 8.58 4.26 0.00 1.99 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 2.33 2.36 0.00 73 I 8.71 4.53 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 1.08 0.00 0.00 74 V 8.39 4.92 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 1.08 0.00 0.00 0.98 0.00 0.00 75 L 9.19 4.57 0.00 1.80 1.65 0.99 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 76 D 9.19 4.46 0.00 2.79 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 77 E 8.71 3.83 0.00 1.97 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 2.35 2.37 0.00 78 G 8.82 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 79 E 7.70 4.59 0.00 2.24 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 2.27 2.29 0.00 80 A 8.22 4.63 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.78 4.37 0.00 2.27 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 0.00 0.00 0.00 0.00 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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 0.00 124 A 7.88 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.63 4.68 0.00 3.00 3.23 0.00 5.61 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 0.00 126 R 7.84 4.70 0.00 1.76 1.75 0.00 3.22 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 127 I 8.74 4.07 1.81 0.00 0.00 0.54 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 0.57 0.73 0.00 0.00 128 D 8.42 4.99 0.00 2.62 2.76 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 0.00 129 P 0.00 4.91 0.00 2.36 2.38 0.00 3.91 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 2.17 2.01 0.00 130 G 8.77 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 0.00 0.00 0.00 0.00 131 W 8.20 4.07 0.00 3.07 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 0.00 132 S 7.12 4.35 0.00 3.61 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 0.00 133 G 7.81 3.90 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 0.00 0.00 0.00 134 C 8.13 4.72 0.00 3.05 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 0.00 135 I 8.39 4.30 1.80 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 0.83 0.79 0.68 0.00 0.00 136 V 8.38 3.94 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 0.73 0.00 0.00 0.92 0.00 0.00 137 L 9.20 4.60 0.00 1.05 0.78 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.32 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 139 F 9.04 5.57 0.00 3.09 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 0.00 140 Y 8.99 5.30 0.00 3.08 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 0.00 141 N 8.41 4.81 0.00 2.75 2.64 0.00 0.00 6.37 6.94 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 0.00 142 S 8.81 4.58 0.00 4.04 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 0.00 143 G 8.31 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 0.00 0.00 0.00 144 K 8.60 4.07 0.00 1.75 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.40 7.81 145 L 7.42 4.59 0.00 1.60 1.58 0.91 1.01 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 0.00 146 P 0.00 4.67 0.00 1.95 1.84 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 147 L 8.60 4.77 0.00 1.51 1.47 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.67 4.42 1.02 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 0.00 0.00 149 L 8.56 4.67 0.00 1.60 1.58 0.65 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.35 4.90 0.00 1.72 1.79 0.00 3.13 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 151 P 0.00 4.68 0.00 2.10 2.21 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.42 0.00 152 G 8.86 4.12 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 0.00 0.00 0.00 153 M 7.94 4.33 0.00 2.21 2.21 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 2.58 2.65 0.00 154 L 8.38 4.60 0.00 1.56 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.61 4.46 1.93 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 1.46 0.96 1.06 0.00 0.00 156 G 7.49 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 0.00 157 A 8.72 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.97 4.86 0.00 1.65 1.13 1.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 159 S 8.57 4.86 0.00 3.83 3.77 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 0.00 160 F 8.28 5.23 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 161 E 9.15 4.77 0.00 1.93 1.71 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 2.17 2.23 0.00 162 P 0.00 4.78 0.00 2.04 2.12 0.00 3.77 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 163 L 8.61 4.59 0.00 1.87 1.64 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.88 4.10 0.00 4.00 4.01 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 0.00 165 G 6.99 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 0.00 166 P 0.00 4.47 0.00 2.22 2.11 0.00 3.80 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 2.01 1.98 0.00 167 A 8.97 4.16 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 0.00 168 V 8.40 3.82 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.54 4.59 0.00 1.81 1.82 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 170 P 0.00 4.66 0.00 2.31 2.17 0.00 3.86 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 2.03 2.00 0.00 171 Y 8.97 4.09 0.00 3.17 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 * Residues marked with a * may have inaccurate shift predictions.