NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4390 8.3349 115.4131 58.0693 65.2058 173.8484 3 T 4.1631 7.7704 117.4839 60.9026 69.3422 172.4464 4 T 4.5874 8.4304 115.3202 59.6445 72.1211 173.1319 5 L 4.5779 8.1690 124.0155 52.8555 44.1558 175.9065 6 A 4.2914 8.4495 128.3652 52.1185 19.6518 175.7621 7 I 4.9919 8.1870 120.8869 59.3828 41.6979 174.0637 8 V 4.3228 8.8201 129.1107 61.1986 33.8537 174.8161 9 R 4.7128 8.6369 127.4011 55.4381 29.1742 176.1771 10 L 4.0752 8.8893 125.8781 56.5911 42.4590 176.9093 11 D 4.7200 8.0013 118.9728 51.5818 41.1615 174.6146 12 P 4.3105 0.0000 0.0000 64.7986 31.6487 177.3552 13 G 3.9255 8.0779 107.3444 45.3681 0.0000 173.2581 14 L 4.5604 7.0644 118.9043 51.6521 44.1283 174.8877 15 P 4.3263 0.0000 0.0000 61.8405 31.9569 176.2949 16 L 4.1331 8.1946 122.6084 54.3162 42.6223 175.0311 17 P 4.7984 0.0000 0.0000 63.7008 32.1559 175.3299 18 S 4.7231 8.3971 115.8645 56.7994 67.2688 172.3953 19 R 4.6244 8.4601 120.8000 55.5391 29.7921 176.2573 20 A 4.0927 8.7749 129.8111 55.0095 19.0645 176.7794 21 H 4.9722 8.2344 110.6959 53.8604 33.0990 172.6722 22 D 4.6139 8.5423 121.6483 55.9542 41.0290 177.5590 23 G 3.9961 8.8736 111.0512 45.5113 0.0000 173.5939 24 D 4.4685 7.8441 119.5754 54.0412 41.3713 176.6602 25 A 4.0901 8.7117 125.9408 54.1901 18.7830 177.8501 26 G 4.2567 7.7845 100.9409 44.5924 0.0000 173.3251 27 V 4.6260 8.3066 114.4881 59.6047 33.9502 175.1589 28 D 4.9235 8.3510 125.0840 54.0048 41.5916 176.0660 29 L 4.3913 8.6880 123.9466 54.2026 43.4969 175.7951 30 Y 4.9103 8.4321 120.2968 57.1800 40.1721 174.4709 31 S 4.9424 9.1199 117.8864 58.1601 63.3860 174.5084 32 A 4.5086 9.0456 128.6124 53.1067 18.8122 176.5787 33 E 4.7904 8.1406 112.2117 54.6446 33.2719 174.5801 34 D 5.1437 8.6035 119.9824 53.3292 42.5675 176.3246 35 V 4.5270 8.7274 121.6049 61.4218 35.6404 172.6620 36 E 5.0059 8.8207 127.3393 54.3487 32.0747 174.6257 37 L 4.7464 8.9268 127.1933 52.7618 44.0631 176.2442 38 A 4.4983 8.5554 125.8464 50.5518 20.1209 174.6853 39 P 4.2828 0.0000 0.0000 64.5139 31.6350 177.6055 40 G 3.9270 8.8430 110.5911 45.7546 0.0000 173.6244 41 R 4.6557 7.8336 119.3032 55.1340 32.2084 175.4886 42 R 5.2687 8.3642 115.9090 54.7532 32.8803 174.1712 43 A 4.6897 9.0051 120.4757 50.4969 23.3062 175.0753 44 L 4.7401 8.5174 122.2858 53.7551 43.3105 175.6427 45 V 4.5692 8.7245 127.8073 61.0465 33.7189 175.1502 46 R 4.5703 9.5379 128.1558 56.6577 30.8055 177.2050 47 T 4.9679 8.0004 112.3061 60.3151 69.9234 175.9046 48 G 3.9847 9.1074 111.3733 45.7885 0.0000 173.1530 49 V 5.1237 7.5789 111.5907 59.3285 36.2489 174.4202 50 A 5.1468 8.8583 123.4305 50.4266 22.3960 175.5741 51 V 4.9119 8.4851 112.2183 59.7108 36.1287 175.7876 52 A 4.6608 8.3368 124.3770 49.5503 18.8454 174.9632 53 V 3.6397 8.0296 119.9960 62.0058 32.6735 174.1216 54 P 4.5476 0.0000 0.0000 62.0462 31.9289 175.5507 55 F 4.4553 8.7537 123.8135 60.3089 39.7374 175.5423 56 G 3.6111 8.8097 115.5752 45.2070 0.0000 172.0761 57 M 5.2017 7.6692 117.8041 53.2991 36.0103 174.7307 58 V 4.5366 8.5271 118.1503 60.2960 35.2294 174.5929 59 G 4.4244 9.0230 110.7454 45.2186 0.0000 172.5277 60 L 5.3574 9.0544 123.0648 52.7262 45.7855 175.5782 61 V 4.6109 8.8866 124.7378 61.9481 32.9264 174.2587 62 H 5.3306 9.1372 125.4783 53.2392 32.0279 172.2619 63 P 4.7260 0.0000 0.0000 62.4380 32.3053 176.3589 64 R 4.2583 8.4356 121.5577 55.5838 31.2425 178.1324 65 S 4.2422 8.8147 117.9053 61.3489 62.9137 176.9776 66 G 3.5979 8.0090 108.7748 47.8281 0.0000 175.6184 67 L 3.9976 7.8899 121.4679 56.8422 41.5335 179.3713 68 A 4.5075 7.7195 122.2400 54.9975 18.1412 179.6197 69 T 3.8505 7.7894 110.3059 65.2007 67.5631 176.4031 70 R 4.1155 8.1596 119.9586 58.5166 30.2707 177.1622 71 V 4.2901 7.5988 107.7461 60.1099 33.5215 175.8930 72 G 3.8093 8.1162 108.6671 45.9825 0.0000 172.7945 73 L 4.5288 7.7474 122.2032 54.8027 43.3769 175.7052 74 S 5.1246 9.1815 120.2164 56.9151 67.0800 171.8018 75 I 4.8693 7.9817 120.1769 59.3905 39.6051 177.2048 76 V 3.5456 8.9707 128.3201 65.5993 31.4835 176.5830 77 N 4.8721 7.8162 114.3955 52.3674 37.6360 174.6560 78 S 4.2300 7.5554 113.8778 58.4286 62.9339 171.6752 79 P 4.6115 0.0000 0.0000 62.1652 32.2596 176.0955 80 G 3.7190 8.9637 111.9748 46.5563 0.0000 172.3046 81 T 4.8977 8.4403 121.5650 62.0889 70.1552 174.1982 82 I 4.2190 8.6914 128.9590 59.6169 38.8864 175.5104 83 D 4.7993 8.5406 127.1337 53.2977 41.7520 177.6702 84 A 4.5218 8.1815 124.0715 54.6932 18.4447 179.1432 85 G 3.8367 8.0679 102.2852 46.6997 0.0000 172.9875 86 Y 4.4929 7.8341 122.0667 57.2691 39.3882 175.0138 87 R 4.3681 7.8215 123.2689 55.5338 31.9230 175.5078 88 G 3.5109 5.5691 107.8597 43.8564 0.0000 173.0941 89 E 4.3003 8.3250 119.8816 55.7745 30.3110 176.1028 90 I 4.2052 8.7518 127.1988 61.3174 38.1481 175.1557 91 K 5.0050 8.7474 125.7025 54.4875 35.6515 175.5251 92 V 4.2801 8.8648 123.2209 61.0653 34.1600 175.1737 93 A 4.7934 8.3886 131.2677 50.6526 17.3930 175.8096 94 L 4.6014 8.3662 121.8520 54.3839 43.5738 176.3341 95 I 4.9481 8.6904 121.7168 59.4627 42.1961 173.6100 96 N 4.9098 8.9351 128.0424 52.6704 39.1752 174.8432 97 L 4.5306 8.6764 126.1209 54.8391 42.4056 177.1567 98 D 4.4923 8.3912 119.9685 53.4240 41.6632 174.6959 99 P 4.4256 0.0000 0.0000 64.5257 31.8189 177.1071 100 A 4.3965 8.1641 117.0729 52.4314 21.6242 175.8119 101 A 4.6055 8.4814 118.9386 49.8551 20.2456 175.2378 102 P 4.6850 0.0000 0.0000 62.7286 32.6426 175.7505 103 I 4.4928 8.6792 122.8200 59.5963 39.9016 174.7179 104 V 4.6427 8.3540 126.4195 61.2002 33.1887 174.8065 105 V 4.5660 8.6962 127.6494 61.4249 34.4275 173.7894 106 H 5.4570 9.3732 124.7009 53.4189 31.8657 173.8853 107 R 4.0774 9.0531 121.5416 58.5612 30.0603 176.7124 108 G 4.1010 9.1333 114.2028 45.3062 0.0000 173.5051 109 D 4.5602 8.1106 120.1703 54.1131 41.4732 175.7819 110 R 4.5609 8.4106 121.9493 55.2417 30.2043 176.3925 111 I 4.2484 7.9086 115.8855 60.2109 38.7037 174.5435 112 A 4.5346 7.0270 121.8753 51.7473 22.5048 174.7644 113 Q 4.8737 8.8911 116.6183 54.4697 32.5518 173.9446 114 L 5.0788 8.9950 123.8173 53.5557 44.2865 175.1036 115 L 4.9522 8.7720 126.3950 53.0889 44.5720 175.5032 116 V 4.9156 8.2241 120.8195 61.3851 34.0111 174.6452 117 Q 4.7133 8.8649 125.1236 53.8417 33.4030 174.9037 118 R 4.5701 8.6497 120.2823 56.5023 30.8847 176.4594 119 V 4.4977 8.2411 120.7949 59.9268 34.6511 175.1346 120 E 4.2728 8.6764 122.3375 55.5728 29.9984 177.6385 121 L 4.3614 8.0570 127.8757 53.2468 40.3342 177.2423 122 V 3.6499 7.3796 113.1478 61.1970 32.6305 176.0843 123 E 4.3733 8.4693 124.3365 54.5001 29.5570 175.8370 124 L 4.1477 8.3793 127.2321 54.5972 42.3398 176.9233 125 V 4.3070 8.0898 121.9887 60.5968 33.7122 174.6332 126 E 4.0747 8.8377 128.6545 56.1921 30.0978 175.9401 127 V 4.5616 7.8798 118.1142 59.2007 35.4494 175.8991 128 S 4.2026 8.5736 115.9849 61.1713 63.0916 174.2220 129 S 4.2867 7.0764 112.5972 55.9967 65.0699 176.0401 130 F 4.7290 8.2486 119.5481 60.5054 38.5365 177.7808 131 D 4.4019 8.1668 118.2926 57.5767 40.5281 178.4291 132 E 4.0458 8.0427 117.5661 58.3823 29.6650 177.5316 133 A 4.5578 7.5428 117.6243 51.2007 19.0567 177.2746 134 G 3.9013 7.8565 105.2010 46.7621 0.0000 174.7674 135 L 4.5548 8.3661 117.5617 54.1440 42.8815 177.5407 136 A 4.2077 8.0683 120.6934 52.2886 18.5207 177.3200 137 S 4.5780 7.4124 111.9251 57.2345 61.8269 173.0748 138 T 4.6791 7.7929 116.7346 59.8262 71.4850 175.0441 139 S 4.3139 8.6565 116.3778 60.6989 63.7031 175.1565 140 R 4.3658 7.7424 119.3713 57.2606 32.4205 176.4473 141 G 3.9676 7.1269 104.1554 47.2339 0.0000 174.9223 142 D 4.8887 8.7092 118.7820 54.0228 41.0803 176.3514 143 G 4.0593 8.7413 105.9551 42.4007 0.0000 172.0054 144 G 3.5259 8.8881 117.1209 45.3008 0.0000 173.1679 *145 H 4.5119 8.3876 121.9911 54.7889 28.6895 169.5913 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 S 8.33 4.44 0.00 4.00 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 3 T 7.77 4.16 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 4 T 8.43 4.59 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 5 L 8.17 4.58 0.00 1.57 1.58 0.98 1.04 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 6 A 8.45 4.29 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 7 I 8.19 4.99 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.93 0.00 0.00 8 V 8.82 4.32 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 0.91 0.00 0.00 0.92 0.00 0.00 9 R 8.64 4.71 0.00 1.73 2.06 0.00 3.33 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 10 L 8.89 4.08 0.00 1.63 1.73 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.00 4.72 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 12 P 0.00 4.31 0.00 2.20 2.15 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 13 G 8.08 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 14 L 7.06 4.56 0.00 1.52 1.26 0.99 0.89 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 15 P 0.00 4.33 0.00 1.84 1.86 0.00 2.43 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.77 0.00 16 L 8.19 4.13 0.00 1.60 1.61 0.94 0.96 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 17 P 0.00 4.80 0.00 2.02 2.17 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 18 S 8.40 4.72 0.00 3.85 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 19 R 8.46 4.62 0.00 1.85 1.88 0.00 3.24 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 20 A 8.77 4.09 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 21 H 8.23 4.97 0.00 3.32 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.54 4.61 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 23 G 8.87 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 0.00 0.00 0.00 24 D 7.84 4.47 0.00 2.82 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 25 A 8.71 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 26 G 7.78 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 0.00 0.00 0.00 0.00 27 V 8.31 4.63 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 0.68 0.00 0.00 0.93 0.00 0.00 28 D 8.35 4.92 0.00 2.37 2.33 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 29 L 8.69 4.39 0.00 1.54 1.57 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.43 4.91 0.00 3.01 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 31 S 9.12 4.94 0.00 3.92 3.78 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 32 A 9.05 4.51 1.31 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 0.00 0.00 0.00 33 E 8.14 4.79 0.00 1.97 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 2.22 2.29 0.00 34 D 8.60 5.14 0.00 2.62 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.73 4.53 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 0.96 0.00 0.00 0.94 0.00 0.00 36 E 8.82 5.01 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 37 L 8.93 4.75 0.00 1.57 1.55 0.92 0.66 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 38 A 8.56 4.50 1.24 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 0.00 0.00 39 P 0.00 4.28 0.00 2.04 2.20 0.00 3.76 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 2.08 2.17 0.00 40 G 8.84 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 41 R 7.83 4.66 0.00 1.86 1.84 0.00 3.23 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 42 R 8.36 5.27 0.00 1.92 1.85 0.00 3.01 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 1.47 1.59 0.00 43 A 9.01 4.69 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 44 L 8.52 4.74 0.00 1.64 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.72 4.57 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 0.95 0.00 0.00 0.94 0.00 0.00 46 R 9.54 4.57 0.00 1.87 2.08 0.00 3.27 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 47 T 8.00 4.97 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 48 G 9.11 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 0.00 0.00 0.00 49 V 7.58 5.12 2.12 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 0.78 0.00 0.00 0.99 0.00 0.00 50 A 8.86 5.15 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 51 V 8.49 4.91 2.12 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 0.78 0.00 0.00 1.00 0.00 0.00 52 A 8.34 4.66 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 53 V 8.03 3.64 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 1.05 0.00 0.00 0.98 0.00 0.00 54 P 0.00 4.55 0.00 2.25 2.00 0.00 3.69 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 2.13 2.10 0.00 55 F 8.75 4.46 0.00 2.87 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 56 G 8.81 3.61 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 0.00 0.00 0.00 57 M 7.67 5.20 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 58 V 8.53 4.54 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 0.77 0.00 0.00 0.97 0.00 0.00 59 G 9.02 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 0.00 0.00 0.00 0.00 60 L 9.05 5.36 0.00 1.51 1.63 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.89 4.61 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 0.96 0.00 0.00 0.93 0.00 0.00 62 H 9.14 5.33 0.00 3.02 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.73 0.00 1.93 1.97 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 64 R 8.44 4.26 0.00 1.85 1.82 0.00 3.06 0.00 0.00 3.48 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 65 S 8.81 4.24 0.00 4.04 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 66 G 8.01 3.60 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 0.00 0.00 0.00 67 L 7.89 4.00 0.00 1.69 1.72 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.72 4.51 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 69 T 7.79 3.85 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 1.31 0.00 0.00 70 R 8.16 4.12 0.00 1.83 2.05 0.00 3.25 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 71 V 7.60 4.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 72 G 8.12 3.81 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 0.00 0.00 0.00 73 L 7.75 4.53 0.00 1.78 1.55 0.97 0.58 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 74 S 9.18 5.12 0.00 3.86 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 75 I 7.98 4.87 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 0.93 0.00 0.00 76 V 8.97 3.55 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 0.77 0.00 0.00 0.95 0.00 0.00 77 N 7.82 4.87 0.00 2.83 2.85 0.00 0.00 5.95 7.64 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 78 S 7.56 4.23 0.00 3.89 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 79 P 0.00 4.61 0.00 2.10 1.88 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 80 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 81 T 8.44 4.90 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 1.19 0.00 0.00 82 I 8.69 4.22 1.89 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 1.35 1.00 1.01 0.00 0.00 83 D 8.54 4.80 0.00 2.76 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 84 A 8.18 4.52 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 85 G 8.07 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 86 Y 7.83 4.49 0.00 2.88 3.03 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 87 R 7.82 4.37 0.00 1.62 1.73 0.00 3.38 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 88 G 5.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.30 0.00 1.96 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 2.35 2.56 0.00 90 I 8.75 4.21 1.94 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 1.37 1.34 0.95 0.00 0.00 91 K 8.75 5.01 0.00 1.62 1.70 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.63 7.81 92 V 8.86 4.28 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 0.93 0.00 0.00 0.94 0.00 0.00 93 A 8.39 4.79 1.31 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 0.00 0.00 0.00 94 L 8.37 4.60 0.00 1.57 1.60 0.92 0.88 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 95 I 8.69 4.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.90 0.90 0.00 0.00 96 N 8.94 4.91 0.00 2.82 2.84 0.00 0.00 7.05 6.04 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 97 L 8.68 4.53 0.00 1.68 1.68 0.91 0.94 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 98 D 8.39 4.49 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 99 P 0.00 4.43 0.00 2.08 2.09 0.00 3.67 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 2.02 2.07 0.00 100 A 8.16 4.40 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 0.00 101 A 8.48 4.61 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 0.00 102 P 0.00 4.68 0.00 1.94 1.99 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 103 I 8.68 4.49 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.90 0.00 0.00 104 V 8.35 4.64 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 0.56 0.00 0.00 0.91 0.00 0.00 105 V 8.70 4.57 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 0.94 0.00 0.00 0.92 0.00 0.00 106 H 9.37 5.46 0.00 3.12 3.16 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 9.05 4.08 0.00 1.74 1.92 0.00 3.34 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 108 G 9.13 4.10 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 0.00 0.00 0.00 109 D 8.11 4.56 0.00 2.87 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 0.00 110 R 8.41 4.56 0.00 1.68 1.67 0.00 2.94 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.28 0.00 111 I 7.91 4.25 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 0.92 0.00 0.00 112 A 7.03 4.53 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 0.00 113 Q 8.89 4.87 0.00 2.10 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 114 L 8.99 5.08 0.00 1.72 1.54 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.77 4.95 0.00 1.54 1.47 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.22 4.92 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 0.82 0.00 0.00 0.94 0.00 0.00 117 Q 8.86 4.71 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 118 R 8.65 4.57 0.00 1.67 1.82 0.00 3.12 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 119 V 8.24 4.50 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 0.71 0.00 0.00 0.91 0.00 0.00 120 E 8.68 4.27 0.00 1.95 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 0.00 2.24 2.24 0.00 121 L 8.06 4.36 0.00 1.56 1.62 0.58 0.97 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 0.00 122 V 7.38 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 0.66 0.00 0.00 0.94 0.00 0.00 123 E 8.47 4.37 0.00 1.92 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 2.25 2.39 0.00 124 L 8.38 4.15 0.00 1.67 1.61 0.94 0.90 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 0.00 125 V 8.09 4.31 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 1.00 0.00 0.00 126 E 8.84 4.07 0.00 1.96 1.82 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 2.25 2.29 0.00 127 V 7.88 4.56 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 0.90 0.00 0.00 0.74 0.00 0.00 128 S 8.57 4.20 0.00 3.93 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 0.00 129 S 7.08 4.29 0.00 3.90 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 0.00 130 F 8.25 4.73 0.00 3.16 3.07 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 0.00 131 D 8.17 4.40 0.00 2.71 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 0.00 132 E 8.04 4.05 0.00 1.97 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 2.31 2.37 0.00 133 A 7.54 4.56 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 0.00 134 G 7.86 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 0.00 135 L 8.37 4.55 0.00 2.00 1.51 1.05 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.07 4.21 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 0.00 137 S 7.41 4.58 0.00 3.94 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 0.00 138 T 7.79 4.68 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 1.19 0.00 0.00 139 S 8.66 4.31 0.00 3.98 4.03 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 0.00 140 R 7.74 4.37 0.00 2.04 1.95 0.00 3.20 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 141 G 7.13 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 0.00 0.00 0.00 142 D 8.71 4.89 0.00 2.68 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 0.00 143 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 0.00 144 G 8.89 3.53 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 0.00 *145 H 8.39 4.51 0.00 2.69 2.89 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.